#------------------------------------------------------------------------------ #$Date: 2019-01-16 01:03:25 +0200 (Wed, 16 Jan 2019) $ #$Revision: 213084 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/12/28/7122842.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7122842 loop_ _publ_author_name 'Gauld, Richard M.' 'Kennedy, Alan R.' 'McLellan, Ross' 'Barker, Jim' 'Reid, Jacqueline' 'Mulvey, Robert E.' _publ_section_title ; Diverse outcomes of CO2 fixation using alkali metal amides including formation of a heterobimetallic lithium--sodium carbamato-anhydride via lithium--sodium bis-hexamethyldisilazide ; _journal_name_full 'Chemical Communications' _journal_paper_doi 10.1039/C8CC08308H _journal_year 2019 _chemical_formula_moiety 'C98 H198 Li12 N14 O28' _chemical_formula_sum 'C98 H198 Li12 N14 O28' _chemical_formula_weight 2104.02 _chemical_properties_physical Air-sensitive,Moisture-sensitive,Oxygen-sensitive _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_primary iterative _audit_creation_date 2018-06-04 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2018-10-12 deposited with the CCDC. 2018-12-26 downloaded from the CCDC. ; _cell_angle_alpha 110.729(4) _cell_angle_beta 95.790(3) _cell_angle_gamma 98.130(4) _cell_formula_units_Z 1 _cell_length_a 14.8500(7) _cell_length_b 15.5422(6) _cell_length_c 17.5104(7) _cell_measurement_reflns_used 10007 _cell_measurement_temperature 153(2) _cell_measurement_theta_max 72.4360 _cell_measurement_theta_min 4.3790 _cell_volume 3691.8(3) _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine (Bourhis et al., 2015)' _computing_structure_solution 'olex2.solve (Bourhis et al., 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 153(2) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 16.0268 _diffrn_detector_type Sapphire3 _diffrn_measured_fraction_theta_full 0.9703 _diffrn_measured_fraction_theta_max 0.9703 _diffrn_measurement_details ; #__ type_ start__ end____ width___ exp.time_ 1 omega -30.00 70.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 0.0000 77.0000 30.0000 100 #__ type_ start__ end____ width___ exp.time_ 2 omega -69.00 21.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 0.0000 -57.0000 -90.0000 90 #__ type_ start__ end____ width___ exp.time_ 3 omega 35.00 125.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 56.0000 57.0000 120.0000 90 #__ type_ start__ end____ width___ exp.time_ 4 omega -4.00 98.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 56.0000 -99.0000 60.0000 102 #__ type_ start__ end____ width___ exp.time_ 5 omega -17.00 100.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 56.0000 -19.0000 -60.0000 117 #__ type_ start__ end____ width___ exp.time_ 6 omega -13.00 77.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 56.0000 -57.0000 150.0000 90 #__ type_ start__ end____ width___ exp.time_ 7 omega -14.00 86.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 56.0000 -77.0000 -90.0000 100 #__ type_ start__ end____ width___ exp.time_ 8 omega 39.00 94.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 -25.0000 -30.0000 55 #__ type_ start__ end____ width___ exp.time_ 9 omega 40.00 150.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 -91.0000 0.0000 110 #__ type_ start__ end____ width___ exp.time_ 10 omega 44.00 134.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 -63.0000 -90.0000 90 #__ type_ start__ end____ width___ exp.time_ 11 omega 86.00 178.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 37.0000 90.0000 92 #__ type_ start__ end____ width___ exp.time_ 12 omega 56.00 150.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 179.0000 -30.0000 94 #__ type_ start__ end____ width___ exp.time_ 13 omega 40.00 116.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 -111.0000 -180.0000 76 #__ type_ start__ end____ width___ exp.time_ 14 omega 39.00 94.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 -25.0000 -120.0000 55 #__ type_ start__ end____ width___ exp.time_ 15 omega 100.00 178.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 111.0000 -60.0000 78 #__ type_ start__ end____ width___ exp.time_ 16 omega 90.00 178.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 50.0000 0.0000 88 #__ type_ start__ end____ width___ exp.time_ 17 omega 42.00 105.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 -50.0000 0.0000 63 #__ type_ start__ end____ width___ exp.time_ 18 omega 40.00 116.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 -111.0000 -60.0000 76 #__ type_ start__ end____ width___ exp.time_ 19 omega 39.00 94.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 -25.0000 -180.0000 55 #__ type_ start__ end____ width___ exp.time_ 20 omega 90.00 178.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 63.0000 120.0000 88 #__ type_ start__ end____ width___ exp.time_ 21 omega 100.00 178.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 112.0000 111.0000 -30.0000 78 #__ type_ start__ end____ width___ exp.time_ 22 omega -16.00 40.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 0.0000 86.0000 -108.0000 56 #__ type_ start__ end____ width___ exp.time_ 23 omega -73.00 44.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 0.0000 -19.0000 150.0000 117 #__ type_ start__ end____ width___ exp.time_ 24 omega 35.00 125.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 56.0000 57.0000 -60.0000 90 #__ type_ start__ end____ width___ exp.time_ 25 omega 26.00 126.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 56.0000 77.0000 -150.0000 100 #__ type_ start__ end____ width___ exp.time_ 26 omega 35.00 125.00 1.0000 6.2150 omega____ theta____ kappa____ phi______ frames - 56.0000 57.0000 30.0000 90 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'OD Gemini S' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 -0.0076117000 _diffrn_orient_matrix_UB_12 0.0203389000 _diffrn_orient_matrix_UB_13 -0.0801266000 _diffrn_orient_matrix_UB_21 0.0891462000 _diffrn_orient_matrix_UB_22 -0.0374668000 _diffrn_orient_matrix_UB_23 -0.0191443000 _diffrn_orient_matrix_UB_31 -0.0572433000 _diffrn_orient_matrix_UB_32 -0.0991824000 _diffrn_orient_matrix_UB_33 -0.0479987000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0892 _diffrn_reflns_av_unetI/netI 0.0799 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 34191 _diffrn_reflns_theta_full 73.5199 _diffrn_reflns_theta_max 73.52 _diffrn_reflns_theta_min 5.77 _diffrn_source 'sealed tube' _exptl_absorpt_coefficient_mu 0.540 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.15873 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 0.9463 _exptl_crystal_description plate _exptl_crystal_F_000 1147.6347 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.02 _refine_diff_density_max 0.7380 _refine_diff_density_min -0.5573 _refine_diff_density_rms 0.0787 _refine_ls_d_res_high 0.8039 _refine_ls_d_res_low 7.6726 _refine_ls_goodness_of_fit_ref 0.9886 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_constraints 197 _refine_ls_number_parameters 761 _refine_ls_number_reflns 14449 _refine_ls_number_restraints 139 _refine_ls_restrained_S_all 0.9836 _refine_ls_R_factor_all 0.1200 _refine_ls_R_factor_gt 0.0957 _refine_ls_shift/su_max 0.1444 _refine_ls_shift/su_mean 0.0019 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1892P)^2^+0.7468P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2719 _refine_ls_wR_factor_ref 0.3103 _reflns_Friedel_coverage 0.0 _reflns_limit_h_max 18 _reflns_limit_h_min -18 _reflns_limit_k_max 17 _reflns_limit_k_min -19 _reflns_limit_l_max 21 _reflns_limit_l_min 0 _reflns_number_gt 9486 _reflns_number_total 14449 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL CELL 1.54184 14.85 15.5422 17.5104 110.729 95.79 98.13 ZERR 1 0.0007 0.0006 0.0007 0.004 0.003 0.004 LATT 1 SFAC C H Li N O UNIT 98 198 12 14 28 DFIX 1.53 0.01 C3 C4 C3 C5 C3A C4A C3A C5A C30 C32 C30 C33 DFIX 1.53 0.01 C17 C18 C17 C19 C17A C18A C17A C19A DFIX 1.53 0.01 C31 C34 C31 C35 C31A C34A C31A C35A C30A C32A C30A C33A DFIX 1.47 0.01 C3 N1 C3A N1 N5 C30 N5 C31 N5 C30A N5 C31A N3 C17 DFIX 1.47 0.01 N3 C17A DELU N1 C3 C4 C5 DELU N5 C30 C31 C32 C33 C34 C35 SIMU 0.02 0.02 1.7 N1 C3 C4 C5 SIMU 0.02 0.02 1.7 N5 C30 C31 C32 C33 C34 C35 SIMU 0.02 0.02 1.7 N3 C17 C18 C19 ISOR N3 C17 C18 C19 EADP C3 C3A EADP C4 C4A EADP C5 C5A EADP C17 C17A EADP C18 C18A EADP C19 C19A EADP C30 C30A EADP C31 C31A EADP C32 C32A EADP C33 C33A EADP C34 C34A EADP C35 C35A L.S. 8 PLAN 20 TEMP -120 FMAP 2 ACTA BOND $H CONF LIST 4 MERG 2 SHEL 8 0.5 OMIT -3 135 WGHT 0.189173 0.746806 FVAR 37.37476 0.683936 0.695435 0.615947 REM REM REM Li1 3 0.48210 0.94588 0.90995 11.00000 0.03357 0.03769 0.03921 = 0.00593 0.00264 -0.00149 Li2 3 0.58785 0.99263 0.79168 11.00000 0.04495 0.03886 0.03646 = 0.01104 0.00635 -0.00030 Li3 3 0.62232 0.84921 0.82870 11.00000 0.05355 0.04068 0.04240 = 0.01298 0.00088 0.00771 Li4 3 0.42054 0.82615 0.74549 11.00000 0.05307 0.03546 0.03597 = 0.00892 0.00351 -0.00455 Li5 3 0.45891 0.81866 1.07108 11.00000 0.05863 0.06026 0.04582 = 0.01668 0.01275 -0.00776 Li6 3 0.60420 0.87922 1.01992 11.00000 0.05013 0.03758 0.03872 = 0.00941 0.01422 0.01070 O1 5 0.48121 0.77599 0.65028 11.00000 0.04527 0.05482 0.04735 = 0.01061 0.00528 -0.00507 O2 5 0.60827 0.87269 0.72442 11.00000 0.04626 0.03677 0.03912 = 0.00827 0.00499 0.00176 O3 5 0.29614 0.75906 0.68699 11.00000 0.04549 0.04527 0.04144 = 0.00443 0.00109 -0.00590 O4 5 0.32867 0.68008 0.56262 11.00000 0.04904 0.07510 0.04608 = -0.00092 0.00478 -0.01143 AFIX 147 H4 2 0.38169 0.71156 0.58498 11.00000 -1.50000 AFIX 0 O5 5 0.38574 0.89827 1.22518 11.00000 0.07426 0.04994 0.10454 = 0.04157 -0.01274 -0.01593 O6 5 0.37730 0.76563 1.11784 11.00000 0.06893 0.10314 0.05667 = 0.03789 0.02087 -0.00292 O7 5 0.48039 0.79455 0.96371 11.00000 0.04338 0.04072 0.03564 = 0.00981 0.00710 -0.00363 O8 5 0.48219 0.81109 0.84348 11.00000 0.04760 0.03112 0.03808 = 0.01389 0.00779 0.00114 O9 5 0.60061 1.00574 1.01312 11.00000 0.06961 0.03794 0.09435 = 0.03096 0.05254 0.01931 O10 5 0.64069 0.98610 0.89207 11.00000 0.11609 0.04203 0.04135 = 0.01411 -0.01959 -0.01070 O11 5 0.42318 1.10674 0.87218 11.00000 0.04948 0.03807 0.03341 = 0.01035 0.00368 0.00412 O12 5 0.44710 0.96425 0.80059 11.00000 0.04373 0.03295 0.03638 = 0.01114 0.00585 0.00408 O13 5 0.68997 0.82600 0.96403 11.00000 0.06537 0.04388 0.14813 = 0.01065 0.05530 0.01372 O14 5 0.71231 0.77542 0.83278 11.00000 0.07276 0.05755 0.09060 = 0.02748 -0.01338 0.00870 N1 4 0.61065 0.77995 0.59237 11.00000 0.06258 0.06292 0.04710 = 0.00814 0.02074 0.01465 N2 4 0.18210 0.66096 0.58289 11.00000 0.04073 0.05506 0.04636 = 0.00558 -0.00450 -0.00874 N3 4 0.30940 0.76243 1.22458 11.00000 0.07681 0.03879 0.05065 = 0.01940 0.02270 0.00000 N4 4 0.45844 0.66496 0.84711 11.00000 0.06346 0.02530 0.04241 = 0.01055 0.00370 -0.00093 N5 4 0.74181 1.07366 1.00432 11.00000 0.03642 0.04842 0.06804 = 0.02132 -0.00474 -0.00833 N6 4 0.37289 1.04345 0.73434 11.00000 0.05099 0.04142 0.03292 = 0.01243 0.00318 0.00583 N7 4 0.80088 0.74093 0.92597 11.00000 0.04891 0.05258 0.05690 = 0.01505 0.01216 0.02037 C1 1 0.56530 0.81013 0.65736 11.00000 0.04219 0.03891 0.03686 = 0.01071 0.00810 0.00592 C2 1 0.70536 0.81824 0.59533 11.00000 0.06186 0.10447 0.07930 = 0.04526 0.03650 0.02325 AFIX 13 H2 2 0.71709 0.78204 0.53862 11.00000 -1.20000 AFIX 0 PART 1 C3 1 0.55735 0.70074 0.51725 21.00000 0.07543 0.09745 0.05830 = -0.01721 0.03086 0.00588 AFIX 13 H3 2 0.49134 0.68623 0.52347 21.00000 -1.20000 AFIX 0 C4 1 0.60429 0.61434 0.50576 21.00000 0.13583 0.07013 0.09333 = -0.00112 0.02549 -0.00205 AFIX 137 H4a 2 0.66001 0.62157 0.48128 21.00000 -1.50000 H4b 2 0.62091 0.60997 0.55969 21.00000 -1.50000 H4c 2 0.56145 0.55717 0.46908 21.00000 -1.50000 AFIX 0 C5 1 0.56521 0.72016 0.43774 21.00000 0.12884 0.15322 0.05921 = 0.01003 -0.01686 0.03604 AFIX 137 H5a 2 0.57037 0.78747 0.45014 21.00000 -1.50000 H5b 2 0.62006 0.69965 0.41598 21.00000 -1.50000 H5c 2 0.51019 0.68575 0.39640 21.00000 -1.50000 AFIX 0 PART 0 C6 1 0.77276 0.79420 0.64941 11.00000 0.07335 0.13011 0.10278 = 0.03389 -0.00096 0.01965 AFIX 137 H6a 2 0.77730 0.83696 0.70693 11.00000 -1.50000 H6b 2 0.75220 0.72961 0.64497 11.00000 -1.50000 H6c 2 0.83329 0.80018 0.63205 11.00000 -1.50000 AFIX 0 C7 1 0.71898 0.91596 0.59815 11.00000 0.11943 0.09113 0.16950 = 0.06003 0.03257 -0.00670 AFIX 137 H7a 2 0.66405 0.92479 0.56793 11.00000 -1.50000 H7b 2 0.72921 0.95974 0.65587 11.00000 -1.50000 H7c 2 0.77268 0.92781 0.57252 11.00000 -1.50000 AFIX 0 C8 1 0.27052 0.70373 0.61535 11.00000 0.04418 0.04596 0.04418 = 0.01179 0.00294 -0.00336 C9 1 0.11148 0.68341 0.63653 11.00000 0.04408 0.06626 0.06334 = 0.00290 0.00313 -0.00108 AFIX 13 H9 2 0.14258 0.73493 0.68960 11.00000 -1.20000 AFIX 0 C10 1 0.15257 0.58926 0.49802 11.00000 0.05529 0.06534 0.04972 = 0.00404 -0.00770 -0.01380 AFIX 13 H10 2 0.08464 0.56787 0.49247 11.00000 -1.20000 AFIX 0 C11 1 0.07274 0.60122 0.65747 11.00000 0.06265 0.09085 0.08056 = 0.02656 0.01409 -0.01013 AFIX 137 H11a 2 0.04052 0.54966 0.60683 11.00000 -1.50000 H11b 2 0.12307 0.58072 0.68298 11.00000 -1.50000 H11c 2 0.02939 0.61974 0.69624 11.00000 -1.50000 AFIX 0 C12 1 0.03575 0.71967 0.59911 11.00000 0.05781 0.10330 0.13516 = 0.03291 0.00828 0.01942 AFIX 137 H12a 2 0.06341 0.76819 0.58034 11.00000 -1.50000 H12b 2 -0.00278 0.66793 0.55194 11.00000 -1.50000 H12c 2 -0.00229 0.74630 0.64087 11.00000 -1.50000 AFIX 0 C13 1 0.16515 0.62896 0.43203 11.00000 0.10203 0.11838 0.05813 = 0.02700 -0.01830 -0.01451 AFIX 137 H13a 2 0.14283 0.68823 0.44668 11.00000 -1.50000 H13b 2 0.23068 0.64008 0.42757 11.00000 -1.50000 H13c 2 0.13011 0.58442 0.37888 11.00000 -1.50000 AFIX 0 C14 1 0.19473 0.50329 0.48510 11.00000 0.08190 0.06119 0.07897 = -0.01204 -0.00655 -0.00696 AFIX 137 H14a 2 0.26108 0.51925 0.48554 11.00000 -1.50000 H14b 2 0.18462 0.48052 0.52966 11.00000 -1.50000 H14c 2 0.16585 0.45428 0.43172 11.00000 -1.50000 AFIX 0 C15 1 0.35903 0.81094 1.18828 11.00000 0.05587 0.05057 0.05626 = 0.02991 0.00162 -0.00643 C16 1 0.28374 0.66046 1.18946 11.00000 0.08897 0.04041 0.09558 = 0.02981 0.01806 -0.00361 AFIX 13 H16 2 0.25262 0.64516 1.23236 11.00000 -1.20000 AFIX 0 PART 1 C17 1 0.28656 0.80364 1.30758 41.00000 0.11434 0.06848 0.05668 = 0.02791 0.03818 0.01479 AFIX 13 H17 2 0.30650 0.87243 1.32175 41.00000 -1.20000 AFIX 0 C18 1 0.34603 0.78588 1.37335 41.00000 0.12476 0.09558 0.05284 = 0.02579 0.02155 0.00805 AFIX 137 H18a 2 0.33352 0.71887 1.36350 41.00000 -1.50000 H18b 2 0.41115 0.80561 1.37142 41.00000 -1.50000 H18c 2 0.33208 0.82160 1.42789 41.00000 -1.50000 AFIX 0 C19 1 0.18389 0.79321 1.30930 41.00000 0.11414 0.10359 0.08549 = 0.05666 0.05404 0.04265 AFIX 137 H19a 2 0.15354 0.80697 1.26375 41.00000 -1.50000 H19b 2 0.15866 0.72890 1.30312 41.00000 -1.50000 H19c 2 0.17303 0.83700 1.36213 41.00000 -1.50000 AFIX 0 PART 0 C20 1 0.21137 0.62370 1.11557 11.00000 0.09745 0.05552 0.09615 = 0.00789 0.00683 -0.01265 AFIX 137 H20a 2 0.15775 0.65310 1.12853 11.00000 -1.50000 H20b 2 0.23520 0.63791 1.07031 11.00000 -1.50000 H20c 2 0.19311 0.55569 1.09881 11.00000 -1.50000 AFIX 0 C21 1 0.36442 0.61139 1.18396 11.00000 0.10030 0.04666 0.16006 = 0.03668 0.01317 0.01369 AFIX 137 H21a 2 0.39887 0.62167 1.14209 11.00000 -1.50000 H21b 2 0.40486 0.63640 1.23779 11.00000 -1.50000 H21c 2 0.34218 0.54407 1.16842 11.00000 -1.50000 AFIX 0 C22 1 0.47357 0.75854 0.88539 11.00000 0.03588 0.03248 0.03414 = 0.00713 0.00580 -0.00312 C23 1 0.45409 0.60013 0.89136 11.00000 0.08231 0.03940 0.05693 = 0.01942 0.00778 -0.00269 AFIX 13 H23 2 0.45051 0.53667 0.84792 11.00000 -1.20000 AFIX 0 C24 1 0.45207 0.62196 0.75594 11.00000 0.07773 0.03701 0.03933 = 0.00309 0.00155 0.00008 AFIX 13 H24 2 0.45479 0.67439 0.73522 11.00000 -1.20000 AFIX 0 C25 1 0.36672 0.59335 0.92869 11.00000 0.09809 0.05305 0.07433 = 0.02666 0.01595 -0.01520 AFIX 137 H25a 2 0.37042 0.65021 0.97771 11.00000 -1.50000 H25b 2 0.31339 0.58682 0.88785 11.00000 -1.50000 H25c 2 0.35992 0.53863 0.94462 11.00000 -1.50000 AFIX 0 C26 1 0.54107 0.61637 0.95247 11.00000 0.09695 0.05110 0.07187 = 0.02923 -0.00451 0.00974 AFIX 137 H26a 2 0.59536 0.62737 0.92725 11.00000 -1.50000 H26b 2 0.54190 0.67115 1.00256 11.00000 -1.50000 H26c 2 0.54199 0.56107 0.96697 11.00000 -1.50000 AFIX 0 C27 1 0.53357 0.57658 0.73178 11.00000 0.08715 0.05811 0.06376 = 0.00113 0.01716 0.00628 AFIX 137 H27a 2 0.59078 0.62210 0.75928 11.00000 -1.50000 H27b 2 0.53219 0.52274 0.74870 11.00000 -1.50000 H27c 2 0.53071 0.55542 0.67165 11.00000 -1.50000 AFIX 0 C28 1 0.35960 0.55662 0.71540 11.00000 0.08028 0.05249 0.05467 = 0.00013 -0.00905 -0.00095 AFIX 137 H28a 2 0.35417 0.50345 0.73344 11.00000 -1.50000 H28b 2 0.30960 0.59075 0.73157 11.00000 -1.50000 H28c 2 0.35554 0.53363 0.65509 11.00000 -1.50000 AFIX 0 C29 1 0.65845 1.02115 0.97002 11.00000 0.03918 0.02633 0.03963 = 0.01148 0.00403 -0.00055 PART 1 C30 1 0.82389 1.08929 0.97265 31.00000 0.03205 0.05354 0.05842 = 0.01888 -0.00276 -0.01301 AFIX 13 H30 2 0.87233 1.13040 1.02065 31.00000 -1.20000 AFIX 0 C31 1 0.74907 1.12278 1.09998 31.00000 0.04507 0.05392 0.04476 = 0.00994 -0.00650 -0.01299 AFIX 13 H31 2 0.68575 1.11064 1.11334 31.00000 -1.20000 AFIX 0 C32 1 0.85649 0.99668 0.93324 31.00000 0.06180 0.05013 0.07305 = 0.01651 0.02713 0.00320 AFIX 137 H32a 2 0.85884 0.96456 0.97231 31.00000 -1.50000 H32b 2 0.81343 0.95689 0.88272 31.00000 -1.50000 H32c 2 0.91807 1.00929 0.91945 31.00000 -1.50000 AFIX 0 C33 1 0.81235 1.14127 0.91439 31.00000 0.05380 0.07344 0.06173 = 0.03032 -0.00033 -0.00832 AFIX 137 H33a 2 0.76422 1.10340 0.86705 31.00000 -1.50000 H33b 2 0.79470 1.20128 0.94382 31.00000 -1.50000 H33c 2 0.87069 1.15265 0.89472 31.00000 -1.50000 AFIX 0 C34 1 0.81033 1.08222 1.14682 31.00000 0.07520 0.06289 0.04639 = 0.01760 0.00195 0.00593 AFIX 137 H34a 2 0.87378 1.09490 1.13700 31.00000 -1.50000 H34b 2 0.80844 1.11103 1.20614 31.00000 -1.50000 H34c 2 0.78857 1.01437 1.12775 31.00000 -1.50000 AFIX 0 C35 1 0.77839 1.22832 1.12763 31.00000 0.06944 0.04407 0.06007 = 0.00455 0.00920 0.00143 AFIX 137 H35a 2 0.77694 1.25782 1.18697 31.00000 -1.50000 H35b 2 0.84111 1.24323 1.11699 31.00000 -1.50000 H35c 2 0.73604 1.25199 1.09678 31.00000 -1.50000 AFIX 0 PART 0 C36 1 0.41523 1.03825 0.80411 11.00000 0.04060 0.03343 0.03619 = 0.01289 0.00849 0.00304 C37 1 0.33553 1.12633 0.73494 11.00000 0.06562 0.04952 0.04820 = 0.02124 0.00413 0.01561 AFIX 13 H37 2 0.30823 1.11238 0.67628 11.00000 -1.20000 AFIX 0 C38 1 0.36905 0.96819 0.65257 11.00000 0.06674 0.04518 0.03284 = 0.00885 0.00150 0.00749 AFIX 13 H38 2 0.39424 0.91628 0.66300 11.00000 -1.20000 AFIX 0 C39 1 0.43102 1.00244 0.60087 11.00000 0.07928 0.08531 0.04349 = 0.01659 0.01344 0.00247 AFIX 137 H39a 2 0.40432 1.04830 0.58384 11.00000 -1.50000 H39b 2 0.49231 1.03187 0.63385 11.00000 -1.50000 H39c 2 0.43628 0.94921 0.55166 11.00000 -1.50000 AFIX 0 C40 1 0.27027 0.92803 0.60781 11.00000 0.07429 0.06731 0.04956 = 0.01001 -0.00433 -0.00582 AFIX 137 H40a 2 0.23307 0.90841 0.64403 11.00000 -1.50000 H40b 2 0.24457 0.97599 0.59332 11.00000 -1.50000 H40c 2 0.26959 0.87385 0.55728 11.00000 -1.50000 AFIX 0 C41 1 0.25673 1.14149 0.78404 11.00000 0.07106 0.07967 0.07546 = 0.03166 0.01534 0.03646 AFIX 137 H41a 2 0.20941 1.08423 0.76329 11.00000 -1.50000 H41b 2 0.27994 1.15676 0.84261 11.00000 -1.50000 H41c 2 0.22993 1.19327 0.77792 11.00000 -1.50000 AFIX 0 C42 1 0.41034 1.21448 0.76002 11.00000 0.08457 0.04758 0.07231 = 0.02849 0.00366 0.00850 AFIX 137 H42a 2 0.43185 1.23804 0.81982 11.00000 -1.50000 H42b 2 0.46217 1.19912 0.73056 11.00000 -1.50000 H42c 2 0.38484 1.26266 0.74573 11.00000 -1.50000 AFIX 0 C43 1 0.73008 0.78333 0.90798 11.00000 0.04256 0.03204 0.08295 = 0.01214 0.01204 0.00425 C44 1 0.82247 0.74448 1.00994 11.00000 0.09601 0.07710 0.07626 = 0.03214 -0.00339 0.00590 AFIX 13 H44 2 0.77487 0.77700 1.03860 11.00000 -1.20000 AFIX 0 C45 1 0.85859 0.69860 0.86629 11.00000 0.07046 0.06651 0.08440 = 0.01634 0.03255 0.02547 AFIX 13 H45 2 0.90240 0.67519 0.89795 11.00000 -1.20000 AFIX 0 C46 1 0.80997 0.61104 0.79500 11.00000 0.09416 0.06206 0.06922 = 0.00626 0.02166 0.02470 AFIX 137 H46a 2 0.77642 0.56775 0.81629 11.00000 -1.50000 H46b 2 0.76645 0.62740 0.75887 11.00000 -1.50000 H46c 2 0.85543 0.58102 0.76345 11.00000 -1.50000 AFIX 0 C47 1 0.92038 0.76662 0.84316 11.00000 0.07273 0.08910 0.09388 = 0.02948 0.03665 0.01201 AFIX 137 H47a 2 0.88473 0.78505 0.80326 11.00000 -1.50000 H47b 2 0.94699 0.82222 0.89277 11.00000 -1.50000 H47c 2 0.96999 0.73725 0.81825 11.00000 -1.50000 AFIX 0 C48 1 0.80640 0.65377 1.01933 11.00000 0.11802 0.09005 0.08122 = 0.04208 0.01338 0.01187 AFIX 137 H48a 2 0.74216 0.62242 0.99664 11.00000 -1.50000 H48b 2 0.84753 0.61464 0.98948 11.00000 -1.50000 H48c 2 0.81878 0.66359 1.07815 11.00000 -1.50000 AFIX 0 C49 1 0.91081 0.80786 1.05645 11.00000 0.08686 0.09940 0.08305 = 0.01565 -0.01453 0.00797 AFIX 137 H49a 2 0.96191 0.78477 1.02926 11.00000 -1.50000 H49b 2 0.90932 0.87113 1.05757 11.00000 -1.50000 H49c 2 0.91949 0.80951 1.11321 11.00000 -1.50000 AFIX 0 PART 2 C3A 1 0.58844 0.70568 0.51189 -21.00000 0.07543 0.09745 0.05830 = -0.01721 0.03086 0.00588 AFIX 13 H3A 2 0.64490 0.70020 0.48519 -21.00000 -1.20000 AFIX 0 C4A 1 0.55366 0.61509 0.52258 -21.00000 0.13583 0.07013 0.09333 = -0.00112 0.02549 -0.00205 AFIX 137 H4Aa 2 0.60608 0.58694 0.53361 -21.00000 -1.50000 H4Ab 2 0.51941 0.62788 0.56914 -21.00000 -1.50000 H4Ac 2 0.51294 0.57170 0.47191 -21.00000 -1.50000 AFIX 0 C5A 1 0.51560 0.72909 0.45967 -21.00000 0.12884 0.15322 0.05921 = 0.01003 -0.01686 0.03604 AFIX 137 H5Aa 2 0.46604 0.74777 0.49123 -21.00000 -1.50000 H5Ab 2 0.54322 0.78074 0.44462 -21.00000 -1.50000 H5Ac 2 0.49033 0.67394 0.40931 -21.00000 -1.50000 AFIX 0 C31A 1 0.80150 1.11726 1.07844 -31.00000 0.04507 0.05392 0.04476 = 0.00994 -0.00650 -0.01299 AFIX 13 H31A 2 0.86358 1.13900 1.06707 -31.00000 -1.20000 AFIX 0 C30A 1 0.79365 1.07058 0.92954 -31.00000 0.03205 0.05354 0.05842 = 0.01888 -0.00276 -0.01301 AFIX 13 H30A 2 0.74552 1.04332 0.87878 -31.00000 -1.20000 AFIX 0 C32A 1 0.86785 1.01107 0.91316 -31.00000 0.06180 0.05013 0.07305 = 0.01651 0.02713 0.00320 AFIX 137 H32d 2 0.89466 1.01528 0.86541 -31.00000 -1.50000 H32e 2 0.91619 1.03395 0.96194 -31.00000 -1.50000 H32f 2 0.84049 0.94566 0.90159 -31.00000 -1.50000 AFIX 0 C33A 1 0.83627 1.16837 0.93439 -31.00000 0.05380 0.07344 0.06173 = 0.03032 -0.00033 -0.00832 AFIX 137 H33d 2 0.88820 1.19590 0.98022 -31.00000 -1.50000 H33e 2 0.85816 1.16359 0.88235 -31.00000 -1.50000 H33f 2 0.78972 1.20823 0.94372 -31.00000 -1.50000 AFIX 0 C34A 1 0.81031 1.04885 1.12225 -31.00000 0.07520 0.06289 0.04639 = 0.01760 0.00195 0.00593 AFIX 137 H34d 2 0.83250 0.99456 1.08636 -31.00000 -1.50000 H34e 2 0.85413 1.08012 1.17399 -31.00000 -1.50000 H34f 2 0.74996 1.02797 1.13449 -31.00000 -1.50000 AFIX 0 C35A 1 0.75976 1.20276 1.12139 -31.00000 0.06944 0.04407 0.06007 = 0.00455 0.00920 0.00143 AFIX 137 H35d 2 0.76101 1.24262 1.08875 -31.00000 -1.50000 H35e 2 0.69586 1.18213 1.12630 -31.00000 -1.50000 H35f 2 0.79563 1.23837 1.17668 -31.00000 -1.50000 AFIX 0 C17A 1 0.27991 0.82472 1.29762 -41.00000 0.11434 0.06848 0.05668 = 0.02791 0.03818 0.01479 AFIX 13 H17A 2 0.30528 0.88779 1.29749 -41.00000 -1.20000 AFIX 0 C19A 1 0.17819 0.82559 1.29191 -41.00000 0.11414 0.10359 0.08549 = 0.05666 0.05404 0.04265 AFIX 137 H19d 2 0.16410 0.87347 1.27065 -41.00000 -1.50000 H19e 2 0.14347 0.76401 1.25440 -41.00000 -1.50000 H19f 2 0.16081 0.83987 1.34697 -41.00000 -1.50000 AFIX 0 C18A 1 0.33139 0.82826 1.37751 -41.00000 0.12476 0.09558 0.05284 = 0.02579 0.02155 0.00805 AFIX 137 H18d 2 0.39787 0.84134 1.37729 -41.00000 -1.50000 H18e 2 0.31541 0.87788 1.42401 -41.00000 -1.50000 H18f 2 0.31445 0.76785 1.38328 -41.00000 -1.50000 AFIX 0 HKLF 4 END Q1 1 0.708333 0.82 1.016667 11 0.05 0.74 Q2 1 0.666667 0.78 0.866667 11 0.05 0.67 Q3 1 0.6875 0.82 0.95 11 0.05 0.64 Q4 1 0.604167 0.96 0.916667 11 0.05 0.64 Q5 1 0.395833 0.84 1.15 11 0.05 0.61 Q6 1 0.583333 0.84 0.75 11 0.05 0.58 Q7 1 0.604167 1 1 11 0.05 0.52 Q8 1 0.875 0.72 0.983333 11 0.05 0.51 Q9 1 0.604167 0.98 1.05 11 0.05 0.49 Q10 1 0.458333 0.98 0.766667 11 0.05 0.48 Q11 1 0.791667 1.1 1.05 11 0.05 0.47 Q12 1 0.520833 0.7 0.45 11 0.05 0.47 Q13 1 0.416667 1.08 0.916667 11 0.05 0.45 Q14 1 0.729167 0.88 0.533333 11 0.05 0.45 Q15 1 0.458333 0.78 1 11 0.05 0.45 Q16 1 0.541667 0.62 0.5 11 0.05 0.45 Q17 1 0.3125 0.78 0.65 11 0.05 0.45 Q18 1 0.479167 0.8 0.916667 11 0.05 0.45 Q19 1 0.458333 0.96 0.85 11 0.05 0.44 Q20 1 0.354167 1.02 0.766667 11 0.05 0.44 REM The information below was added by Olex2. REM REM R1 = 0.0957 for 9486 Fo > 4sig(Fo) and 0.1200 for all 14449 data REM 761 parameters refined using 139 restraints REM Highest difference peak 0.7380, deepest hole -0.5573 REM Mean Shift 0.0019, Max Shift 0.1444. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.1200 REM R1_gt = 0.0957 REM wR_ref = 0.3103 REM GOOF = 0.9886 REM Shift_max = 0.1444 REM Shift_mean = 0.0019 REM Reflections_all = 14449 REM Reflections_gt = 9486 REM Parameters = 761 REM Hole = -0.5573 REM Peak = 0.7380 REM Flack = n/a ; _cod_data_source_file c8cc08308h2.cif _cod_data_source_block rmg2028 _cod_database_code 7122842 _reflns_odcompleteness_completeness 99.68 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 69.95 _olex2_refinement_description ; PLATON SQUEEZE used to remove traces of disordered solvent. Approx 102 electorn equivalents were removed from 818 cubic A of cell volume. 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups 2. Restrained distances C3-C4 = C3-C5 = C3A-C4A = C3A-C5A = C30-C32 = C30-C33 1.53 with sigma of 0.01 C17-C18 = C17-C19 = C17A-C18A = C17A-C19A 1.53 with sigma of 0.01 C31-C34 = C31-C35 = C31A-C34A = C31A-C35A = C30A-C32A = C30A-C33A 1.53 with sigma of 0.01 C3-N1 = C3A-N1 = N5-C30 = N5-C31 = N5-C30A = N5-C31A = N3-C17 1.47 with sigma of 0.01 N3-C17A 1.47 with sigma of 0.01 3. Rigid bond restraints N1, C3, C4, C5 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 N5, C30, C31, C32, C33, C34, C35 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 4. Uiso/Uaniso restraints and constraints N1 \\sim C3 \\sim C4 \\sim C5: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.02 N5 \\sim C30 \\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.02 N3 \\sim C17 \\sim C18 \\sim C19: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.02 Uanis(N3) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2 Uanis(C3) = Uanis(C3A) Uanis(C4) = Uanis(C4A) Uanis(C5) = Uanis(C5A) Uanis(C17) = Uanis(C17A) Uanis(C18) = Uanis(C18A) Uanis(C19) = Uanis(C19A) Uanis(C30) = Uanis(C30A) Uanis(C31) = Uanis(C31A) Uanis(C32) = Uanis(C32A) Uanis(C33) = Uanis(C33A) Uanis(C34) = Uanis(C34A) Uanis(C35) = Uanis(C35A) 5. Others Sof(C3A)=Sof(H3A)=Sof(C4A)=Sof(H4Aa)=Sof(H4Ab)=Sof(H4Ac)=Sof(C5A)=Sof(H5Aa)= Sof(H5Ab)=Sof(H5Ac)=1-FVAR(1) Sof(C3)=Sof(H3)=Sof(C4)=Sof(H4a)=Sof(H4b)=Sof(H4c)=Sof(C5)=Sof(H5a)=Sof(H5b)= Sof(H5c)=FVAR(1) Sof(C31A)=Sof(H31A)=Sof(C30A)=Sof(H30A)=Sof(C32A)=Sof(H32d)=Sof(H32e)= Sof(H32f)=Sof(C33A)=Sof(H33d)=Sof(H33e)=Sof(H33f)=Sof(C34A)=Sof(H34d)= Sof(H34e)=Sof(H34f)=Sof(C35A)=Sof(H35d)=Sof(H35e)=Sof(H35f)=1-FVAR(2) Sof(C30)=Sof(H30)=Sof(C31)=Sof(H31)=Sof(C32)=Sof(H32a)=Sof(H32b)=Sof(H32c)= Sof(C33)=Sof(H33a)=Sof(H33b)=Sof(H33c)=Sof(C34)=Sof(H34a)=Sof(H34b)=Sof(H34c)= Sof(C35)=Sof(H35a)=Sof(H35b)=Sof(H35c)=FVAR(2) Sof(C17A)=Sof(H17A)=Sof(C19A)=Sof(H19d)=Sof(H19e)=Sof(H19f)=Sof(C18A)= Sof(H18d)=Sof(H18e)=Sof(H18f)=1-FVAR(3) Sof(C17)=Sof(H17)=Sof(C18)=Sof(H18a)=Sof(H18b)=Sof(H18c)=Sof(C19)=Sof(H19a)= Sof(H19b)=Sof(H19c)=FVAR(3) 6.a Ternary CH refined with riding coordinates: C2(H2), C3(H3), C9(H9), C10(H10), C16(H16), C17(H17), C23(H23), C24(H24), C30(H30), C31(H31), C37(H37), C38(H38), C44(H44), C45(H45), C3A(H3A), C31A(H31A), C30A(H30A), C17A(H17A) 6.b Idealised Me refined as rotating group: C4(H4a,H4b,H4c), C5(H5a,H5b,H5c), C6(H6a,H6b,H6c), C7(H7a,H7b,H7c), C11(H11a, H11b,H11c), C12(H12a,H12b,H12c), C13(H13a,H13b,H13c), C14(H14a,H14b,H14c), C18(H18a,H18b,H18c), C19(H19a,H19b,H19c), C20(H20a,H20b,H20c), C21(H21a,H21b, H21c), C25(H25a,H25b,H25c), C26(H26a,H26b,H26c), C27(H27a,H27b,H27c), C28(H28a, H28b,H28c), C32(H32a,H32b,H32c), C33(H33a,H33b,H33c), C34(H34a,H34b,H34c), C35(H35a,H35b,H35c), C39(H39a,H39b,H39c), C40(H40a,H40b,H40c), C41(H41a,H41b, H41c), C42(H42a,H42b,H42c), C46(H46a,H46b,H46c), C47(H47a,H47b,H47c), C48(H48a, H48b,H48c), C49(H49a,H49b,H49c), C4A(H4Aa,H4Ab,H4Ac), C5A(H5Aa,H5Ab,H5Ac), C32A(H32d,H32e,H32f), C33A(H33d,H33e,H33f), C34A(H34d,H34e,H34f), C35A(H35d, H35e,H35f), C19A(H19d,H19e,H19f), C18A(H18d,H18e,H18f) 6.c Idealised tetrahedral OH refined as rotating group: O4(H4) ; _iucr_refine_fcf_details ; data_rmg2028_CCDC1 _computing_structure_refinement 'olex2.refine (Bourhis et al., 2015)' _shelx_refln_list_code 4 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,-z _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_Int_Tables_number 2 _cell_length_a 14.8500(7) _cell_length_b 15.5422(6) _cell_length_c 17.5104(7) _cell_angle_alpha 110.729(4) _cell_angle_beta 95.790(3) _cell_angle_gamma 98.130(4) _cell_volume 3691.8(3) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_weight _refln_observed_status -18 -1 3 4.804 4.880 2.995 255.782 o -18 -1 4 0.121 0.036 1.994 847.656 o -18 -1 5 8.071 19.844 5.890 70.299 o -18 0 1 17.917 15.418 5.132 69.249 o -18 0 2 0.556 3.090 2.482 471.478 o -18 0 3 19.047 12.840 11.242 22.969 o -18 0 4 0.629 0.001 0.904 3018.620 o -18 0 5 14.925 16.210 5.932 62.273 o -18 0 6 2.837 3.918 2.287 429.715 o -18 1 1 0.028 0.011 2.688 473.856 o -18 1 2 15.204 13.076 5.101 77.333 o -18 1 3 21.375 17.075 16.537 11.337 o -18 1 4 53.383 59.065 27.285 3.833 o -18 1 5 16.680 19.758 7.560 42.042 o -18 1 6 0.939 1.246 2.054 681.591 o -18 2 1 6.713 4.823 2.270 311.324 o -18 2 2 0.015 1.814 1.505 1252.790 o -18 2 3 7.109 6.201 5.140 103.468 o -18 2 4 25.052 21.039 9.700 26.006 o -18 2 5 27.164 30.432 19.049 8.317 o -18 2 6 0.003 2.734 3.273 300.229 o -18 3 1 4.546 4.998 1.903 433.338 o -18 3 2 1.208 2.141 2.670 411.188 o -18 3 3 0.068 1.265 2.095 723.172 o -18 3 4 17.734 8.377 3.409 113.667 o -18 3 5 3.183 1.503 1.821 621.552 o -18 4 1 0.783 0.097 3.706 242.285 o -18 4 2 2.509 2.262 2.612 387.840 o -18 4 3 10.916 3.803 4.853 105.413 o -18 4 4 7.362 10.408 4.229 128.705 o -18 5 1 3.944 0.036 2.298 457.257 o -18 5 2 7.919 1.692 2.854 249.914 o -18 5 3 0.995 1.266 2.356 535.788 o -17 -4 2 4.219 15.211 5.986 78.068 o -17 -4 3 1.053 0.100 1.052 2048.750 o -17 -4 4 25.201 31.517 7.977 30.988 o -17 -4 5 15.088 25.874 7.330 42.792 o -17 -4 6 0.256 0.013 3.996 213.086 o -17 -3 1 2.172 4.113 3.866 197.860 o -17 -3 2 1.974 2.254 2.090 565.496 o -17 -3 3 18.948 26.646 7.953 35.783 o -17 -3 4 2.705 6.815 4.212 160.508 o -17 -3 5 0.047 0.590 1.270 1921.570 o -17 -3 6 0.715 2.484 3.038 334.171 o -17 -3 7 25.363 16.112 7.216 39.676 o -17 -3 8 0.872 2.224 3.755 226.472 o -17 -2 1 0.924 0.675 2.140 655.325 o -17 -2 2 2.374 0.567 1.762 755.779 o -17 -2 3 6.966 13.363 5.931 76.356 o -17 -2 4 7.156 14.631 4.778 102.825 o -17 -2 5 0.227 3.755 3.030 333.201 o -17 -2 6 12.689 7.334 4.240 112.943 o -17 -2 7 3.577 9.158 4.602 130.460 o -17 -2 8 1.995 8.642 4.377 149.598 o -17 -2 9 0.152 0.238 2.493 540.318 o -17 -1 1 1.964 3.290 4.148 178.589 o -17 -1 2 1.280 1.685 1.631 905.484 o -17 -1 3 6.725 7.959 3.172 199.324 o -17 -1 4 4.791 5.085 2.233 361.411 o -17 -1 5 7.342 3.518 4.205 145.815 o -17 -1 6 4.057 7.297 3.005 248.374 o -17 -1 7 4.818 5.995 3.053 241.902 o -17 -1 8 0.187 4.294 3.470 258.098 o -17 -1 9 5.620 3.488 2.688 291.934 o -17 -1 10 32.569 23.820 8.103 28.765 o -17 0 1 5.581 5.927 2.329 316.438 o -17 0 2 5.724 3.622 4.264 150.244 o -17 0 3 0.001 0.079 1.455 1605.790 o -17 0 4 17.884 18.005 6.653 49.619 o -17 0 5 2.951 6.833 3.431 220.113 o -17 0 6 37.957 37.612 10.451 18.178 o -17 0 7 9.259 8.445 6.729 62.507 o -17 0 8 4.830 11.134 6.699 66.275 o -17 0 9 2.176 1.783 3.718 221.381 o -17 0 10 3.003 3.329 2.860 316.206 o -17 1 1 23.402 14.617 7.846 37.349 o -17 1 2 3.608 2.168 3.812 199.252 o -17 1 3 15.966 10.071 4.669 87.355 o -17 1 4 7.567 5.975 5.027 106.227 o -17 1 5 17.861 14.485 7.137 46.700 o -17 1 6 33.347 22.304 8.973 25.572 o -17 1 7 10.549 18.712 7.485 47.497 o -17 1 8 0.343 2.825 6.688 75.155 o -17 1 9 6.125 4.053 3.840 172.740 o -17 2 1 0.626 5.378 3.964 195.590 o -17 2 2 4.452 10.074 4.931 112.576 o -17 2 3 3.061 9.285 8.052 49.280 o -17 2 4 0.041 0.051 3.232 327.354 o -17 2 5 0.155 3.348 5.360 115.547 o -17 2 6 0.002 0.969 4.480 168.866 o -17 2 7 1.072 3.867 5.412 110.919 o -17 2 8 7.135 5.338 3.990 153.620 o -17 2 9 2.045 3.680 3.766 209.712 o -17 3 1 20.945 34.287 9.027 27.774 o -17 3 2 0.083 0.771 2.971 378.544 o -17 3 3 6.879 4.733 5.590 92.208 o -17 3 4 0.011 0.398 4.294 185.020 o -17 3 5 3.894 6.600 5.374 103.070 o -17 3 6 0.975 0.439 1.407 1321.500 o -17 3 7 4.686 4.784 5.566 97.185 o -17 3 8 0.096 4.127 3.901 209.631 o -17 4 1 12.068 9.292 5.190 86.413 o -17 4 2 7.525 13.213 7.999 46.236 o -17 4 3 0.659 0.021 2.678 456.663 o -17 4 4 1.855 2.594 3.344 265.769 o -17 4 5 5.056 3.483 4.351 148.829 o -17 4 6 6.963 8.465 5.043 103.952 o -17 4 7 1.817 4.128 3.767 209.684 o -17 5 1 1.962 0.037 2.307 538.612 o -17 5 2 1.527 0.631 1.365 1210.250 o -17 5 3 6.875 3.704 3.855 168.008 o -17 5 4 0.453 2.050 2.134 644.426 o -17 5 5 17.688 18.120 6.961 46.901 o -17 5 6 5.715 8.373 2.489 270.447 o -17 6 1 2.736 1.442 2.153 524.146 o -17 6 2 0.183 0.380 2.200 682.121 o -17 6 3 2.340 3.686 2.962 308.061 o -17 6 4 41.429 27.962 8.474 23.145 o -17 6 5 2.084 1.632 1.970 628.722 o -17 6 6 0.151 1.459 1.689 1037.980 o -17 7 1 23.231 19.099 7.681 37.123 o -17 7 2 6.683 5.373 6.487 71.264 o -17 7 3 57.281 29.663 15.405 9.639 o -17 7 4 17.740 14.732 5.643 63.099 o -17 7 5 0.010 0.432 1.621 1250.910 o -17 8 1 16.314 21.371 7.268 44.060 o -17 8 2 44.951 34.819 9.843 18.076 o -17 8 3 5.800 4.824 4.229 148.885 o -17 8 4 0.510 2.492 2.528 469.128 o -17 9 1 2.236 0.708 1.367 1050.470 o -17 9 2 3.102 2.564 2.591 372.731 o -17 9 3 12.779 7.174 3.646 133.484 o -16 -6 1 59.390 93.609 12.886 8.614 o -16 -6 2 47.920 56.589 10.561 14.184 o -16 -6 3 2.260 1.348 2.887 345.383 o -16 -6 4 0.000 0.990 3.553 266.490 o -16 -6 5 3.410 3.794 4.653 138.693 o -16 -6 6 22.933 31.016 8.755 28.761 o -16 -6 7 1.336 3.197 2.767 370.739 o -16 -6 8 4.421 3.145 2.934 282.087 o -16 -6 9 0.065 0.008 2.137 745.682 o -16 -5 1 55.525 85.532 15.591 7.698 o -16 -5 2 28.061 44.446 11.143 18.113 o -16 -5 3 3.802 2.933 1.570 620.511 o -16 -5 4 10.572 14.750 6.785 57.087 o -16 -5 5 82.449 124.840 18.312 4.628 o -16 -5 6 22.596 28.468 5.827 46.450 o -16 -5 7 25.893 15.489 4.548 61.892 o -16 -5 8 6.580 3.608 2.790 262.398 o -16 -5 9 7.979 6.089 2.622 240.002 o -16 -5 10 4.232 2.302 2.184 433.649 o -16 -5 11 0.211 2.355 2.531 481.429 o -16 -4 1 6.689 12.755 5.783 80.416 o -16 -4 2 2.160 5.466 4.168 169.938 o -16 -4 3 1.041 0.067 3.811 227.503 o -16 -4 4 22.431 18.734 8.144 34.924 o -16 -4 5 0.001 0.053 5.287 122.684 o -16 -4 6 0.309 0.887 1.744 1001.950 o -16 -4 7 24.408 35.591 6.219 38.979 o -16 -4 8 16.316 15.915 4.034 90.923 o -16 -4 9 37.061 35.803 5.575 32.217 o -16 -4 10 1.980 4.784 3.270 260.458 o -16 -4 11 0.090 1.998 2.061 713.301 o -16 -3 1 0.359 0.970 4.450 169.558 o -16 -3 2 0.490 3.370 4.632 151.684 o -16 -3 3 12.584 9.816 6.137 66.965 o -16 -3 4 26.334 17.911 5.867 47.785 o -16 -3 5 35.980 37.046 7.601 25.959 o -16 -3 6 4.356 8.853 3.987 159.610 o -16 -3 7 3.183 3.960 1.996 491.496 o -16 -3 8 14.882 17.433 5.092 73.725 o -16 -3 9 4.006 5.741 3.295 228.211 o -16 -3 10 4.507 5.084 2.028 407.874 o -16 -3 11 2.795 2.990 2.834 327.993 o -16 -3 12 4.537 12.082 8.114 47.074 o -16 -2 1 19.811 52.431 13.844 13.819 o -16 -2 2 0.876 3.675 3.237 287.222 o -16 -2 3 19.590 17.780 5.211 63.257 o -16 -2 4 54.318 43.964 10.527 14.212 o -16 -2 5 7.746 9.484 5.534 87.247 o -16 -2 6 0.001 1.230 1.689 1083.670 o -16 -2 7 0.003 1.298 2.997 368.479 o -16 -2 8 4.817 0.863 2.350 400.209 o -16 -2 9 3.478 4.545 4.849 127.528 o -16 -2 10 2.164 6.563 3.465 225.880 o -16 -2 11 2.575 4.007 4.202 169.267 o -16 -2 12 0.371 1.423 1.750 947.287 o -16 -1 1 4.631 3.833 1.744 491.203 o -16 -1 2 0.152 3.428 3.967 205.132 o -16 -1 3 10.559 10.755 5.154 89.025 o -16 -1 4 3.868 5.865 6.796 68.199 o -16 -1 5 3.263 6.738 8.130 48.947 o -16 -1 6 3.213 5.462 3.030 270.041 o -16 -1 7 5.998 3.834 2.695 281.143 o -16 -1 8 4.864 1.496 3.973 179.804 o -16 -1 9 1.133 2.662 2.435 473.001 o -16 -1 10 10.823 8.677 10.961 26.122 o -16 -1 11 46.688 49.047 12.538 12.553 o -16 -1 12 0.027 2.105 1.792 910.873 o -16 0 1 33.569 33.006 10.714 19.102 o -16 0 2 7.940 12.470 5.397 87.116 o -16 0 3 34.105 35.002 12.678 14.996 o -16 0 4 63.903 81.445 20.915 5.170 o -16 0 5 3.658 0.018 7.022 66.812 o -16 0 6 37.644 24.925 9.405 22.374 o -16 0 7 28.725 42.906 8.367 25.405 o -16 0 8 3.058 4.580 2.621 343.566 o -16 0 9 17.748 20.831 6.089 53.848 o -16 0 10 21.247 19.617 5.670 54.503 o -16 0 11 15.752 24.332 7.102 44.713 o -16 0 12 2.191 3.700 4.212 171.410 o -16 1 1 58.706 56.445 17.996 7.040 o -16 1 2 0.040 5.590 6.118 88.040 o -16 1 3 8.891 6.456 5.862 80.292 o -16 1 4 4.576 1.097 3.594 215.995 o -16 1 5 86.555 77.868 18.861 5.131 o -16 1 6 35.740 21.111 10.867 19.578 o -16 1 7 51.320 39.325 7.379 20.189 o -16 1 8 1.060 2.212 2.944 349.335 o -16 1 9 7.743 13.720 4.484 111.492 o -16 1 10 5.277 9.559 2.926 226.095 o -16 1 11 1.334 1.739 1.832 757.355 o -16 1 12 0.003 1.796 1.031 2250.510 o -16 2 1 21.291 15.102 10.762 23.923 o -16 2 2 66.754 84.729 20.797 5.073 o -16 2 3 19.139 9.444 7.993 40.447 o -16 2 4 49.104 37.626 11.914 13.772 o -16 2 5 2.765 2.143 2.435 424.855 o -16 2 6 7.717 4.029 5.708 88.108 o -16 2 7 0.511 0.578 5.479 112.765 o -16 2 8 1.744 13.872 3.917 164.414 o -16 2 9 61.850 89.915 14.042 7.945 o -16 2 10 36.361 51.968 7.926 22.038 o -16 2 11 6.670 8.649 3.687 163.439 o -16 3 1 180.123 176.831 30.433 1.555 o -16 3 2 53.247 55.321 17.824 7.424 o -16 3 3 0.048 5.416 10.138 32.900 o -16 3 4 60.845 79.330 20.291 5.512 o -16 3 5 5.660 11.219 9.609 34.323 o -16 3 6 5.798 5.095 6.593 70.411 o -16 3 7 3.163 0.005 2.138 543.893 o -16 3 8 0.413 3.533 2.519 456.995 o -16 3 9 43.355 70.331 9.246 15.409 o -16 3 10 31.172 43.446 6.362 30.820 o -16 3 11 1.162 1.269 1.390 1192.710 o -16 4 1 24.197 36.763 9.180 25.544 o -16 4 2 1.475 0.080 2.761 407.877 o -16 4 3 64.021 111.767 14.769 6.773 o -16 4 4 35.932 68.176 11.443 14.073 o -16 4 5 22.837 12.989 4.990 64.502 o -16 4 6 0.627 0.068 1.277 1743.680 o -16 4 7 4.133 3.454 1.536 589.241 o -16 4 8 9.259 20.669 5.303 77.994 o -16 4 9 0.798 0.429 1.049 2117.800 o -16 4 10 4.004 0.892 2.633 362.523 o -16 5 1 4.837 3.462 2.451 344.272 o -16 5 2 0.980 0.071 1.584 1132.130 o -16 5 3 81.105 100.179 19.577 4.750 o -16 5 4 35.627 32.121 7.141 28.777 o -16 5 5 2.602 1.944 2.888 332.266 o -16 5 6 16.258 15.713 5.428 67.652 o -16 5 7 8.176 3.696 5.533 92.206 o -16 5 8 1.618 3.901 4.491 154.917 o -16 5 9 3.766 2.358 2.270 428.543 o -16 6 1 78.238 87.340 24.002 3.929 o -16 6 2 24.397 13.302 8.435 33.656 o -16 6 3 8.030 15.594 6.451 64.149 o -16 6 4 44.988 56.847 16.668 8.575 o -16 6 5 17.141 9.408 5.393 72.142 o -16 6 6 19.155 24.182 9.369 28.864 o -16 6 7 12.029 15.669 6.530 58.346 o -16 6 8 0.720 0.017 4.599 159.419 o -16 6 9 8.794 2.497 2.188 301.201 o -16 7 1 5.149 10.325 14.458 15.894 o -16 7 2 11.940 19.257 7.720 44.130 o -16 7 3 98.120 109.421 39.500 1.709 o -16 7 4 47.007 43.433 11.707 13.925 o -16 7 5 16.679 7.440 3.480 118.777 o -16 7 6 21.370 27.463 8.467 31.541 o -16 7 7 25.058 38.962 9.803 22.900 o -16 7 8 11.643 5.878 3.735 139.488 o -16 8 1 3.145 5.294 3.195 251.758 o -16 8 2 82.271 107.418 18.780 4.802 o -16 8 3 27.494 21.600 7.258 36.086 o -16 8 4 5.389 5.018 4.547 134.039 o -16 8 5 4.634 0.005 2.122 479.665 o -16 8 6 45.903 66.148 12.364 11.774 o -16 8 7 33.129 47.883 9.409 20.331 o -16 9 1 13.963 19.695 7.328 46.009 o -16 9 2 1.362 0.034 2.365 543.564 o -16 9 3 13.314 21.581 7.160 47.313 o -16 9 4 2.528 5.040 4.570 144.120 o -16 9 5 25.708 27.395 7.601 33.604 o -16 9 6 53.871 77.995 12.461 10.129 o -16 10 1 9.114 22.593 7.866 43.614 o -16 10 2 21.503 27.907 8.697 30.283 o -16 10 3 21.290 22.812 7.467 38.534 o -16 10 4 10.639 17.400 6.312 61.907 o -16 11 1 2.520 2.943 2.041 535.519 o -16 11 2 20.330 18.259 6.036 52.856 o -15 -8 3 5.024 2.290 1.980 451.541 o -15 -8 4 46.660 62.599 10.459 14.011 o -15 -8 6 3.046 2.819 2.725 344.537 o -15 -8 7 12.950 11.982 4.876 88.170 o -15 -8 8 50.153 42.019 9.920 16.003 o -15 -8 9 0.010 0.175 3.060 364.576 o -15 -8 10 35.038 42.577 10.022 19.171 o -15 -7 1 18.337 16.793 6.502 51.238 o -15 -7 2 10.695 10.309 5.784 75.673 o -15 -7 3 0.733 2.817 4.724 146.261 o -15 -7 4 16.101 30.703 10.441 24.436 o -15 -7 5 2.438 1.427 2.476 436.535 o -15 -7 6 0.238 0.573 1.981 819.101 o -15 -7 7 41.284 42.516 10.254 17.283 o -15 -7 8 13.867 6.656 4.445 103.898 o -15 -7 9 0.496 0.009 2.889 399.061 o -15 -7 10 1.726 0.014 5.754 100.864 o -15 -7 11 1.392 2.731 4.812 139.173 o -15 -7 12 8.789 19.994 6.202 64.215 o -15 -6 1 47.021 91.808 15.785 7.927 o -15 -6 2 31.908 37.336 12.149 16.072 o -15 -6 3 5.186 0.523 1.831 524.793 o -15 -6 4 7.139 6.458 4.050 147.385 o -15 -6 5 6.376 7.841 4.401 131.060 o -15 -6 6 21.212 13.777 4.186 77.840 o -15 -6 7 2.093 0.045 2.267 547.717 o -15 -6 8 7.684 11.571 4.271 123.265 o -15 -6 9 0.665 0.381 2.026 755.395 o -15 -6 10 0.527 1.303 2.022 730.541 o -15 -6 11 0.863 3.595 4.360 167.808 o -15 -6 12 3.795 0.111 1.492 783.240 o -15 -6 13 2.282 0.402 4.116 187.692 o -15 -5 1 0.028 0.622 2.788 431.782 o -15 -5 2 138.015 157.704 22.568 2.513 o -15 -5 3 16.809 39.460 11.902 18.947 o -15 -5 4 13.929 20.295 9.530 30.625 o -15 -5 5 15.022 29.998 7.210 42.219 o -15 -5 6 21.295 30.800 7.806 34.094 o -15 -5 7 60.916 69.271 11.405 10.626 o -15 -5 8 1.254 4.367 2.793 353.587 o -15 -5 9 7.171 6.125 2.373 276.818 o -15 -5 10 10.034 8.759 4.462 112.909 o -15 -5 11 21.312 21.038 6.213 48.617 o -15 -5 12 17.969 27.952 7.000 42.288 o -15 -5 13 8.446 13.441 4.953 95.983 o -15 -4 1 28.825 35.431 10.989 19.232 o -15 -4 2 42.046 67.689 17.620 7.800 o -15 -4 3 11.916 12.115 5.522 76.967 o -15 -4 4 2.478 1.618 4.997 128.124 o -15 -4 5 14.309 19.034 4.184 89.344 o -15 -4 6 50.303 40.023 7.958 19.386 o -15 -4 7 0.613 2.518 1.839 785.020 o -15 -4 8 58.529 60.084 8.420 14.309 o -15 -4 9 9.449 11.025 4.215 119.224 o -15 -4 10 0.028 0.160 1.826 1012.350 o -15 -4 11 0.192 2.068 2.963 364.371 o -15 -4 12 0.638 7.337 4.515 150.284 o -15 -4 13 10.902 11.594 4.218 112.335 o -15 -4 14 0.678 0.996 1.827 869.485 o -15 -3 1 87.359 132.616 21.347 3.779 o -15 -3 2 2.370 5.325 2.922 299.691 o -15 -3 3 1.773 1.019 2.575 436.930 o -15 -3 4 5.871 2.746 3.477 207.558 o -15 -3 5 0.519 0.718 2.300 597.881 o -15 -3 6 5.945 0.776 3.249 239.098 o -15 -3 7 35.841 27.304 9.482 22.350 o -15 -3 8 53.189 46.669 9.516 15.468 o -15 -3 9 50.576 58.483 10.681 13.446 o -15 -3 10 1.909 5.924 4.060 177.896 o -15 -3 11 19.435 5.116 5.152 75.921 o -15 -3 12 9.444 17.720 6.573 59.519 o -15 -3 13 6.448 5.862 7.896 50.148 o -15 -3 14 0.828 8.293 3.629 213.935 o -15 -2 1 0.735 0.212 1.701 1032.170 o -15 -2 2 17.559 20.347 7.241 43.716 o -15 -2 3 70.670 84.599 17.489 6.071 o -15 -2 4 134.728 135.572 25.024 2.487 o -15 -2 5 67.371 59.748 12.132 9.915 o -15 -2 6 27.480 12.765 4.797 59.043 o -15 -2 7 9.818 7.846 3.319 164.454 o -15 -2 8 0.078 4.370 3.661 234.797 o -15 -2 9 7.343 7.525 3.405 179.765 o -15 -2 10 2.614 3.004 3.743 210.144 o -15 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71.364 o -11 -1 1 86.472 78.679 23.112 4.043 o -11 -1 2 103.712 105.593 52.799 1.054 o -11 -1 3 74.013 35.773 28.311 3.495 o -11 -1 4 1544.290 1486.530 676.468 0.006 o -11 -1 5 288.496 120.094 24.993 1.257 o -11 -1 6 236.262 94.729 33.138 1.362 o -11 -1 7 755.226 268.033 41.158 0.233 o -11 -1 8 0.758 4.658 2.877 344.218 o -11 -1 9 15.821 16.762 6.904 49.704 o -11 -1 10 158.385 156.130 27.364 1.954 o -11 -1 11 30.258 54.263 17.076 9.209 o -11 -1 12 330.410 382.062 45.996 0.512 o -11 -1 13 0.010 0.876 4.835 145.337 o -11 -1 14 13.474 3.106 3.673 139.661 o -11 -1 15 30.997 27.210 7.300 32.023 o -11 -1 16 0.428 5.216 5.483 108.156 o -11 -1 17 1.809 11.823 4.342 145.085 o -11 0 1 300.404 189.761 62.568 0.520 o -11 0 2 5.563 3.636 10.740 28.614 o -11 0 3 133.515 147.031 49.855 1.049 o -11 0 4 781.154 346.558 48.807 0.198 o -11 0 5 176.219 66.124 24.890 2.416 o -11 0 6 37.361 3.332 4.730 51.959 o -11 0 7 504.896 350.062 39.463 0.371 o -11 0 8 52.232 51.997 10.643 13.748 o -11 0 9 760.168 532.249 49.995 0.174 o -11 0 10 19.282 23.346 7.541 39.201 o -11 0 11 117.863 160.494 32.396 1.936 o -11 0 12 0.012 0.725 5.404 116.726 o -11 0 13 2.794 2.310 4.586 147.614 o -11 0 14 148.664 114.955 26.660 2.304 o -11 0 15 9.847 8.854 4.577 109.632 o -11 0 16 3.455 5.925 3.368 225.778 o -11 0 17 0.036 0.290 2.573 511.299 o -11 1 1 111.832 106.941 30.834 2.338 o -11 1 2 61.433 53.378 20.258 5.938 o -11 1 3 4.420 3.249 7.046 64.436 o -11 1 4 21.299 24.972 7.851 35.508 o -11 1 5 169.600 144.667 30.605 1.726 o -11 1 6 301.780 261.964 38.564 0.733 o -11 1 7 20.470 16.472 9.180 30.724 o -11 1 8 0.002 1.106 2.246 643.922 o -11 1 9 323.599 320.943 47.822 0.548 o -11 1 10 64.650 59.222 8.234 13.399 o -11 1 11 143.073 179.426 46.658 1.087 o -11 1 12 27.404 17.689 6.450 42.596 o -11 1 13 40.877 17.929 12.012 16.446 o -11 1 14 46.570 42.554 16.006 9.446 o -11 1 15 5.091 1.813 2.629 327.672 o -11 1 16 0.000 2.074 1.912 818.943 o -11 1 17 0.336 3.899 2.966 342.466 o -11 2 1 34.439 34.759 8.210 25.242 o -11 2 2 105.570 82.119 34.104 2.174 o -11 2 3 41.336 37.379 10.119 18.095 o -11 2 4 505.039 499.592 40.913 0.309 o -11 2 5 3.928 4.069 3.034 269.250 o -11 2 6 13.346 18.007 10.479 26.621 o -11 2 7 231.964 191.414 26.431 1.335 o -11 2 8 87.679 69.824 10.262 8.463 o -11 2 9 2.832 2.581 4.132 176.909 o -11 2 10 64.182 54.595 7.894 14.238 o -11 2 11 0.027 7.339 8.424 46.985 o -11 2 12 34.661 49.271 11.453 15.839 o -11 2 13 60.512 64.951 14.225 8.884 o -11 2 14 53.851 71.731 12.685 10.284 o -11 2 15 0.851 1.707 3.135 319.971 o -11 2 16 53.281 50.919 8.023 16.969 o -11 2 17 2.564 2.818 1.770 639.985 o -11 3 1 534.724 515.258 121.906 0.136 o -11 3 2 59.796 49.749 11.285 12.100 o -11 3 3 110.980 104.794 16.835 4.347 o -11 3 4 0.919 7.968 5.557 101.780 o -11 3 5 0.967 0.937 4.013 203.538 o -11 3 6 391.690 340.863 38.212 0.507 o -11 3 7 160.460 156.598 15.572 2.706 o -11 3 8 36.424 41.980 8.749 21.774 o -11 3 9 16.971 15.873 6.244 56.007 o -11 3 10 188.898 240.024 46.687 0.891 o -11 3 11 174.159 287.466 30.581 1.270 o -11 3 12 20.857 8.158 2.817 113.453 o -11 3 13 115.148 128.019 19.782 3.462 o -11 3 14 4.474 2.240 2.742 317.692 o -11 3 15 18.712 16.936 5.536 61.346 o -11 3 16 29.243 46.783 7.043 28.620 o -11 4 1 459.602 526.948 81.010 0.225 o -11 4 2 2.204 4.970 11.387 25.921 o -11 4 3 32.653 31.390 9.552 22.498 o -11 4 4 70.550 59.151 15.094 7.848 o -11 4 5 39.338 32.289 18.218 8.399 o -11 4 6 11.032 21.982 5.991 62.871 o -11 4 7 0.469 1.222 1.994 756.782 o -11 4 8 15.013 20.102 5.746 61.829 o -11 4 9 11.140 13.792 4.787 92.545 o -11 4 10 108.984 156.799 23.558 2.843 o -11 4 11 9.932 14.515 5.853 72.200 o -11 4 12 41.005 54.914 11.831 13.800 o -11 4 13 1.583 0.537 3.125 319.309 o -11 4 14 3.083 0.059 1.687 754.070 o -11 4 15 2.101 6.984 3.481 222.792 o -11 4 16 0.018 1.385 1.869 889.773 o -11 5 1 171.919 187.042 21.413 2.005 o -11 5 2 622.961 692.150 56.316 0.185 o -11 5 3 66.670 57.362 17.535 6.868 o -11 5 4 96.612 86.906 12.075 6.503 o -11 5 5 134.105 88.168 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144.177 13.771 3.878 o 5 3 12 2.979 8.586 3.282 225.190 o 5 3 13 15.582 15.845 8.402 37.664 o 5 3 14 37.835 32.572 9.689 20.493 o 5 3 15 6.484 10.768 5.127 99.639 o 5 3 16 24.893 38.505 8.548 27.219 o 5 4 0 97.815 84.859 16.398 5.265 o 5 4 1 1.711 8.126 5.663 96.715 o 5 4 2 314.939 296.699 26.662 0.788 o 5 4 3 664.861 628.745 133.131 0.103 o 5 4 4 102.341 95.587 23.511 3.479 o 5 4 5 683.320 875.191 60.323 0.142 o 5 4 6 76.313 113.028 22.909 3.936 o 5 4 7 596.965 578.028 55.612 0.214 o 5 4 8 124.840 156.327 29.469 2.111 o 5 4 9 323.943 294.146 18.630 0.835 o 5 4 10 189.452 212.328 14.735 1.956 o 5 4 11 447.342 563.982 40.714 0.327 o 5 4 12 34.470 47.282 10.372 18.036 o 5 4 13 15.360 13.183 3.496 111.329 o 5 4 14 7.658 3.390 4.804 117.805 o 5 4 15 13.478 24.801 5.609 62.386 o 5 4 16 32.713 43.745 7.540 26.107 o 5 5 0 272.504 265.836 11.095 1.167 o 5 5 1 33.078 15.284 4.982 48.006 o 5 5 2 75.429 115.002 20.267 4.526 o 5 5 3 107.026 122.653 22.651 3.275 o 5 5 4 455.223 358.854 75.847 0.275 o 5 5 5 982.705 1042.270 58.511 0.085 o 5 5 6 301.240 318.391 34.463 0.716 o 5 5 7 0.300 0.282 3.490 276.625 o 5 5 8 18.247 11.907 3.213 108.274 o 5 5 9 153.576 185.608 16.453 2.525 o 5 5 10 239.933 290.805 23.376 1.107 o 5 5 11 72.671 114.158 15.013 6.151 o 5 5 12 34.830 46.675 11.042 16.761 o 5 5 13 19.402 41.920 9.973 23.586 o 5 5 14 29.115 33.897 6.961 32.633 o 5 5 15 0.000 1.431 1.606 1165.290 o 5 6 0 57.283 69.558 9.445 12.714 o 5 6 1 37.888 36.249 4.922 33.630 o 5 6 2 301.332 286.090 27.655 0.831 o 5 6 3 65.993 68.140 8.643 12.090 o 5 6 4 528.055 510.608 80.151 0.207 o 5 6 5 3.181 11.278 7.478 55.739 o 5 6 6 23.733 18.563 10.556 23.629 o 5 6 7 138.771 168.272 15.392 3.014 o 5 6 8 580.338 740.637 32.259 0.216 o 5 6 9 81.761 96.172 12.602 6.978 o 5 6 10 86.414 81.415 11.386 7.625 o 5 6 11 31.552 29.302 7.428 30.596 o 5 6 12 6.113 5.715 3.099 223.506 o 5 6 13 4.762 8.822 3.519 187.586 o 5 6 14 2.549 0.989 1.952 627.061 o 5 7 0 596.891 635.808 35.967 0.228 o 5 7 1 757.350 767.307 37.217 0.151 o 5 7 2 0.299 0.689 2.158 688.120 o 5 7 3 8.760 16.276 6.711 59.160 o 5 7 4 26.085 39.264 9.724 22.785 o 5 7 5 87.459 132.488 16.142 4.813 o 5 7 6 174.111 205.799 22.809 1.826 o 5 7 7 29.448 21.294 6.333 40.058 o 5 7 8 50.812 44.830 8.701 17.376 o 5 7 9 442.750 498.345 29.545 0.388 o 5 7 10 111.425 105.983 12.571 5.122 o 5 7 11 5.275 5.547 2.431 313.441 o 5 7 12 0.234 0.025 2.974 382.487 o 5 7 13 30.699 32.847 6.659 33.267 o 5 8 0 1946.140 1918.690 87.560 0.024 o 5 8 1 226.120 212.939 24.466 1.360 o 5 8 2 34.284 27.020 11.298 18.271 o 5 8 3 29.997 29.716 6.699 34.582 o 5 8 4 62.307 51.932 10.240 12.578 o 5 8 5 128.805 144.050 13.516 3.712 o 5 8 6 660.503 728.121 37.736 0.184 o 5 8 7 62.268 32.918 9.036 15.636 o 5 8 8 0.198 1.895 3.567 257.661 o 5 8 9 84.504 86.958 14.362 6.467 o 5 8 10 51.802 55.084 11.075 13.080 o 5 8 11 18.579 11.038 6.202 57.463 o 5 8 12 1.049 4.618 3.710 219.736 o 5 9 0 67.621 61.896 19.728 5.787 o 5 9 1 136.034 119.839 20.001 3.095 o 5 9 2 51.106 54.563 7.342 17.994 o 5 9 3 58.093 37.097 12.334 12.093 o 5 9 4 393.445 503.433 40.545 0.400 o 5 9 5 153.049 147.362 17.276 2.792 o 5 9 6 484.703 513.142 51.036 0.293 o 5 9 7 34.971 42.043 11.374 16.564 o 5 9 8 0.241 0.111 2.475 546.759 o 5 9 9 27.372 24.114 6.314 40.733 o 5 9 10 129.801 155.765 15.814 3.300 o 5 9 11 6.014 7.691 5.152 103.984 o 5 10 0 4.535 9.083 4.312 140.501 o 5 10 1 74.995 70.011 7.273 11.432 o 5 10 2 91.145 95.895 11.761 6.658 o 5 10 3 159.242 145.601 16.585 2.751 o 5 10 4 7.074 7.515 3.865 154.572 o 5 10 5 107.897 132.321 30.308 2.307 o 5 10 6 15.015 27.247 8.170 36.477 o 5 10 7 23.244 23.797 7.085 39.280 o 5 10 8 1.715 2.128 3.311 275.091 o 5 10 9 162.564 223.989 18.772 2.032 o 5 10 10 42.153 59.627 11.803 13.322 o 5 11 0 20.765 26.988 6.495 44.034 o 5 11 1 0.051 0.044 3.243 325.126 o 5 11 2 15.457 8.212 4.166 103.390 o 5 11 3 17.764 9.269 6.076 61.206 o 5 11 4 184.520 274.322 20.275 1.547 o 5 11 5 18.616 8.709 3.575 105.205 o 5 11 6 18.144 16.431 7.042 46.508 o 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118.900 o 6 -13 12 235.242 218.445 106.869 0.255 o 6 -13 13 121.738 156.936 67.538 0.647 o 6 -13 14 1.516 4.604 5.090 122.345 o 6 -13 15 2.106 0.239 5.204 121.363 o 6 -13 16 27.217 21.799 8.137 31.679 o 6 -13 17 0.000 1.536 3.977 211.701 o 6 -13 18 17.889 31.201 11.700 20.015 o 6 -12 0 7.490 6.363 4.488 125.829 o 6 -12 1 359.802 351.501 76.850 0.320 o 6 -12 2 89.299 66.306 27.448 3.258 o 6 -12 3 322.732 451.422 72.173 0.334 o 6 -12 4 173.936 213.634 30.015 1.495 o 6 -12 5 51.590 40.853 10.036 15.662 o 6 -12 6 16.701 10.619 6.660 54.445 o 6 -12 7 56.590 51.636 10.878 12.831 o 6 -12 8 0.044 1.466 1.945 820.752 o 6 -12 9 63.769 31.865 16.015 8.638 o 6 -12 10 4.807 4.367 3.270 229.524 o 6 -12 11 6.911 2.270 3.826 174.371 o 6 -12 12 26.345 26.357 10.495 22.181 o 6 -12 13 0.089 2.326 4.938 137.029 o 6 -12 14 1.119 3.112 4.979 130.784 o 6 -12 15 0.099 1.738 4.292 181.344 o 6 -12 16 16.175 14.722 13.334 17.299 o 6 -12 17 0.254 6.450 4.133 180.489 o 6 -12 18 0.013 2.738 4.153 190.966 o 6 -11 0 54.748 64.116 22.515 5.121 o 6 -11 1 0.029 6.620 4.108 183.332 o 6 -11 2 76.053 51.246 17.432 6.611 o 6 -11 3 21.177 15.830 13.675 15.960 o 6 -11 4 55.801 37.883 21.512 5.826 o 6 -11 5 0.447 0.075 2.594 491.965 o 6 -11 6 16.091 5.517 6.699 57.263 o 6 -11 7 76.406 48.139 15.265 7.733 o 6 -11 8 0.051 2.526 3.054 342.803 o 6 -11 9 33.431 26.592 6.014 36.434 o 6 -11 10 188.946 65.628 14.953 3.074 o 6 -11 11 148.087 60.567 13.380 4.433 o 6 -11 12 109.859 63.190 25.685 3.272 o 6 -11 13 58.931 29.378 16.382 8.770 o 6 -11 14 10.261 5.463 7.500 52.460 o 6 -11 15 5.933 7.198 5.932 82.911 o 6 -11 16 17.469 9.802 6.050 61.600 o 6 -11 17 4.298 1.351 3.644 212.431 o 6 -11 18 0.960 1.262 4.612 155.191 o 6 -11 19 2.982 0.310 4.134 182.388 o 6 -10 0 19.564 20.073 13.787 15.684 o 6 -10 1 50.338 45.619 21.307 5.961 o 6 -10 2 122.494 130.134 34.541 1.858 o 6 -10 3 2.758 7.389 8.074 49.670 o 6 -10 4 180.267 175.909 43.516 1.082 o 6 -10 5 70.384 49.292 21.053 5.410 o 6 -10 6 39.045 59.986 25.117 4.630 o 6 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2.325 2.465 479.041 o 6 -9 14 0.552 0.871 3.434 278.953 o 6 -9 15 3.205 0.611 4.277 169.528 o 6 -9 16 9.237 5.281 7.571 52.402 o 6 -9 17 15.195 8.118 5.092 82.857 o 6 -9 18 29.624 8.862 6.298 45.701 o 6 -9 19 16.631 10.807 3.999 98.903 o 6 -8 0 89.827 73.700 16.253 5.890 o 6 -8 1 940.232 1079.000 82.395 0.081 o 6 -8 2 49.399 84.939 14.457 8.820 o 6 -8 3 44.404 21.737 8.185 23.973 o 6 -8 4 129.511 66.322 14.577 4.803 o 6 -8 5 478.822 510.706 84.499 0.213 o 6 -8 6 117.007 117.682 21.285 3.323 o 6 -8 7 0.069 0.688 5.890 98.298 o 6 -8 8 102.461 140.715 27.893 2.562 o 6 -8 9 0.356 0.133 3.742 241.370 o 6 -8 10 21.978 19.646 6.769 44.135 o 6 -8 11 112.586 60.538 13.362 5.974 o 6 -8 12 4.144 5.916 3.206 234.753 o 6 -8 13 10.239 3.600 3.402 172.655 o 6 -8 14 47.129 31.363 11.986 14.434 o 6 -8 15 43.356 42.780 13.436 12.277 o 6 -8 16 150.749 109.692 28.158 2.189 o 6 -8 17 0.019 3.741 4.640 152.314 o 6 -8 18 0.123 0.004 5.324 120.760 o 6 -8 19 6.291 9.589 3.814 155.819 o 6 -7 0 2.049 6.670 7.749 54.288 o 6 -7 1 861.425 887.548 39.015 0.117 o 6 -7 2 464.449 466.589 29.509 0.383 o 6 -7 3 288.096 280.179 18.852 0.985 o 6 -7 4 107.291 86.500 14.509 5.311 o 6 -7 5 64.020 85.432 13.028 8.490 o 6 -7 6 88.921 93.757 12.751 6.553 o 6 -7 7 45.869 72.023 11.754 12.015 o 6 -7 8 217.925 265.894 65.790 0.531 o 6 -7 9 75.271 107.502 17.235 5.480 o 6 -7 10 26.195 33.599 10.128 22.367 o 6 -7 11 1.116 0.662 2.940 365.066 o 6 -7 12 1.063 3.369 2.897 347.296 o 6 -7 13 71.357 43.988 8.729 13.131 o 6 -7 14 1.248 1.671 6.528 78.471 o 6 -7 15 74.530 49.550 16.927 6.961 o 6 -7 16 3.858 0.820 2.347 432.949 o 6 -7 17 13.151 21.479 6.705 52.040 o 6 -7 18 2.240 7.530 3.676 200.919 o 6 -7 19 0.000 0.089 3.796 237.683 o 6 -6 0 673.629 820.085 38.902 0.165 o 6 -6 1 51.490 30.690 8.222 19.954 o 6 -6 2 10.175 5.323 4.655 111.817 o 6 -6 3 17.145 15.670 3.108 107.146 o 6 -6 4 1375.200 1505.160 98.077 0.041 o 6 -6 5 416.932 477.499 45.955 0.370 o 6 -6 6 193.317 247.878 34.661 1.159 o 6 -6 7 69.761 66.763 4.708 14.134 o 6 -6 8 52.452 91.298 19.265 5.987 o 6 -6 9 6.842 8.439 7.397 55.189 o 6 -6 10 5.471 3.451 3.485 207.255 o 6 -6 11 12.132 7.058 4.227 116.027 o 6 -6 12 12.560 5.957 3.132 160.430 o 6 -6 13 47.014 29.992 10.141 17.605 o 6 -6 14 35.141 61.092 15.478 10.064 o 6 -6 15 60.342 82.121 19.309 5.846 o 6 -6 16 0.966 4.166 6.063 89.270 o 6 -6 17 9.464 7.652 4.274 123.900 o 6 -6 18 3.451 0.054 2.948 323.134 o 6 -6 19 0.253 0.094 3.975 215.073 o 6 -5 0 209.499 362.518 40.197 0.809 o 6 -5 1 281.648 291.656 28.131 0.877 o 6 -5 2 1.037 5.969 4.355 161.631 o 6 -5 3 0.773 2.908 2.016 653.092 o 6 -5 4 2151.920 2218.010 143.895 0.018 o 6 -5 5 365.678 401.612 33.414 0.528 o 6 -5 6 297.336 282.247 15.150 0.979 o 6 -5 7 698.022 955.132 148.479 0.077 o 6 -5 8 115.095 133.977 14.383 4.159 o 6 -5 9 91.960 68.429 8.459 8.852 o 6 -5 10 15.059 24.157 9.426 30.075 o 6 -5 11 589.084 764.743 184.812 0.069 o 6 -5 12 64.351 89.484 11.568 9.090 o 6 -5 13 70.398 95.205 14.322 7.069 o 6 -5 14 12.743 20.636 8.178 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204.795 212.887 26.026 1.446 o 9 -10 2 40.998 39.507 10.196 17.785 o 9 -10 3 31.010 16.556 2.965 64.853 o 9 -10 4 283.442 339.298 36.975 0.706 o 9 -10 5 153.629 170.270 16.992 2.610 o 9 -10 6 11.356 18.506 5.153 78.742 o 9 -10 7 100.431 69.290 11.297 7.073 o 9 -10 8 10.395 9.363 4.785 100.844 o 9 -10 9 3.175 1.558 2.026 542.816 o 9 -10 10 93.685 36.660 12.731 8.219 o 9 -10 11 158.032 78.463 18.484 3.240 o 9 -10 12 4.757 6.090 5.004 114.772 o 9 -10 13 0.002 1.241 2.293 615.269 o 9 -10 14 13.566 13.634 6.792 54.550 o 9 -10 15 2.587 0.750 3.454 253.245 o 9 -10 16 19.163 18.658 6.489 49.578 o 9 -10 17 26.809 37.223 7.639 30.151 o 9 -9 0 1.693 8.090 11.296 26.193 o 9 -9 1 165.166 146.703 32.253 1.662 o 9 -9 2 115.097 127.132 27.824 2.503 o 9 -9 3 58.694 71.462 11.389 10.771 o 9 -9 4 353.628 405.825 43.983 0.481 o 9 -9 5 54.787 65.790 12.899 10.324 o 9 -9 6 142.750 162.749 20.184 2.603 o 9 -9 7 146.096 123.323 14.700 3.410 o 9 -9 8 54.243 38.975 9.104 16.650 o 9 -9 9 126.947 97.261 16.583 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290.965 273.429 20.365 0.970 o 9 -4 2 75.594 87.246 11.332 8.290 o 9 -4 3 115.996 129.648 10.967 4.698 o 9 -4 4 276.703 281.936 22.704 0.981 o 9 -4 5 49.061 53.430 9.268 15.961 o 9 -4 6 59.660 73.396 18.386 6.428 o 9 -4 7 130.106 136.888 16.275 3.463 o 9 -4 8 48.844 84.186 28.108 3.548 o 9 -4 9 13.989 16.086 4.105 96.543 o 9 -4 10 121.376 148.583 12.922 3.928 o 9 -4 11 227.027 245.398 25.756 1.233 o 9 -4 12 1.933 3.823 4.117 179.670 o 9 -4 13 195.977 200.112 37.574 1.162 o 9 -4 14 1.521 1.732 2.542 443.087 o 9 -4 15 1.653 3.001 3.418 255.772 o 9 -4 16 23.557 24.301 7.471 36.548 o 9 -4 17 0.060 1.659 1.417 1392.370 o 9 -3 0 830.274 925.997 78.474 0.103 o 9 -3 1 134.397 135.736 15.886 3.418 o 9 -3 2 48.197 43.630 12.477 12.778 o 9 -3 3 944.858 1024.570 50.105 0.093 o 9 -3 4 608.874 588.856 79.124 0.174 o 9 -3 5 24.723 17.915 3.663 71.136 o 9 -3 6 37.995 53.080 14.682 10.928 o 9 -3 7 10.945 9.477 5.944 72.908 o 9 -3 8 86.825 82.116 14.952 6.268 o 9 -3 9 256.654 262.197 20.663 1.139 o 9 -3 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16.684 4.889 o 10 -5 9 2.577 3.791 2.370 420.377 o 10 -5 10 6.638 2.787 2.267 337.600 o 10 -5 11 1.414 1.685 4.352 170.292 o 10 -5 12 232.857 205.350 20.752 1.436 o 10 -5 13 180.493 222.650 28.450 1.486 o 10 -5 14 37.176 55.834 13.102 12.638 o 10 -5 15 39.691 45.687 11.914 14.581 o 10 -5 16 0.573 0.713 1.903 837.259 o 10 -4 0 56.791 43.790 12.883 11.299 o 10 -4 1 325.867 383.477 33.083 0.611 o 10 -4 2 34.884 41.479 11.260 16.843 o 10 -4 3 67.300 77.613 8.690 11.160 o 10 -4 4 63.386 60.031 9.480 12.470 o 10 -4 5 17.622 30.455 6.751 43.374 o 10 -4 6 195.056 249.675 23.512 1.466 o 10 -4 7 137.922 174.272 36.454 1.527 o 10 -4 8 0.108 2.486 2.762 411.760 o 10 -4 9 35.089 32.248 6.771 30.345 o 10 -4 10 48.010 42.344 8.770 18.300 o 10 -4 11 115.872 118.606 14.453 4.375 o 10 -4 12 0.157 0.798 2.960 379.392 o 10 -4 13 117.278 153.235 28.830 2.249 o 10 -4 14 1.333 1.443 2.615 432.749 o 10 -4 15 0.719 2.175 4.171 186.970 o 10 -4 16 0.959 3.342 1.640 835.205 o 10 -3 0 220.930 237.213 22.477 1.368 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11.684 3.451 107.461 o 10 -2 11 13.229 16.845 4.006 100.078 o 10 -2 12 85.983 93.353 27.157 3.167 o 10 -2 13 0.030 1.760 3.608 254.427 o 10 -2 14 0.219 0.667 1.391 1549.220 o 10 -2 15 3.471 3.016 3.625 214.219 o 10 -1 0 1265.660 1244.210 249.974 0.029 o 10 -1 1 324.129 345.897 31.825 0.661 o 10 -1 2 61.798 64.270 16.648 7.390 o 10 -1 3 50.414 38.676 19.507 6.964 o 10 -1 4 151.425 153.942 22.402 2.374 o 10 -1 5 219.881 216.906 29.747 1.242 o 10 -1 6 7.698 10.988 5.508 86.481 o 10 -1 7 3.108 3.591 2.061 485.259 o 10 -1 8 129.934 129.466 13.275 3.917 o 10 -1 9 136.768 162.895 18.855 2.809 o 10 -1 10 120.769 137.111 26.284 2.532 o 10 -1 11 50.837 76.874 17.234 7.327 o 10 -1 12 3.431 0.079 6.055 88.921 o 10 -1 13 2.763 2.870 2.814 333.484 o 10 -1 14 0.160 0.920 2.189 672.026 o 10 -1 15 6.061 1.205 1.900 449.469 o 10 0 0 97.253 92.249 22.365 3.818 o 10 0 1 62.167 56.284 11.722 10.993 o 10 0 2 94.730 102.506 18.603 4.528 o 10 0 3 0.046 1.593 2.914 384.531 o 10 0 4 397.621 416.160 37.558 0.455 o 10 0 5 91.006 95.756 17.229 5.099 o 10 0 6 96.324 100.860 15.556 5.217 o 10 0 7 25.653 23.770 12.683 16.988 o 10 0 8 16.114 20.318 9.721 28.936 o 10 0 9 170.186 167.986 32.475 1.553 o 10 0 10 11.577 6.137 8.568 40.784 o 10 0 11 5.901 1.311 3.697 194.769 o 10 0 12 10.216 20.924 6.294 60.502 o 10 0 13 14.975 18.249 6.564 53.335 o 10 0 14 2.165 5.168 3.145 272.045 o 10 1 0 201.394 149.891 30.182 1.516 o 10 1 1 33.294 20.914 11.388 18.860 o 10 1 2 133.036 187.959 35.209 1.579 o 10 1 3 70.768 56.522 12.387 9.564 o 10 1 4 125.750 135.319 36.009 1.726 o 10 1 5 2.029 2.590 3.647 226.682 o 10 1 6 274.613 262.978 25.216 0.991 o 10 1 7 11.464 9.745 7.849 46.371 o 10 1 8 68.376 74.388 24.008 4.255 o 10 1 9 51.479 49.540 17.418 7.908 o 10 1 10 10.932 22.527 9.427 31.841 o 10 1 11 85.919 138.439 19.948 3.999 o 10 1 12 0.440 2.223 2.632 443.495 o 10 1 13 52.263 65.720 11.019 12.295 o 10 1 14 7.759 9.818 6.345 69.849 o 10 2 0 1296.540 1186.940 367.452 0.018 o 10 2 1 893.507 722.227 170.095 0.063 o 10 2 2 125.600 82.318 36.192 1.869 o 10 2 3 164.376 134.060 21.829 2.377 o 10 2 4 2.740 3.880 3.495 230.393 o 10 2 5 49.126 64.100 15.021 9.251 o 10 2 6 71.219 90.436 14.691 7.010 o 10 2 7 50.212 49.437 12.438 12.196 o 10 2 8 133.593 106.653 23.256 2.884 o 10 2 9 29.849 26.636 11.843 17.926 o 10 2 10 100.256 131.257 17.676 4.120 o 10 2 11 86.009 147.087 18.170 4.212 o 10 2 12 7.580 16.363 4.990 93.475 o 10 2 13 1.488 0.271 1.330 1310.510 o 10 3 0 732.182 648.376 207.963 0.056 o 10 3 1 9.666 4.288 4.715 113.111 o 10 3 2 121.447 120.126 33.028 2.012 o 10 3 3 282.349 373.839 33.147 0.710 o 10 3 4 0.159 0.223 2.992 377.620 o 10 3 5 121.953 125.868 20.334 3.270 o 10 3 6 109.652 112.355 18.906 3.910 o 10 3 7 57.638 73.511 12.734 9.778 o 10 3 8 25.089 7.402 4.853 67.180 o 10 3 9 4.668 4.524 4.749 128.161 o 10 3 10 13.375 40.223 14.310 14.338 o 10 3 11 30.342 67.248 11.622 14.788 o 10 3 12 0.216 1.767 1.575 1126.230 o 10 3 13 45.211 48.001 9.493 17.089 o 10 4 0 113.696 118.056 59.303 0.841 o 10 4 1 22.100 40.259 11.227 19.556 o 10 4 2 58.617 70.866 11.935 10.398 o 10 4 3 189.078 203.755 22.130 1.732 o 10 4 4 164.377 189.339 21.553 2.066 o 10 4 5 297.874 289.946 30.443 0.804 o 10 4 6 127.744 135.442 20.241 3.078 o 10 4 7 4.055 5.024 3.614 201.605 o 10 4 8 4.559 1.503 1.728 564.359 o 10 4 9 36.024 26.953 7.114 30.035 o 10 4 10 90.395 80.853 17.337 5.378 o 10 4 11 0.055 2.383 3.811 226.125 o 10 4 12 4.989 1.380 3.085 266.767 o 10 5 0 41.791 32.217 7.192 25.626 o 10 5 1 0.441 1.976 2.271 581.556 o 10 5 2 4.701 4.086 2.922 271.839 o 10 5 3 148.224 179.096 17.558 2.588 o 10 5 4 215.677 226.392 21.701 1.457 o 10 5 5 224.679 224.882 23.448 1.359 o 10 5 6 0.047 0.408 1.600 1277.190 o 10 5 7 2.284 8.852 2.235 378.932 o 10 5 8 0.454 0.834 2.362 569.527 o 10 5 9 172.590 190.640 18.363 2.128 o 10 5 10 108.938 107.732 17.581 4.227 o 10 5 11 6.019 5.484 2.939 241.214 o 10 6 0 123.780 124.515 15.412 3.896 o 10 6 1 8.117 5.440 2.139 289.753 o 10 6 2 21.725 14.748 4.942 65.496 o 10 6 3 135.397 72.732 62.904 0.760 o 10 6 4 213.323 108.342 102.920 0.289 o 10 6 5 0.081 0.046 2.099 769.931 o 10 6 6 34.790 34.821 7.870 26.137 o 10 6 7 2.090 0.085 2.493 466.774 o 10 6 8 1.948 1.954 1.718 754.819 o 10 6 9 77.892 93.449 11.176 7.906 o 10 7 0 109.908 80.144 9.144 6.648 o 10 7 1 88.379 62.187 30.586 2.807 o 10 7 2 86.832 27.882 33.316 2.596 o 10 7 3 4.616 8.172 6.267 76.563 o 10 7 4 36.337 37.870 16.378 9.963 o 10 7 5 33.137 38.857 13.976 12.925 o 10 7 6 83.734 91.176 19.384 4.859 o 10 7 7 60.746 83.215 17.138 6.710 o 10 7 8 41.707 51.320 11.984 13.760 o 10 7 9 15.701 23.718 6.993 45.921 o 10 8 0 293.358 294.549 27.328 0.846 o 10 8 1 84.124 107.524 16.734 5.269 o 10 8 2 40.344 20.972 11.112 18.069 o 10 8 3 104.845 70.640 53.375 1.062 o 10 8 4 82.658 111.701 21.235 4.158 o 10 8 5 28.816 51.590 13.576 13.250 o 10 8 6 30.681 42.188 11.979 16.190 o 10 8 7 27.210 27.643 8.812 27.478 o 10 8 8 46.030 74.628 11.972 11.618 o 10 9 0 322.649 348.402 27.922 0.693 o 10 9 1 133.390 149.887 17.265 3.141 o 10 9 2 46.392 46.387 30.329 3.326 o 10 9 3 112.521 71.658 59.198 0.873 o 10 9 4 0.555 0.046 5.582 109.063 o 10 9 5 32.836 35.927 10.820 18.706 o 10 9 6 23.215 29.798 8.918 28.209 o 10 9 7 38.226 45.906 8.773 20.549 o 10 10 0 0.317 1.517 2.773 416.207 o 10 10 1 18.885 8.353 4.676 82.058 o 10 10 2 71.332 62.621 33.854 2.514 o 10 10 3 0.046 0.060 6.662 77.234 o 10 10 4 0.110 1.141 3.037 358.551 o 10 10 5 56.113 69.569 12.684 10.164 o 10 11 0 11.618 6.860 3.819 133.606 o 10 11 1 49.459 44.265 9.608 16.378 o 10 11 2 20.598 21.776 6.762 44.462 o 10 11 3 6.369 1.355 1.916 430.577 o 10 11 4 12.471 19.522 6.217 59.585 o 10 12 0 8.015 3.980 2.033 320.452 o 10 12 1 0.085 1.066 2.290 617.235 o 11 -16 0 7.114 6.600 5.827 83.949 o 11 -16 1 0.027 2.435 4.383 172.765 o 11 -16 2 7.552 14.871 8.447 41.645 o 11 -16 3 2.034 9.466 7.815 52.647 o 11 -16 4 5.932 7.094 6.918 63.531 o 11 -16 5 43.452 31.403 12.287 14.532 o 11 -16 6 10.693 10.066 7.424 51.302 o 11 -16 7 0.500 0.002 4.806 146.893 o 11 -16 8 0.636 0.024 5.612 107.813 o 11 -16 9 7.794 22.712 10.164 28.909 o 11 -16 10 4.074 14.982 7.921 48.581 o 11 -15 2 9.891 16.080 9.295 34.158 o 11 -15 3 10.996 7.958 6.177 69.769 o 11 -15 4 117.515 113.746 25.105 2.857 o 11 -15 5 7.947 14.858 9.453 34.042 o 11 -15 6 18.559 13.741 10.832 24.457 o 11 -15 7 14.552 12.930 9.292 33.041 o 11 -15 8 6.214 5.112 4.136 151.180 o 11 -15 9 5.219 6.047 4.086 156.783 o 11 -15 10 1.362 11.753 7.336 58.898 o 11 -15 11 23.398 48.421 14.296 12.989 o 11 -15 12 0.116 0.661 3.347 300.247 o 11 -14 0 7.080 19.063 9.923 30.874 o 11 -14 3 5.101 2.047 6.945 66.134 o 11 -14 4 0.827 3.453 3.564 243.663 o 11 -14 5 42.419 40.276 14.272 11.549 o 11 -14 6 34.192 24.603 13.636 14.092 o 11 -14 7 7.094 7.636 6.281 73.339 o 11 -14 8 13.834 24.261 11.338 22.543 o 11 -14 9 21.168 44.156 15.417 11.873 o 11 -14 10 4.837 23.301 11.101 25.272 o 11 -14 11 2.286 4.136 3.494 233.802 o 11 -14 12 3.224 1.605 3.093 289.969 o 11 -14 13 1.204 0.015 2.786 409.127 o 11 -13 0 0.886 6.213 8.986 41.342 o 11 -13 1 23.955 26.330 12.315 17.864 o 11 -13 4 12.680 16.679 14.084 15.895 o 11 -13 5 2.311 13.644 9.896 33.048 o 11 -13 6 69.590 82.228 25.783 3.750 o 11 -13 7 65.324 64.725 23.336 4.605 o 11 -13 8 36.896 41.730 18.371 8.182 o 11 -13 9 38.450 40.659 15.586 10.487 o 11 -13 10 0.299 6.537 7.406 60.375 o 11 -13 11 3.163 2.721 6.132 85.399 o 11 -13 12 0.014 3.700 4.820 141.673 o 11 -13 13 26.268 39.131 13.074 15.102 o 11 -13 14 72.901 125.938 22.843 3.885 o 11 -12 0 0.037 0.049 3.482 282.246 o 11 -12 1 19.083 36.968 11.225 20.525 o 11 -12 2 4.440 7.460 6.029 82.708 o 11 -12 3 9.349 13.111 6.118 69.490 o 11 -12 4 11.019 15.481 9.733 31.285 o 11 -12 5 69.998 63.512 16.350 7.108 o 11 -12 6 143.622 119.382 21.093 2.850 o 11 -12 7 2.036 3.574 3.241 271.382 o 11 -12 8 0.061 0.581 3.485 278.499 o 11 -12 9 0.463 0.150 6.096 91.638 o 11 -12 10 19.420 24.006 13.056 17.001 o 11 -12 11 6.571 6.323 4.824 115.796 o 11 -12 12 0.738 1.071 2.475 505.675 o 11 -12 13 22.020 26.494 11.675 19.758 o 11 -12 14 21.253 25.293 10.520 23.527 o 11 -11 0 57.406 104.462 19.739 5.400 o 11 -11 1 4.232 12.726 5.952 80.751 o 11 -11 2 0.698 2.607 5.998 92.627 o 11 -11 3 19.563 25.804 14.266 14.509 o 11 -11 4 3.837 1.357 5.007 124.101 o 11 -11 5 10.277 23.342 11.334 23.330 o 11 -11 6 10.001 27.613 10.896 24.578 o 11 -11 7 14.387 23.233 7.494 42.960 o 11 -11 8 42.116 36.083 10.827 16.757 o 11 -11 9 0.413 0.802 4.297 181.691 o 11 -11 10 11.290 7.562 6.962 57.573 o 11 -11 11 0.116 0.377 3.961 216.513 o 11 -11 12 2.989 1.894 2.081 524.986 o 11 -11 13 0.060 0.020 1.936 906.553 o 11 -11 14 10.071 10.352 3.708 137.044 o 11 -11 15 14.120 15.942 8.522 37.543 o 11 -10 0 128.303 176.160 22.770 2.503 o 11 -10 1 2.589 0.306 2.623 410.144 o 11 -10 2 129.142 156.930 19.290 2.955 o 11 -10 3 6.374 4.351 3.462 197.137 o 11 -10 4 5.523 3.778 6.016 84.166 o 11 -10 5 1.483 1.795 5.844 96.835 o 11 -10 6 83.926 99.212 19.068 4.807 o 11 -10 7 88.056 106.726 15.781 5.381 o 11 -10 8 28.601 30.555 6.880 34.373 o 11 -10 9 80.962 78.326 13.909 7.106 o 11 -10 10 6.672 5.099 6.278 75.648 o 11 -10 11 1.399 6.602 5.066 120.992 o 11 -10 12 15.462 9.834 4.897 84.229 o 11 -10 13 3.411 10.543 5.055 110.417 o 11 -10 14 14.878 28.538 6.449 49.286 o 11 -10 15 0.001 1.891 2.760 423.288 o 11 -9 0 27.143 22.753 8.473 29.944 o 11 -9 1 47.368 71.872 13.984 9.876 o 11 -9 2 83.282 104.916 15.647 5.666 o 11 -9 3 3.580 6.433 3.872 179.491 o 11 -9 4 10.389 6.456 2.415 220.454 o 11 -9 5 25.945 21.734 5.594 48.204 o 11 -9 6 222.948 208.742 22.108 1.456 o 11 -9 7 435.842 425.257 69.815 0.289 o 11 -9 8 121.462 121.604 20.874 3.252 o 11 -9 9 86.593 80.233 14.715 6.413 o 11 -9 10 6.107 8.324 5.228 100.550 o 11 -9 11 1.171 3.342 5.251 117.847 o 11 -9 12 41.667 29.055 7.949 24.264 o 11 -9 13 0.055 1.472 5.998 94.317 o 11 -9 14 0.427 12.078 7.450 57.767 o 11 -9 15 37.072 53.718 8.189 20.933 o 11 -8 0 57.798 71.269 14.311 8.793 o 11 -8 1 22.691 32.987 6.282 41.140 o 11 -8 2 111.475 97.588 10.565 5.718 o 11 -8 3 27.769 24.721 5.801 43.296 o 11 -8 4 0.027 0.546 2.052 786.452 o 11 -8 5 82.964 99.778 15.284 5.910 o 11 -8 6 90.533 62.238 16.753 5.950 o 11 -8 7 9.876 3.858 2.310 255.464 o 11 -8 8 28.174 33.342 8.553 26.917 o 11 -8 9 3.200 3.140 4.859 130.227 o 11 -8 10 1.786 0.726 2.700 406.873 o 11 -8 11 24.606 8.536 3.912 79.902 o 11 -8 12 19.861 12.440 3.530 94.596 o 11 -8 13 26.973 40.864 12.969 15.078 o 11 -8 14 12.531 31.407 7.978 37.958 o 11 -8 15 122.492 138.677 25.413 2.586 o 11 -8 16 0.773 0.340 8.949 42.580 o 11 -7 0 98.822 96.406 17.104 4.835 o 11 -7 1 335.752 338.500 26.944 0.682 o 11 -7 2 346.410 328.351 23.734 0.691 o 11 -7 3 0.034 0.196 2.942 393.384 o 11 -7 4 209.665 238.186 25.714 1.349 o 11 -7 5 168.297 179.906 15.181 2.416 o 11 -7 6 11.919 15.606 3.393 124.674 o 11 -7 7 1.616 3.028 2.615 401.145 o 11 -7 8 12.185 9.623 5.814 73.220 o 11 -7 9 15.923 8.163 4.773 87.721 o 11 -7 10 13.293 13.989 5.748 69.056 o 11 -7 11 19.711 13.454 5.045 68.993 o 11 -7 12 83.031 86.782 12.559 7.224 o 11 -7 13 0.449 5.723 8.891 42.424 o 11 -7 14 14.714 24.375 7.371 43.298 o 11 -7 15 2.417 0.135 4.387 166.681 o 11 -7 16 6.700 5.285 2.236 310.725 o 11 -6 0 64.690 43.723 12.627 10.665 o 11 -6 1 144.312 113.209 14.851 3.564 o 11 -6 2 32.623 50.194 12.373 14.610 o 11 -6 3 128.104 98.677 14.934 4.224 o 11 -6 4 27.512 15.936 5.083 54.008 o 11 -6 5 118.631 149.364 13.589 3.920 o 11 -6 6 22.337 27.746 7.396 36.659 o 11 -6 7 11.372 9.896 4.312 110.839 o 11 -6 8 43.355 45.899 6.747 23.109 o 11 -6 9 0.824 3.070 3.281 285.249 o 11 -6 10 41.637 47.516 10.123 16.897 o 11 -6 11 68.152 51.560 10.998 11.137 o 11 -6 12 4.430 0.316 2.258 444.653 o 11 -6 13 7.142 7.404 5.127 102.245 o 11 -6 14 5.511 10.025 5.816 84.033 o 11 -6 15 27.392 26.143 7.285 34.564 o 11 -5 0 6.687 9.358 5.253 97.175 o 11 -5 1 480.640 532.758 60.074 0.267 o 11 -5 2 18.979 32.639 12.295 18.196 o 11 -5 3 162.559 178.876 32.115 1.583 o 11 -5 4 41.210 56.863 20.229 6.585 o 11 -5 5 1.602 3.781 4.658 145.205 o 11 -5 6 0.291 0.057 4.093 202.874 o 11 -5 7 49.862 25.944 14.450 11.327 o 11 -5 8 188.954 183.232 17.447 2.023 o 11 -5 9 22.103 21.954 5.714 51.570 o 11 -5 10 5.476 4.711 3.700 184.779 o 11 -5 11 38.145 27.795 6.438 31.067 o 11 -5 12 29.991 25.050 5.517 42.696 o 11 -5 13 68.334 83.879 15.510 7.018 o 11 -5 14 0.436 2.740 2.525 468.160 o 11 -5 15 23.029 21.669 5.317 54.142 o 11 -4 0 52.716 36.497 8.869 17.676 o 11 -4 1 1041.920 1125.640 74.109 0.073 o 11 -4 2 32.075 40.413 11.456 17.090 o 11 -4 3 99.989 105.641 20.167 4.016 o 11 -4 4 106.272 89.550 22.326 3.663 o 11 -4 5 447.251 488.963 53.403 0.317 o 11 -4 6 161.675 144.690 27.174 1.988 o 11 -4 7 79.653 74.271 16.208 6.380 o 11 -4 8 5.568 7.132 4.576 127.932 o 11 -4 9 79.000 76.127 11.722 8.294 o 11 -4 10 1.567 2.379 4.827 138.392 o 11 -4 11 104.530 107.736 12.226 5.468 o 11 -4 12 0.208 5.669 3.353 265.821 o 11 -4 13 27.666 32.855 8.117 28.887 o 11 -4 14 63.095 84.530 11.930 9.239 o 11 -4 15 1.488 6.202 6.352 79.836 o 11 -3 0 654.881 662.155 114.823 0.118 o 11 -3 1 176.838 191.180 23.269 1.847 o 11 -3 2 12.325 15.693 9.020 35.051 o 11 -3 3 530.390 486.702 40.476 0.297 o 11 -3 4 51.325 15.046 9.385 19.893 o 11 -3 5 29.168 22.314 5.385 45.784 o 11 -3 6 46.841 53.057 11.163 13.903 o 11 -3 7 3.502 1.894 2.516 387.296 o 11 -3 8 376.553 436.914 32.226 0.493 o 11 -3 9 57.911 46.435 10.809 13.099 o 11 -3 10 1.271 0.034 4.483 165.190 o 11 -3 11 15.585 9.677 3.031 132.001 o 11 -3 12 10.514 3.872 2.767 210.207 o 11 -3 13 110.742 155.592 37.256 1.676 o 11 -3 14 65.755 124.560 15.114 6.205 o 11 -2 0 18.559 21.215 7.339 41.882 o 11 -2 1 630.824 657.588 55.175 0.189 o 11 -2 2 16.608 7.796 6.958 52.534 o 11 -2 3 127.610 132.024 23.097 2.798 o 11 -2 4 63.538 58.853 14.263 8.861 o 11 -2 5 98.445 87.728 12.798 6.162 o 11 -2 6 18.495 23.518 5.387 58.509 o 11 -2 7 36.888 43.828 7.557 24.266 o 11 -2 8 93.923 109.842 14.662 5.348 o 11 -2 9 36.167 35.399 8.586 23.388 o 11 -2 10 5.627 3.652 3.914 172.282 o 11 -2 11 24.003 13.812 12.712 17.853 o 11 -2 12 0.719 1.929 2.118 638.915 o 11 -2 13 5.737 17.625 5.142 92.589 o 11 -2 14 0.520 0.927 2.672 448.837 o 11 -1 0 424.592 471.783 116.506 0.165 o 11 -1 1 141.144 180.443 38.661 1.394 o 11 -1 2 177.552 220.194 24.915 1.649 o 11 -1 3 11.056 17.834 7.889 43.689 o 11 -1 4 153.939 178.610 25.109 2.027 o 11 -1 5 25.439 20.556 7.676 35.371 o 11 -1 6 31.404 47.107 9.552 20.588 o 11 -1 7 12.361 6.037 3.702 136.539 o 11 -1 8 11.510 17.393 5.563 72.228 o 11 -1 9 1.444 1.680 5.122 124.941 o 11 -1 10 32.742 15.022 7.163 35.327 o 11 -1 11 33.901 17.828 13.448 14.831 o 11 -1 12 13.704 7.099 5.638 76.050 o 11 -1 13 18.929 12.544 4.465 80.563 o 11 -1 14 2.697 0.508 2.916 339.360 o 11 0 0 631.419 636.084 187.235 0.069 o 11 0 1 0.407 3.980 6.179 86.923 o 11 0 2 39.349 24.894 10.250 19.772 o 11 0 3 60.216 53.278 15.125 8.752 o 11 0 4 97.277 122.003 15.200 4.844 o 11 0 5 98.352 125.796 16.114 4.553 o 11 0 6 3.938 5.376 5.574 97.823 o 11 0 7 143.506 139.993 28.417 2.093 o 11 0 8 4.555 0.805 4.660 139.623 o 11 0 9 18.217 16.438 12.426 19.200 o 11 0 10 89.578 82.737 21.549 4.276 o 11 0 11 9.162 0.571 7.790 51.350 o 11 0 12 24.517 21.757 5.648 49.398 o 11 0 13 3.275 0.769 1.781 658.941 o 11 1 0 23.873 14.130 10.972 22.718 o 11 1 1 11.416 11.009 8.636 39.182 o 11 1 2 60.618 55.765 16.019 8.068 o 11 1 3 35.931 38.571 10.336 18.767 o 11 1 4 1.265 5.896 3.411 244.818 o 11 1 5 24.645 29.200 8.549 29.294 o 11 1 6 94.824 70.373 15.031 6.132 o 11 1 7 64.549 65.883 19.063 6.093 o 11 1 8 25.946 15.784 6.242 46.350 o 11 1 9 196.368 175.269 29.434 1.498 o 11 1 10 0.221 0.250 6.298 86.106 o 11 1 11 28.534 63.273 14.347 11.694 o 11 1 12 7.504 3.090 4.263 143.059 o 11 1 13 0.734 6.626 4.236 169.688 o 11 2 0 106.894 104.455 32.989 2.185 o 11 2 1 119.577 101.637 34.569 1.970 o 11 2 2 1.403 0.767 3.405 273.784 o 11 2 3 0.766 0.175 1.795 937.926 o 11 2 4 97.662 82.166 12.927 6.326 o 11 2 5 122.315 113.818 15.592 4.069 o 11 2 6 0.148 0.561 3.546 268.203 o 11 2 7 83.091 79.984 14.561 6.671 o 11 2 8 100.356 94.570 24.193 3.412 o 11 2 9 31.234 22.653 11.636 18.505 o 11 2 10 132.474 182.621 29.811 1.910 o 11 2 11 112.255 199.710 27.450 2.179 o 11 2 12 0.001 9.264 5.870 92.475 o 11 3 0 153.546 135.780 16.476 2.953 o 11 3 1 33.727 40.966 10.586 18.466 o 11 3 2 46.901 48.626 8.987 17.425 o 11 3 3 262.921 312.251 27.386 0.914 o 11 3 4 20.729 24.747 6.435 45.552 o 11 3 5 325.215 337.898 27.391 0.703 o 11 3 6 215.270 249.628 23.953 1.328 o 11 3 7 33.788 36.841 10.884 18.268 o 11 3 8 26.035 10.368 1.850 99.540 o 11 3 9 0.428 0.037 5.982 95.275 o 11 3 10 85.582 127.672 21.615 3.826 o 11 3 11 2.204 8.515 5.026 117.717 o 11 3 12 2.784 0.983 2.787 358.548 o 11 4 0 72.344 64.489 9.681 10.729 o 11 4 1 0.640 0.461 2.437 537.346 o 11 4 2 5.295 6.755 3.965 161.587 o 11 4 3 341.254 339.539 41.093 0.563 o 11 4 4 95.489 115.008 18.020 4.437 o 11 4 5 36.907 69.982 15.096 9.918 o 11 4 6 157.344 193.844 20.849 2.158 o 11 4 7 30.900 36.253 7.467 28.977 o 11 4 8 19.419 16.690 5.683 58.764 o 11 4 9 0.203 4.220 4.660 149.494 o 11 4 10 81.721 97.941 17.297 5.395 o 11 4 11 17.896 18.116 6.432 51.716 o 11 5 0 57.904 28.572 13.026 11.891 o 11 5 1 7.199 13.428 4.245 122.415 o 11 5 2 36.276 9.392 18.500 8.812 o 11 5 3 1.606 0.074 2.003 704.175 o 11 5 4 13.736 15.551 5.582 69.692 o 11 5 5 140.286 198.699 21.672 2.284 o 11 5 6 141.496 170.621 18.391 2.703 o 11 5 7 10.761 7.733 2.545 199.911 o 11 5 8 12.977 12.514 5.210 80.525 o 11 5 9 250.745 334.709 21.727 0.991 o 11 6 0 0.353 0.008 2.217 673.428 o 11 6 1 11.672 7.636 8.886 37.917 o 11 6 2 9.384 12.974 14.790 14.875 o 11 6 3 3.023 10.143 8.940 40.364 o 11 6 4 21.130 23.283 10.845 22.719 o 11 6 5 125.443 154.469 19.207 3.055 o 11 6 6 39.403 35.468 8.924 21.442 o 11 6 7 6.345 10.125 3.328 182.224 o 11 6 8 12.098 15.885 6.652 56.601 o 11 7 0 150.761 163.470 18.247 2.622 o 11 7 1 76.489 56.520 38.805 1.980 o 11 7 2 57.877 43.321 32.486 2.870 o 11 7 3 28.369 26.526 10.854 20.654 o 11 7 4 37.088 43.161 12.255 14.652 o 11 7 5 8.233 8.666 5.152 97.174 o 11 7 6 7.121 5.768 4.449 130.139 o 11 7 7 69.230 87.024 15.198 7.012 o 11 8 0 307.935 306.494 25.428 0.806 o 11 8 1 87.510 72.888 55.447 1.015 o 11 8 2 7.876 0.169 5.363 101.691 o 11 8 3 19.148 24.101 9.099 30.146 o 11 8 4 6.714 11.494 5.519 87.657 o 11 8 5 26.528 23.089 7.951 32.602 o 11 8 6 66.930 95.392 15.034 6.972 o 11 9 0 30.677 30.645 6.961 32.671 o 11 9 1 71.135 61.737 35.266 2.350 o 11 9 2 15.533 19.834 9.486 30.371 o 11 9 3 0.017 4.928 2.926 346.775 o 11 9 4 27.318 30.028 10.163 22.444 o 11 9 5 32.883 54.810 11.677 15.304 o 11 10 0 0.011 3.298 2.752 406.280 o 11 10 1 16.721 18.275 5.354 65.754 o 11 10 2 5.808 2.735 1.938 421.117 o 11 10 3 20.394 18.362 6.058 52.511 o 11 10 4 2.814 3.453 1.047 930.823 o 11 11 0 0.109 2.683 2.942 364.515 o 11 11 1 4.593 8.507 4.525 131.318 o 11 11 2 1.361 0.074 2.583 463.697 o 12 -16 2 0.086 0.893 2.647 471.631 o 12 -16 3 0.615 0.354 2.244 630.534 o 12 -16 4 0.218 5.760 5.723 99.600 o 12 -16 5 5.142 1.492 3.098 262.241 o 12 -16 6 0.080 1.913 3.075 343.378 o 12 -16 7 0.067 6.959 5.634 101.780 o 12 -15 0 2.063 17.278 8.573 42.544 o 12 -15 1 20.726 24.951 8.662 31.447 o 12 -15 2 17.007 24.344 11.052 22.840 o 12 -15 3 10.637 4.643 5.229 94.088 o 12 -15 4 63.975 63.193 15.787 7.760 o 12 -15 5 2.758 0.276 5.282 116.405 o 12 -15 6 10.133 15.782 6.741 57.584 o 12 -15 7 10.226 1.923 2.062 290.386 o 12 -15 8 0.952 6.182 6.594 74.983 o 12 -15 9 0.086 3.909 6.290 84.412 o 12 -15 10 3.096 1.130 2.697 368.585 o 12 -14 1 0.001 1.888 3.465 274.676 o 12 -14 2 22.866 25.477 12.267 18.214 o 12 -14 3 0.003 6.544 7.056 66.507 o 12 -14 4 0.373 4.403 7.468 60.021 o 12 -14 5 0.442 0.363 4.330 179.917 o 12 -14 6 24.793 28.188 13.320 15.536 o 12 -14 7 30.468 30.772 12.457 16.225 o 12 -14 8 1.224 0.150 2.556 475.892 o 12 -14 9 7.001 27.196 12.766 19.064 o 12 -14 10 0.928 8.592 6.803 69.567 o 12 -14 11 0.024 0.054 5.414 116.934 o 12 -13 0 1.274 3.861 2.839 349.368 o 12 -13 1 9.363 7.426 3.868 141.823 o 12 -13 2 27.038 32.733 10.679 20.716 o 12 -13 3 2.264 4.796 3.970 186.184 o 12 -13 4 7.740 10.876 6.094 73.834 o 12 -13 5 4.795 4.711 3.533 203.533 o 12 -13 6 1.967 2.582 2.228 507.992 o 12 -13 7 1.049 0.428 2.510 493.472 o 12 -13 8 22.239 31.227 10.934 21.284 o 12 -13 9 2.769 10.811 4.145 153.725 o 12 -13 10 0.129 1.119 2.235 641.870 o 12 -13 11 5.401 0.362 2.026 464.809 o 12 -13 12 7.280 8.473 4.923 106.943 o 12 -12 0 1.518 0.993 2.163 597.229 o 12 -12 1 4.718 6.871 5.268 104.372 o 12 -12 2 29.349 24.195 11.132 19.961 o 12 -12 3 1.857 11.018 8.652 43.216 o 12 -12 4 1.658 8.470 6.480 75.430 o 12 -12 5 18.042 25.909 8.258 34.685 o 12 -12 6 31.885 40.875 10.541 18.984 o 12 -12 7 51.127 42.031 11.856 13.232 o 12 -12 8 14.241 13.571 6.705 54.928 o 12 -12 9 5.783 4.833 4.141 153.870 o 12 -12 10 3.948 4.398 6.706 70.545 o 12 -12 11 9.217 6.895 4.149 131.585 o 12 -12 12 0.873 0.533 2.044 720.003 o 12 -12 13 21.994 40.840 11.199 19.589 o 12 -11 0 4.743 2.971 5.616 97.314 o 12 -11 1 1.295 7.107 6.344 79.719 o 12 -11 2 7.064 2.004 5.855 87.221 o 12 -11 3 17.270 6.572 4.384 94.845 o 12 -11 4 4.772 8.686 7.135 60.435 o 12 -11 5 9.646 16.587 6.964 54.852 o 12 -11 6 4.917 1.560 2.190 420.975 o 12 -11 7 42.014 24.235 8.303 24.076 o 12 -11 8 2.010 0.117 1.669 883.159 o 12 -11 9 17.110 22.648 7.741 39.462 o 12 -11 10 22.849 21.390 7.196 39.718 o 12 -11 11 1.179 0.044 2.224 616.430 o 12 -11 12 10.549 11.961 10.469 28.083 o 12 -11 13 0.645 2.866 2.062 640.715 o 12 -11 14 27.378 45.963 12.050 16.289 o 12 -10 0 44.274 69.434 12.687 11.454 o 12 -10 1 18.107 11.376 4.213 88.875 o 12 -10 2 0.243 0.174 5.970 95.821 o 12 -10 3 126.823 155.141 22.126 2.732 o 12 -10 4 0.725 2.538 4.971 133.138 o 12 -10 5 10.012 18.628 11.361 23.720 o 12 -10 6 0.001 4.594 6.050 90.699 o 12 -10 7 72.046 84.883 15.233 6.896 o 12 -10 8 0.568 1.695 3.306 294.015 o 12 -10 9 9.496 11.026 3.692 138.958 o 12 -10 10 5.271 5.417 3.712 182.834 o 12 -10 11 8.000 3.192 2.876 236.380 o 12 -10 12 46.380 59.293 14.113 10.429 o 12 -10 13 6.465 15.263 7.197 55.352 o 12 -10 14 1.782 7.025 6.380 78.353 o 12 -9 0 47.695 93.810 24.112 4.451 o 12 -9 1 4.424 2.906 5.131 115.127 o 12 -9 2 1.653 0.832 3.271 290.750 o 12 -9 3 2.812 2.127 1.863 608.178 o 12 -9 4 38.118 20.661 20.014 7.426 o 12 -9 5 0.010 4.044 7.742 56.234 o 12 -9 6 254.625 279.714 27.133 1.007 o 12 -9 7 70.795 74.349 13.298 8.247 o 12 -9 8 60.744 95.459 15.298 7.220 o 12 -9 9 0.170 1.406 4.469 168.010 o 12 -9 10 0.094 1.065 2.084 736.050 o 12 -9 11 4.545 5.488 3.346 218.965 o 12 -9 12 52.015 62.380 10.197 13.426 o 12 -9 13 3.091 10.678 6.425 73.600 o 12 -9 14 22.226 26.805 7.610 35.799 o 12 -8 0 80.466 101.409 27.239 3.174 o 12 -8 1 104.955 86.240 11.845 6.096 o 12 -8 2 1.527 3.526 3.700 221.328 o 12 -8 3 78.387 77.945 9.283 9.434 o 12 -8 4 4.277 5.486 2.976 261.166 o 12 -8 5 6.849 8.244 6.031 78.413 o 12 -8 6 124.706 108.231 19.569 3.499 o 12 -8 7 16.136 38.915 11.807 19.353 o 12 -8 8 65.329 81.318 15.186 7.425 o 12 -8 9 0.565 0.453 3.620 253.985 o 12 -8 10 0.082 1.305 2.784 422.340 o 12 -8 11 52.170 59.898 10.384 13.403 o 12 -8 12 0.047 1.680 3.235 314.134 o 12 -8 13 0.070 4.812 4.796 140.979 o 12 -8 14 22.802 51.871 11.382 17.905 o 12 -7 0 54.321 55.677 13.842 10.095 o 12 -7 1 184.758 228.660 20.351 1.728 o 12 -7 2 5.374 11.458 4.999 105.643 o 12 -7 3 5.306 1.593 2.826 295.381 o 12 -7 4 191.259 207.970 26.688 1.528 o 12 -7 5 5.533 12.260 6.698 64.932 o 12 -7 6 73.687 31.864 26.445 3.936 o 12 -7 7 2.752 3.284 4.401 156.910 o 12 -7 8 10.600 20.097 7.385 47.920 o 12 -7 9 8.907 4.557 3.684 162.332 o 12 -7 10 81.749 80.754 13.384 7.190 o 12 -7 11 12.568 4.796 1.761 243.077 o 12 -7 12 14.748 17.492 5.610 66.042 o 12 -7 13 2.541 15.288 5.921 82.121 o 12 -7 14 15.352 21.449 7.098 46.247 o 12 -6 0 287.010 307.483 25.259 0.869 o 12 -6 1 71.910 81.755 14.583 7.282 o 12 -6 2 7.439 3.165 3.177 216.038 o 12 -6 3 115.681 121.267 16.954 3.945 o 12 -6 4 23.764 36.690 9.067 26.115 o 12 -6 5 126.876 112.310 24.161 2.841 o 12 -6 6 191.636 199.439 33.879 1.298 o 12 -6 7 65.121 58.937 21.673 5.205 o 12 -6 8 0.545 3.060 7.692 56.925 o 12 -6 9 4.659 3.578 2.377 360.227 o 12 -6 10 46.238 44.406 8.595 18.804 o 12 -6 11 1.992 3.263 4.270 169.441 o 12 -6 12 0.003 0.585 2.095 756.183 o 12 -6 13 2.670 3.397 7.209 63.017 o 12 -6 14 25.563 32.600 7.084 34.690 o 12 -5 0 10.639 9.602 4.604 104.980 o 12 -5 1 308.524 296.317 26.662 0.806 o 12 -5 2 0.270 1.209 3.425 281.684 o 12 -5 3 5.622 4.524 2.760 273.778 o 12 -5 4 0.837 3.289 4.854 137.837 o 12 -5 5 46.916 29.967 7.847 22.373 o 12 -5 6 46.269 39.693 8.029 20.556 o 12 -5 7 212.075 215.497 35.336 1.131 o 12 -5 8 0.030 0.218 3.352 303.485 o 12 -5 9 0.821 0.572 3.293 300.500 o 12 -5 10 34.450 35.224 8.112 25.444 o 12 -5 11 23.919 33.986 6.645 37.640 o 12 -5 12 0.137 13.260 12.101 22.793 o 12 -5 13 0.000 0.141 7.352 63.428 o 12 -5 14 0.930 3.025 2.846 364.493 o 12 -4 0 372.782 369.210 22.791 0.598 o 12 -4 1 21.374 26.403 7.755 35.603 o 12 -4 2 161.158 167.412 16.030 2.575 o 12 -4 3 28.894 27.587 4.710 47.376 o 12 -4 4 39.142 27.968 6.836 29.056 o 12 -4 5 81.740 80.527 14.073 6.923 o 12 -4 6 2.004 0.125 3.640 239.165 o 12 -4 7 2.095 1.968 5.801 97.099 o 12 -4 8 7.618 6.348 5.322 96.521 o 12 -4 9 84.941 89.355 14.159 6.446 o 12 -4 10 6.611 3.741 1.767 404.088 o 12 -4 11 0.936 3.111 5.253 118.594 o 12 -4 12 12.655 9.141 4.299 107.965 o 12 -4 13 15.961 22.473 6.866 47.356 o 12 -4 14 1.288 8.255 6.061 85.996 o 12 -3 0 386.114 365.258 31.148 0.536 o 12 -3 1 170.601 182.879 16.983 2.271 o 12 -3 2 2.238 1.426 2.538 426.298 o 12 -3 3 16.995 23.265 7.080 44.319 o 12 -3 4 0.407 0.521 3.507 271.444 o 12 -3 5 0.120 1.460 1.838 900.002 o 12 -3 6 27.252 18.527 6.779 40.199 o 12 -3 7 1.813 3.990 4.089 182.027 o 12 -3 8 44.232 58.457 10.907 14.213 o 12 -3 9 12.830 6.871 4.137 116.609 o 12 -3 10 25.821 44.159 12.703 15.474 o 12 -3 11 48.922 36.659 13.531 11.891 o 12 -3 12 18.394 16.092 5.678 60.697 o 12 -3 13 39.898 61.594 7.941 19.301 o 12 -2 0 92.694 116.634 16.680 4.791 o 12 -2 1 187.855 244.451 25.666 1.465 o 12 -2 2 65.831 68.720 10.037 11.057 o 12 -2 3 53.058 52.671 7.195 17.910 o 12 -2 4 48.908 31.996 7.375 22.319 o 12 -2 5 0.041 1.315 3.025 360.794 o 12 -2 6 2.569 1.124 3.603 233.503 o 12 -2 7 1.359 0.328 2.668 433.567 o 12 -2 8 37.347 33.361 8.297 24.133 o 12 -2 9 2.064 5.775 4.989 123.632 o 12 -2 10 2.116 0.839 4.664 148.388 o 12 -2 11 109.215 112.163 31.393 2.284 o 12 -2 12 7.635 8.473 4.732 112.313 o 12 -2 13 7.293 13.322 7.434 52.535 o 12 -1 0 163.124 180.984 28.329 1.758 o 12 -1 1 212.273 196.824 36.147 1.145 o 12 -1 2 12.517 0.711 5.022 100.139 o 12 -1 3 171.009 161.789 19.491 2.265 o 12 -1 4 87.993 118.716 13.677 5.664 o 12 -1 5 50.951 33.375 7.352 21.377 o 12 -1 6 51.554 64.352 14.042 9.792 o 12 -1 7 22.074 13.976 14.053 15.222 o 12 -1 8 10.704 2.969 4.622 115.148 o 12 -1 9 42.126 60.984 11.675 13.383 o 12 -1 10 12.890 7.148 6.050 69.859 o 12 -1 11 17.878 0.264 4.156 109.274 o 12 -1 12 8.861 0.082 2.360 304.682 o 12 -1 13 13.739 2.495 1.259 271.873 o 12 0 0 113.637 88.746 13.926 5.123 o 12 0 1 4.694 5.109 4.054 164.343 o 12 0 2 0.009 0.017 4.556 165.181 o 12 0 3 8.778 7.333 4.512 118.217 o 12 0 4 0.791 1.776 2.415 510.984 o 12 0 5 205.012 245.691 33.278 1.151 o 12 0 7 90.398 86.331 25.629 3.407 o 12 0 8 109.444 159.665 30.727 2.133 o 12 0 9 21.136 23.319 13.454 15.999 o 12 0 10 7.736 3.684 4.186 144.425 o 12 0 11 0.046 16.071 8.734 42.178 o 12 0 12 31.022 26.426 10.562 20.830 o 12 1 0 27.860 24.856 10.242 22.756 o 12 1 1 282.768 257.641 32.482 0.868 o 12 1 2 0.032 1.172 3.315 303.520 o 12 1 3 0.017 0.996 3.560 265.230 o 12 1 4 0.002 2.140 5.482 112.081 o 12 1 5 90.684 107.434 19.613 4.353 o 12 1 6 0.004 2.877 3.430 274.084 o 12 1 7 52.651 79.543 20.751 5.602 o 12 1 8 61.721 82.756 19.655 5.655 o 12 1 9 41.956 58.676 17.994 7.795 o 12 1 10 12.442 14.739 8.916 35.884 o 12 1 11 6.475 7.169 5.634 89.436 o 12 1 12 94.644 126.877 17.485 4.388 o 12 2 0 60.883 56.494 34.766 2.487 o 12 2 1 370.773 379.880 30.662 0.552 o 12 2 2 129.877 151.995 21.411 2.778 o 12 2 3 15.381 10.498 8.116 41.380 o 12 2 4 5.671 11.525 8.708 41.037 o 12 2 5 10.776 5.152 6.195 71.690 o 12 2 6 80.812 87.461 16.581 5.878 o 12 2 7 112.684 139.419 17.649 3.683 o 12 2 8 2.536 15.203 7.658 52.519 o 12 2 9 9.622 12.862 7.286 52.644 o 12 2 10 113.533 139.769 21.606 3.138 o 12 2 11 0.044 1.354 3.083 347.603 o 12 3 0 218.515 246.425 27.620 1.230 o 12 3 1 215.003 277.451 33.928 1.034 o 12 3 2 133.608 157.731 28.528 2.095 o 12 3 3 174.692 225.487 33.962 1.314 o 12 3 4 1.652 1.882 2.977 334.301 o 12 3 5 0.445 1.514 2.185 635.871 o 12 3 6 63.196 80.640 14.914 7.720 o 12 3 7 89.724 88.896 13.294 6.475 o 12 3 8 39.221 54.840 16.756 8.921 o 12 3 9 39.291 58.338 14.139 11.119 o 12 3 10 17.874 22.488 7.888 38.037 o 12 4 0 43.104 27.834 13.201 13.488 o 12 4 1 0.524 4.199 6.288 83.762 o 12 4 2 3.145 4.753 4.033 175.974 o 12 4 3 1.099 1.318 4.832 141.332 o 12 4 4 54.815 60.499 12.193 11.208 o 12 4 5 13.816 25.498 6.453 51.907 o 12 4 6 302.030 381.643 28.566 0.697 o 12 4 7 0.066 0.104 2.833 424.263 o 12 4 8 2.765 5.796 3.754 196.937 o 12 4 9 15.313 9.718 5.114 80.415 o 12 5 0 192.950 174.422 28.381 1.564 o 12 5 1 271.500 257.918 37.527 0.825 o 12 5 2 39.229 28.148 6.760 29.216 o 12 5 3 0.001 4.123 2.268 550.016 o 12 5 4 19.433 30.312 8.550 31.375 o 12 5 5 262.997 334.505 25.719 0.898 o 12 5 6 39.876 42.707 9.176 19.682 o 12 5 7 0.039 0.243 1.996 844.535 o 12 5 8 21.499 21.314 5.214 57.525 o 12 6 0 25.549 26.170 5.475 47.028 o 12 6 1 33.550 17.918 9.959 23.013 o 12 6 2 75.327 59.515 16.913 6.675 o 12 6 3 0.173 0.898 3.493 274.118 o 12 6 4 20.068 32.851 11.670 19.545 o 12 6 5 36.015 42.089 10.420 18.175 o 12 6 6 7.088 5.132 2.397 285.099 o 12 6 7 4.389 10.123 5.164 104.607 o 12 7 0 154.948 175.468 28.870 1.814 o 12 7 1 8.744 16.742 9.213 34.989 o 12 7 2 12.866 16.409 9.580 31.381 o 12 7 3 47.190 39.928 12.615 12.981 o 12 7 4 0.145 0.414 4.190 193.460 o 12 7 5 39.007 35.267 10.367 18.377 o 12 7 6 68.480 97.430 15.276 6.725 o 12 8 0 8.139 9.949 7.722 49.796 o 12 8 1 81.546 73.251 17.451 5.860 o 12 8 2 0.431 0.248 3.866 225.251 o 12 8 3 1.295 0.042 3.167 320.234 o 12 8 4 58.766 57.150 12.583 10.617 o 12 8 5 30.357 47.112 9.392 21.273 o 12 9 0 9.613 15.685 7.049 54.268 o 12 9 1 23.225 28.539 8.541 30.103 o 12 9 2 0.225 0.394 2.190 684.975 o 12 9 3 49.237 70.484 13.355 10.274 o 12 9 4 0.001 2.073 2.690 441.470 o 12 10 0 6.212 8.730 4.869 111.570 o 12 10 1 6.747 14.857 6.289 68.884 o 12 10 2 0.516 1.934 0.952 2042.340 o 13 -15 2 0.695 0.013 2.177 673.161 o 13 -15 3 9.907 23.893 8.727 36.250 o 13 -15 4 2.894 1.240 2.420 439.804 o 13 -15 5 0.069 0.347 1.803 1017.720 o 13 -15 6 18.321 30.991 10.191 24.702 o 13 -15 7 16.443 25.663 9.065 31.084 o 13 -14 0 6.923 7.082 6.842 63.804 o 13 -14 1 2.050 1.886 3.914 202.405 o 13 -14 2 0.004 7.641 5.887 93.231 o 13 -14 3 1.136 5.642 6.153 85.600 o 13 -14 4 0.517 1.557 4.881 140.060 o 13 -14 5 0.292 0.001 1.745 1074.330 o 13 -14 6 13.202 21.885 8.757 35.018 o 13 -14 7 8.557 16.043 8.818 37.962 o 13 -14 8 4.900 1.039 3.420 230.868 o 13 -14 9 2.633 12.060 7.827 51.386 o 13 -13 0 1.641 2.569 1.996 615.178 o 13 -13 1 6.082 2.889 4.308 147.841 o 13 -13 2 19.057 38.148 8.524 29.891 o 13 -13 3 1.199 7.265 4.788 133.494 o 13 -13 4 10.817 3.712 3.413 167.237 o 13 -13 5 26.899 21.132 7.057 37.793 o 13 -13 6 7.374 3.589 4.087 151.771 o 13 -13 7 0.001 0.016 3.308 313.430 o 13 -13 8 6.161 13.626 7.730 49.796 o 13 -13 9 14.767 4.663 7.070 54.333 o 13 -13 10 0.121 1.180 2.537 504.626 o 13 -13 11 6.927 9.406 4.518 120.999 o 13 -12 0 0.494 2.365 2.597 449.973 o 13 -12 1 0.636 5.594 5.157 120.399 o 13 -12 2 5.449 8.892 4.441 130.908 o 13 -12 3 7.835 17.248 7.022 55.498 o 13 -12 4 15.565 16.147 7.150 47.792 o 13 -12 5 0.271 2.214 1.927 774.721 o 13 -12 6 6.881 3.688 3.025 233.333 o 13 -12 7 13.560 15.096 5.593 70.197 o 13 -12 8 0.010 1.372 2.714 444.474 o 13 -12 9 1.672 0.003 1.818 819.967 o 13 -12 10 4.529 0.882 1.457 687.578 o 13 -12 11 39.955 24.461 9.615 21.211 o 13 -11 0 10.810 11.115 7.341 51.742 o 13 -11 1 12.005 3.635 3.342 162.676 o 13 -11 2 0.441 2.239 3.090 330.951 o 13 -11 3 0.127 1.981 3.534 262.597 o 13 -11 4 51.548 58.043 13.010 10.974 o 13 -11 5 28.454 23.455 8.433 29.371 o 13 -11 6 36.256 49.699 8.330 21.550 o 13 -11 7 51.726 70.862 11.029 12.002 o 13 -11 8 1.034 3.435 2.590 418.458 o 13 -11 9 8.837 5.296 3.370 178.906 o 13 -11 10 3.526 0.047 3.718 217.211 o 13 -11 11 5.040 0.131 2.965 291.980 o 13 -11 12 1.926 5.504 2.602 363.187 o 13 -10 0 1.397 0.238 3.786 226.875 o 13 -10 1 159.983 174.358 23.187 2.102 o 13 -10 2 0.260 3.705 3.668 235.337 o 13 -10 3 1.539 3.439 2.553 412.810 o 13 -10 4 54.203 68.207 14.383 9.152 o 13 -10 5 0.150 1.450 4.013 207.243 o 13 -10 6 10.178 11.132 6.618 61.722 o 13 -10 7 1.173 4.598 5.030 126.056 o 13 -10 8 23.356 39.095 8.577 27.624 o 13 -10 9 24.137 36.003 7.857 30.921 o 13 -10 10 0.156 0.902 2.126 710.596 o 13 -10 11 4.363 10.880 4.105 147.474 o 13 -10 12 4.930 5.657 3.959 167.431 o 13 -10 13 0.237 0.039 2.176 705.607 o 13 -9 0 131.272 142.920 27.478 2.273 o 13 -9 1 16.741 14.769 11.167 23.503 o 13 -9 2 53.947 47.496 20.459 6.201 o 13 -9 3 0.018 0.313 7.032 69.260 o 13 -9 4 4.813 4.247 6.447 74.933 o 13 -9 5 93.914 128.781 20.890 3.754 o 13 -9 6 181.404 248.457 30.792 1.327 o 13 -9 7 11.050 34.174 8.611 34.054 o 13 -9 8 1.747 5.367 4.505 150.393 o 13 -9 9 47.419 66.500 10.381 13.645 o 13 -9 10 1.068 0.379 2.568 473.607 o 13 -9 11 1.448 0.878 2.978 347.722 o 13 -9 12 15.990 28.055 8.004 36.759 o 13 -9 13 17.840 35.010 13.036 16.542 o 13 -8 0 101.531 89.738 29.186 2.711 o 13 -8 1 31.402 35.691 10.126 20.714 o 13 -8 2 2.634 2.949 3.724 212.048 o 13 -8 3 1.203 2.944 3.965 199.859 o 13 -8 4 3.980 6.444 4.417 143.416 o 13 -8 5 202.714 219.818 79.972 0.423 o 13 -8 6 118.925 142.270 28.474 2.318 o 13 -8 7 4.694 3.478 2.140 406.439 o 13 -8 8 25.973 38.250 7.288 31.793 o 13 -8 9 7.666 3.249 1.720 383.052 o 13 -8 10 0.386 1.931 2.791 404.045 o 13 -8 11 33.984 43.026 8.359 23.421 o 13 -8 12 13.976 22.794 6.699 50.642 o 13 -8 13 6.135 10.177 9.670 33.933 o 13 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8.955 o 13 -4 12 0.221 1.463 1.966 787.769 o 13 -3 0 8.589 12.166 5.134 92.510 o 13 -3 1 11.875 9.451 2.017 205.212 o 13 -3 2 66.004 71.965 10.852 10.272 o 13 -3 3 6.853 6.595 3.625 172.996 o 13 -3 4 14.808 13.080 8.164 40.585 o 13 -3 5 9.809 5.811 5.320 92.217 o 13 -3 6 4.079 1.907 4.465 150.159 o 13 -3 7 138.327 168.497 22.547 2.438 o 13 -3 8 8.980 19.006 6.159 65.268 o 13 -3 9 26.664 35.626 7.765 30.120 o 13 -3 10 119.807 169.019 24.355 2.525 o 13 -3 11 11.416 16.897 5.597 72.247 o 13 -3 12 5.922 11.584 5.112 100.482 o 13 -2 0 112.841 124.068 23.744 3.017 o 13 -2 1 650.804 695.258 75.657 0.155 o 13 -2 2 74.249 74.535 13.101 8.073 o 13 -2 3 0.407 0.866 3.179 325.678 o 13 -2 4 25.127 16.333 8.311 33.220 o 13 -2 5 8.935 3.608 6.020 79.014 o 13 -2 6 230.565 265.459 34.340 0.992 o 13 -2 7 83.919 108.149 17.404 5.087 o 13 -2 8 25.091 23.922 5.910 45.615 o 13 -2 9 100.249 152.181 20.811 3.379 o 13 -2 10 9.079 15.701 9.127 35.629 o 13 -2 11 70.180 61.679 15.019 7.830 o 13 -2 12 0.226 0.260 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0.215 2.471 553.348 o 15 -8 4 3.854 7.484 8.344 46.157 o 15 -8 5 9.242 14.215 8.474 40.743 o 15 -8 6 30.437 47.453 19.514 7.550 o 15 -8 7 77.314 125.569 28.687 2.847 o 15 -8 8 15.926 23.643 10.971 23.431 o 15 -8 9 0.085 1.938 2.328 575.462 o 15 -8 10 2.025 4.680 6.376 79.536 o 15 -7 0 8.740 17.083 6.484 61.931 o 15 -7 1 78.555 58.303 20.921 5.076 o 15 -7 2 46.058 25.215 9.628 19.423 o 15 -7 3 14.565 17.085 8.933 34.377 o 15 -7 4 18.059 6.251 4.453 91.457 o 15 -7 5 1.636 3.651 2.596 396.535 o 15 -7 6 18.867 11.428 3.382 103.063 o 15 -7 7 13.997 21.263 7.719 42.097 o 15 -7 8 4.426 6.602 5.717 91.534 o 15 -7 9 4.602 0.001 5.309 111.338 o 15 -7 10 20.181 25.079 10.482 23.959 o 15 -6 0 11.588 7.540 9.078 36.569 o 15 -6 1 37.736 27.561 13.584 13.594 o 15 -6 2 2.737 1.266 3.856 205.092 o 15 -6 3 70.263 72.912 16.451 6.795 o 15 -6 4 51.429 32.250 18.061 7.934 o 15 -6 5 44.123 65.940 15.538 9.165 o 15 -6 6 1.736 2.054 3.244 285.347 o 15 -6 7 4.807 6.602 3.984 163.716 o 15 -6 8 0.381 0.109 1.955 848.798 o 15 -6 9 0.177 0.010 4.656 157.622 o 15 -6 10 9.025 16.697 8.952 36.657 o 15 -5 0 10.899 12.586 4.845 93.395 o 15 -5 1 112.399 117.494 31.291 2.242 o 15 -5 2 2.366 5.466 5.316 109.936 o 15 -5 3 0.003 1.845 5.222 123.643 o 15 -5 4 58.468 29.536 19.126 7.037 o 15 -5 5 41.214 27.871 9.618 20.381 o 15 -5 6 41.924 42.490 10.945 15.979 o 15 -5 7 17.812 35.727 7.215 38.091 o 15 -5 8 1.631 3.825 1.760 677.918 o 15 -5 9 14.363 12.548 4.989 81.797 o 15 -5 10 0.843 4.048 5.440 110.131 o 15 -4 0 111.007 131.582 25.340 2.795 o 15 -4 1 83.282 91.895 22.282 4.151 o 15 -4 2 0.957 2.873 4.386 167.218 o 15 -4 3 0.013 0.173 4.544 165.740 o 15 -4 4 8.164 14.008 5.271 87.981 o 15 -4 5 17.691 1.869 2.208 174.463 o 15 -4 6 2.799 0.760 3.314 269.592 o 15 -4 7 17.232 32.683 7.205 39.637 o 15 -4 8 0.310 0.982 1.626 1123.300 o 15 -4 9 3.644 4.440 3.320 236.842 o 15 -3 0 81.122 99.999 22.662 4.025 o 15 -3 1 0.577 0.528 2.504 512.119 o 15 -3 2 14.081 22.360 5.921 59.377 o 15 -3 3 15.552 9.274 10.477 27.162 o 15 -3 4 21.179 15.962 7.536 40.440 o 15 -3 5 2.154 2.980 6.889 69.333 o 15 -3 6 16.741 20.508 9.397 30.272 o 15 -3 7 7.965 9.920 8.009 46.842 o 15 -3 8 3.118 2.839 1.865 565.655 o 15 -3 9 16.391 21.840 9.365 30.316 o 15 -2 0 1.937 7.182 9.401 37.447 o 15 -2 1 16.825 15.155 10.169 27.439 o 15 -2 2 6.432 7.125 5.068 106.379 o 15 -2 3 0.238 0.011 2.722 455.408 o 15 -2 4 3.629 0.029 9.011 41.225 o 15 -2 5 0.000 10.579 8.137 49.508 o 15 -2 6 26.009 47.886 11.072 18.332 o 15 -2 7 28.899 40.373 9.387 22.738 o 15 -2 8 6.706 12.005 5.983 76.757 o 15 -2 9 0.489 0.039 2.299 619.086 o 15 -1 0 0.009 1.321 5.590 108.594 o 15 -1 1 93.402 105.220 24.906 3.324 o 15 -1 2 116.905 120.860 32.796 2.062 o 15 -1 3 36.539 45.800 12.425 14.285 o 15 -1 4 2.696 1.513 2.381 452.871 o 15 -1 5 22.812 37.080 9.146 26.102 o 15 -1 6 79.418 101.915 20.410 4.563 o 15 -1 7 8.116 13.252 7.976 46.101 o 15 -1 8 6.131 2.806 3.158 234.505 o 15 -1 9 6.128 8.917 5.711 86.478 o 15 0 0 35.267 49.419 11.640 15.414 o 15 0 1 100.125 118.885 21.123 3.687 o 15 0 2 58.532 59.327 11.641 11.318 o 15 0 3 0.450 0.044 2.890 399.365 o 15 0 4 81.126 103.879 19.572 4.694 o 15 0 5 0.376 11.030 7.953 51.412 o 15 0 6 29.893 41.445 12.242 15.896 o 15 0 7 0.391 0.021 2.833 416.811 o 15 0 8 7.456 9.186 5.295 94.405 o 15 1 0 1.718 15.320 6.534 70.358 o 15 1 1 18.080 20.533 6.474 49.865 o 15 1 2 6.368 2.206 4.295 148.835 o 15 1 3 7.581 6.899 3.972 147.831 o 15 1 4 47.177 63.690 11.129 13.069 o 15 1 5 7.266 7.318 4.064 143.837 o 15 1 6 8.034 8.745 4.975 102.803 o 15 1 7 0.407 0.069 2.809 422.814 o 15 2 0 2.974 3.478 3.990 184.228 o 15 2 1 26.406 18.566 10.593 22.836 o 15 2 2 43.996 43.660 13.653 11.908 o 15 2 3 20.548 16.461 5.811 55.998 o 15 2 4 20.659 23.756 6.228 47.763 o 15 2 5 3.527 2.102 2.459 396.094 o 15 2 6 7.074 12.605 6.994 58.721 o 15 2 7 19.145 19.489 7.029 44.516 o 15 3 0 4.169 2.109 2.086 464.454 o 15 3 1 150.750 160.203 22.932 2.305 o 15 3 2 23.374 15.028 5.667 54.745 o 15 3 3 0.689 2.263 1.204 1424.600 o 15 3 4 0.109 0.140 2.229 678.260 o 15 3 5 3.730 3.117 1.665 586.534 o 15 4 0 192.743 228.135 27.370 1.430 o 15 4 1 3.138 7.534 2.993 260.780 o 15 4 2 48.065 57.618 9.419 15.525 o 15 4 3 0.841 1.401 1.943 748.751 o 15 4 4 1.985 1.064 1.125 1310.220 o 15 5 0 14.863 21.211 8.075 38.896 o 15 5 1 1.047 0.432 1.651 1015.230 o 15 5 2 1.763 0.291 2.011 679.106 o 15 5 3 35.205 32.967 8.568 24.223 o 15 6 0 12.735 17.422 7.016 51.044 o 15 6 1 10.228 9.795 4.011 125.863 o 15 6 2 24.136 23.779 6.903 39.789 o 15 7 0 0.455 0.005 2.741 442.960 o 16 -11 0 0.232 1.843 1.887 825.469 o 16 -11 1 14.668 13.494 7.210 49.049 o 16 -11 2 0.507 1.560 3.602 251.450 o 16 -11 3 0.591 1.117 1.918 803.234 o 16 -11 4 7.769 0.172 4.488 137.051 o 16 -11 5 0.691 0.580 1.330 1509.530 o 16 -11 6 17.532 14.449 5.914 60.138 o 16 -10 0 0.649 4.202 4.723 144.151 o 16 -10 1 20.235 38.314 10.614 21.858 o 16 -10 2 31.292 84.381 26.576 4.140 o 16 -10 3 23.867 14.269 5.421 57.077 o 16 -10 4 1.865 3.364 3.874 202.087 o 16 -10 5 1.261 2.431 3.677 230.962 o 16 -10 6 4.509 5.461 3.868 176.831 o 16 -10 7 2.119 2.289 2.540 416.081 o 16 -9 0 13.977 30.545 10.463 24.926 o 16 -9 1 99.696 161.412 21.956 3.149 o 16 -9 2 13.494 9.616 5.868 70.196 o 16 -9 3 8.088 9.491 6.529 66.442 o 16 -9 4 25.404 35.697 11.447 18.816 o 16 -9 5 1.139 0.426 2.359 547.257 o 16 -9 6 11.114 4.882 5.775 79.752 o 16 -9 7 14.329 20.597 6.539 53.059 o 16 -9 8 7.897 5.264 2.168 293.041 o 16 -8 0 24.499 27.186 11.684 19.215 o 16 -8 1 0.109 1.796 1.710 996.810 o 16 -8 2 19.866 32.156 10.430 23.301 o 16 -8 3 43.475 41.546 10.889 15.867 o 16 -8 4 2.666 6.347 8.702 43.336 o 16 -8 5 16.682 6.231 5.561 72.966 o 16 -8 6 0.147 3.886 4.127 189.141 o 16 -8 7 3.519 5.376 7.546 56.574 o 16 -8 8 2.971 2.034 1.485 772.000 o 16 -7 0 17.279 23.297 12.550 18.525 o 16 -7 1 41.672 38.389 15.054 10.862 o 16 -7 2 0.013 0.028 2.468 561.881 o 16 -7 3 0.274 0.014 2.599 497.355 o 16 -7 4 34.143 39.513 12.141 15.562 o 16 -7 5 19.611 22.529 13.521 16.081 o 16 -7 6 15.043 18.457 6.387 55.111 o 16 -7 7 0.223 0.019 3.677 251.592 o 16 -7 8 6.118 1.654 1.641 495.974 o 16 -6 0 0.161 1.053 2.318 599.324 o 16 -6 1 0.107 2.671 3.271 299.587 o 16 -6 2 9.563 5.382 4.802 108.746 o 16 -6 3 0.041 0.071 1.744 1113.420 o 16 -6 4 85.518 117.834 18.559 4.586 o 16 -6 5 7.809 16.974 6.167 68.117 o 16 -6 6 2.218 7.315 3.282 240.861 o 16 -6 7 0.031 1.693 2.890 389.835 o 16 -6 8 22.252 49.599 12.758 15.495 o 16 -5 0 15.344 8.171 6.852 54.784 o 16 -5 1 58.173 62.506 23.278 4.808 o 16 -5 2 0.478 1.835 5.132 126.791 o 16 -5 3 4.210 1.804 1.929 513.366 o 16 -5 4 108.316 151.061 22.143 3.065 o 16 -5 5 61.275 108.813 20.705 4.907 o 16 -5 6 2.330 6.825 3.256 245.299 o 16 -5 7 0.402 1.373 1.873 843.560 o 16 -5 8 37.259 83.702 15.855 8.790 o 16 -4 0 174.727 221.157 80.398 0.434 o 16 -4 1 117.407 125.530 44.069 1.346 o 16 -4 2 12.848 7.229 6.094 69.103 o 16 -4 3 1.842 2.746 4.064 187.693 o 16 -4 4 26.985 54.236 20.555 6.917 o 16 -4 5 58.070 85.172 16.741 6.980 o 16 -4 6 4.850 14.130 4.902 106.489 o 16 -4 7 5.237 4.465 3.082 243.196 o 16 -3 0 114.251 98.346 20.107 3.768 o 16 -3 1 0.003 0.129 1.492 1518.660 o 16 -3 2 13.879 6.134 6.237 66.101 o 16 -3 3 24.148 11.782 4.796 65.582 o 16 -3 4 1.171 4.940 8.440 46.829 o 16 -3 5 5.510 11.241 5.177 99.974 o 16 -3 6 50.794 65.299 10.104 13.486 o 16 -3 7 17.220 18.280 4.648 74.936 o 16 -2 0 24.314 18.491 9.246 28.562 o 16 -2 1 8.817 2.568 3.926 155.507 o 16 -2 2 0.112 1.404 2.917 384.452 o 16 -2 3 4.436 3.464 4.664 134.901 o 16 -2 4 16.952 32.128 12.244 18.677 o 16 -2 5 25.488 35.208 8.147 29.234 o 16 -2 6 0.398 1.161 2.183 650.972 o 16 -2 7 18.708 21.529 7.841 38.131 o 16 -1 0 102.822 92.748 23.358 3.523 o 16 -1 1 2.012 4.567 3.480 235.927 o 16 -1 2 45.939 52.723 17.514 8.056 o 16 -1 3 0.220 0.003 1.855 966.244 o 16 -1 4 0.622 0.215 3.458 278.310 o 16 -1 5 2.959 8.200 5.805 90.269 o 16 -1 6 20.195 20.392 8.129 35.775 o 16 -1 7 12.639 16.416 5.430 73.344 o 16 0 0 0.099 1.416 2.990 366.819 o 16 0 1 46.025 55.516 14.182 10.574 o 16 0 2 16.540 13.876 7.849 41.804 o 16 0 3 4.738 8.833 5.340 99.698 o 16 0 4 46.617 56.212 8.573 17.197 o 16 0 5 0.819 0.065 3.825 227.714 o 16 0 6 7.871 9.638 4.623 113.402 o 16 1 0 32.860 50.875 10.450 17.842 o 16 1 1 14.969 37.670 10.154 24.841 o 16 1 2 0.798 0.045 4.072 201.807 o 16 1 3 17.912 22.063 5.988 53.956 o 16 1 4 1.102 2.067 2.723 401.265 o 16 1 5 0.383 0.013 2.557 509.372 o 16 2 0 0.006 0.342 2.816 427.990 o 16 2 1 12.194 11.239 5.537 76.974 o 16 2 2 0.537 2.232 2.264 572.745 o 16 2 3 1.900 6.413 3.000 286.916 o 16 2 4 7.218 7.949 2.718 229.464 o 16 3 0 64.148 68.676 10.559 10.899 o 16 3 1 0.002 2.104 2.865 392.151 o 16 3 2 14.979 13.454 4.255 94.241 o 16 3 3 17.018 20.092 4.549 74.873 o 16 4 0 13.603 8.811 4.186 108.409 o 16 4 1 23.237 39.400 10.480 21.372 o 16 4 2 23.393 32.586 8.790 28.106 o 16 5 0 27.947 43.942 9.312 22.690 o 16 5 1 0.304 1.238 2.201 645.347 o 17 -10 1 10.353 10.213 4.620 104.474 o 17 -9 0 19.601 29.486 7.664 36.266 o 17 -9 1 33.729 61.004 18.807 7.602 o 17 -9 2 3.839 2.662 3.224 256.195 o 17 -9 3 3.727 21.793 10.557 28.092 o 17 -9 4 3.892 13.936 4.368 130.155 o 17 -8 0 30.960 37.212 9.618 21.956 o 17 -8 1 2.057 1.745 2.379 472.939 o 17 -8 2 0.734 1.441 2.652 440.344 o 17 -8 3 4.480 7.541 8.711 42.322 o 17 -8 4 4.099 12.162 5.290 98.856 o 17 -8 5 5.887 10.443 5.577 88.887 o 17 -7 0 0.563 0.886 2.720 433.393 o 17 -7 1 4.024 1.190 1.892 551.680 o 17 -7 2 1.530 0.115 4.339 174.533 o 17 -7 3 4.452 2.165 3.745 198.670 o 17 -7 4 19.562 26.256 10.715 23.168 o 17 -7 5 11.799 16.646 8.166 41.260 o 17 -7 6 1.681 6.987 4.412 152.698 o 17 -6 0 0.881 4.027 4.435 161.489 o 17 -6 1 0.312 1.289 2.362 565.232 o 17 -6 2 0.134 1.827 1.774 930.761 o 17 -6 3 7.347 14.883 6.927 58.328 o 17 -6 4 52.187 74.822 9.460 13.106 o 17 -6 5 8.019 8.262 7.645 51.322 o 17 -6 6 26.043 51.366 11.023 18.074 o 17 -5 0 13.303 10.752 2.866 148.754 o 17 -5 1 2.694 2.132 1.468 807.065 o 17 -5 2 24.230 9.976 10.959 23.145 o 17 -5 3 1.853 15.005 6.944 63.210 o 17 -5 4 67.754 103.190 14.611 6.869 o 17 -5 5 1.230 1.753 3.613 242.100 o 17 -4 0 59.053 62.979 30.085 3.175 o 17 -4 1 2.820 1.967 2.072 534.727 o 17 -4 2 70.686 27.159 8.303 15.328 o 17 -4 3 7.650 7.177 7.415 54.815 o 17 -4 4 13.005 35.709 8.323 34.383 o 17 -4 5 0.001 5.886 3.261 280.326 o 17 -3 0 0.125 0.031 2.084 777.404 o 17 -3 1 14.636 2.947 3.064 159.317 o 17 -3 2 35.485 12.325 5.242 45.257 o 17 -3 3 12.188 28.580 12.522 18.940 o 17 -3 4 0.271 2.069 3.087 336.155 o 17 -3 5 31.297 49.886 11.350 16.563 o 17 -2 0 39.573 43.937 14.258 11.663 o 17 -2 1 0.506 1.325 2.820 401.024 o 17 -2 2 0.815 1.089 1.755 905.925 o 17 -2 3 0.656 5.798 5.431 109.013 o 17 -2 4 0.702 8.241 5.773 95.043 o 17 -2 5 5.895 1.375 1.731 492.733 o 17 -1 0 10.132 5.600 5.179 95.510 o 17 -1 1 7.799 7.294 5.250 97.068 o 17 -1 2 17.227 19.270 6.239 53.795 o 17 -1 3 13.183 18.495 7.708 43.659 o 17 -1 4 1.256 3.918 3.629 229.743 o 17 0 0 0.143 0.022 2.807 431.061 o 17 0 1 26.805 38.489 9.194 24.300 o 17 0 2 3.539 11.066 3.615 181.554 o 17 0 3 8.571 21.484 7.418 48.612 o 17 0 4 6.430 9.618 5.593 88.220 o 17 1 0 3.631 9.475 5.769 88.980 o 17 1 1 21.398 32.272 6.229 42.942 o 17 1 2 10.646 20.310 4.979 81.627 o 17 2 0 10.277 19.771 5.269 77.497 o 17 2 1 19.962 42.763 10.576 21.494 o 17 3 0 4.449 5.071 3.980 170.766 o 18 -6 1 9.561 26.243 9.245 32.691 o 18 -5 1 0.108 0.839 4.103 200.636 o 18 -5 2 5.443 14.943 8.018 46.760 o 18 -4 0 14.447 1.824 2.664 185.505 o 18 -4 1 0.761 7.048 4.558 147.872 o 18 -3 0 0.765 0.092 3.724 240.207 o 18 -2 0 1.711 0.002 3.743 230.069 o ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_disorder_group Li1 Li 0.4821(3) 0.9459(3) 0.9100(2) 0.0403(9) Uani 1.000000 . . . Li2 Li 0.5879(3) 0.9926(3) 0.7917(2) 0.0418(9) Uani 1.000000 . . . Li3 Li 0.6223(3) 0.8492(3) 0.8287(3) 0.0469(10) Uani 1.000000 . . . Li4 Li 0.4205(3) 0.8262(3) 0.7455(3) 0.0444(10) Uani 1.000000 . . . Li5 Li 0.4589(4) 0.8187(4) 1.0711(3) 0.0575(13) Uani 1.000000 . . . Li6 Li 0.6042(3) 0.8792(3) 1.0199(3) 0.0427(9) Uani 1.000000 . . . O1 O 0.48121(13) 0.77599(14) 0.65028(12) 0.0532(5) Uani 1.000000 . . . O2 O 0.60827(12) 0.87269(12) 0.72442(10) 0.0432(4) Uani 1.000000 . . . O3 O 0.29614(13) 0.75906(13) 0.68699(11) 0.0493(5) Uani 1.000000 . . . O4 O 0.32867(15) 0.68008(17) 0.56262(12) 0.0660(6) Uani 1.000000 . . . H4 H 0.3817(7) 0.712(2) 0.5850(10) 0.0990(10) Uiso 1.000000 GR . . O5 O 0.38574(18) 0.89827(17) 1.22518(17) 0.0777(8) Uani 1.000000 . . . O6 O 0.37730(17) 0.7656(2) 1.11784(14) 0.0752(7) Uani 1.000000 . . . O7 O 0.48039(12) 0.79455(12) 0.96371(10) 0.0423(4) Uani 1.000000 . . . O8 O 0.48219(12) 0.81109(11) 0.84348(10) 0.0393(4) Uani 1.000000 . . . O9 O 0.60061(15) 1.00574(14) 1.01312(15) 0.0617(6) Uani 1.000000 . . . O10 O 0.6407(2) 0.98610(15) 0.89207(12) 0.0720(7) Uani 1.000000 . . . O11 O 0.42318(12) 1.10674(12) 0.87218(10) 0.0418(4) Uani 1.000000 . . . O12 O 0.44710(12) 0.96425(11) 0.80059(10) 0.0386(4) Uani 1.000000 . . . O13 O 0.68997(18) 0.82600(17) 0.9640(2) 0.0896(10) Uani 1.000000 . . . O14 O 0.71231(18) 0.77542(18) 0.83278(18) 0.0761(7) Uani 1.000000 . . . N1 N 0.61065(19) 0.77995(19) 0.59237(15) 0.0598(7) Uani 1.000000 D U . N2 N 0.18210(16) 0.66096(18) 0.58289(14) 0.0538(6) Uani 1.000000 . . . N3 N 0.30940(19) 0.76243(16) 1.22458(15) 0.0549(6) Uani 1.000000 D U . N4 N 0.45844(17) 0.66496(14) 0.84711(13) 0.0457(5) Uani 1.000000 . . . N5 N 0.74181(15) 1.07366(17) 1.00432(15) 0.0538(6) Uani 1.000000 D U . N6 N 0.37289(15) 1.04345(15) 0.73434(12) 0.0428(5) Uani 1.000000 . . . N7 N 0.80088(17) 0.74093(18) 0.92597(15) 0.0529(6) Uani 1.000000 . . . C1 C 0.56530(17) 0.81013(18) 0.65736(15) 0.0403(5) Uani 1.000000 . . . C2 C 0.7054(3) 0.8182(3) 0.5953(3) 0.0762(11) Uani 1.000000 . . . H2 H 0.7171(3) 0.7820(3) 0.5386(3) 0.0914(13) Uiso 1.000000 R . . C3 C 0.5574(5) 0.7007(5) 0.5173(3) 0.090(2) Uani 0.684(9) D U 1 H3 H 0.4913(5) 0.6862(5) 0.5235(3) 0.107(2) Uiso 0.684(9) R . 1 C4 C 0.6043(7) 0.6143(5) 0.5058(6) 0.110(3) Uani 0.684(9) D U 1 H4a H 0.660(3) 0.622(2) 0.481(4) 0.166(4) Uiso 0.684(9) GR . 1 H4b H 0.621(4) 0.610(3) 0.5597(7) 0.166(4) Uiso 0.684(9) GR . 1 H4c H 0.5614(18) 0.5572(7) 0.469(3) 0.166(4) Uiso 0.684(9) GR . 1 C5 C 0.5652(8) 0.7202(8) 0.4377(4) 0.123(3) Uani 0.684(9) D U 1 H5a H 0.570(6) 0.7875(10) 0.4501(10) 0.185(5) Uiso 0.684(9) GR . 1 H5b H 0.620(3) 0.700(5) 0.416(3) 0.185(5) Uiso 0.684(9) GR . 1 H5c H 0.510(3) 0.686(4) 0.3964(17) 0.185(5) Uiso 0.684(9) GR . 1 C6 C 0.7728(3) 0.7942(4) 0.6494(3) 0.1059(16) Uani 1.000000 . . . H6a H 0.777(2) 0.837(2) 0.7069(5) 0.159(2) Uiso 1.000000 GR . . H6b H 0.7522(16) 0.7296(11) 0.645(2) 0.159(2) Uiso 1.000000 GR . . H6c H 0.8333(7) 0.800(3) 0.6320(17) 0.159(2) Uiso 1.000000 GR . . C7 C 0.7190(5) 0.9160(4) 0.5982(4) 0.126(2) Uani 1.000000 . . . H7a H 0.6640(14) 0.9248(11) 0.568(3) 0.189(3) Uiso 1.000000 GR . . H7b H 0.729(3) 0.9597(4) 0.6559(4) 0.189(3) Uiso 1.000000 GR . . H7c H 0.773(2) 0.9278(12) 0.573(3) 0.189(3) Uiso 1.000000 GR . . C8 C 0.27052(19) 0.7037(2) 0.61535(16) 0.0478(6) Uani 1.000000 . . . C9 C 0.1115(2) 0.6834(3) 0.6365(2) 0.0655(9) Uani 1.000000 . . . H9 H 0.1426(2) 0.7349(3) 0.6896(2) 0.0786(11) Uiso 1.000000 R . . C10 C 0.1526(2) 0.5893(2) 0.49802(19) 0.0655(9) Uani 1.000000 . . . H10 H 0.0846(2) 0.5679(2) 0.49247(19) 0.0786(11) Uiso 1.000000 R . . C11 C 0.0727(3) 0.6012(3) 0.6575(3) 0.0820(12) Uani 1.000000 . . . H11a H 0.041(2) 0.5497(9) 0.6068(4) 0.1229(17) Uiso 1.000000 GR . . H11b H 0.1231(4) 0.5807(15) 0.6830(19) 0.1229(17) Uiso 1.000000 GR . . H11c H 0.0294(17) 0.6197(7) 0.6962(16) 0.1229(17) Uiso 1.000000 GR . . C12 C 0.0357(3) 0.7197(4) 0.5991(3) 0.1021(15) Uani 1.000000 . . . H12a H 0.0634(3) 0.768(2) 0.580(2) 0.153(2) Uiso 1.000000 GR . . H12b H -0.0028(16) 0.6679(7) 0.5519(15) 0.153(2) Uiso 1.000000 GR . . H12c H -0.0023(17) 0.746(3) 0.6409(8) 0.153(2) Uiso 1.000000 GR . . C13 C 0.1651(4) 0.6290(4) 0.4320(2) 0.1006(16) Uani 1.000000 . . . H13a H 0.143(3) 0.6882(15) 0.4467(13) 0.151(2) Uiso 1.000000 GR . . H13b H 0.2307(5) 0.640(3) 0.4276(18) 0.151(2) Uiso 1.000000 GR . . H13c H 0.130(2) 0.5844(13) 0.3789(6) 0.151(2) Uiso 1.000000 GR . . C14 C 0.1947(3) 0.5033(3) 0.4851(3) 0.0883(13) Uani 1.000000 . . . H14a H 0.2611(5) 0.5193(6) 0.486(2) 0.1325(19) Uiso 1.000000 GR . . H14b H 0.185(2) 0.4805(15) 0.5297(12) 0.1325(19) Uiso 1.000000 GR . . H14c H 0.1659(17) 0.4543(9) 0.4317(10) 0.1325(19) Uiso 1.000000 GR . . C15 C 0.3590(2) 0.8109(2) 1.18828(19) 0.0538(7) Uani 1.000000 . . . C16 C 0.2837(3) 0.6605(2) 1.1895(3) 0.0752(10) Uani 1.000000 . . . H16 H 0.2526(3) 0.6452(2) 1.2324(3) 0.0903(12) Uiso 1.000000 R . . C17 C 0.2866(7) 0.8036(7) 1.3076(4) 0.077(2) Uani 0.616(11) D U 1 H17 H 0.3065(7) 0.8724(7) 1.3217(4) 0.092(3) Uiso 0.616(11) R . 1 C18 C 0.3460(8) 0.7859(8) 1.3733(5) 0.092(3) Uani 0.616(11) D U 1 H18a H 0.334(3) 0.7189(10) 1.363(2) 0.139(4) Uiso 0.616(11) GR . 1 H18b H 0.4111(8) 0.806(4) 1.371(3) 0.139(4) Uiso 0.616(11) GR . 1 H18c H 0.332(3) 0.822(3) 1.4279(6) 0.139(4) Uiso 0.616(11) GR . 1 C19 C 0.1839(6) 0.7932(7) 1.3093(6) 0.090(2) Uani 0.616(11) D U 1 H19a H 0.1535(8) 0.807(4) 1.264(2) 0.135(3) Uiso 0.616(11) GR . 1 H19b H 0.1587(10) 0.7289(13) 1.303(4) 0.135(3) Uiso 0.616(11) GR . 1 H19c H 0.1730(7) 0.837(3) 1.3621(17) 0.135(3) Uiso 0.616(11) GR . 1 C20 C 0.2114(3) 0.6237(3) 1.1156(3) 0.0923(13) Uani 1.000000 . . . H20a H 0.1577(11) 0.653(2) 1.1285(7) 0.138(2) Uiso 1.000000 GR . . H20b H 0.2352(9) 0.638(2) 1.0703(8) 0.138(2) Uiso 1.000000 GR . . H20c H 0.1931(19) 0.5557(5) 1.0988(14) 0.138(2) Uiso 1.000000 GR . . C21 C 0.3644(4) 0.6114(3) 1.1840(4) 0.1035(16) Uani 1.000000 . . . H21a H 0.3989(16) 0.622(2) 1.1421(18) 0.155(2) Uiso 1.000000 GR . . H21b H 0.4049(15) 0.636(2) 1.2378(7) 0.155(2) Uiso 1.000000 GR . . H21c H 0.3422(4) 0.5441(5) 1.168(3) 0.155(2) Uiso 1.000000 GR . . C22 C 0.47357(16) 0.75854(16) 0.88539(14) 0.0367(5) Uani 1.000000 . . . C23 C 0.4541(3) 0.6001(2) 0.8914(2) 0.0609(8) Uani 1.000000 . . . H23 H 0.4505(3) 0.5367(2) 0.8479(2) 0.0731(10) Uiso 1.000000 R . . C24 C 0.4521(2) 0.6220(2) 0.75594(17) 0.0562(7) Uani 1.000000 . . . H24 H 0.4548(2) 0.6744(2) 0.73522(17) 0.0674(9) Uiso 1.000000 R . . C25 C 0.3667(3) 0.5933(3) 0.9287(2) 0.0773(11) Uani 1.000000 . . . H25a H 0.3704(10) 0.6502(10) 0.9777(12) 0.1160(17) Uiso 1.000000 GR . . H25b H 0.3134(4) 0.587(2) 0.8879(7) 0.1160(17) Uiso 1.000000 GR . . H25c H 0.3599(12) 0.5386(13) 0.9446(18) 0.1160(17) Uiso 1.000000 GR . . C26 C 0.5411(3) 0.6164(3) 0.9525(2) 0.0734(10) Uani 1.000000 . . . H26a H 0.5954(3) 0.627(2) 0.9273(7) 0.1101(15) Uiso 1.000000 GR . . H26b H 0.5419(11) 0.6711(13) 1.0026(8) 0.1101(15) Uiso 1.000000 GR . . H26c H 0.5420(11) 0.5611(9) 0.9670(15) 0.1101(15) Uiso 1.000000 GR . . C27 C 0.5336(3) 0.5766(3) 0.7318(2) 0.0761(11) Uani 1.000000 . . . H27a H 0.5908(3) 0.6221(7) 0.7593(15) 0.1142(16) Uiso 1.000000 GR . . H27b H 0.5322(12) 0.5227(13) 0.7487(17) 0.1142(16) Uiso 1.000000 GR . . H27c H 0.5307(12) 0.5554(19) 0.6716(3) 0.1142(16) Uiso 1.000000 GR . . C28 C 0.3596(3) 0.5566(2) 0.7154(2) 0.0709(10) Uani 1.000000 . . . H28a H 0.3542(8) 0.5035(10) 0.7334(14) 0.1064(15) Uiso 1.000000 GR . . H28b H 0.3096(3) 0.5907(6) 0.7316(14) 0.1064(15) Uiso 1.000000 GR . . H28c H 0.3555(8) 0.5336(16) 0.6551(2) 0.1064(15) Uiso 1.000000 GR . . C29 C 0.65845(16) 1.02115(16) 0.97002(15) 0.0362(5) Uani 1.000000 . . . C30 C 0.8239(3) 1.0893(3) 0.9726(3) 0.0516(9) Uani 0.695(4) D U 1 H30 H 0.8723(3) 1.1304(3) 1.0207(3) 0.0619(11) Uiso 0.695(4) R . 1 C31 C 0.7491(3) 1.1228(3) 1.1000(2) 0.0537(10) Uani 0.695(4) D U 1 H31 H 0.6858(3) 1.1106(3) 1.1133(2) 0.0644(11) Uiso 0.695(4) R . 1 C32 C 0.8565(5) 0.9967(4) 0.9332(5) 0.0631(16) Uani 0.695(4) D U 1 H32a H 0.859(3) 0.9646(14) 0.9723(10) 0.095(2) Uiso 0.695(4) GR . 1 H32b H 0.8134(15) 0.9569(11) 0.8827(14) 0.095(2) Uiso 0.695(4) GR . 1 H32c H 0.9181(12) 1.0093(4) 0.919(2) 0.095(2) Uiso 0.695(4) GR . 1 C33 C 0.8124(4) 1.1413(5) 0.9144(4) 0.0645(14) Uani 0.695(4) D U 1 H33a H 0.764(2) 1.1034(14) 0.8671(14) 0.097(2) Uiso 0.695(4) GR . 1 H33b H 0.795(3) 1.2013(14) 0.9438(8) 0.097(2) Uiso 0.695(4) GR . 1 H33c H 0.8707(9) 1.153(3) 0.895(2) 0.097(2) Uiso 0.695(4) GR . 1 C34 C 0.8103(5) 1.0822(4) 1.1468(3) 0.0636(14) Uani 0.695(4) D U 1 H34a H 0.8738(7) 1.095(3) 1.137(2) 0.095(2) Uiso 0.695(4) GR . 1 H34b H 0.808(2) 1.111(2) 1.2061(4) 0.095(2) Uiso 0.695(4) GR . 1 H34c H 0.7886(17) 1.0144(6) 1.1277(18) 0.095(2) Uiso 0.695(4) GR . 1 C35 C 0.7784(5) 1.2283(3) 1.1276(6) 0.0631(15) Uani 0.695(4) D U 1 H35a H 0.777(3) 1.2578(4) 1.1870(8) 0.095(2) Uiso 0.695(4) GR . 1 H35b H 0.8411(11) 1.2432(4) 1.117(2) 0.095(2) Uiso 0.695(4) GR . 1 H35c H 0.7360(16) 1.2520(5) 1.0968(18) 0.095(2) Uiso 0.695(4) GR . 1 C36 C 0.41523(17) 1.03825(17) 0.80411(14) 0.0370(5) Uani 1.000000 . . . C37 C 0.3355(2) 1.1263(2) 0.73494(18) 0.0535(7) Uani 1.000000 . . . H37 H 0.3082(2) 1.1124(2) 0.67628(18) 0.0642(8) Uiso 1.000000 R . . C38 C 0.3691(2) 0.9682(2) 0.65257(15) 0.0507(7) Uani 1.000000 . . . H38 H 0.3942(2) 0.9163(2) 0.66300(15) 0.0608(8) Uiso 1.000000 R . . C39 C 0.4310(3) 1.0024(3) 0.6009(2) 0.0726(10) Uani 1.000000 . . . H39a H 0.4043(11) 1.0483(16) 0.5838(16) 0.1089(15) Uiso 1.000000 GR . . H39b H 0.4923(7) 1.032(2) 0.6338(7) 0.1089(15) Uiso 1.000000 GR . . H39c H 0.4363(17) 0.9492(4) 0.5517(10) 0.1089(15) Uiso 1.000000 GR . . C40 C 0.2703(3) 0.9280(3) 0.6078(2) 0.0701(9) Uani 1.000000 . . . H40a H 0.2331(5) 0.9084(19) 0.6440(7) 0.1052(14) Uiso 1.000000 GR . . H40b H 0.2446(7) 0.9760(7) 0.5933(16) 0.1052(14) Uiso 1.000000 GR . . H40c H 0.2696(3) 0.8739(13) 0.5573(10) 0.1052(14) Uiso 1.000000 GR . . C41 C 0.2567(3) 1.1415(3) 0.7840(2) 0.0721(10) Uani 1.000000 . . . H41a H 0.2094(10) 1.0842(8) 0.7633(13) 0.1081(14) Uiso 1.000000 GR . . H41b H 0.2799(5) 1.157(2) 0.8426(4) 0.1081(14) Uiso 1.000000 GR . . H41c H 0.2299(14) 1.1933(14) 0.7779(15) 0.1081(14) Uiso 1.000000 GR . . C42 C 0.4103(3) 1.2145(2) 0.7600(2) 0.0676(9) Uani 1.000000 . . . H42a H 0.4319(14) 1.2380(11) 0.8198(4) 0.1014(13) Uiso 1.000000 GR . . H42b H 0.4622(8) 1.1991(5) 0.7306(13) 0.1014(13) Uiso 1.000000 GR . . H42c H 0.3848(6) 1.2627(7) 0.7457(16) 0.1014(13) Uiso 1.000000 GR . . C43 C 0.7301(2) 0.78333(19) 0.9080(2) 0.0553(8) Uani 1.000000 . . . C44 C 0.8225(3) 0.7445(3) 1.0099(3) 0.0846(12) Uani 1.000000 . . . H44 H 0.7749(3) 0.7770(3) 1.0386(3) 0.1015(14) Uiso 1.000000 R . . C45 C 0.8586(3) 0.6986(3) 0.8663(3) 0.0743(10) Uani 1.000000 . . . H45 H 0.9024(3) 0.6752(3) 0.8979(3) 0.0892(12) Uiso 1.000000 R . . C46 C 0.8100(3) 0.6110(3) 0.7950(2) 0.0786(11) Uani 1.000000 . . . H46a H 0.7764(18) 0.5677(10) 0.8163(2) 0.1179(16) Uiso 1.000000 GR . . H46b H 0.7664(16) 0.6274(4) 0.7589(11) 0.1179(16) Uiso 1.000000 GR . . H46c H 0.8554(4) 0.5810(12) 0.7634(12) 0.1179(16) Uiso 1.000000 GR . . C47 C 0.9204(3) 0.7666(3) 0.8432(3) 0.0852(12) Uani 1.000000 . . . H47a H 0.8847(6) 0.7851(18) 0.8033(16) 0.1278(18) Uiso 1.000000 GR . . H47b H 0.9470(18) 0.8222(11) 0.8928(4) 0.1278(18) Uiso 1.000000 GR . . H47c H 0.9700(13) 0.7373(9) 0.8182(19) 0.1278(18) Uiso 1.000000 GR . . C48 C 0.8064(4) 0.6538(3) 1.0193(3) 0.0947(14) Uani 1.000000 . . . H48a H 0.7422(7) 0.6224(12) 0.997(2) 0.142(2) Uiso 1.000000 GR . . H48b H 0.8475(18) 0.6146(10) 0.9895(19) 0.142(2) Uiso 1.000000 GR . . H48c H 0.819(3) 0.6636(4) 1.0781(3) 0.142(2) Uiso 1.000000 GR . . C49 C 0.9108(3) 0.8079(4) 1.0565(3) 0.0981(14) Uani 1.000000 . . . H49a H 0.9619(4) 0.7848(16) 1.0293(14) 0.147(2) Uiso 1.000000 GR . . H49b H 0.9093(11) 0.8711(7) 1.058(2) 0.147(2) Uiso 1.000000 GR . . H49c H 0.9195(14) 0.810(2) 1.1132(8) 0.147(2) Uiso 1.000000 GR . . C3A C 0.5884(11) 0.7057(9) 0.5119(6) 0.090(2) Uani 0.316(9) D . 2 H3A H 0.6449(11) 0.7002(9) 0.4852(6) 0.107(2) Uiso 0.316(9) R . 2 C4A C 0.5537(18) 0.6151(11) 0.5226(13) 0.110(3) Uani 0.316(9) D . 2 H4Aa H 0.6061(19) 0.587(5) 0.534(9) 0.166(4) Uiso 0.316(9) GR . 2 H4Ab H 0.519(9) 0.6279(18) 0.569(6) 0.166(4) Uiso 0.316(9) GR . 2 H4Ac H 0.513(8) 0.572(4) 0.472(4) 0.166(4) Uiso 0.316(9) GR . 2 C5A C 0.5156(16) 0.7291(18) 0.4597(12) 0.123(3) Uani 0.316(9) D . 2 H5Aa H 0.466(6) 0.748(11) 0.491(4) 0.185(5) Uiso 0.316(9) GR . 2 H5Ab H 0.543(3) 0.781(8) 0.445(8) 0.185(5) Uiso 0.316(9) GR . 2 H5Ac H 0.490(8) 0.674(4) 0.409(5) 0.185(5) Uiso 0.316(9) GR . 2 C31A C 0.8015(7) 1.1173(6) 1.0784(5) 0.0537(10) Uani 0.305(4) D . 2 H31A H 0.8636(7) 1.1390(6) 1.0671(5) 0.0644(11) Uiso 0.305(4) R . 2 C30A C 0.7936(6) 1.0706(7) 0.9295(6) 0.0516(9) Uani 0.305(4) D . 2 H30A H 0.7455(6) 1.0433(7) 0.8788(6) 0.0619(11) Uiso 0.305(4) R . 2 C32A C 0.8679(11) 1.0111(12) 0.9132(14) 0.0631(16) Uani 0.305(4) D . 2 H32d H 0.895(4) 1.015(5) 0.865(4) 0.095(2) Uiso 0.305(4) GR . 2 H32e H 0.916(3) 1.034(4) 0.962(2) 0.095(2) Uiso 0.305(4) GR . 2 H32f H 0.8405(17) 0.9457(17) 0.902(6) 0.095(2) Uiso 0.305(4) GR . 2 C33A C 0.8363(13) 1.1684(10) 0.9344(11) 0.0645(14) Uani 0.305(4) D . 2 H33d H 0.888(4) 1.196(3) 0.980(4) 0.097(2) Uiso 0.305(4) GR . 2 H33e H 0.858(6) 1.1636(12) 0.882(2) 0.097(2) Uiso 0.305(4) GR . 2 H33f H 0.790(2) 1.208(2) 0.944(6) 0.097(2) Uiso 0.305(4) GR . 2 C34A C 0.8103(14) 1.0488(9) 1.1222(8) 0.0636(14) Uani 0.305(4) D . 2 H34d H 0.833(6) 0.995(3) 1.086(2) 0.095(2) Uiso 0.305(4) GR . 2 H34e H 0.854(5) 1.080(2) 1.174(3) 0.095(2) Uiso 0.305(4) GR . 2 H34f H 0.7500(19) 1.028(5) 1.134(5) 0.095(2) Uiso 0.305(4) GR . 2 C35A C 0.7598(14) 1.2028(10) 1.1214(16) 0.0631(15) Uani 0.305(4) D . 2 H35d H 0.761(6) 1.243(3) 1.089(4) 0.095(2) Uiso 0.305(4) GR . 2 H35e H 0.696(2) 1.1821(10) 1.126(5) 0.095(2) Uiso 0.305(4) GR . 2 H35f H 0.796(4) 1.238(4) 1.177(3) 0.095(2) Uiso 0.305(4) GR . 2 C17A C 0.2799(11) 0.8247(12) 1.2976(7) 0.077(2) Uani 0.384(11) D . 2 H17A H 0.3053(11) 0.8878(12) 1.2975(7) 0.092(3) Uiso 0.384(11) R . 2 C19A C 0.1782(10) 0.8256(13) 1.2919(10) 0.090(2) Uani 0.384(11) D . 2 H19d H 0.1641(15) 0.873(5) 1.271(6) 0.135(3) Uiso 0.384(11) GR . 2 H19e H 0.1435(11) 0.764(2) 1.254(5) 0.135(3) Uiso 0.384(11) GR . 2 H19f H 0.1608(16) 0.840(7) 1.3470(14) 0.135(3) Uiso 0.384(11) GR . 2 C18A C 0.3314(14) 0.8283(13) 1.3775(9) 0.092(3) Uani 0.384(11) D . 2 H18d H 0.3979(14) 0.841(8) 1.377(3) 0.139(4) Uiso 0.384(11) GR . 2 H18e H 0.315(6) 0.878(5) 1.4240(10) 0.139(4) Uiso 0.384(11) GR . 2 H18f H 0.314(6) 0.768(3) 1.383(3) 0.139(4) Uiso 0.384(11) GR . 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Li1 0.034(2) 0.038(2) 0.039(2) -0.0015(16) 0.0026(15) 0.0059(17) Li2 0.045(2) 0.039(2) 0.036(2) -0.0003(17) 0.0064(16) 0.0110(17) Li3 0.054(3) 0.041(2) 0.042(2) 0.0077(19) 0.0009(18) 0.0130(19) Li4 0.053(2) 0.035(2) 0.036(2) -0.0045(18) 0.0035(17) 0.0089(17) Li5 0.059(3) 0.060(3) 0.046(2) -0.008(2) 0.013(2) 0.017(2) Li6 0.050(2) 0.038(2) 0.039(2) 0.0107(18) 0.0142(17) 0.0094(17) O1 0.0453(10) 0.0548(12) 0.0473(10) -0.0051(8) 0.0053(8) 0.0106(9) O2 0.0463(10) 0.0368(9) 0.0391(9) 0.0018(7) 0.0050(7) 0.0083(7) O3 0.0455(10) 0.0453(10) 0.0414(9) -0.0059(8) 0.0011(7) 0.0044(8) O4 0.0490(12) 0.0751(15) 0.0461(11) -0.0114(10) 0.0048(9) -0.0009(10) O5 0.0743(16) 0.0499(13) 0.1045(19) -0.0159(11) -0.0127(13) 0.0416(13) O6 0.0689(15) 0.103(2) 0.0567(13) -0.0029(13) 0.0209(11) 0.0379(13) O7 0.0434(9) 0.0407(9) 0.0356(8) -0.0036(7) 0.0071(7) 0.0098(7) O8 0.0476(10) 0.0311(8) 0.0381(8) 0.0011(7) 0.0078(7) 0.0139(7) O9 0.0696(13) 0.0379(10) 0.0943(16) 0.0193(9) 0.0525(12) 0.0310(11) O10 0.116(2) 0.0420(11) 0.0413(11) -0.0107(12) -0.0196(11) 0.0141(9) O11 0.0495(10) 0.0381(9) 0.0334(8) 0.0041(7) 0.0037(7) 0.0103(7) O12 0.0437(9) 0.0329(8) 0.0364(8) 0.0041(7) 0.0058(7) 0.0111(7) O13 0.0654(15) 0.0439(12) 0.148(3) 0.0137(11) 0.0553(16) 0.0107(14) O14 0.0728(16) 0.0576(14) 0.0906(18) 0.0087(11) -0.0134(13) 0.0275(13) N1 0.0626(16) 0.0629(16) 0.0471(13) 0.0147(12) 0.0207(11) 0.0081(11) N2 0.0407(12) 0.0551(14) 0.0464(12) -0.0087(10) -0.0045(9) 0.0056(11) N3 0.0768(17) 0.0388(12) 0.0507(13) 0.0000(11) 0.0227(12) 0.0194(10) N4 0.0635(14) 0.0253(10) 0.0424(11) -0.0009(9) 0.0037(10) 0.0106(9) N5 0.0364(11) 0.0484(13) 0.0680(15) -0.0083(9) -0.0047(10) 0.0213(11) N6 0.0510(12) 0.0414(11) 0.0329(10) 0.0058(9) 0.0032(8) 0.0124(9) N7 0.0489(13) 0.0526(14) 0.0569(14) 0.0204(11) 0.0122(10) 0.0150(11) C1 0.0422(13) 0.0389(13) 0.0369(12) 0.0059(10) 0.0081(10) 0.0107(10) C2 0.062(2) 0.104(3) 0.079(2) 0.0232(19) 0.0365(18) 0.045(2) C3 0.075(5) 0.097(3) 0.058(2) 0.006(3) 0.031(2) -0.017(2) C4 0.136(8) 0.070(3) 0.093(5) -0.002(4) 0.025(4) -0.001(3) C5 0.129(8) 0.153(6) 0.059(4) 0.036(5) -0.017(4) 0.010(4) C6 0.073(3) 0.130(5) 0.103(3) 0.020(3) -0.001(2) 0.034(3) C7 0.119(4) 0.091(4) 0.169(6) -0.007(3) 0.033(4) 0.060(4) C8 0.0442(14) 0.0460(15) 0.0442(14) -0.0034(11) 0.0029(11) 0.0118(12) C9 0.0441(16) 0.066(2) 0.0633(18) -0.0011(14) 0.0031(13) 0.0029(15) C10 0.0553(18) 0.065(2) 0.0497(16) -0.0138(15) -0.0077(13) 0.0040(14) C11 0.063(2) 0.091(3) 0.081(2) -0.0101(19) 0.0141(18) 0.027(2) C12 0.058(2) 0.103(4) 0.135(4) 0.019(2) 0.008(2) 0.033(3) C13 0.102(3) 0.118(4) 0.058(2) -0.015(3) -0.018(2) 0.027(2) C14 0.082(3) 0.061(2) 0.079(2) -0.0070(19) -0.0066(19) -0.0120(19) C15 0.0559(16) 0.0506(16) 0.0563(16) -0.0064(13) 0.0016(13) 0.0299(14) C16 0.089(3) 0.0404(17) 0.096(3) -0.0036(16) 0.018(2) 0.0298(18) C17 0.114(4) 0.068(5) 0.057(3) 0.015(3) 0.038(2) 0.028(2) C18 0.125(6) 0.096(7) 0.053(2) 0.008(5) 0.022(3) 0.026(4) C19 0.114(4) 0.104(7) 0.085(5) 0.043(4) 0.054(4) 0.057(4) C20 0.097(3) 0.056(2) 0.096(3) -0.013(2) 0.007(2) 0.008(2) C21 0.100(3) 0.047(2) 0.160(5) 0.014(2) 0.013(3) 0.037(3) C22 0.0359(12) 0.0325(12) 0.0341(11) -0.0031(9) 0.0058(9) 0.0071(9) C23 0.082(2) 0.0394(15) 0.0569(17) -0.0027(14) 0.0078(15) 0.0194(13) C24 0.078(2) 0.0370(14) 0.0393(14) 0.0001(13) 0.0016(13) 0.0031(11) C25 0.098(3) 0.0531(19) 0.074(2) -0.0152(18) 0.016(2) 0.0267(17) C26 0.097(3) 0.0511(19) 0.072(2) 0.0097(17) -0.0045(19) 0.0292(17) C27 0.087(3) 0.058(2) 0.064(2) 0.0063(18) 0.0172(18) 0.0011(16) C28 0.080(2) 0.0525(19) 0.0547(17) -0.0009(16) -0.0091(16) 0.0001(15) C29 0.0392(12) 0.0263(11) 0.0396(12) -0.0006(9) 0.0040(9) 0.0115(9) C30 0.0321(19) 0.054(2) 0.058(2) -0.0130(15) -0.0028(15) 0.0189(19) C31 0.045(2) 0.054(2) 0.0448(18) -0.0130(17) -0.0065(15) 0.0099(15) C32 0.062(3) 0.050(3) 0.073(5) 0.003(2) 0.027(2) 0.017(2) C33 0.054(4) 0.073(4) 0.062(4) -0.008(2) -0.000(2) 0.030(3) C34 0.075(3) 0.063(4) 0.046(3) 0.006(3) 0.002(3) 0.018(3) C35 0.069(4) 0.044(3) 0.060(2) 0.001(3) 0.009(3) 0.005(3) C36 0.0406(12) 0.0334(12) 0.0362(11) 0.0030(9) 0.0085(9) 0.0129(10) C37 0.0656(18) 0.0495(16) 0.0482(15) 0.0156(13) 0.0041(13) 0.0212(13) C38 0.0667(18) 0.0452(15) 0.0328(12) 0.0075(13) 0.0015(11) 0.0089(11) C39 0.079(2) 0.085(3) 0.0435(16) 0.0025(19) 0.0134(15) 0.0166(16) C40 0.074(2) 0.067(2) 0.0496(17) -0.0058(17) -0.0043(15) 0.0100(15) C41 0.071(2) 0.080(3) 0.075(2) 0.0365(19) 0.0153(17) 0.032(2) C42 0.085(2) 0.0476(17) 0.072(2) 0.0085(16) 0.0037(17) 0.0285(16) C43 0.0426(14) 0.0320(13) 0.083(2) 0.0043(11) 0.0120(14) 0.0121(13) C44 0.096(3) 0.077(3) 0.076(2) 0.006(2) -0.003(2) 0.032(2) C45 0.070(2) 0.067(2) 0.084(2) 0.0255(17) 0.0325(19) 0.0163(19) C46 0.094(3) 0.062(2) 0.069(2) 0.0247(19) 0.0217(19) 0.0063(18) C47 0.073(2) 0.089(3) 0.094(3) 0.012(2) 0.037(2) 0.029(2) C48 0.118(4) 0.090(3) 0.081(3) 0.012(3) 0.013(2) 0.042(2) C49 0.087(3) 0.099(3) 0.083(3) 0.008(2) -0.015(2) 0.016(2) C3A 0.075(5) 0.097(3) 0.058(2) 0.006(3) 0.031(2) -0.017(2) C4A 0.136(8) 0.070(3) 0.093(5) -0.002(4) 0.025(4) -0.001(3) C5A 0.129(8) 0.153(6) 0.059(4) 0.036(5) -0.017(4) 0.010(4) C31A 0.045(2) 0.054(2) 0.0448(18) -0.0130(17) -0.0065(15) 0.0099(15) C30A 0.0321(19) 0.054(2) 0.058(2) -0.0130(15) -0.0028(15) 0.0189(19) C32A 0.062(3) 0.050(3) 0.073(5) 0.003(2) 0.027(2) 0.017(2) C33A 0.054(4) 0.073(4) 0.062(4) -0.008(2) -0.000(2) 0.030(3) C34A 0.075(3) 0.063(4) 0.046(3) 0.006(3) 0.002(3) 0.018(3) C35A 0.069(4) 0.044(3) 0.060(2) 0.001(3) 0.009(3) 0.005(3) C17A 0.114(4) 0.068(5) 0.057(3) 0.015(3) 0.038(2) 0.028(2) C19A 0.114(4) 0.104(7) 0.085(5) 0.043(4) 0.054(4) 0.057(4) C18A 0.125(6) 0.096(7) 0.053(2) 0.008(5) 0.022(3) 0.026(4) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source _atom_type_scat_dispersion_source H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236 57.79970 0.0030380000826 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870 51.65120 0.215599998832 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' Li 0.00116 0.00033 1.12820 0.75080 0.61750 0.46530 3.95460 1.05240 85.39050 168.26100 0.0377000011504 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' O 0.05239 0.03377 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390 32.90890 0.250800013542 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' N 0.03256 0.01839 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750 0.58260 -11.5290002823 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' 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 Li3 Li1 Li2 53.22(15) . . Li4 Li1 Li2 66.14(15) . . Li4 Li1 Li3 65.82(16) . . Li6 Li1 Li2 109.70(17) . . Li6 Li1 Li3 65.97(15) . . Li6 Li1 Li4 118.1(2) . . O8 Li1 Li2 87.05(17) . . O8 Li1 Li3 47.16(13) . . O8 Li1 Li4 44.79(14) . . O8 Li1 Li6 74.03(16) . . O9 Li1 Li2 93.42(16) . . O9 Li1 Li2 141.6(2) 2_677 . O9 Li1 Li3 80.28(16) . . O9 Li1 Li3 163.4(2) 2_677 . O9 Li1 Li4 146.1(2) . . O9 Li1 Li4 123.1(2) 2_677 . O9 Li1 Li6 41.42(12) . . O9 Li1 Li6 97.88(19) 2_677 . O9 Li1 O8 127.1(2) 2_677 . O9 Li1 O8 111.0(2) . . O10 Li1 Li2 39.81(12) . . O10 Li1 Li3 42.17(12) . . O10 Li1 Li4 95.31(17) . . O10 Li1 Li6 72.23(14) . . O10 Li1 O8 89.32(17) . . O10 Li1 O9 55.91(11) . . O10 Li1 O9 139.0(2) . 2_677 O12 Li1 Li2 45.67(13) . . O12 Li1 Li3 85.52(16) . . O12 Li1 Li4 45.07(13) . . O12 Li1 Li6 151.4(2) . . O12 Li1 O8 88.43(17) . . O12 Li1 O9 110.7(2) . 2_677 O12 Li1 O9 134.9(2) . . O12 Li1 O10 85.44(16) . . Li3 Li2 Li1 63.08(16) . . O2 Li2 Li1 101.61(19) . . O2 Li2 Li3 48.61(15) . . O5 Li2 Li1 130.7(2) 2_677 . O5 Li2 Li3 156.9(3) 2_677 . O5 Li2 O2 127.2(3) 2_677 . O10 Li2 Li1 55.24(16) . . O10 Li2 Li3 48.70(16) . . O10 Li2 O2 94.4(2) . . O10 Li2 O5 119.2(2) . 2_677 O12 Li2 Li1 44.38(12) . . O12 Li2 Li3 92.68(19) . . O12 Li2 O2 102.38(19) . . O12 Li2 O5 109.8(3) . 2_677 O12 Li2 O10 99.6(2) . . Li2 Li3 Li1 63.70(16) . . O2 Li3 Li1 100.2(2) . . O2 Li3 Li2 46.17(14) . . O8 Li3 Li1 43.16(12) . . O8 Li3 Li2 92.8(2) . . O8 Li3 O2 103.0(2) . . O10 Li3 Li1 55.31(16) . . O10 Li3 Li2 45.82(14) . . O10 Li3 O2 89.3(2) . . O10 Li3 O8 98.5(2) . . O14 Li3 Li1 147.3(3) . . O14 Li3 Li2 143.8(3) . . O14 Li3 O2 112.5(3) . . O14 Li3 O8 122.9(3) . . O14 Li3 O10 124.2(3) . . O1 Li4 Li1 134.2(2) . . O3 Li4 Li1 130.9(2) . . O3 Li4 O1 94.95(19) . . O8 Li4 Li1 45.92(13) . . O8 Li4 O1 111.3(3) . . O8 Li4 O3 124.1(2) . . O12 Li4 Li1 47.55(13) . . O12 Li4 O1 115.3(2) . . O12 Li4 O3 120.6(3) . . O12 Li4 O8 91.94(18) . . O6 Li5 Li6 166.6(4) . . O7 Li5 Li6 50.90(16) . . O7 Li5 O6 134.8(3) . . O11 Li5 Li6 47.30(15) 2_677 . O11 Li5 O6 124.3(3) 2_677 . O11 Li5 O7 98.1(2) 2_677 . Li5 Li6 Li1 89.6(2) . . O7 Li6 Li1 63.88(15) . . O7 Li6 Li5 45.14(15) . . O9 Li6 Li1 46.68(14) . . O9 Li6 Li5 111.6(2) . . O9 Li6 O7 108.0(2) . . O11 Li6 Li1 119.0(2) 2_677 . O11 Li6 Li5 47.18(15) 2_677 . O11 Li6 O7 92.24(19) 2_677 . O11 Li6 O9 104.4(2) 2_677 . O13 Li6 Li1 109.3(2) . . O13 Li6 Li5 135.2(3) . . O13 Li6 O7 107.0(2) . . O13 Li6 O9 110.7(2) . . O13 Li6 O11 131.6(3) . 2_677 C1 O1 Li4 117.2(2) . . Li3 O2 Li2 85.2(2) . . C1 O2 Li2 133.4(2) . . C1 O2 Li3 121.5(2) . . C8 O3 Li4 130.2(2) . . C8 O4 H4 109.5 . . C15 O5 Li2 143.2(3) . 2_677 C15 O6 Li5 121.3(3) . . Li6 O7 Li5 84.0(2) . . C22 O7 Li5 162.4(2) . . C22 O7 Li6 113.05(18) . . Li3 O8 Li1 89.68(18) . . Li4 O8 Li1 89.29(19) . . Li4 O8 Li3 98.12(19) . . C22 O8 Li1 113.23(19) . . C22 O8 Li3 113.0(2) . . C22 O8 Li4 140.71(19) . . Li6 O9 Li1 91.91(19) . . Li6 O9 Li1 102.04(19) . 2_677 C29 O9 Li1 148.3(2) . 2_677 C29 O9 Li1 95.6(2) . . C29 O9 Li6 108.93(19) . . Li2 O10 Li1 84.95(19) . . Li3 O10 Li1 82.52(19) . . Li3 O10 Li2 85.5(2) . . C29 O10 Li1 85.7(2) . . C29 O10 Li2 149.1(3) . . C29 O10 Li3 122.3(2) . . Li6 O11 Li5 85.5(2) 2_677 2_677 C36 O11 Li5 121.2(2) . 2_677 C36 O11 Li6 135.0(2) . 2_677 Li2 O12 Li1 89.95(17) . . Li4 O12 Li1 87.38(18) . . Li4 O12 Li2 100.12(19) . . C36 O12 Li1 117.96(18) . . C36 O12 Li2 106.44(18) . . C36 O12 Li4 142.6(2) . . C43 O13 Li6 162.8(3) . . C43 O14 Li3 106.3(3) . . C2 N1 C1 122.7(3) . . C9 N2 C8 117.9(2) . . C10 N2 C8 123.9(3) . . C10 N2 C9 118.1(2) . . C16 N3 C15 122.5(3) . . C23 N4 C22 123.4(2) . . C24 N4 C22 120.1(2) . . C24 N4 C23 116.3(2) . . C31 N5 C30 115.2(3) . . C30A N5 C31A 110.6(6) . . C37 N6 C36 121.9(2) . . C38 N6 C36 120.8(2) . . C38 N6 C37 117.1(2) . . C44 N7 C43 118.4(3) . . C45 N7 C43 123.0(3) . . C45 N7 C44 118.4(3) . . O2 C1 O1 121.0(2) . . N1 C1 O1 119.9(2) . . N1 C1 O2 119.1(2) . . H2 C2 N1 102.69(19) . . C6 C2 N1 114.8(4) . . C6 C2 H2 102.7(3) . . C7 C2 N1 112.8(4) . . C7 C2 H2 102.7(3) . . C7 C2 C6 118.4(5) . . C4 C3 H3 111.0(5) . . C5 C3 H3 111.0(5) . . C5 C3 C4 104.3(8) . . H4a C4 C3 109.5 . . H4b C4 C3 109.5 . . H4b C4 H4a 109.5 . . H4c C4 C3 109.5 . . H4c C4 H4a 109.5 . . H4c C4 H4b 109.5 . . H5a C5 C3 109.5 . . H5b C5 C3 109.5 . . H5b C5 H5a 109.5 . . H5c C5 C3 109.5 . . H5c C5 H5a 109.5 . . H5c C5 H5b 109.5 . . H6a C6 C2 109.5 . . H6b C6 C2 109.5 . . H6b C6 H6a 109.5 . . H6c C6 C2 109.5 . . H6c C6 H6a 109.5 . . H6c C6 H6b 109.5 . . H7a C7 C2 109.5 . . H7b C7 C2 109.5 . . H7b C7 H7a 109.5 . . H7c C7 C2 109.5 . . H7c C7 H7a 109.5 . . H7c C7 H7b 109.5 . . O4 C8 O3 122.1(2) . . N2 C8 O3 124.2(3) . . N2 C8 O4 113.7(2) . . H9 C9 N2 107.25(15) . . C11 C9 N2 111.5(3) . . C11 C9 H9 107.3(2) . . C12 C9 N2 111.8(3) . . C12 C9 H9 107.3(2) . . C12 C9 C11 111.5(3) . . H10 C10 N2 106.00(16) . . C13 C10 N2 112.7(3) . . C13 C10 H10 106.0(2) . . C14 C10 N2 112.5(3) . . C14 C10 H10 106.0(2) . . C14 C10 C13 112.9(4) . . H11a C11 C9 109.5 . . H11b C11 C9 109.5 . . H11b C11 H11a 109.5 . . H11c C11 C9 109.5 . . H11c C11 H11a 109.5 . . H11c C11 H11b 109.5 . . H12a C12 C9 109.5 . . H12b C12 C9 109.5 . . H12b C12 H12a 109.5 . . H12c C12 C9 109.5 . . H12c C12 H12a 109.5 . . H12c C12 H12b 109.5 . . H13a C13 C10 109.5 . . H13b C13 C10 109.5 . . H13b C13 H13a 109.5 . . H13c C13 C10 109.5 . . H13c C13 H13a 109.5 . . H13c C13 H13b 109.5 . . H14a C14 C10 109.5 . . H14b C14 C10 109.5 . . H14b C14 H14a 109.5 . . H14c C14 C10 109.5 . . H14c C14 H14a 109.5 . . H14c C14 H14b 109.5 . . O6 C15 O5 123.2(3) . . N3 C15 O5 119.5(3) . . N3 C15 O6 117.3(3) . . H16 C16 N3 103.66(18) . . C20 C16 N3 113.9(3) . . C20 C16 H16 103.7(2) . . C21 C16 N3 114.0(3) . . C21 C16 H16 103.7(3) . . C21 C16 C20 115.9(4) . . C18 C17 H17 103.0(5) . . C19 C17 H17 103.0(5) . . C19 C17 C18 117.7(7) . . H18a C18 C17 109.5 . . H18b C18 C17 109.5 . . H18b C18 H18a 109.5 . . H18c C18 C17 109.5 . . H18c C18 H18a 109.5 . . H18c C18 H18b 109.5 . . H19a C19 C17 109.5 . . H19b C19 C17 109.5 . . H19b C19 H19a 109.5 . . H19c C19 C17 109.5 . . H19c C19 H19a 109.5 . . H19c C19 H19b 109.5 . . H20a C20 C16 109.5 . . H20b C20 C16 109.5 . . H20b C20 H20a 109.5 . . H20c C20 C16 109.5 . . H20c C20 H20a 109.5 . . H20c C20 H20b 109.5 . . H21a C21 C16 109.5 . . H21b C21 C16 109.5 . . H21b C21 H21a 109.5 . . H21c C21 C16 109.5 . . H21c C21 H21a 109.5 . . H21c C21 H21b 109.5 . . O8 C22 O7 120.3(2) . . N4 C22 O7 119.5(2) . . N4 C22 O8 120.2(2) . . H23 C23 N4 105.37(15) . . C25 C23 N4 113.2(3) . . C25 C23 H23 105.37(18) . . C26 C23 N4 113.6(3) . . C26 C23 H23 105.4(2) . . C26 C23 C25 113.0(3) . . H24 C24 N4 106.57(15) . . C27 C24 N4 111.8(3) . . C27 C24 H24 106.6(2) . . C28 C24 N4 111.5(3) . . C28 C24 H24 106.6(2) . . C28 C24 C27 113.3(3) . . H25a C25 C23 109.5 . . H25b C25 C23 109.5 . . H25b C25 H25a 109.5 . . H25c C25 C23 109.5 . . H25c C25 H25a 109.5 . . H25c C25 H25b 109.5 . . H26a C26 C23 109.5 . . H26b C26 C23 109.5 . . H26b C26 H26a 109.5 . . H26c C26 C23 109.5 . . H26c C26 H26a 109.5 . . H26c C26 H26b 109.5 . . H27a C27 C24 109.5 . . H27b C27 C24 109.5 . . H27b C27 H27a 109.5 . . H27c C27 C24 109.5 . . H27c C27 H27a 109.5 . . H27c C27 H27b 109.5 . . H28a C28 C24 109.5 . . H28b C28 C24 109.5 . . H28b C28 H28a 109.5 . . H28c C28 C24 109.5 . . H28c C28 H28a 109.5 . . H28c C28 H28b 109.5 . . O10 C29 O9 121.2(2) . . N5 C29 O9 121.6(2) . . N5 C29 O10 117.2(2) . . C32 C30 H30 107.3(3) . . C33 C30 H30 107.3(3) . . C33 C30 C32 113.2(5) . . C34 C31 H31 107.0(3) . . C35 C31 H31 107.0(3) . . C35 C31 C34 112.1(5) . . H32a C32 C30 109.5 . . H32b C32 C30 109.5 . . H32b C32 H32a 109.5 . . H32c C32 C30 109.5 . . H32c C32 H32a 109.5 . . H32c C32 H32b 109.5 . . H33a C33 C30 109.5 . . H33b C33 C30 109.5 . . H33b C33 H33a 109.5 . . H33c C33 C30 109.5 . . H33c C33 H33a 109.5 . . H33c C33 H33b 109.5 . . H34a C34 C31 109.5 . . H34b C34 C31 109.5 . . H34b C34 H34a 109.5 . . H34c C34 C31 109.5 . . H34c C34 H34a 109.5 . . H34c C34 H34b 109.5 . . H35a C35 C31 109.5 . . H35b C35 C31 109.5 . . H35b C35 H35a 109.5 . . H35c C35 C31 109.5 . . H35c C35 H35a 109.5 . . H35c C35 H35b 109.5 . . O12 C36 O11 121.0(2) . . N6 C36 O11 119.2(2) . . N6 C36 O12 119.8(2) . . H37 C37 N6 105.94(14) . . C41 C37 N6 112.4(3) . . C41 C37 H37 105.94(18) . . C42 C37 N6 112.9(3) . . C42 C37 H37 105.94(18) . . C42 C37 C41 113.0(3) . . H38 C38 N6 107.17(14) . . C39 C38 N6 110.7(2) . . C39 C38 H38 107.2(2) . . C40 C38 N6 111.6(3) . . C40 C38 H38 107.2(2) . . C40 C38 C39 112.7(3) . . H39a C39 C38 109.5 . . H39b C39 C38 109.5 . . H39b C39 H39a 109.5 . . H39c C39 C38 109.5 . . H39c C39 H39a 109.5 . . H39c C39 H39b 109.5 . . H40a C40 C38 109.5 . . H40b C40 C38 109.5 . . H40b C40 H40a 109.5 . . H40c C40 C38 109.5 . . H40c C40 H40a 109.5 . . H40c C40 H40b 109.5 . . H41a C41 C37 109.5 . . H41b C41 C37 109.5 . . H41b C41 H41a 109.5 . . H41c C41 C37 109.5 . . H41c C41 H41a 109.5 . . H41c C41 H41b 109.5 . . H42a C42 C37 109.5 . . H42b C42 C37 109.5 . . H42b C42 H42a 109.5 . . H42c C42 C37 109.5 . . H42c C42 H42a 109.5 . . H42c C42 H42b 109.5 . . O14 C43 O13 125.0(3) . . N7 C43 O13 119.4(3) . . N7 C43 O14 115.6(3) . . H44 C44 N7 103.4(2) . . C48 C44 N7 115.4(4) . . C48 C44 H44 103.4(3) . . C49 C44 N7 113.7(4) . . C49 C44 H44 103.4(3) . . C49 C44 C48 115.2(4) . . H45 C45 N7 103.4(2) . . C46 C45 N7 114.7(3) . . C46 C45 H45 103.4(2) . . C47 C45 N7 114.5(3) . . C47 C45 H45 103.4(3) . . C47 C45 C46 115.1(4) . . H46a C46 C45 109.5 . . H46b C46 C45 109.5 . . H46b C46 H46a 109.5 . . H46c C46 C45 109.5 . . H46c C46 H46a 109.5 . . H46c C46 H46b 109.5 . . H47a C47 C45 109.5 . . H47b C47 C45 109.5 . . H47b C47 H47a 109.5 . . H47c C47 C45 109.5 . . H47c C47 H47a 109.5 . . H47c C47 H47b 109.5 . . H48a C48 C44 109.5 . . H48b C48 C44 109.5 . . H48b C48 H48a 109.5 . . H48c C48 C44 109.5 . . H48c C48 H48a 109.5 . . H48c C48 H48b 109.5 . . H49a C49 C44 109.5 . . H49b C49 C44 109.5 . . H49b C49 H49a 109.5 . . H49c C49 C44 109.5 . . H49c C49 H49a 109.5 . . H49c C49 H49b 109.5 . . C4A C3A H3A 109.6(12) . . C5A C3A H3A 109.6(12) . . C5A C3A C4A 111(2) . . H4Aa C4A C3A 109.5 . . H4Ab C4A C3A 109.5 . . H4Ab C4A H4Aa 109.5 . . H4Ac C4A C3A 109.5 . . H4Ac C4A H4Aa 109.5 . . H4Ac C4A H4Ab 109.5 . . H5Aa C5A C3A 109.5 . . H5Ab C5A C3A 109.5 . . H5Ab C5A H5Aa 109.5 . . H5Ac C5A C3A 109.5 . . H5Ac C5A H5Aa 109.5 . . H5Ac C5A H5Ab 109.5 . . C34A C31A H31A 108.9(9) . . C35A C31A H31A 108.9(8) . . C35A C31A C34A 117.4(14) . . C32A C30A H30A 106.2(10) . . C33A C30A H30A 106.2(8) . . C33A C30A C32A 107.4(12) . . H32d C32A C30A 109.5 . . H32e C32A C30A 109.5 . . H32e C32A H32d 109.5 . . H32f C32A C30A 109.5 . . H32f C32A H32d 109.5 . . H32f C32A H32e 109.5 . . H33d C33A C30A 109.5 . . H33e C33A C30A 109.5 . . H33e C33A H33d 109.5 . . H33f C33A C30A 109.5 . . H33f C33A H33d 109.5 . . H33f C33A H33e 109.5 . . H34d C34A C31A 109.5 . . H34e C34A C31A 109.5 . . H34e C34A H34d 109.5 . . H34f C34A C31A 109.5 . . H34f C34A H34d 109.5 . . H34f C34A H34e 109.5 . . H35d C35A C31A 109.5 . . H35e C35A C31A 109.5 . . H35e C35A H35d 109.5 . . H35f C35A C31A 109.5 . . H35f C35A H35d 109.5 . . H35f C35A H35e 109.5 . . C19A C17A H17A 101.8(9) . . C18A C17A H17A 101.8(9) . . C18A C17A C19A 118.1(12) . . H19d C19A C17A 109.5 . . H19e C19A C17A 109.5 . . H19e C19A H19d 109.5 . . H19f C19A C17A 109.5 . . H19f C19A H19d 109.5 . . H19f C19A H19e 109.5 . . H18d C18A C17A 109.5 . . H18e C18A C17A 109.5 . . H18e C18A H18d 109.5 . . H18f C18A C17A 109.5 . . H18f C18A H18d 109.5 . . H18f C18A H18e 109.5 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Li1 Li1 2.951(8) 2_677 Li1 Li2 2.946(6) . Li1 Li3 2.930(6) . Li1 Li4 2.790(6) . Li1 Li6 3.051(6) . Li1 O8 2.005(5) . Li1 O9 2.221(5) . Li1 O9 1.941(4) 2_677 Li1 O10 2.430(5) . Li1 O12 2.061(5) . Li2 Li3 2.632(7) . Li2 O2 1.906(5) . Li2 O5 1.818(5) 2_677 Li2 O10 1.894(5) . Li2 O12 2.108(5) . Li3 O2 1.982(5) . Li3 O8 2.149(5) . Li3 O10 1.984(5) . Li3 O14 1.892(5) . Li4 O1 1.944(5) . Li4 O3 1.966(5) . Li4 O8 1.966(5) . Li4 O12 1.978(5) . Li5 Li6 2.599(6) . Li5 O6 1.793(5) . Li5 O7 1.853(5) . Li5 O11 1.912(5) 2_677 Li6 O7 2.028(5) . Li6 O9 2.019(5) . Li6 O11 1.916(4) 2_677 Li6 O13 1.800(5) . O1 C1 1.261(3) . O2 C1 1.263(3) . O3 C8 1.227(3) . O4 H4 0.8400 . O4 C8 1.320(3) . O5 C15 1.262(4) . O6 C15 1.264(4) . O7 C22 1.272(3) . O8 C22 1.279(3) . O9 C29 1.251(3) . O10 C29 1.261(3) . O11 C36 1.267(3) . O12 C36 1.288(3) . O13 C43 1.236(4) . O14 C43 1.275(4) . N1 C1 1.355(3) . N1 C2 1.436(4) . N1 C3 1.497(6) . N1 C3A 1.440(9) . N2 C8 1.351(3) . N2 C9 1.475(4) . N2 C10 1.483(4) . N3 C15 1.339(4) . N3 C16 1.458(4) . N3 C17 1.463(6) . N3 C17A 1.457(9) . N4 C22 1.343(3) . N4 C23 1.471(4) . N4 C24 1.483(3) . N5 C29 1.333(3) . N5 C30 1.414(4) . N5 C31 1.560(4) . N5 C31A 1.380(7) . N5 C30A 1.574(7) . N6 C36 1.350(3) . N6 C37 1.470(4) . N6 C38 1.483(3) . N7 C43 1.384(4) . N7 C44 1.453(5) . N7 C45 1.454(4) . C2 H2 1.0000 . C2 C6 1.484(6) . C2 C7 1.486(7) . C3 H3 1.0000 . C3 C4 1.559(8) . C3 C5 1.537(8) . C4 H4a 0.9800 . C4 H4b 0.9800 . C4 H4c 0.9800 . C5 H5a 0.9800 . C5 H5b 0.9800 . C5 H5c 0.9800 . C6 H6a 0.9800 . C6 H6b 0.9800 . C6 H6c 0.9800 . C7 H7a 0.9800 . C7 H7b 0.9800 . C7 H7c 0.9800 . C9 H9 1.0000 . C9 C11 1.504(5) . C9 C12 1.518(6) . C10 H10 1.0000 . C10 C13 1.506(6) . C10 C14 1.510(6) . C11 H11a 0.9800 . C11 H11b 0.9800 . C11 H11c 0.9800 . C12 H12a 0.9800 . C12 H12b 0.9800 . C12 H12c 0.9800 . C13 H13a 0.9800 . C13 H13b 0.9800 . C13 H13c 0.9800 . C14 H14a 0.9800 . C14 H14b 0.9800 . C14 H14c 0.9800 . C16 H16 1.0000 . C16 C20 1.476(6) . C16 C21 1.502(6) . C17 H17 1.0000 . C17 C18 1.507(8) . C17 C19 1.515(8) . C18 H18a 0.9800 . C18 H18b 0.9800 . C18 H18c 0.9800 . C19 H19a 0.9800 . C19 H19b 0.9800 . C19 H19c 0.9800 . C20 H20a 0.9800 . C20 H20b 0.9800 . C20 H20c 0.9800 . C21 H21a 0.9800 . C21 H21b 0.9800 . C21 H21c 0.9800 . C23 H23 1.0000 . C23 C25 1.518(5) . C23 C26 1.522(5) . C24 H24 1.0000 . C24 C27 1.508(5) . C24 C28 1.523(4) . C25 H25a 0.9800 . C25 H25b 0.9800 . C25 H25c 0.9800 . C26 H26a 0.9800 . C26 H26b 0.9800 . C26 H26c 0.9800 . C27 H27a 0.9800 . C27 H27b 0.9800 . C27 H27c 0.9800 . C28 H28a 0.9800 . C28 H28b 0.9800 . C28 H28c 0.9800 . C30 H30 1.0000 . C30 C32 1.531(6) . C30 C33 1.520(6) . C31 H31 1.0000 . C31 C34 1.508(6) . C31 C35 1.519(5) . C32 H32a 0.9800 . C32 H32b 0.9800 . C32 H32c 0.9800 . C33 H33a 0.9800 . C33 H33b 0.9800 . C33 H33c 0.9800 . C34 H34a 0.9800 . C34 H34b 0.9800 . C34 H34c 0.9800 . C35 H35a 0.9800 . C35 H35b 0.9800 . C35 H35c 0.9800 . C37 H37 1.0000 . C37 C41 1.517(5) . C37 C42 1.533(5) . C38 H38 1.0000 . C38 C39 1.523(4) . C38 C40 1.523(4) . C39 H39a 0.9800 . C39 H39b 0.9800 . C39 H39c 0.9800 . C40 H40a 0.9800 . C40 H40b 0.9800 . C40 H40c 0.9800 . C41 H41a 0.9800 . C41 H41b 0.9800 . C41 H41c 0.9800 . C42 H42a 0.9800 . C42 H42b 0.9800 . C42 H42c 0.9800 . C44 H44 1.0000 . C44 C48 1.466(6) . C44 C49 1.485(6) . C45 H45 1.0000 . C45 C46 1.506(5) . C45 C47 1.493(5) . C46 H46a 0.9800 . C46 H46b 0.9800 . C46 H46c 0.9800 . C47 H47a 0.9800 . C47 H47b 0.9800 . C47 H47c 0.9800 . C48 H48a 0.9800 . C48 H48b 0.9800 . C48 H48c 0.9800 . C49 H49a 0.9800 . C49 H49b 0.9800 . C49 H49c 0.9800 . C3A H3A 1.0000 . C3A C4A 1.512(9) . C3A C5A 1.512(9) . C4A H4Aa 0.9800 . C4A H4Ab 0.9800 . C4A H4Ac 0.9800 . C5A H5Aa 0.9800 . C5A H5Ab 0.9800 . C5A H5Ac 0.9800 . C31A H31A 1.0000 . C31A C34A 1.527(9) . C31A C35A 1.528(9) . C30A H30A 1.0000 . C30A C32A 1.522(9) . C30A C33A 1.531(9) . C32A H32d 0.9800 . C32A H32e 0.9800 . C32A H32f 0.9800 . C33A H33d 0.9800 . C33A H33e 0.9800 . C33A H33f 0.9800 . C34A H34d 0.9800 . C34A H34e 0.9800 . C34A H34f 0.9800 . C35A H35d 0.9800 . C35A H35e 0.9800 . C35A H35f 0.9800 . C17A H17A 1.0000 . C17A C19A 1.506(9) . C17A C18A 1.504(9) . C19A H19d 0.9800 . C19A H19e 0.9800 . C19A H19f 0.9800 . C18A H18d 0.9800 . C18A H18e 0.9800 . C18A H18f 0.9800 . loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_scale_group_code 0 0 -2 438448 4500 1 0 0 2 429242 4283 1 0 0 -3 11385 2987 1 0 0 -3 6583 5924 1 0 0 3 21038 2624 1 0 0 -4 3318252 122597 1 0 0 -4 3424150 139237 1 0 0 4 3636022 128246 1 0 0 5 1238189 48766 1 0 0 -5 1033059 55142 1 0 0 5 1270127 70820 1 0 0 -5 1120380 43610 1 0 0 -5 1143756 65259 1 0 0 5 1139442 58113 1 0 0 -5 1345532 54035 1 0 0 6 330522 47060 1 0 0 -6 271931 49410 1 0 0 6 314005 36529 1 0 0 -6 392050 42227 1 0 0 6 310614 53519 1 0 0 -6 316863 34738 1 0 0 -6 262361 42957 1 0 0 7 142413 17155 1 0 0 7 196593 27278 1 0 0 -7 126004 20883 1 0 0 -7 170294 18454 1 0 0 -7 197573 22585 1 0 0 8 1873187 87530 1 0 0 -8 1720146 81763 1 0 0 -9 60867 16645 1 0 0 -9 18843 14928 1 0 0 9 63061 17453 1 0 0 -10 268868 39703 1 0 0 -10 145909 53966 1 0 0 10 222878 36769 1 0 0 -11 2554 2208 1 0 0 11 12279 11676 1 0 0 -11 98 23718 1 0 0 -12 21255 15340 1 0 0 -12 11811 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2 6 9475 6241 1 -18 2 5 16759 7385 1 -18 2 5 69976 13555 1 -18 2 4 16489 7617 1 -18 2 4 43588 11037 1 -18 2 3 3016 4037 1 -18 2 3 17375 6229 1 -18 2 2 10 4767 1 -18 2 2 3775 2343 1 -18 2 1 4797 2366 1 -18 2 1 11139 5367 1 -18 2 0 3 5229 1 -18 1 6 5803 6355 1 -18 1 6 66 2620 1 -18 1 5 16401 8978 1 -18 1 5 37523 9976 1 -18 1 4 39275 11617 1 -18 1 4 115501 17404 1 -18 1 3 9814 3741 1 -18 1 3 56015 12651 1 -18 1 2 12301 5440 1 -18 1 2 26552 8179 1 -18 1 1 16 5552 1 -18 1 1 16 5096 1 -18 0 6 2584 3476 1 -18 0 6 8973 4210 1 -18 0 5 15209 7190 1 -18 0 5 31782 9677 1 -18 0 4 1 2058 1 -18 0 4 1 1599 1 -18 0 3 7451 3965 1 -18 0 3 38857 10123 1 -18 0 2 4317 3467 1 -18 0 1 21537 7169 1 -18 -1 5 27720 8228 1 -18 -1 4 50 2786 1 -18 -1 3 6817 4184 1 loop_ _restr_distance_atom_site_label_1 _restr_distance_atom_site_label_2 _restr_distance_site_symmetry_2 _restr_distance_target _restr_distance_target_weight_param _restr_distance_diff N3 C17 1 1.4700 0.0100 0.0072 N3 C17A 1 1.4700 0.0100 0.0135 N5 C30 1 1.4700 0.0100 0.0557 N5 C31 1 1.4700 0.0100 -0.0905 N5 C31A 1 1.4700 0.0100 0.0899 N5 C30A 1 1.4700 0.0100 -0.1044 C3 N1 1 1.4700 0.0100 -0.0267 C3 C4 1 1.5300 0.0100 -0.0294 C3 C5 1 1.5300 0.0100 -0.0074 C17 C18 1 1.5300 0.0100 0.0230 C17 C19 1 1.5300 0.0100 0.0152 C30 C32 1 1.5300 0.0100 -0.0009 C30 C33 1 1.5300 0.0100 0.0101 C31 C34 1 1.5300 0.0100 0.0215 C31 C35 1 1.5300 0.0100 0.0109 C3A N1 1 1.4700 0.0100 0.0298 C3A C4A 1 1.5300 0.0100 0.0185 C3A C5A 1 1.5300 0.0100 0.0182 C31A C34A 1 1.5300 0.0100 0.0027 C31A C35A 1 1.5300 0.0100 0.0018 C30A C32A 1 1.5300 0.0100 0.0080 C30A C33A 1 1.5300 0.0100 -0.0008 C17A C19A 1 1.5300 0.0100 0.0240 C17A C18A 1 1.5300 0.0100 0.0259 loop_ _restr_u_iso_atom_site_label _restr_u_iso_weight_param N3 0.1000 C17 0.1000 C18 0.1000 C19 0.1000 loop_ _restr_u_rigid_atom_site_label_1 _restr_u_rigid_atom_site_label_2 _restr_u_rigid_target_weight_param _restr_u_rigid_u_parallel _restr_u_rigid_diff N1 C3 0.0100 0.0540 -0.0001 N1 C4 0.0100 0.0586 -0.0117 N1 C5 0.0100 0.0533 -0.0044 N5 C30 0.0100 0.0466 0.0098 N5 C31 0.0100 0.0587 0.0235 N5 C32 0.0100 0.0603 0.0152 N5 C33 0.0100 0.0560 0.0055 N5 C34 0.0100 0.0547 0.0124 N5 C35 0.0100 0.0483 0.0164 C3 C4 0.0100 0.1208 -0.0009 C3 C5 0.0100 0.1122 -0.0063 C4 C5 0.0100 0.1435 0.0002 C30 C31 0.0100 0.0604 0.0027 C30 C32 0.0100 0.0633 0.0151 C30 C33 0.0100 0.0610 0.0007 C31 C34 0.0100 0.0652 0.0010 C31 C35 0.0100 0.0483 0.0058 C32 C33 0.0100 0.0746 -0.0090 C34 C35 0.0100 0.0676 0.0007 loop_ _restr_u_similar_atom_site_label_1 _restr_u_similar_atom_site_label_2 _restr_u_similar_weight_param N1 C3 0.0200 N3 C17 0.0200 N5 C30 0.0200 N5 C31 0.0200 C3 C4 0.0200 C3 C5 0.0200 C17 C18 0.0200 C17 C19 0.0200 C30 C32 0.0200 C30 C33 0.0200 C31 C34 0.0200 C31 C35 0.0200