#------------------------------------------------------------------------------ #$Date: 2026-09-24 07:48:01 +0100 (Thu, 24 Sep 2026) $ #$Revision: 306902 $ #$URL: svn://www.crystallography.net/cod/cif/4/51/95/4519536.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_4519536 loop_ _publ_author_name 'Kapustin, Eugene A.' 'Lee, Seungkyu' 'Alshammari, Ahmad S.' 'Yaghi, Omar M.' _publ_section_title ; Molecular Retrofitting Adapts a Metal--Organic Framework to Extreme Pressure ; _journal_issue 6 _journal_name_full 'ACS Central Science' _journal_page_first 662 _journal_page_last 667 _journal_paper_doi 10.1021/acscentsci.7b00169 _journal_volume 3 _journal_year 2017 _chemical_absolute_configuration ad _chemical_formula_moiety 'C34 H21 Al2 O10' _chemical_formula_sum 'C34 H21 Al2 O10' _chemical_formula_weight 643.47 _chemical_name_common 'MOF-520-BPDC_2.86 GPa' _space_group_crystal_system tetragonal _space_group_IT_number 94 _space_group_name_Hall 'P 4n 2n' _space_group_name_H-M_alt 'P 42 21 2' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 19.086(2) _cell_length_b 19.086(2) _cell_length_c 36.593(3) _cell_measurement_reflns_used 5896 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 14.35 _cell_measurement_theta_min 2.27 _cell_volume 13330(2) _computing_cell_refinement 'SAINT V8.34A Bruker-AXS, Madison WI' _computing_data_collection 'Bruker APEX2 Bruker-AXS, Madison WI' _computing_data_reduction 'SAINT V8.34A Bruker-AXS, Madison WI' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2015)' _computing_structure_solution 'XS (Sheldrick, 2008)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.469 _diffrn_measured_fraction_theta_max 0.795 _diffrn_measurement_device_type 'Perkin Elmer CMOS' _diffrn_measurement_method '\w 80 degrees scan' _diffrn_radiation_monochromator 'silicon 111' _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.49594 _diffrn_reflns_av_R_equivalents 0.0528 _diffrn_reflns_av_unetI/netI 0.0543 _diffrn_reflns_Laue_measured_fraction_full 0.469 _diffrn_reflns_Laue_measured_fraction_max 0.795 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 36 _diffrn_reflns_limit_l_min -36 _diffrn_reflns_number 16805 _diffrn_reflns_point_group_measured_fraction_full 0.443 _diffrn_reflns_point_group_measured_fraction_max 0.768 _diffrn_reflns_theta_full 17.311 _diffrn_reflns_theta_max 14.352 _diffrn_reflns_theta_min 0.840 _diffrn_source ; Advanced Light Source, station 12.2.2 ; _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.032 _exptl_absorpt_correction_T_max 0.7438 _exptl_absorpt_correction_T_min 0.6296 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2014/4 (Bruker,2014/4) was used for absorption correction. wR2(int) was 0.0907 before and 0.0612 after correction. The Ratio of minimum to maximum transmission is 0.8465. The \l/2 correction factor is Not present. ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 0.641 _exptl_crystal_description block _exptl_crystal_F_000 2648 _exptl_crystal_size_max 0.04 _exptl_crystal_size_mid 0.04 _exptl_crystal_size_min 0.03 _refine_diff_density_max 0.146 _refine_diff_density_min -0.169 _refine_diff_density_rms 0.025 _refine_ls_abs_structure_details ; Flack x determined using 1761 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.7(2) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.083 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 416 _refine_ls_number_reflns 5361 _refine_ls_number_restraints 387 _refine_ls_restrained_S_all 1.062 _refine_ls_R_factor_all 0.0464 _refine_ls_R_factor_gt 0.0379 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0650P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1037 _refine_ls_wR_factor_ref 0.1089 _reflns_Friedel_coverage 0.680 _reflns_Friedel_fraction_full 0.410 _reflns_Friedel_fraction_max 0.732 _reflns_number_gt 4642 _reflns_number_total 5361 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file oc7b00169_si_003.cif _cod_data_source_block MOF520_BPDC_2.86GPa _cod_original_cell_volume 13330(3) _cod_database_code 4519536 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.7438 _shelx_estimated_absorpt_t_min 0.6296 _exptl_absorpt_special_details ; Data was collected in a Merril Bassett DAC. DAC opening angle of 40 degrees. The pressure of 2.86 GPa was measured via ruby method. The sample was collected by rotating 80 degrees. The data sets were merged in XPREP to produce the final data set. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All O(H) groups 2. Rigid body (RIGU) restrains O3, Al1, O1, O10, Al2, H1, C28, O2, O9, C1G, Al3, H2, C1, C6G, C2G, O4, C2, H6G, C5G, H2G, C3G, C7, C3, H5G, C4G, H3G, H7, C6, H3, C4, C5, H6, H4, C8, C13, C9, H13, C12, C10, H9, C21, C11, C14, C26, C22, H11, C19, C15, H26, C25, C23, H22, C18, H19, C16, H15, H25, C24, H23, C17, H18, H16, C27, C20, O8, O7, O5, O6, Al1, O1, Al1, O10, Al2, O1, O1, H1, O10, C28, Al2, O2, Al2, O3, Al2, O9, O9, C28, C28, C1G, Al3, O2, O2, H2, O3, C1, C6G, C1G, C2G, C1G, Al3, O4, O4, C1, C2, C1, C6G, H6G, C6G, C5G, C2G, H2G, C3G, C2G, C7, C2, C3, C2, C5G, H5G, C5G, C4G, C4G, C3G, C3G, H3G, C7, H7, C7, C6, C3, H3, C4, C3, C6, C5, C6, H6, C5, C4, C4, H4, C8, C5, C8, C13, C9, C8, C13, H13, C13, C12, C9, C10, C9, H9, C21, C12, C12, C11, C14, C10, C11, C10, C26, C21, C22, C21, C11, H11, C19, C14, C15, C14, C26, H26, C26, C25, C23, C22, C22, H22, C19, C18, C19, H19, C16, C15, C15, H15, C25, H25, C25, C24, C23, H23, C24, C23, C18, C17, C18, H18, C17, C16, C16, H16, C27, C24, C20, C17, O8, C27, O7, C27, O5, C20, O6, C20 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 3.a Aromatic/amide H refined with riding coordinates: O2(H2), O1(H1), C26(H26), C23(H23), C25(H25), C22(H22), C7(H7), C16(H16), C18(H18), C3(H3), C4(H4), C6(H6), C13(H13), C19(H19), C15(H15), C11(H11), C9(H9), C6G(H6G), C5G(H5G), C2G(H2G), C3G(H3G) ; _shelx_res_file ; TITL P6_25kev_0m in P42212 #94 REM reset to P42212 #94 CELL 0.49594 19.0859 19.0859 36.5933 90 90 90 ZERR 8 0.0024 0.0024 0.0025 0 0 0 LATT -1 SYMM 0.5-Y,0.5+X,0.5+Z SYMM -X,-Y,+Z SYMM 0.5+Y,0.5-X,0.5+Z SYMM 0.5+X,0.5-Y,0.5-Z SYMM 0.5-X,0.5+Y,0.5-Z SYMM +Y,+X,-Z SYMM -Y,-X,-Z SFAC C H O Al DISP Al 0.031 0.024 81.761 DISP C 0.001 0.001 6.243 DISP H -0 0 0.608 DISP O 0.004 0.003 13.948 UNIT 272 168 80 16 RIGU O3 Al1 O1 O10 Al2 H1 C28 O2 O9 C1G Al3 H2 C1 C6G C2G O4 C2 H6G C5G H2G = C3G C7 C3 H5G C4G H3G H7 C6 H3 C4 C5 H6 H4 C8 C13 C9 H13 C12 C10 H9 C21 C11 = C14 C26 C22 H11 C19 C15 H26 C25 C23 H22 C18 H19 C16 H15 H25 C24 H23 C17 H18 = H16 C27 C20 O8 O7 O5 O6 AL1 O1 AL1 O10 AL2 O1 O1 H1 O10 C28 AL2 O2 AL2 O3 = AL2 O9 O9 C28 C28 C1G AL3 O2 O2 H2 O3 C1 C6G C1G C2G C1G AL3 O4 O4 C1 C2 C1 = C6G H6G C6G C5G C2G H2G C3G C2G C7 C2 C3 C2 C5G H5G C5G C4G C4G C3G C3G H3G = C7 H7 C7 C6 C3 H3 C4 C3 C6 C5 C6 H6 C5 C4 C4 H4 C8 C5 C8 C13 C9 C8 C13 H13 = C13 C12 C9 C10 C9 H9 C21 C12 C12 C11 C14 C10 C11 C10 C26 C21 C22 C21 C11 H11 = C19 C14 C15 C14 C26 H26 C26 C25 C23 C22 C22 H22 C19 C18 C19 H19 C16 C15 C15 = H15 C25 H25 C25 C24 C23 H23 C24 C23 C18 C17 C18 H18 C17 C16 C16 H16 C27 C24 = C20 C17 O8 C27 O7 C27 O5 C20 O6 C20 L.S. 24 PLAN 20 TEMP 23 ACTA BOND ABIN fmap 2 REM REM REM WGHT 0.065000 FVAR 0.11374 AL1 4 0.664139 0.335861 0.500000 10.50000 0.02534 0.02534 = 0.02260 -0.00270 -0.00270 0.00370 AL2 4 0.618930 0.389708 0.416942 11.00000 0.02955 0.03335 = 0.02454 0.00170 -0.00196 0.00182 AL3 4 0.500000 0.500000 0.384931 10.50000 0.02842 0.02890 = 0.01787 0.00000 0.00000 0.00047 O2 3 0.567320 0.470699 0.418105 11.00000 0.02842 0.03197 = 0.02024 -0.00145 -0.00442 0.01003 AFIX 43 H2 2 0.575930 0.500628 0.437652 11.00000 -1.20000 AFIX 0 O3 3 0.642718 0.401688 0.365857 11.00000 0.03920 0.04848 = 0.03075 0.00273 0.00710 0.00781 O1 3 0.602094 0.366834 0.464544 11.00000 0.02232 0.03892 = 0.02872 0.00766 -0.01126 0.00231 AFIX 43 H1 2 0.555788 0.371359 0.472094 11.00000 -1.20000 AFIX 0 O4 3 0.559586 0.473403 0.345029 11.00000 0.05551 0.06262 = 0.02457 0.00128 0.00937 0.03135 C1 1 0.614132 0.438007 0.341143 11.00000 0.03646 0.04137 = 0.02379 0.00642 0.00921 0.01032 C26 1 0.769331 0.628017 0.139758 11.00000 0.12990 0.04169 = 0.03556 0.00868 -0.00048 0.01391 AFIX 43 H26 2 0.767838 0.627124 0.165157 11.00000 -1.20000 AFIX 0 C23 1 0.773105 0.630757 0.066761 11.00000 0.11186 0.03357 = 0.04334 0.00604 0.01218 -0.00927 AFIX 43 H23 2 0.771646 0.631024 0.041358 11.00000 -1.20000 AFIX 0 C20 1 0.979092 0.151719 0.110651 11.00000 0.04273 0.01515 = 0.02430 -0.00393 0.00485 0.00309 C25 1 0.779154 0.692561 0.122436 11.00000 0.10266 0.04117 = 0.03594 0.00873 0.00722 0.00736 AFIX 43 H25 2 0.782075 0.733908 0.135797 11.00000 -1.20000 AFIX 0 C22 1 0.764216 0.569490 0.084952 11.00000 0.10981 0.03080 = 0.04786 0.00726 0.02228 -0.01284 AFIX 43 H22 2 0.759703 0.528642 0.071297 11.00000 -1.20000 AFIX 0 C24 1 0.784294 0.692785 0.085333 11.00000 0.06518 0.03092 = 0.02961 0.00537 0.00449 0.00321 C27 1 0.806089 0.760276 0.067327 11.00000 0.03974 0.02592 = 0.03470 0.00592 0.00273 0.00250 C17 1 0.935087 0.208530 0.120163 11.00000 0.05646 0.02791 = 0.03007 0.00177 0.01532 0.00686 C7 1 0.615582 0.471312 0.276095 11.00000 0.07407 0.07530 = 0.04350 0.02117 0.02171 0.03317 AFIX 43 H7 2 0.577415 0.499981 0.281198 11.00000 -1.20000 AFIX 0 C21 1 0.761597 0.564441 0.120843 11.00000 0.06434 0.03593 = 0.05095 0.01050 0.02172 0.01302 C5 1 0.698402 0.432785 0.233742 11.00000 0.07073 0.04788 = 0.03478 0.01399 0.02054 0.01143 C16 1 0.868751 0.200896 0.137959 11.00000 0.06045 0.02926 = 0.06932 0.00208 0.03131 0.00200 AFIX 43 H16 2 0.854165 0.156222 0.144675 11.00000 -1.20000 AFIX 0 C8 1 0.732902 0.435562 0.198113 11.00000 0.07142 0.03799 = 0.04487 0.02208 0.02243 0.01529 C2 1 0.643079 0.430241 0.304125 11.00000 0.03019 0.03098 = 0.04027 0.00148 0.00946 -0.00306 C18 1 0.955064 0.278946 0.113112 11.00000 0.06691 0.03557 = 0.03978 -0.00058 0.01500 0.00048 AFIX 43 H18 2 0.998292 0.288311 0.102448 11.00000 -1.20000 AFIX 0 C3 1 0.698292 0.389312 0.296094 11.00000 0.06755 0.07075 = 0.05337 0.02233 0.02323 0.03056 AFIX 43 H3 2 0.716594 0.358324 0.313228 11.00000 -1.20000 AFIX 0 C4 1 0.726906 0.394800 0.261589 11.00000 0.07450 0.06320 = 0.04432 0.01417 0.02610 0.02944 AFIX 43 H4 2 0.768485 0.370961 0.257005 11.00000 -1.20000 AFIX 0 C14 1 0.845953 0.323079 0.139116 11.00000 0.08604 0.04003 = 0.05803 0.00868 0.04394 0.00981 C6 1 0.641388 0.471304 0.242555 11.00000 0.09011 0.07913 = 0.04616 0.02471 0.03365 0.04528 AFIX 43 H6 2 0.619866 0.498367 0.224648 11.00000 -1.20000 AFIX 0 C13 1 0.731841 0.498212 0.175322 11.00000 0.14453 0.04365 = 0.05434 0.01373 0.06150 0.03943 AFIX 43 H13 2 0.712876 0.539214 0.184846 11.00000 -1.20000 AFIX 0 C19 1 0.911186 0.333111 0.121891 11.00000 0.09409 0.03146 = 0.07705 0.00297 0.04598 0.00935 AFIX 43 H19 2 0.925054 0.378546 0.116234 11.00000 -1.20000 AFIX 0 C10 1 0.806556 0.382672 0.151995 11.00000 0.09870 0.03936 = 0.06051 0.02289 0.05073 0.02563 C15 1 0.830435 0.250560 0.144715 11.00000 0.07868 0.03482 = 0.06242 0.01024 0.03704 0.01449 AFIX 43 H15 2 0.786696 0.240111 0.154501 11.00000 -1.20000 AFIX 0 C12 1 0.756971 0.498936 0.141426 11.00000 0.10023 0.04276 = 0.04953 0.01206 0.03313 0.01950 C11 1 0.796856 0.444833 0.128854 11.00000 0.10345 0.04566 = 0.05542 0.01220 0.04547 0.02404 AFIX 43 H11 2 0.817677 0.447229 0.105911 11.00000 -1.20000 AFIX 0 C9 1 0.769626 0.378266 0.185213 11.00000 0.07693 0.04399 = 0.03568 0.01586 0.02293 0.01497 AFIX 43 H9 2 0.769941 0.336730 0.198500 11.00000 -1.20000 AFIX 0 O8 3 0.825037 0.808241 0.088026 11.00000 0.05456 0.02937 = 0.03051 -0.00180 0.00631 -0.00633 O10 3 0.733258 0.396023 0.481325 11.00000 0.02451 0.05292 = 0.03126 0.00533 0.00534 0.00200 O5 3 1.043416 0.166189 0.098218 11.00000 0.04402 0.02851 = 0.04031 -0.00203 0.01836 0.00275 O6 3 0.959683 0.090587 0.116721 11.00000 0.02828 0.02898 = 0.04842 -0.00683 0.00685 0.01346 O9 3 0.705603 0.438200 0.427810 11.00000 0.03033 0.03726 = 0.04516 0.01888 -0.00172 -0.00960 O7 3 0.801804 0.761592 0.031970 11.00000 0.05526 0.03622 = 0.02396 0.00816 -0.00033 -0.01468 C28 1 0.748053 0.428929 0.454099 11.00000 0.02400 0.04983 = 0.03398 0.00439 -0.00060 0.00524 C6G 1 0.850481 0.480685 0.421073 11.00000 0.02932 0.10026 = 0.06439 0.01709 -0.00275 -0.00199 AFIX 43 H6G 2 0.821719 0.492843 0.401563 11.00000 -1.20000 AFIX 0 C1G 1 0.822440 0.450535 0.449320 11.00000 0.02983 0.05588 = 0.03189 -0.00568 0.00195 0.00437 C5G 1 0.918670 0.494954 0.418832 11.00000 0.03955 0.14822 = 0.06685 0.01178 -0.00065 -0.01480 AFIX 43 H5G 2 0.937869 0.503634 0.395917 11.00000 -1.20000 AFIX 0 C2G 1 0.863416 0.439311 0.476958 11.00000 0.04936 0.26544 = 0.07539 0.06680 -0.01748 -0.03469 AFIX 43 H2G 2 0.846239 0.414880 0.497039 11.00000 -1.20000 AFIX 0 C4G 1 0.959349 0.497293 0.447009 11.00000 0.03598 0.19014 = 0.04183 0.01167 -0.01003 -0.01673 C3G 1 0.936475 0.464226 0.477407 11.00000 0.02618 0.16603 = 0.05222 0.00759 -0.01212 -0.00121 AFIX 43 H3G 2 0.965366 0.457541 0.497573 11.00000 -1.20000 AFIX 0 HKLF 4 REM P6_25kev_0m in P42212 #94 REM R1 = 0.0379 for 4642 Fo > 4sig(Fo) and 0.0464 for all 5361 data REM 416 parameters refined using 387 restraints END WGHT 0.0658 0.0000 REM Highest difference peak 0.146, deepest hole -0.169, 1-sigma level 0.025 Q1 1 0.7823 0.7655 0.1609 11.00000 0.05 0.15 Q2 1 0.9360 0.3399 0.0829 11.00000 0.05 0.12 Q3 1 0.6058 0.4966 0.2135 11.00000 0.05 0.12 Q4 1 0.8956 0.4376 0.5183 11.00000 0.05 0.12 Q5 1 0.6122 0.5616 0.3307 11.00000 0.05 0.12 Q6 1 0.8114 0.7679 -0.0008 11.00000 0.05 0.12 Q7 1 0.7407 0.7436 0.1396 11.00000 0.05 0.12 Q8 1 0.8567 0.7956 0.1209 11.00000 0.05 0.12 Q9 1 0.6379 0.5449 0.2392 11.00000 0.05 0.11 Q10 1 0.7248 0.3300 0.3427 11.00000 0.05 0.11 Q11 1 0.7209 0.5054 0.1079 11.00000 0.05 0.11 Q12 1 0.8151 0.8356 0.1140 11.00000 0.05 0.11 Q13 1 0.9451 0.2806 0.0823 11.00000 0.05 0.11 Q14 1 0.6913 0.3872 0.4131 11.00000 0.05 0.11 Q15 1 0.5352 0.5388 0.3388 11.00000 0.05 0.10 Q16 1 1.0865 0.1684 0.1076 11.00000 0.05 0.10 Q17 1 0.5071 0.3377 0.4771 11.00000 0.05 0.10 Q18 1 0.9259 0.2582 0.1502 11.00000 0.05 0.10 Q19 1 0.7479 0.5085 0.2190 11.00000 0.05 0.10 Q20 1 0.5220 0.3229 0.4811 11.00000 0.05 0.09 ; _shelx_res_checksum 57017 _shelx_hkl_file ; 0 1 0 -0.03 0.05 0 -1 0 -0.01 0.05 0 -2 0 26.02 1.39 0 2 0 27.99 1.40 1 2 0 349.53 16.88 -1 2 0 356.18 16.90 -1 -2 0 342.71 16.88 1 -2 0 358.85 16.89 0 3 0 0.28 0.20 0 -3 0 0.18 0.18 -1 3 0 50.94 2.72 -1 -3 0 55.89 2.71 1 -3 0 54.30 2.73 1 3 0 53.02 2.72 0 4 0 12.81 0.87 0 -4 0 13.69 0.88 1 4 0 0.25 0.22 -1 4 0 0.02 0.23 -1 -4 0 0.30 0.20 1 -4 0 0.07 0.21 2 4 0 198.11 9.83 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17 -13 3.50 1.99 2 17 13 2.76 1.31 2 -17 -13 2.12 1.12 -3 -17 -13 13.13 1.55 -3 17 13 15.23 2.04 3 -17 13 11.23 2.21 3 17 -13 12.80 2.50 -3 17 -13 12.73 2.39 3 17 13 11.17 1.80 3 -17 -13 14.46 1.74 -3 -17 13 11.54 2.10 -4 -17 -13 1.47 0.87 4 -17 13 4.59 2.14 4 17 -13 1.22 2.01 -4 17 -13 4.24 1.99 -4 -17 13 4.82 1.46 4 -17 -13 3.81 1.38 4 17 13 2.26 1.28 5 -17 13 2.38 2.01 5 17 -13 1.14 1.83 -5 17 -13 4.65 2.19 -5 -17 13 1.30 1.43 5 17 13 2.49 1.38 5 -17 -13 2.18 1.39 0 0 -14 73.45 3.72 0 0 14 75.88 3.71 0 -1 -14 70.85 3.58 -1 0 -14 75.15 3.67 1 0 -14 70.15 3.64 0 1 14 72.75 3.58 0 -1 14 72.48 3.69 1 0 14 72.03 3.66 0 1 -14 70.62 3.69 -1 0 14 80.76 3.64 1 1 -14 0.58 0.26 1 -1 14 0.07 0.29 1 1 14 0.29 0.19 -1 -1 14 0.28 0.20 -1 1 -14 0.32 0.30 0 -2 14 90.66 4.54 0 2 -14 84.29 4.52 2 0 14 94.37 4.48 2 0 -14 88.30 4.44 2 1 14 2.70 0.36 1 -2 14 3.58 0.47 2 -1 -14 2.92 0.34 1 2 -14 3.42 0.47 -1 2 -14 2.85 0.45 -1 -2 14 3.15 0.44 1 2 14 3.48 0.26 2 1 -14 3.16 0.44 2 -1 14 3.12 0.46 1 -2 -14 2.90 0.25 2 2 -14 65.95 3.18 2 -2 14 62.96 3.23 -2 -2 14 53.11 3.11 0 3 -14 40.99 2.31 0 -3 14 41.49 2.32 1 3 -14 2.72 0.50 1 -3 14 2.61 0.56 3 1 -14 3.05 0.46 3 -1 14 2.81 0.46 -1 3 -14 2.64 0.54 -1 -3 14 3.37 0.54 2 3 -14 140.60 6.91 2 -3 14 135.10 6.92 -2 3 -14 135.62 6.92 3 -2 14 145.95 6.93 3 2 -14 123.80 6.85 -2 -3 14 147.18 6.89 3 -3 14 49.32 2.71 3 3 -14 47.03 2.65 -3 -3 14 47.45 2.60 0 -4 14 36.23 2.11 0 4 -14 34.90 2.10 1 4 -14 8.96 0.95 1 -4 14 8.88 0.95 -1 -4 14 9.27 0.94 1 -4 -14 10.53 0.56 1 4 14 9.50 0.54 -1 4 -14 9.00 0.95 2 4 -14 35.44 2.19 2 -4 14 37.98 2.26 -2 4 -14 35.15 2.20 -2 -4 14 40.45 2.18 3 -4 14 27.68 1.81 3 4 -14 24.99 1.69 -3 4 -14 25.58 1.82 4 3 -14 28.03 1.67 -3 -4 14 25.25 1.61 4 -4 14 0.42 0.54 4 4 -14 -0.22 0.43 0 -5 14 19.53 1.40 0 -5 -14 18.88 0.96 0 5 -14 18.05 1.40 0 5 14 17.06 1.00 1 -5 14 32.90 1.96 1 5 -14 31.43 1.97 1 -5 -14 28.42 1.56 -1 5 -14 28.67 1.96 -1 -5 14 28.50 1.90 1 5 14 31.45 1.57 2 5 -14 43.58 2.62 2 -5 14 47.33 2.68 2 5 14 44.06 2.28 2 -5 -14 44.53 2.30 -2 5 -14 42.62 2.62 -2 -5 14 46.97 2.58 3 -5 14 2.06 0.65 3 5 -14 1.39 0.63 -3 5 -14 1.31 0.69 -3 -5 14 2.17 0.56 4 -5 14 90.14 4.77 4 5 -14 89.54 4.67 -4 -5 14 84.81 4.62 5 -5 14 0.65 0.66 0 6 14 11.97 0.81 0 -6 -14 13.61 0.79 0 -6 14 12.27 1.23 0 6 -14 12.81 1.27 1 -6 14 272.13 13.27 1 6 -14 270.43 13.26 1 6 14 254.67 12.93 -1 6 -14 262.67 13.26 -1 -6 14 269.21 13.23 1 -6 -14 276.19 12.92 2 -6 14 58.85 3.33 2 6 -14 54.71 3.28 -2 6 -14 54.92 3.28 2 6 14 56.14 2.94 2 -6 -14 59.45 2.98 -2 -6 14 61.50 3.28 3 -6 14 31.43 2.17 3 6 -14 33.42 2.14 3 6 14 32.30 1.82 -3 6 -14 36.46 2.26 -3 -6 14 34.06 2.10 4 6 -14 66.05 3.75 4 -6 14 71.85 3.87 -4 -6 14 60.06 3.62 -4 6 -14 70.98 3.87 5 6 -14 31.78 2.10 5 -6 14 31.47 2.24 0 7 -14 59.46 3.38 0 -7 -14 57.53 2.96 0 -7 14 62.86 3.40 0 7 14 54.16 2.98 1 7 -14 11.21 1.43 -1 -7 -14 15.42 0.91 1 -7 14 16.68 1.43 -1 -7 14 15.14 1.34 -1 7 -14 14.80 1.52 1 7 14 13.80 1.01 1 -7 -14 15.13 0.98 2 7 -14 51.10 2.98 2 -7 14 49.27 2.96 2 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0.62 0 -9 14 4.91 1.01 -1 -9 -14 19.19 1.27 -1 9 14 17.80 1.33 1 -9 14 17.35 1.74 1 9 -14 19.02 1.78 -1 9 -14 18.89 1.85 -1 -9 14 19.83 1.67 1 -9 -14 19.67 1.34 1 9 14 19.31 1.35 2 -9 14 16.91 1.73 2 9 -14 17.02 1.68 -2 -9 -14 17.73 1.13 2 9 14 16.30 1.26 -2 9 -14 16.21 1.71 2 -9 -14 18.27 1.30 -2 -9 14 14.91 1.56 3 9 -14 3.09 0.87 3 -9 14 4.11 1.00 3 -9 -14 2.84 0.60 -3 9 -14 2.74 1.05 -3 -9 14 2.11 0.86 3 9 14 2.44 0.56 4 9 -14 10.69 1.40 4 -9 14 8.82 1.35 4 -9 -14 10.21 1.06 -4 -9 14 7.60 1.07 -4 9 -14 9.71 1.41 4 9 14 9.41 0.99 5 9 -14 61.34 3.50 5 -9 14 58.09 3.62 -5 9 -14 56.37 3.60 -5 -9 14 45.79 3.24 5 9 14 57.10 3.10 6 -9 14 20.86 2.07 6 9 -14 23.78 2.06 0 10 -14 3.05 1.13 0 10 14 2.47 0.63 0 -10 -14 2.72 0.57 0 -10 14 1.76 0.96 1 -10 14 7.49 1.24 -1 10 14 8.84 1.01 -1 -10 -14 8.53 0.88 1 10 -14 8.65 1.33 1 10 14 7.11 0.91 -1 10 -14 7.40 1.24 -1 -10 14 8.99 1.29 1 -10 -14 8.08 0.91 2 -10 14 4.28 1.17 2 10 -14 4.53 1.05 -2 -10 -14 3.58 0.57 2 -10 -14 4.91 0.77 2 10 14 4.51 0.71 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11 -14 46.77 3.25 -4 -11 14 49.95 3.13 4 -11 -14 47.14 2.85 4 11 14 46.32 2.85 -4 11 -14 50.15 3.39 5 11 -14 8.63 1.49 5 -11 14 4.60 1.36 -5 11 -14 7.31 1.48 5 -11 -14 5.16 1.03 5 11 14 6.95 0.99 -5 -11 14 6.94 1.22 6 11 -14 10.95 1.58 6 -11 14 10.83 1.72 -6 -11 14 10.25 1.43 6 11 14 10.92 1.25 7 11 -14 7.28 1.46 7 -11 14 -1.56 0.80 0 12 -14 4.15 1.38 0 -12 14 2.17 1.04 0 12 14 2.66 0.82 0 -12 -14 3.11 0.80 -1 12 14 1.98 0.75 1 12 -14 3.27 1.31 -1 -12 -14 3.10 0.74 1 -12 14 4.50 1.28 1 -12 -14 2.99 0.79 -1 -12 14 3.57 1.18 -1 12 -14 3.44 1.26 1 12 14 2.50 0.75 -2 12 14 24.74 1.93 2 12 -14 24.67 2.32 2 -12 14 25.27 2.30 -2 -12 -14 25.06 1.66 2 -12 -14 25.40 1.88 -2 -12 14 27.20 2.22 2 12 14 21.94 1.86 -2 12 -14 25.72 2.37 3 -12 14 1.64 1.25 -3 -12 -14 2.87 0.59 3 12 -14 3.49 1.23 3 -12 -14 3.27 0.81 -3 12 -14 3.18 1.18 3 12 14 3.84 0.88 -3 -12 14 2.88 1.17 4 -12 14 4.71 1.48 4 12 -14 4.58 1.45 4 12 14 4.74 0.90 -4 12 -14 5.54 1.52 4 -12 -14 3.89 0.85 -4 -12 14 4.33 1.36 5 -12 14 0.24 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1.45 -3 8 -21 10.75 1.41 3 8 21 9.57 0.82 3 -8 -21 10.30 0.87 -3 -8 21 10.89 1.32 4 8 -21 8.11 1.36 4 -8 21 7.06 1.24 -4 8 -21 5.94 1.22 -4 -8 21 7.02 1.09 4 8 21 6.66 0.71 4 -8 -21 6.09 0.71 5 8 -21 20.80 1.93 5 -8 21 15.78 1.90 -5 -8 21 18.46 1.63 6 -8 21 3.37 1.31 6 8 -21 4.46 1.34 7 -8 21 0.36 1.16 0 -9 21 49.75 3.19 0 -9 -21 46.52 2.44 0 9 -21 48.30 3.16 1 9 -21 13.97 1.69 1 -9 21 15.82 1.77 1 -9 -21 13.87 0.93 1 9 21 12.76 0.96 -1 9 -21 14.42 1.77 -1 -9 21 14.53 1.67 2 9 -21 0.93 0.87 2 -9 21 1.35 0.84 -2 9 -21 1.34 1.11 2 -9 -21 0.68 0.37 2 9 21 0.42 0.35 -2 -9 21 0.35 0.80 3 9 -21 5.00 1.18 3 -9 21 4.36 1.19 -3 -9 21 3.06 1.00 3 9 21 3.26 0.53 -3 9 -21 3.91 1.08 3 -9 -21 3.21 0.54 4 9 -21 8.21 1.34 4 -9 21 12.46 1.77 4 -9 -21 11.27 1.02 -4 -9 21 13.64 1.56 -4 9 -21 16.45 1.89 4 9 21 11.54 1.01 5 -9 21 2.10 1.18 5 9 21 0.51 0.43 -5 9 -21 1.14 1.09 5 -9 -21 -0.57 0.50 -5 -9 21 0.15 0.70 6 -9 21 10.33 1.72 6 9 -21 11.67 1.61 7 9 -21 20.64 2.21 0 10 21 -0.15 0.48 0 10 -21 0.71 0.94 0 -10 -21 0.03 0.34 0 -10 21 1.50 0.87 1 10 -21 20.97 2.18 1 -10 21 23.72 2.11 1 -10 -21 18.40 1.30 -1 10 -21 21.71 2.17 -1 -10 21 25.00 2.08 1 10 21 20.62 1.38 2 10 -21 1.66 1.22 2 -10 21 2.02 1.04 -2 -10 21 2.51 1.14 2 10 21 3.23 0.54 2 -10 -21 1.70 0.48 -2 10 -21 2.00 1.11 3 -10 21 13.01 1.77 3 10 -21 12.46 1.72 3 -10 -21 13.74 1.13 -3 -10 21 14.71 1.76 -3 10 -21 15.53 1.75 3 10 21 11.17 1.10 4 10 -21 11.55 1.65 4 -10 21 9.16 1.61 -4 10 -21 8.16 1.46 4 -10 -21 10.65 1.12 -4 -10 21 10.51 1.48 4 10 21 9.92 1.03 5 -10 21 9.92 1.66 5 10 -21 7.64 1.57 -5 -10 21 6.79 1.22 5 -10 -21 8.95 1.06 5 10 21 8.61 1.03 -5 10 -21 9.25 1.80 6 10 -21 8.16 1.56 6 -10 21 7.75 1.62 -6 -10 21 6.16 1.10 7 -10 21 9.46 1.84 7 10 -21 15.60 1.94 0 11 -21 -1.00 1.11 0 11 21 0.18 0.49 0 -11 -21 0.52 0.45 0 -11 21 0.28 0.93 1 11 -21 7.59 1.68 1 -11 21 6.83 1.47 -1 11 -21 8.60 1.67 1 11 21 5.89 0.81 1 -11 -21 6.26 0.70 -1 -11 21 6.52 1.32 2 11 -21 9.32 1.53 2 -11 21 10.90 1.75 -2 11 -21 9.73 1.70 -2 -11 21 9.72 1.49 2 -11 -21 9.79 1.01 2 11 21 10.92 1.04 3 11 -21 3.99 1.46 3 -11 21 4.09 1.25 3 -11 -21 3.73 0.62 -3 -11 21 4.16 1.32 3 11 21 3.55 0.71 -3 11 -21 5.71 1.55 4 -11 21 3.33 1.45 4 11 -21 5.35 1.52 -4 -11 21 4.22 1.16 4 11 21 2.43 0.75 4 -11 -21 4.99 0.79 -4 11 -21 4.45 1.50 5 11 -21 5.28 1.51 5 -11 21 4.33 1.62 5 11 21 5.68 0.88 -5 -11 21 6.32 1.38 -5 11 -21 4.67 1.53 5 -11 -21 4.95 0.88 6 -11 21 3.66 1.38 6 -11 -21 0.22 0.63 -6 -11 21 2.95 1.11 6 11 21 3.79 0.76 7 11 -21 14.94 2.11 7 -11 21 13.77 1.94 0 -12 -21 1.20 0.45 0 -12 21 1.42 1.17 0 12 -21 1.11 1.33 0 12 21 0.31 0.62 1 -12 21 4.32 1.29 1 12 -21 5.39 1.51 -1 -12 -21 3.52 0.52 -1 -12 21 2.72 1.14 -1 12 -21 4.29 1.59 1 -12 -21 3.47 0.62 1 12 21 2.47 0.68 2 -12 21 6.79 1.55 2 12 -21 4.56 1.59 2 -12 -21 4.75 0.81 -2 -12 21 5.86 1.39 2 12 21 5.57 0.86 -2 12 -21 5.83 1.76 3 12 -21 17.14 2.18 3 -12 21 14.40 1.94 -3 12 -21 17.36 2.27 3 -12 -21 15.14 1.29 3 12 21 12.27 1.29 -3 -12 21 13.59 1.87 4 12 -21 8.66 1.76 4 -12 21 8.12 1.67 4 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6.08 1.85 6 -13 21 17.10 2.52 6 13 -21 14.53 2.20 6 -13 -21 16.77 1.75 -6 13 -21 14.53 2.49 6 13 21 14.80 1.62 -6 -13 21 14.82 1.88 7 13 -21 8.61 2.22 7 -13 21 8.60 2.09 7 13 21 7.57 1.16 8 -13 21 0.09 1.60 0 14 -21 3.99 1.84 0 -14 21 2.40 1.28 0 -14 -21 2.54 0.65 0 14 21 1.25 0.90 1 14 -21 14.49 2.34 1 -14 21 10.48 2.03 -1 -14 -21 11.93 1.06 -1 14 21 10.30 1.34 1 14 21 10.97 1.31 -1 -14 21 14.02 2.02 1 -14 -21 10.26 1.19 -1 14 -21 11.87 2.17 2 14 -21 11.94 2.02 2 -14 21 10.44 1.69 -2 -14 21 8.52 1.66 -2 14 -21 12.37 2.15 2 14 21 7.94 1.15 2 -14 -21 8.73 1.06 3 -14 21 3.21 1.86 3 14 -21 1.29 1.94 3 14 21 3.68 0.94 -3 -14 21 4.70 1.44 3 -14 -21 4.24 0.91 -3 14 -21 3.79 1.83 4 14 -21 1.85 1.74 4 -14 21 0.87 1.37 -4 -14 21 4.37 1.55 -4 14 -21 1.76 1.76 4 14 21 1.53 0.83 4 -14 -21 1.43 0.80 5 14 -21 16.23 2.51 5 -14 21 19.38 2.87 5 14 21 16.91 1.63 -5 14 -21 19.26 2.81 6 -14 21 6.08 1.94 6 14 -21 5.58 2.01 6 -14 -21 4.86 1.13 -6 14 -21 2.84 2.05 6 14 21 3.97 1.03 -6 -14 21 2.77 1.32 0 -15 21 9.22 1.79 0 15 -21 10.44 2.28 0 15 21 8.66 1.16 0 -15 -21 6.13 0.87 -1 15 21 2.92 1.00 1 -15 21 0.23 1.56 -1 -15 -21 2.80 0.73 1 15 -21 2.67 1.77 1 15 21 3.09 0.94 1 -15 -21 4.80 0.89 -1 -15 21 4.55 1.63 -1 15 -21 3.23 1.78 2 15 -21 -0.79 1.99 2 -15 21 -0.18 1.31 -2 15 -21 0.56 1.70 2 -15 -21 0.61 0.72 -2 -15 21 0.47 1.55 2 15 21 0.78 0.94 3 -15 21 2.90 1.61 3 15 -21 3.84 2.00 3 -15 -21 1.51 0.84 -3 15 -21 4.73 2.01 3 15 21 1.79 0.94 -3 -15 21 0.97 1.46 4 -15 21 6.67 1.96 4 15 -21 4.94 1.95 -4 -15 21 2.89 1.44 4 -15 -21 4.95 1.10 -4 15 -21 4.74 1.96 4 15 21 3.58 1.18 0 0 22 9.73 0.77 0 0 -22 9.64 0.82 1 0 22 6.81 0.72 0 1 22 6.87 0.55 0 1 -22 5.90 0.74 0 -1 -22 6.68 0.63 -1 0 22 7.59 0.63 0 -1 22 7.80 0.73 1 0 -22 5.93 0.69 1 -1 -22 12.32 0.83 1 1 22 12.03 0.84 -1 -1 22 11.87 0.92 1 -1 22 12.80 1.01 1 1 -22 11.37 0.97 -1 1 -22 12.09 1.03 0 2 -22 71.80 3.93 0 -2 22 74.57 3.92 2 0 -22 73.11 3.83 2 0 22 79.06 3.86 2 -1 -22 33.43 1.90 2 1 22 34.91 1.92 1 2 -22 34.39 2.09 1 -2 22 36.74 2.10 2 1 -22 31.72 2.00 2 -1 22 38.82 2.07 1 -2 -22 34.04 1.79 -1 2 -22 34.73 2.05 1 2 22 35.26 1.78 -1 -2 22 35.23 2.05 -2 2 -22 14.07 1.20 2 2 -22 14.33 1.19 -2 -2 22 15.53 1.11 2 -2 -22 14.84 0.92 2 2 22 15.62 0.93 2 -2 22 16.87 1.24 3 0 22 13.06 1.05 0 -3 22 13.16 1.17 3 0 -22 12.37 1.00 0 3 -22 13.23 1.16 1 -3 22 47.54 2.63 3 1 22 45.39 2.44 1 3 -22 45.76 2.64 3 -1 -22 41.16 2.39 -1 3 -22 46.21 2.63 3 1 -22 45.73 2.53 3 -1 22 42.81 2.51 -1 -3 22 47.24 2.58 2 -3 22 10.66 1.09 3 -2 -22 9.05 0.69 2 3 -22 9.24 1.13 3 2 22 9.42 0.75 -2 3 -22 10.47 1.15 3 2 -22 9.30 0.95 2 3 22 9.41 0.60 -2 -3 22 9.13 0.94 3 -2 22 8.85 1.06 2 -3 -22 8.31 0.58 3 3 -22 30.65 1.93 3 3 22 25.76 1.51 3 -3 -22 26.81 1.49 3 -3 22 31.05 1.98 4 0 22 119.87 6.03 0 -4 22 114.17 6.11 4 0 -22 124.24 5.99 0 4 -22 115.62 6.15 1 4 -22 31.86 2.12 1 -4 22 32.65 2.09 4 -1 22 30.21 1.97 4 1 -22 31.49 1.93 -1 -4 22 33.06 2.05 -1 4 -22 31.50 2.08 2 -4 22 4.03 0.80 2 4 -22 3.42 0.77 -2 4 -22 2.81 0.74 2 -4 -22 2.92 0.26 4 -2 22 2.46 0.61 4 2 -22 4.35 0.77 -2 -4 22 3.73 0.71 3 -4 22 0.30 0.72 3 4 -22 0.63 0.65 4 3 -22 0.66 0.60 -3 -4 22 0.14 0.40 4 -3 22 0.41 0.61 -3 4 -22 -1.19 0.70 4 4 -22 40.18 2.53 4 -4 22 41.71 2.66 0 -5 22 4.79 0.89 0 5 -22 5.06 0.83 1 5 -22 86.91 4.83 1 -5 22 90.94 4.85 -1 -5 22 90.33 4.80 -1 5 -22 89.07 4.84 2 -5 22 15.39 1.51 2 5 -22 15.13 1.44 -2 5 -22 14.97 1.50 -2 -5 22 13.33 1.35 5 -2 22 14.84 1.43 5 2 -22 13.12 1.25 3 -5 22 8.56 1.14 3 5 -22 9.62 1.29 -3 -5 22 9.07 1.08 5 -3 22 9.68 1.21 5 3 -22 9.19 1.13 -3 5 -22 9.51 1.16 4 5 -22 37.35 2.47 4 -5 22 37.44 2.53 5 4 -22 38.58 2.48 5 -4 22 36.72 2.51 5 5 -22 15.17 1.52 5 -5 22 15.32 1.61 0 -6 22 30.18 2.18 0 6 -22 32.61 2.24 1 6 -22 7.13 1.09 1 -6 22 7.08 1.13 -1 6 -22 6.64 1.10 -1 -6 22 7.73 1.06 2 6 -22 51.68 3.08 2 -6 22 46.40 3.08 2 -6 -22 51.57 2.43 -2 -6 22 49.08 2.99 -2 6 -22 46.22 3.03 3 6 -22 29.98 2.21 3 -6 22 30.34 2.28 3 -6 -22 30.26 1.67 3 6 22 32.25 1.64 -3 -6 22 30.73 2.13 -3 6 -22 32.56 2.25 4 -6 22 21.88 1.97 4 6 -22 21.54 1.83 -4 -6 22 20.54 1.61 5 6 -22 5.36 0.96 5 -6 22 4.02 1.10 6 -5 22 -0.41 0.82 6 5 -22 2.88 0.81 6 -6 22 0.96 1.03 6 6 -22 0.13 0.77 0 7 -22 18.33 1.75 0 -7 22 18.74 1.73 1 -7 22 0.83 0.85 1 7 -22 1.45 0.88 -1 -7 22 0.81 0.69 -1 7 -22 1.36 0.89 2 7 -22 35.15 2.51 2 -7 22 34.93 2.43 -2 -7 22 34.36 2.32 2 -7 -22 35.53 1.76 -2 7 -22 31.39 2.47 2 7 22 32.44 1.75 3 -7 22 39.90 2.70 3 7 -22 35.93 2.57 3 7 22 33.35 1.91 3 -7 -22 38.73 1.95 -3 7 -22 34.13 2.54 -3 -7 22 35.54 2.39 4 7 -22 19.44 1.92 4 -7 22 19.27 1.88 -4 -7 22 20.15 1.65 -4 7 -22 18.87 1.94 4 7 22 17.09 1.13 5 7 -22 21.27 1.96 5 -7 22 20.18 2.06 6 7 -22 21.35 1.99 6 -7 22 17.87 2.13 0 -8 22 0.59 0.87 0 8 -22 0.64 1.09 1 -8 22 36.79 2.72 1 8 -22 39.32 2.80 1 -8 -22 40.91 2.04 -1 8 -22 42.11 2.89 -1 -8 22 41.85 2.75 2 -8 22 3.55 0.87 2 8 -22 1.65 1.08 2 -8 -22 2.63 0.36 2 8 22 3.10 0.40 -2 8 -22 2.87 1.10 -2 -8 22 3.15 0.99 3 8 -22 12.39 1.51 3 -8 22 10.69 1.48 -3 8 -22 13.27 1.62 3 8 22 11.62 0.88 3 -8 -22 13.14 0.92 -3 -8 22 14.08 1.50 4 -8 22 10.25 1.65 4 8 -22 11.62 1.52 -4 8 -22 13.82 1.60 -4 -8 22 11.39 1.40 4 8 22 11.24 0.89 4 -8 -22 10.46 0.98 5 8 -22 33.57 2.60 5 -8 22 34.80 2.70 -5 -8 22 32.60 2.34 6 -8 22 91.66 5.29 6 8 -22 88.51 5.19 7 -8 22 -1.15 0.99 0 9 -22 10.46 1.51 0 -9 22 12.96 1.57 1 9 -22 5.13 1.24 1 -9 22 3.35 1.09 1 -9 -22 5.87 0.58 -1 9 -22 2.87 1.08 -1 -9 22 5.50 1.05 1 9 22 5.54 0.60 2 -9 22 5.07 1.24 2 9 -22 5.68 1.29 -2 -9 22 6.02 1.08 -2 9 -22 6.84 1.28 2 9 22 5.92 0.66 2 -9 -22 6.25 0.67 3 -9 22 11.04 1.71 3 9 -22 10.37 1.61 3 -9 -22 10.61 0.91 3 9 22 10.60 0.90 -3 -9 22 9.20 1.37 -3 9 -22 11.76 1.56 4 9 -22 4.90 1.23 4 -9 22 4.45 1.35 4 9 22 4.46 0.60 -4 -9 22 4.21 0.95 -4 9 -22 5.29 1.34 4 -9 -22 2.66 0.62 5 -9 22 14.30 1.83 5 9 -22 10.69 1.65 -5 -9 22 10.05 1.32 5 9 22 9.86 0.97 6 9 -22 28.06 2.49 6 -9 22 26.30 2.56 7 -9 22 0.33 1.09 7 9 -22 2.08 1.11 0 10 -22 -0.57 1.03 0 -10 22 0.35 0.98 0 -10 -22 0.58 0.33 1 10 -22 1.91 1.14 1 -10 22 1.69 1.10 -1 10 -22 1.01 1.06 1 10 22 1.55 0.45 1 -10 -22 2.16 0.43 -1 -10 22 2.09 1.04 2 -10 22 13.29 1.76 2 10 -22 16.66 1.98 2 10 22 13.02 1.03 -2 -10 22 10.40 1.58 2 -10 -22 11.20 0.98 -2 10 -22 11.17 1.65 3 10 -22 5.64 1.31 3 -10 22 3.07 1.23 -3 10 -22 5.88 1.38 -3 -10 22 4.63 1.10 3 10 22 5.41 0.68 3 -10 -22 4.27 0.60 4 -10 22 3.17 1.20 4 10 -22 2.31 1.21 4 10 22 0.78 0.51 4 -10 -22 1.61 0.58 -4 -10 22 0.46 0.96 -4 10 -22 0.89 1.45 5 10 -22 3.08 1.31 5 -10 22 2.82 1.31 5 10 22 1.82 0.68 -5 -10 22 1.85 0.97 -5 10 -22 2.16 1.58 5 -10 -22 2.31 0.66 6 -10 22 6.04 1.53 6 10 -22 6.61 1.51 -6 -10 22 5.75 1.14 7 10 -22 44.53 3.43 7 -10 22 43.79 3.44 0 -11 22 12.39 1.73 0 -11 -22 12.28 0.94 0 11 -22 12.26 1.81 1 -11 22 6.48 1.56 1 11 -22 3.50 1.52 -1 -11 22 1.99 1.28 1 11 22 5.47 0.70 1 -11 -22 3.82 0.56 -1 11 -22 6.93 1.60 2 11 -22 5.34 1.26 2 -11 22 4.62 1.37 -2 11 -22 5.22 1.57 -2 -11 22 3.23 1.15 2 -11 -22 4.20 0.64 2 11 22 4.24 0.72 3 -11 22 25.64 2.74 3 11 -22 30.31 2.72 -3 -11 22 31.00 2.49 3 -11 -22 32.30 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6.29 0.74 -1 -3 23 4.37 0.74 -1 3 -23 5.99 0.85 3 -1 23 4.33 0.71 2 3 -23 2.65 0.55 2 -3 23 5.94 0.84 3 -2 -23 4.03 0.51 3 2 23 5.41 0.61 2 3 23 4.55 0.41 3 -2 23 5.57 0.83 2 -3 -23 4.59 0.40 -2 -3 23 4.91 0.71 3 2 -23 5.44 0.76 -2 3 -23 4.23 0.80 3 3 -23 1.33 0.66 3 3 23 1.75 0.32 3 -3 -23 0.75 0.29 3 -3 23 1.52 0.64 4 0 23 10.12 1.02 4 0 -23 10.07 0.94 0 4 -23 9.36 1.16 0 -4 23 9.31 1.13 4 1 23 146.95 7.28 1 4 -23 149.19 7.46 1 -4 23 143.08 7.43 -1 4 -23 145.32 7.45 4 1 -23 143.59 7.32 -1 -4 23 141.36 7.40 4 -1 23 151.26 7.40 2 -4 23 1.04 0.63 4 2 23 -0.36 0.37 2 4 -23 3.05 0.78 4 -2 23 1.92 0.68 -2 -4 23 2.88 0.68 4 2 -23 0.91 0.52 -2 4 -23 1.86 0.63 3 -4 23 26.86 1.92 3 4 -23 25.30 1.85 3 4 23 26.16 1.40 -3 4 -23 24.59 1.94 4 -3 23 25.58 1.95 4 3 -23 26.43 1.81 -3 -4 23 24.96 1.71 4 -4 23 12.73 1.36 4 4 -23 10.99 1.26 0 -5 23 51.75 3.03 0 5 -23 50.95 3.08 1 -5 23 11.90 1.29 1 5 -23 10.68 1.30 -1 -5 23 9.32 1.15 -1 5 -23 10.54 1.28 2 -5 23 51.17 2.98 2 5 -23 47.98 2.97 5 -2 23 49.10 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32.68 2.42 3 -7 23 27.30 2.34 3 7 23 31.61 1.67 -3 -7 23 28.42 2.14 -3 7 -23 31.84 2.38 3 -7 -23 32.79 1.69 4 -7 23 29.41 2.35 4 7 -23 29.80 2.20 4 7 23 25.76 1.52 -4 7 -23 27.99 2.32 -4 -7 23 27.12 2.00 5 -7 23 3.01 1.00 5 7 -23 1.19 0.97 6 -7 23 4.62 1.19 6 7 -23 4.32 1.06 7 -7 23 0.01 0.85 0 -8 23 6.78 1.28 0 8 -23 9.12 1.37 1 8 -23 11.62 1.56 1 -8 23 11.46 1.55 -1 8 -23 15.02 1.82 -1 -8 23 12.75 1.55 2 8 -23 27.29 2.25 2 -8 23 26.74 2.28 2 -8 -23 27.03 1.41 -2 8 -23 25.08 2.23 2 8 23 24.41 1.41 -2 -8 23 27.89 2.15 3 -8 23 13.29 1.66 3 8 -23 12.24 1.72 3 -8 -23 11.08 0.88 -3 8 -23 10.40 1.45 3 8 23 11.59 0.86 -3 -8 23 13.03 1.48 4 8 -23 20.60 2.17 4 -8 23 19.02 2.01 -4 -8 23 16.02 1.72 -4 8 -23 16.57 2.09 4 8 23 18.69 1.22 4 -8 -23 17.98 1.25 5 -8 23 86.74 5.14 5 8 -23 92.10 5.09 -5 -8 23 83.22 4.80 6 -8 23 12.17 1.81 6 8 -23 15.70 1.90 7 8 -23 2.00 1.06 7 -8 23 0.17 1.12 0 -9 23 3.79 1.13 0 9 -23 6.07 1.28 1 -9 23 6.27 1.26 1 9 -23 3.98 1.25 1 -9 -23 3.68 0.44 -1 9 -23 5.97 1.20 -1 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-3.6561 15 1 16 2.1672 7.8221 15 1 17 -1.5124 -2.0581 15 1 18 4.2347 -4.4867 15 1 19 -0.2214 -1.8722 15 1 20 -1.8503 1.1892 15 1 21 1.4417 0.7869 15 1 22 0.7653 -5.0521 15 2 0 -3.8753 -0.0000 15 2 1 12.8732 6.5411 15 2 2 -0.3311 -2.5763 15 2 3 4.2340 -7.5913 15 2 4 0.4140 13.3539 15 2 5 -1.4092 -9.2050 15 2 6 3.0062 3.4730 15 2 7 -2.5121 -2.0599 15 2 8 -0.4106 12.1847 15 2 9 -0.5219 -4.6638 15 2 10 4.7802 7.6551 15 2 11 3.0639 6.1437 15 2 12 -1.9213 7.2353 15 2 13 -0.4097 -8.2090 15 2 14 -1.5066 6.6758 15 2 15 2.0822 3.1959 15 2 16 2.7022 -2.7155 15 2 17 -0.6955 3.2234 15 2 18 1.8542 1.6802 15 2 19 4.2280 -0.0800 15 2 20 1.8794 0.2887 15 2 21 -0.6774 0.6578 15 2 22 7.3364 -3.3494 15 3 0 6.6379 0.0000 15 3 1 -3.8669 12.7470 15 3 2 5.3969 -1.9365 15 3 3 -0.8575 2.6128 15 3 4 6.0771 -0.8614 15 3 5 3.6948 3.9507 15 3 6 13.4571 -1.7051 15 3 7 4.4190 10.5003 15 3 8 -3.5411 3.9310 15 3 9 -5.0642 11.6082 15 3 10 2.2659 -5.0854 15 3 11 -3.2404 7.5931 15 3 12 -7.0771 3.3077 15 3 13 -3.9440 4.8597 15 3 14 7.8483 6.3692 15 3 15 -1.9307 0.7524 15 3 16 -0.2988 5.5722 15 3 17 2.7858 1.1738 15 3 18 -4.0751 1.5237 15 3 19 5.0176 -1.0773 15 3 20 -3.8169 2.2248 15 3 21 3.3704 -4.2104 15 4 0 1.9112 -0.0000 15 4 1 -14.0759 2.5741 15 4 2 -4.4420 -6.6263 15 4 3 -6.7486 -9.0590 15 4 4 1.9507 -1.4001 15 4 5 6.0389 2.6563 15 4 6 8.9763 -3.0657 15 4 7 -1.5703 -6.0120 15 4 8 1.9530 4.9266 15 4 9 4.7063 4.2016 15 4 10 -4.8218 -0.8462 15 4 11 0.8746 4.8437 15 4 12 6.9614 4.7619 15 4 13 3.6629 5.7196 15 4 14 -4.0599 -5.0824 15 4 15 7.1342 -1.6679 15 4 16 -1.7016 3.6343 15 4 17 5.4670 -4.1639 15 4 18 -1.0006 -0.5891 15 4 19 3.3526 2.1562 15 4 20 2.2212 2.3422 15 4 21 1.8500 0.0144 15 5 0 -7.0231 0.0000 15 5 1 6.9102 1.9144 15 5 2 -3.5212 5.2302 15 5 3 2.1706 -2.9691 15 5 4 -5.3590 6.6177 15 5 5 3.5596 -3.6009 15 5 6 -7.9080 1.9140 15 5 7 -4.5592 -5.3418 15 5 8 1.0483 6.4946 15 5 9 15.1278 1.6875 15 5 10 2.4605 0.9099 15 5 11 2.6073 -6.4949 15 5 12 5.7823 -1.4627 15 5 13 -6.3343 8.7125 15 5 14 2.2390 -0.8884 15 5 15 2.6774 -0.6093 15 5 16 5.9039 -2.5880 15 5 17 0.6961 -1.0496 15 5 18 5.0886 -3.0666 15 5 19 2.7467 -3.0150 15 5 20 2.9855 2.5630 15 6 0 -2.8546 -0.0000 15 6 1 1.4440 3.0596 15 6 2 1.4661 -2.0522 15 6 3 -5.4241 8.5078 15 6 4 -0.4722 1.3460 15 6 5 3.2723 1.1995 15 6 6 -0.8503 -0.7939 15 6 7 5.1276 5.7898 15 6 8 -4.1193 1.7672 15 6 9 0.4853 0.5691 15 6 10 -0.9888 -2.2190 15 6 11 -6.2993 -2.5924 15 6 12 2.0863 0.1982 15 6 13 7.8369 -1.1797 15 6 14 5.1782 8.9036 15 6 15 -5.3555 -3.9610 15 6 16 -0.8523 -5.1225 15 6 17 -4.8996 -2.8842 15 6 18 3.7897 3.3054 15 6 19 -1.1256 2.3107 15 7 0 -2.3777 0.0000 15 7 1 7.6392 2.1304 15 7 2 7.2470 -0.1856 15 7 3 -11.7546 5.0019 15 7 4 -2.2650 -0.6048 15 7 5 7.5067 -2.1782 15 7 6 2.1372 15.0865 15 7 7 -1.6398 -9.8387 15 7 8 -8.6979 -3.5706 15 7 9 -0.5540 -2.0298 15 7 10 2.2345 0.9263 15 7 11 -4.8093 2.1224 15 7 12 -2.0021 0.9690 15 7 13 -1.0170 -6.1591 15 7 14 -2.5937 1.2182 15 7 15 2.5294 3.6515 15 7 16 3.4523 1.5307 15 7 17 4.6871 -2.9291 15 7 18 0.7972 4.3271 15 8 10 -4.9211 3.0623 15 8 11 6.2962 -1.1803 15 8 12 22.3826 -2.3377 15 8 13 1.4478 11.6139 15 8 14 13.9010 -6.5554 15 8 15 18.5686 -3.1325 15 8 16 -1.7005 6.2572 16 0 0 -1.0511 0.0000 16 0 1 0.0000 2.2435 16 0 2 -4.1356 0.0000 16 0 3 -0.0000 -8.1461 16 0 4 0.3191 0.0000 16 0 5 0.0000 7.5617 16 0 6 1.5157 -0.0000 16 0 7 -0.0000 -4.8036 16 0 8 1.8991 0.0000 16 0 9 -0.0000 -7.1198 16 0 10 -0.8233 0.0000 16 0 11 -0.0000 -6.6298 16 0 12 0.7967 0.0000 16 0 13 -0.0000 -9.4071 16 0 14 -1.3763 0.0000 16 0 15 -0.0000 -3.9552 16 0 16 6.9674 0.0000 16 0 17 0.0000 1.5706 16 0 18 -0.0222 0.0000 16 0 19 -0.0000 -3.0668 16 1 0 -2.2157 -0.0000 16 1 1 1.9022 3.0732 16 1 2 2.7427 0.6269 16 1 3 12.4966 3.3352 16 1 4 5.3072 8.9717 16 1 5 -0.1034 -2.0593 16 1 6 -3.8738 4.2207 16 1 7 2.1936 -3.3794 16 1 8 -4.9961 -4.4545 16 1 9 -0.1115 5.1262 16 1 10 -1.5908 10.4621 16 1 11 -2.5565 -2.2537 16 1 12 -3.1861 -5.8322 16 1 13 3.6631 -3.3920 16 1 14 -0.9802 -1.0141 16 1 15 -0.2718 0.9857 16 1 16 -0.1233 -0.0227 16 1 17 0.9568 1.3456 16 1 18 1.5830 -1.2490 16 1 19 2.0675 -1.2430 16 2 0 7.1979 -0.0000 16 2 1 0.6861 4.6389 16 2 2 -1.7527 -1.0250 16 2 3 -0.8075 1.5311 16 2 4 1.9088 1.3325 16 2 5 -7.0921 8.1108 16 2 6 1.2319 -3.8752 16 2 7 9.0732 10.1174 16 2 8 -0.4957 1.4170 16 2 9 -4.0117 -8.5236 16 2 10 4.1766 -0.0692 16 2 11 -3.6176 9.6590 16 2 12 2.2449 3.2282 16 2 13 -1.1882 -0.3806 16 2 14 1.3524 3.5463 16 2 15 1.2670 1.2892 16 2 16 0.1043 -4.5449 16 2 17 0.1732 -2.6410 16 2 18 -0.9360 4.0867 16 2 19 4.5866 4.7132 16 3 0 12.7409 -0.0000 16 3 1 -0.2659 -1.3786 16 3 2 8.9235 -5.1785 16 3 3 5.2540 -2.4153 16 3 4 0.7382 3.8642 16 3 5 5.8320 6.0741 16 3 6 -2.3143 1.9722 16 3 7 -1.2372 -1.4333 16 3 8 4.1347 0.5368 16 3 9 -2.4032 6.2581 16 3 10 -0.5207 -2.0641 16 3 11 7.3577 3.5671 16 3 12 -9.4854 -1.9392 16 3 13 -3.4720 2.4484 16 3 14 -0.6749 3.2097 16 3 15 -1.6367 -1.9469 16 3 16 5.6556 2.0159 16 3 17 -1.1356 -0.8329 16 3 18 -0.8831 0.3466 16 3 19 2.3752 -0.3236 16 4 0 -7.4814 0.0000 16 4 1 -1.7437 5.8298 16 4 2 0.2284 0.6573 16 4 3 -0.3015 2.3273 16 4 4 -5.8775 19.7693 16 4 5 0.8982 -0.4041 16 4 6 -2.3129 7.0943 16 4 7 -0.4025 -5.3286 16 4 8 3.5849 8.5016 16 4 9 -4.9293 -2.1895 16 4 10 -1.7607 3.0150 16 4 11 2.0182 3.2312 16 4 12 5.4116 4.3515 16 4 13 5.2058 -1.4130 16 4 14 -1.0924 0.6746 16 4 15 3.6439 0.9723 16 4 16 -0.0975 2.3807 16 4 17 -3.0239 -0.4436 16 4 18 -1.6534 4.8716 16 5 0 -17.2705 0.0000 16 5 1 1.7889 1.5860 16 5 2 0.7107 -7.8267 16 5 3 -0.7425 -4.6714 16 5 4 -6.4620 -5.0083 16 5 5 4.2343 -5.7749 16 5 6 -3.3670 -1.7930 16 5 7 13.9610 8.9306 16 5 8 -1.0964 -2.3234 16 5 9 6.7765 5.0707 16 5 10 7.4799 -2.2839 16 5 11 -1.2396 2.3205 16 5 12 -2.8975 -3.3321 16 5 13 1.0001 6.0786 16 5 14 2.2704 -1.6077 16 5 15 -1.7576 2.1745 16 5 16 2.4545 2.2980 16 5 17 1.2423 -4.0845 16 6 0 -7.2151 0.0000 16 6 1 -6.7049 -1.3676 16 6 2 -6.4573 -5.9083 16 6 3 -3.8155 -4.8657 16 6 4 -1.9417 5.5630 16 6 5 0.2238 -6.7529 16 6 6 3.9625 4.5094 16 6 7 -3.7492 2.4146 16 6 8 7.0098 4.7945 16 6 9 1.1994 3.9072 16 6 10 0.2661 2.7419 16 6 11 2.0267 2.1940 16 6 12 2.3743 -1.3015 16 6 13 0.4263 -2.1631 16 6 14 -3.2956 -0.3031 16 6 15 -3.3880 0.5330 16 6 16 1.9253 1.5780 16 7 0 -5.6869 0.0000 16 7 1 -0.6139 -4.5360 16 7 2 -8.8282 -3.1008 16 7 3 -5.3333 -4.7578 16 7 4 0.4475 -0.3728 16 7 5 -7.9567 8.5128 16 7 6 8.6453 -1.5144 16 7 7 8.5763 -2.2266 16 7 8 0.5059 -3.5333 16 7 9 2.9100 2.1655 16 7 10 3.4326 -5.5772 16 7 11 2.9544 6.4985 16 7 12 -5.3499 1.0511 16 7 13 -0.2126 0.1588 16 7 14 0.4422 -5.0760 16 8 1 0.7221 9.9595 16 8 3 1.1107 5.0223 16 8 4 27.8590 3.7579 16 8 5 -4.2114 -3.6556 16 8 6 -4.8369 -7.3884 16 8 7 -21.5636 11.0122 16 8 8 -3.9102 3.7555 16 8 9 -5.9098 2.6060 16 8 10 -2.0780 -5.1035 16 8 11 -5.4505 1.0533 16 8 12 -0.2934 -4.4430 17 0 1 5.6806 0.0000 17 0 2 0.0000 8.2426 17 0 3 -1.5718 0.0000 17 0 4 0.0000 0.7038 17 0 5 0.5467 -0.0000 17 0 6 -0.0000 -5.1194 17 0 7 -1.6269 0.0000 17 0 8 -0.0000 -2.2791 17 0 9 1.8470 0.0000 17 0 10 -0.0000 -1.5732 17 0 11 6.1132 0.0000 17 0 12 -0.0000 -9.5057 17 0 13 3.8406 0.0000 17 0 14 -0.0000 -1.0998 17 0 15 3.3776 0.0000 17 0 16 0.0000 0.2787 17 1 0 2.0075 0.0000 17 1 1 2.9203 4.1714 17 1 2 3.4083 -1.1172 17 1 3 9.9220 -10.0855 17 1 4 -3.1881 -3.3725 17 1 5 1.3770 1.7116 17 1 6 5.7826 -7.7316 17 1 7 -2.6817 4.2312 17 1 8 2.6921 -0.6393 17 1 9 1.4231 -1.9119 17 1 10 -1.2124 -2.9898 17 1 11 0.1547 -6.2792 17 1 12 0.5522 -3.4551 17 1 13 -0.9373 1.1097 17 1 14 -2.9955 2.0983 17 1 15 -3.2323 -2.8229 17 1 16 0.1147 1.1330 17 2 0 3.5532 0.0000 17 2 1 11.3765 -3.0505 17 2 2 -5.0434 5.0612 17 2 3 1.4246 4.6927 17 2 4 3.9714 -5.8843 17 2 5 6.7245 0.4009 17 2 6 -3.2215 -6.8063 17 2 7 3.3615 0.6501 17 2 8 -7.0092 -4.6537 17 2 9 -0.0414 -9.9606 17 2 10 0.1605 -5.8127 17 2 11 0.5170 -1.9017 17 2 12 -4.8536 -0.7906 17 2 13 2.3641 -2.2906 17 2 14 -0.4463 0.3243 17 2 15 2.9717 -5.5627 17 2 16 -0.2859 0.7462 17 3 0 1.7518 0.0000 17 3 1 2.1358 3.7968 17 3 2 6.4490 1.1104 17 3 3 4.1986 -3.5496 17 3 4 5.2016 5.6184 17 3 5 -0.0530 -13.2467 17 3 6 2.9110 6.7033 17 3 7 -3.5814 -3.8380 17 3 8 5.7376 2.5128 17 3 9 -3.5642 3.0775 17 3 10 8.6792 1.4345 17 3 11 2.9661 -3.0647 17 3 12 -0.2887 -6.4864 17 3 13 -0.2715 -3.5310 17 3 14 1.8450 5.3840 17 3 15 -3.6236 -1.5490 17 4 0 8.4755 -0.0000 17 4 1 8.1435 2.1338 17 4 2 -0.3605 -4.6207 17 4 3 7.1947 0.9929 17 4 4 -0.9485 -2.9061 17 4 5 0.9560 2.9342 17 4 6 -1.0597 -1.1629 17 4 7 8.4096 4.2419 17 4 8 0.5548 -5.7332 17 4 9 -4.3271 5.6859 17 4 10 -2.9574 -0.4305 17 4 11 -5.2542 6.7003 17 4 12 -3.7550 2.9579 17 4 13 -0.1216 0.4745 17 4 14 1.3078 4.7864 17 5 0 4.2647 -0.0000 17 5 1 -6.3592 0.8708 17 5 2 4.6758 2.9706 17 5 3 5.1515 5.0030 17 5 4 6.0977 -0.5344 17 5 5 5.0168 -0.4644 17 5 6 -5.5121 2.6166 17 5 7 -2.8764 -1.2647 17 5 8 -1.0213 2.4926 17 5 9 -1.1486 0.6139 17 5 10 1.0325 -1.6903 17 5 11 3.1943 -2.2487 17 5 12 3.7123 -4.8157 17 5 13 1.9131 -0.9280 17 6 0 -3.4931 0.0000 17 6 1 0.9668 3.3024 17 6 2 0.7129 -5.8974 17 6 3 1.7125 2.9215 17 6 4 -5.6297 -0.4395 17 6 5 8.4082 0.4631 17 6 6 1.1408 4.8053 17 6 7 -2.5037 1.7885 17 6 8 2.5873 -3.9915 17 6 9 3.1487 3.8774 17 6 10 -4.7083 5.1222 17 6 11 4.0214 0.5678 17 7 0 1.4085 0.0000 17 7 1 0.3429 -1.0003 17 7 2 7.8870 -6.2384 17 7 3 -7.3061 4.4818 17 7 4 -4.0565 0.4667 17 7 5 -1.3656 6.1062 17 7 6 -5.8805 4.1454 17 7 7 1.1835 6.2220 17 7 8 1.7957 -4.8541 17 7 9 3.6449 1.2925 17 8 0 -24.8477 0.0000 17 8 1 -18.3773 3.2874 17 8 2 -10.9433 -8.3081 17 8 3 5.2974 9.0611 17 8 4 0.2776 -1.5674 17 8 5 15.3705 -6.2694 17 8 6 -0.9148 -8.8635 18 0 0 0.6701 -0.0000 18 0 1 0.0000 2.0625 18 0 2 -4.9145 0.0000 18 0 3 0.0000 4.1479 18 0 4 -8.9260 0.0000 18 0 5 -0.0000 -1.8205 18 0 6 -1.0467 0.0000 18 0 7 0.0000 3.1110 18 0 8 4.7151 0.0000 18 0 9 -0.0000 -3.0377 18 0 10 5.6386 0.0000 18 0 11 -0.0000 -0.2869 18 0 12 9.7547 -0.0000 18 1 0 -1.7081 0.0000 18 1 1 -3.5335 1.3669 18 1 2 -8.5381 -2.1228 18 1 3 10.8865 -5.6547 18 1 4 3.5278 -3.1731 18 1 5 -0.5891 6.8506 18 1 6 -5.3019 -2.1757 18 1 7 7.6836 -1.9651 18 1 8 -1.0886 -4.0892 18 1 9 7.9687 -4.7213 18 1 10 0.3751 4.0340 18 1 11 2.1485 -1.3065 18 2 0 2.9778 0.0000 18 2 1 3.5353 3.5557 18 2 2 1.7035 2.4056 18 2 3 1.9756 -0.1929 18 2 4 -0.0485 -1.1360 18 2 5 -0.7795 1.5879 18 2 6 2.1272 -0.2661 18 2 7 4.2196 0.6615 18 2 8 -5.0093 3.0131 18 2 9 -9.2261 -3.0353 18 2 10 1.5613 0.0721 18 2 11 -0.4229 1.6331 18 3 0 4.6005 -0.0000 18 3 1 0.7435 -4.4701 18 3 2 -0.8794 0.8743 18 3 3 7.7904 0.5374 18 3 4 3.5263 -2.1347 18 3 5 1.8902 1.0716 18 3 6 -0.0204 -1.1654 18 3 7 7.1921 3.0503 18 3 8 3.7602 1.3198 18 3 9 -4.5832 1.2099 18 3 10 2.0319 -3.8669 18 4 0 0.5019 -0.0000 18 4 1 8.7346 -1.1105 18 4 2 2.3198 -2.2103 18 4 3 0.9058 0.8453 18 4 4 0.1563 0.7487 18 4 5 2.2991 -3.0083 18 4 6 1.9592 -8.0436 18 4 7 2.8354 -2.7219 18 4 8 2.9471 -3.4524 18 4 9 -0.1387 -4.1740 18 5 0 -3.1110 0.0000 18 5 1 2.1267 5.1933 18 5 2 2.2772 -1.2180 18 5 3 4.4519 0.3432 18 5 4 0.5620 6.9267 18 5 5 -1.4811 -3.5975 18 5 6 -2.2449 0.0959 18 5 7 1.3192 -3.4874 18 6 0 5.3286 -0.0000 18 6 1 7.5108 0.6427 18 6 2 -0.3601 -2.9593 18 6 3 -1.2233 -5.7558 19 0 1 -1.4925 0.0000 19 0 2 -0.0000 -6.6392 19 0 3 -3.8169 0.0000 19 1 0 0.6067 0.0000 19 1 1 1.9777 0.4201 19 1 2 -1.6861 4.6511 0 0 0 0.0 0.0 ; _shelx_fab_checksum 59009 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-y+1/2, x+1/2, z+1/2' '-x, -y, z' 'y+1/2, -x+1/2, z+1/2' 'x+1/2, -y+1/2, -z+1/2' '-x+1/2, y+1/2, -z+1/2' 'y, x, -z' '-y, -x, -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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Al1 Al 0.66414(7) 0.33586(7) 0.5000 0.0244(5) Uani 1 2 d S TU P . . Al2 Al 0.61893(8) 0.38971(8) 0.41694(3) 0.0291(4) Uani 1 1 d . U . . . Al3 Al 0.5000 0.5000 0.38493(4) 0.0251(5) Uani 1 2 d S TU P . . O2 O 0.56732(15) 0.47070(15) 0.41811(6) 0.0269(8) Uani 1 1 d . U . . . H2 H 0.5759 0.5006 0.4377 0.032 Uiso 1 1 calc R U . . . O3 O 0.64272(17) 0.40169(18) 0.36586(7) 0.0395(9) Uani 1 1 d . U . . . O1 O 0.60209(15) 0.36683(16) 0.46454(6) 0.0300(8) Uani 1 1 d . U . . . H1 H 0.5558 0.3714 0.4721 0.036 Uiso 1 1 calc R U . . . O4 O 0.5596(2) 0.47340(19) 0.34503(6) 0.0476(11) Uani 1 1 d . U . . . C1 C 0.6141(3) 0.4380(3) 0.34114(11) 0.0339(13) Uani 1 1 d . U . . . C26 C 0.7693(4) 0.6280(3) 0.13976(13) 0.069(2) Uani 1 1 d . U . . . H26 H 0.7678 0.6271 0.1652 0.083 Uiso 1 1 calc R U . . . C23 C 0.7731(4) 0.6308(3) 0.06676(13) 0.063(2) Uani 1 1 d . U . . . H23 H 0.7716 0.6310 0.0414 0.076 Uiso 1 1 calc R U . . . C20 C 0.9791(3) 0.1517(3) 0.11065(11) 0.0274(13) Uani 1 1 d . U . . . C25 C 0.7792(4) 0.6926(3) 0.12244(12) 0.0599(18) Uani 1 1 d . U . . . H25 H 0.7821 0.7339 0.1358 0.072 Uiso 1 1 calc R U . . . C22 C 0.7642(4) 0.5695(3) 0.08495(12) 0.0628(19) Uani 1 1 d . U . . . H22 H 0.7597 0.5286 0.0713 0.075 Uiso 1 1 calc R U . . . C24 C 0.7843(3) 0.6928(3) 0.08533(11) 0.0419(14) Uani 1 1 d . U . . . C27 C 0.8061(3) 0.7603(3) 0.06733(11) 0.0335(13) Uani 1 1 d . U . . . C17 C 0.9351(3) 0.2085(3) 0.12016(11) 0.0381(14) Uani 1 1 d . U . . . C7 C 0.6156(3) 0.4713(3) 0.27609(11) 0.0643(18) Uani 1 1 d . U . . . H7 H 0.5774 0.5000 0.2812 0.077 Uiso 1 1 calc R U . . . C21 C 0.7616(3) 0.5644(3) 0.12084(12) 0.0504(15) Uani 1 1 d . U . . . C5 C 0.6984(3) 0.4328(3) 0.23374(11) 0.0511(16) Uani 1 1 d . U . . . C16 C 0.8688(3) 0.2009(3) 0.13796(13) 0.0530(16) Uani 1 1 d . U . . . H16 H 0.8542 0.1562 0.1447 0.064 Uiso 1 1 calc R U . . . C8 C 0.7329(3) 0.4356(3) 0.19811(12) 0.0514(16) Uani 1 1 d . U . . . C2 C 0.6431(3) 0.4302(3) 0.30413(11) 0.0338(12) Uani 1 1 d . U . . . C18 C 0.9551(3) 0.2789(3) 0.11311(11) 0.0474(15) Uani 1 1 d . U . . . H18 H 0.9983 0.2883 0.1024 0.057 Uiso 1 1 calc R U . . . C3 C 0.6983(3) 0.3893(3) 0.29609(13) 0.0639(19) Uani 1 1 d . U . . . H3 H 0.7166 0.3583 0.3132 0.077 Uiso 1 1 calc R U . . . C4 C 0.7269(3) 0.3948(3) 0.26159(12) 0.0607(17) Uani 1 1 d . U . . . H4 H 0.7685 0.3710 0.2570 0.073 Uiso 1 1 calc R U . . . C14 C 0.8460(4) 0.3231(3) 0.13912(14) 0.0614(18) Uani 1 1 d . U . . . C6 C 0.6414(3) 0.4713(3) 0.24255(13) 0.072(2) Uani 1 1 d . U . . . H6 H 0.6199 0.4984 0.2246 0.086 Uiso 1 1 calc R U . . . C13 C 0.7318(4) 0.4982(3) 0.17532(12) 0.081(2) Uani 1 1 d . U . . . H13 H 0.7129 0.5392 0.1848 0.097 Uiso 1 1 calc R U . . . C19 C 0.9112(4) 0.3331(3) 0.12189(13) 0.068(2) Uani 1 1 d . U . . . H19 H 0.9251 0.3785 0.1162 0.081 Uiso 1 1 calc R U . . . C10 C 0.8066(4) 0.3827(3) 0.15200(13) 0.066(2) Uani 1 1 d . U . . . C15 C 0.8304(4) 0.2506(3) 0.14471(13) 0.0586(19) Uani 1 1 d . U . . . H15 H 0.7867 0.2401 0.1545 0.070 Uiso 1 1 calc R U . . . C12 C 0.7570(4) 0.4989(3) 0.14143(12) 0.0642(19) Uani 1 1 d . U . . . C11 C 0.7969(4) 0.4448(3) 0.12885(13) 0.068(2) Uani 1 1 d . U . . . H11 H 0.8177 0.4472 0.1059 0.082 Uiso 1 1 calc R U . . . C9 C 0.7696(3) 0.3783(3) 0.18521(11) 0.0522(16) Uani 1 1 d . U . . . H9 H 0.7699 0.3367 0.1985 0.063 Uiso 1 1 calc R U . . . O8 O 0.82504(19) 0.80824(17) 0.08803(7) 0.0381(9) Uani 1 1 d . U . . . O10 O 0.73326(16) 0.39602(19) 0.48133(7) 0.0362(9) Uani 1 1 d . U . . . O5 O 1.04342(18) 0.16619(18) 0.09822(7) 0.0376(9) Uani 1 1 d . U . . . O6 O 0.95968(19) 0.09059(18) 0.11672(7) 0.0352(9) Uani 1 1 d . U . . . O9 O 0.70560(17) 0.43820(18) 0.42781(8) 0.0376(8) Uani 1 1 d . U . . . O7 O 0.80180(18) 0.76159(17) 0.03197(7) 0.0385(9) Uani 1 1 d . U . . . C28 C 0.7481(3) 0.4289(3) 0.45410(12) 0.0359(13) Uani 1 1 d . U . . . C6G C 0.8505(3) 0.4807(4) 0.42107(15) 0.065(2) Uani 1 1 d . U . . . H6G H 0.8217 0.4928 0.4016 0.078 Uiso 1 1 calc R U . . . C1G C 0.8224(3) 0.4505(3) 0.44932(11) 0.0392(14) Uani 1 1 d . U . . . C5G C 0.9187(3) 0.4950(5) 0.41883(15) 0.085(3) Uani 1 1 d . U . . . H5G H 0.9379 0.5036 0.3959 0.102 Uiso 1 1 calc R U . . . C2G C 0.8634(3) 0.4393(6) 0.47696(17) 0.130(4) Uani 1 1 d . U . . . H2G H 0.8462 0.4149 0.4970 0.156 Uiso 1 1 calc R U . . . C4G C 0.9593(3) 0.4973(6) 0.44701(12) 0.089(2) Uani 1 1 d . U . . . C3G C 0.9365(3) 0.4642(5) 0.47741(13) 0.081(3) Uani 1 1 d . U . . . H3G H 0.9654 0.4575 0.4976 0.098 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Al1 0.0253(7) 0.0253(7) 0.0226(8) -0.0027(6) -0.0027(6) 0.0037(14) Al2 0.0296(9) 0.0333(9) 0.0245(6) 0.0017(6) -0.0020(6) 0.0018(11) Al3 0.0284(11) 0.0289(11) 0.0179(7) 0.000 0.000 0.0005(15) O2 0.0284(17) 0.0320(18) 0.0202(12) -0.0014(13) -0.0044(13) 0.010(2) O3 0.039(2) 0.048(2) 0.0308(15) 0.0027(16) 0.0071(15) 0.008(3) O1 0.0223(16) 0.0389(19) 0.0287(14) 0.0077(14) -0.0113(13) 0.002(2) O4 0.056(2) 0.063(3) 0.0246(14) 0.0013(16) 0.0094(16) 0.031(3) C1 0.036(3) 0.041(3) 0.024(2) 0.006(2) 0.009(2) 0.010(4) C26 0.130(7) 0.042(3) 0.036(3) 0.009(2) 0.000(3) 0.014(4) C23 0.112(6) 0.034(3) 0.043(3) 0.006(2) 0.012(3) -0.009(4) C20 0.043(4) 0.015(3) 0.024(2) -0.004(2) 0.005(2) 0.003(3) C25 0.103(5) 0.041(3) 0.036(2) 0.009(2) 0.007(3) 0.007(4) C22 0.110(6) 0.031(3) 0.048(3) 0.007(2) 0.022(3) -0.013(4) C24 0.065(4) 0.031(3) 0.030(2) 0.005(2) 0.004(3) 0.003(4) C27 0.040(3) 0.026(3) 0.035(2) 0.006(2) 0.003(2) 0.003(3) C17 0.056(3) 0.028(3) 0.030(2) 0.002(2) 0.015(2) 0.007(3) C7 0.074(4) 0.075(4) 0.044(3) 0.021(3) 0.022(3) 0.033(5) C21 0.064(4) 0.036(3) 0.051(3) 0.010(2) 0.022(3) 0.013(4) C5 0.071(4) 0.048(3) 0.035(2) 0.014(2) 0.021(3) 0.011(4) C16 0.060(4) 0.029(3) 0.069(3) 0.002(3) 0.031(3) 0.002(4) C8 0.071(4) 0.038(3) 0.045(2) 0.022(2) 0.022(3) 0.015(4) C2 0.030(3) 0.031(3) 0.040(2) 0.001(2) 0.009(2) -0.003(3) C18 0.067(4) 0.036(3) 0.040(2) -0.001(2) 0.015(3) 0.000(4) C3 0.068(4) 0.071(4) 0.053(3) 0.022(3) 0.023(3) 0.031(5) C4 0.074(4) 0.063(4) 0.044(3) 0.014(3) 0.026(3) 0.029(5) C14 0.086(5) 0.040(3) 0.058(3) 0.009(3) 0.044(3) 0.010(4) C6 0.090(4) 0.079(5) 0.046(3) 0.025(3) 0.034(3) 0.045(5) C13 0.145(7) 0.044(3) 0.054(3) 0.014(3) 0.061(4) 0.039(5) C19 0.094(5) 0.031(3) 0.077(4) 0.003(3) 0.046(4) 0.009(4) C10 0.099(5) 0.039(3) 0.061(3) 0.023(3) 0.051(3) 0.026(4) C15 0.079(5) 0.035(3) 0.062(3) 0.010(3) 0.037(3) 0.014(4) C12 0.100(5) 0.043(3) 0.050(3) 0.012(3) 0.033(3) 0.020(4) C11 0.103(5) 0.046(3) 0.055(3) 0.012(3) 0.045(4) 0.024(4) C9 0.077(4) 0.044(3) 0.036(2) 0.016(2) 0.023(3) 0.015(4) O8 0.055(2) 0.0294(19) 0.0305(14) -0.0018(15) 0.0063(16) -0.006(3) O10 0.0245(18) 0.053(2) 0.0313(14) 0.0053(16) 0.0053(14) 0.002(2) O5 0.044(2) 0.029(2) 0.0403(16) -0.0020(15) 0.0184(16) 0.003(3) O6 0.028(2) 0.029(2) 0.0484(17) -0.0068(16) 0.0068(16) 0.013(2) O9 0.0303(18) 0.037(2) 0.0452(16) 0.0189(17) -0.0017(16) -0.010(2) O7 0.055(2) 0.0362(19) 0.0240(13) 0.0082(14) -0.0003(15) -0.015(3) C28 0.024(3) 0.050(4) 0.034(2) 0.004(3) -0.001(2) 0.005(3) C6G 0.029(3) 0.100(6) 0.064(3) 0.017(4) -0.003(3) -0.002(4) C1G 0.030(3) 0.056(4) 0.032(2) -0.006(2) 0.002(2) 0.004(3) C5G 0.040(3) 0.148(8) 0.067(3) 0.012(4) -0.001(3) -0.015(5) C2G 0.049(4) 0.265(13) 0.075(4) 0.067(6) -0.017(3) -0.035(6) C4G 0.036(3) 0.190(7) 0.042(2) 0.012(4) -0.010(3) -0.017(5) C3G 0.026(3) 0.166(8) 0.052(3) 0.008(4) -0.012(3) -0.001(5) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0010 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0040 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Al Al 0.0310 0.0240 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 O1 Al1 O1 94.7(2) . 8_666 O1 Al1 O10 95.06(13) 8_666 . O1 Al1 O10 89.95(13) 8_666 8_666 O1 Al1 O10 89.95(13) . . O1 Al1 O10 95.06(13) . 8_666 O1 Al1 O7 91.42(13) 8_666 2_645 O1 Al1 O7 172.31(14) 8_666 6_645 O1 Al1 O7 91.43(13) . 6_645 O1 Al1 O7 172.31(14) . 2_645 O10 Al1 O10 172.6(2) . 8_666 O10 Al1 O7 84.92(14) 8_666 6_645 O10 Al1 O7 89.54(14) . 6_645 O10 Al1 O7 89.54(14) 8_666 2_645 O10 Al1 O7 84.92(14) . 2_645 O7 Al1 O7 82.8(2) 2_645 6_645 O2 Al2 O3 92.80(14) . . O2 Al2 O8 175.37(13) . 6_645 O2 Al2 O5 94.22(15) . 5_455 O2 Al2 O9 92.94(15) . . O1 Al2 O2 94.87(13) . . O1 Al2 O3 172.26(17) . . O1 Al2 O8 89.69(14) . 6_645 O1 Al2 O5 90.63(14) . 5_455 O1 Al2 O9 93.94(13) . . O8 Al2 O3 82.65(14) 6_645 . O8 Al2 O9 85.98(16) 6_645 . O5 Al2 O3 87.81(14) 5_455 . O5 Al2 O8 86.48(16) 5_455 6_645 O5 Al2 O9 171.16(16) 5_455 . O9 Al2 O3 86.65(14) . . O2 Al3 O2 98.20(17) 3_665 . O2 Al3 O4 90.44(12) . . O2 Al3 O4 90.44(12) 3_665 3_665 O2 Al3 O4 171.36(14) . 3_665 O2 Al3 O4 171.35(14) 3_665 . O2 Al3 O6 90.84(14) 3_665 5_455 O2 Al3 O6 91.56(14) . 5_455 O2 Al3 O6 91.56(14) 3_665 6_655 O2 Al3 O6 90.84(14) . 6_655 O4 Al3 O4 80.9(2) 3_665 . O6 Al3 O4 88.64(15) 5_455 3_665 O6 Al3 O4 88.65(15) 6_655 . O6 Al3 O4 88.57(15) 6_655 3_665 O6 Al3 O4 88.57(15) 5_455 . O6 Al3 O6 176.34(19) 5_455 6_655 Al2 O2 Al3 127.69(15) . . C1 O3 Al2 130.9(3) . . Al2 O1 Al1 129.21(18) . . C1 O4 Al3 136.3(3) . . O3 C1 C2 116.2(5) . . O4 C1 O3 125.1(4) . . O4 C1 C2 118.2(4) . . C25 C26 C21 123.5(4) . . C22 C23 C24 121.1(4) . . O5 C20 C17 118.0(5) . . O6 C20 C17 119.9(5) . . O6 C20 O5 121.8(5) . . C24 C25 C26 117.7(5) . . C21 C22 C23 123.8(5) . . C23 C24 C27 124.1(4) . . C25 C24 C23 118.5(5) . . C25 C24 C27 117.3(4) . . O8 C27 C24 116.4(3) . . O8 C27 O7 127.8(4) . . O7 C27 C24 115.8(4) . . C20 C17 C16 124.0(5) . . C20 C17 C18 121.4(5) . . C18 C17 C16 114.6(6) . . C6 C7 C2 122.9(6) . . C26 C21 C12 119.4(4) . . C22 C21 C26 115.1(5) . . C22 C21 C12 125.3(5) . . C4 C5 C8 120.4(5) . . C6 C5 C8 123.7(5) . . C6 C5 C4 115.6(5) . . C15 C16 C17 122.8(5) . . C13 C8 C5 122.3(5) . . C9 C8 C5 120.3(4) . . C9 C8 C13 117.4(4) . . C7 C2 C1 118.7(5) . . C3 C2 C1 123.7(5) . . C3 C2 C7 117.5(4) . . C19 C18 C17 120.5(5) . . C2 C3 C4 117.8(5) . . C5 C4 C3 124.5(6) . . C19 C14 C10 120.0(6) . . C19 C14 C15 112.3(6) . . C15 C14 C10 127.5(6) . . C7 C6 C5 121.4(5) . . C12 C13 C8 122.5(6) . . C18 C19 C14 122.9(5) . . C14 C10 C11 120.9(4) . . C9 C10 C14 119.7(5) . . C9 C10 C11 118.9(6) . . C16 C15 C14 126.7(7) . . C13 C12 C21 120.7(6) . . C13 C12 C11 120.6(5) . . C11 C12 C21 116.1(4) . . C12 C11 C10 119.2(4) . . C8 C9 C10 120.1(5) . . C27 O8 Al2 135.3(3) . 6_655 C28 O10 Al1 141.3(3) . . C20 O5 Al2 133.4(3) . 5 C20 O6 Al3 136.9(4) . 5 C28 O9 Al2 129.3(3) . . C27 O7 Al1 126.3(3) . 4_564 O10 C28 O9 123.1(5) . . O10 C28 C1G 117.6(4) . . O9 C28 C1G 118.7(4) . . C1G C6G C5G 122.8(6) . . C6G C1G C28 127.5(5) . . C2G C1G C28 116.0(5) . . C2G C1G C6G 116.5(5) . . C4G C5G C6G 123.0(6) . . C1G C2G C3G 121.8(6) . . C5G C4G C4G 127.0(3) . 3_765 C5G C4G C3G 116.5(7) . . C3G C4G C4G 110.7(6) . 3_765 C4G C3G C2G 116.6(5) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Al1 O1 1.853(3) . Al1 O1 1.853(3) 8_666 Al1 O10 1.878(3) 8_666 Al1 O10 1.878(3) . Al1 O7 1.949(3) 2_645 Al1 O7 1.949(3) 6_645 Al2 O2 1.833(3) . Al2 O3 1.937(3) . Al2 O1 1.824(3) . Al2 O8 1.896(4) 6_645 Al2 O5 1.877(4) 5_455 Al2 O9 1.937(4) . Al3 O2 1.854(3) 3_665 Al3 O2 1.854(3) . Al3 O4 1.919(3) . Al3 O4 1.919(3) 3_665 Al3 O6 1.893(3) 5_455 Al3 O6 1.893(3) 6_655 O3 C1 1.263(5) . O4 C1 1.249(6) . C1 C2 1.470(6) . C26 C25 1.398(7) . C26 C21 1.405(7) . C23 C22 1.356(7) . C23 C24 1.382(7) . C20 C17 1.415(7) . C20 O5 1.338(6) . C20 O6 1.244(6) . C25 C24 1.361(6) . C22 C21 1.318(6) . C24 C27 1.505(7) . C27 O8 1.242(5) . C27 O7 1.297(5) . C17 C16 1.431(8) . C17 C18 1.421(7) . C7 C2 1.394(7) . C7 C6 1.322(6) . C21 C12 1.462(7) . C5 C8 1.462(6) . C5 C4 1.364(7) . C5 C6 1.352(8) . C16 C15 1.222(7) . C8 C13 1.458(7) . C8 C9 1.382(7) . C2 C3 1.344(7) . C18 C19 1.369(7) . C3 C4 1.380(6) . C14 C19 1.409(9) . C14 C10 1.443(8) . C14 C15 1.430(8) . C13 C12 1.330(6) . C10 C11 1.469(7) . C10 C9 1.408(7) . C12 C11 1.363(8) . O8 Al2 1.896(4) 6_655 O10 C28 1.211(5) . O5 Al2 1.877(4) 5 O6 Al3 1.893(3) 5 O9 C28 1.270(5) . O7 Al1 1.949(3) 4_564 C28 C1G 1.489(7) . C6G C1G 1.298(7) . C6G C5G 1.332(8) . C1G C2G 1.296(7) . C5G C4G 1.291(7) . C2G C3G 1.473(9) . C4G C4G 1.555(11) 3_765 C4G C3G 1.351(8) . loop_ _smtbx_masks_void_nr _smtbx_masks_void_average_x _smtbx_masks_void_average_y _smtbx_masks_void_average_z _smtbx_masks_void_volume _smtbx_masks_void_count_electrons 1 -0.319 -0.327 -0.382 8942.2 11046.6