#------------------------------------------------------------------------------ #$Date: 2024-12-06 19:36:34 +0200 (Fri, 06 Dec 2024) $ #$Revision: 296468 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/93/7249334.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_7249334 loop_ _publ_author_name 'Abbas, Muhammad' 'Degani, Murtaza' 'Sheybani, Simin' 'Shah, Tejas' 'Joy, Monu' 'Balkus, Kenneth J.' _publ_section_title ; Synthesis and characterization of holmium based metal--organic frameworks ; _journal_issue 39 _journal_name_full CrystEngComm _journal_page_first 5567 _journal_page_last 5573 _journal_paper_doi 10.1039/D4CE00592A _journal_volume 26 _journal_year 2024 _chemical_formula_moiety 'C36 H37 Ho2 N7 O16, C3 H7 N O' _chemical_formula_sum 'C39 H44 Ho2 N8 O17' _chemical_formula_weight 1226.68 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2019/1 _audit_update_record ; 2024-05-17 deposited with the CCDC. 2024-09-09 downloaded from the CCDC. ; _cell_angle_alpha 73.0480(10) _cell_angle_beta 84.5140(10) _cell_angle_gamma 70.0620(10) _cell_formula_units_Z 2 _cell_length_a 9.8693(2) _cell_length_b 13.6840(4) _cell_length_c 19.1526(5) _cell_measurement_reflns_used 9388 _cell_measurement_temperature 200(2) _cell_measurement_theta_max 26.411 _cell_measurement_theta_min 2.229 _cell_volume 2325.88(10) _computing_cell_refinement 'SAINT v8.40B (Bruker-AXS, 2021)' _computing_data_collection 'Bruker APEX4 v2021.10-0 (Bruker AXS, 2021)' _computing_data_reduction 'SAINT v8.40B (Bruker-AXS, 2021)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009); CIFTAB (Sheldrick, 2018)' _computing_structure_refinement 'SHELXL-2019/1 (Sheldrick, 2019)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 200(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'Bruker D8-QUEST diffractometer' _diffrn_measurement_method '\w and \f scan' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0390 _diffrn_reflns_av_unetI/netI 0.0206 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 65729 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 25.342 _diffrn_reflns_theta_min 2.323 _diffrn_source 'I\mS microfocus sealed tube' _exptl_absorpt_coefficient_mu 3.455 _exptl_absorpt_correction_T_max 0.0628 _exptl_absorpt_correction_T_min 0.0379 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10 ; _exptl_crystal_colour gold _exptl_crystal_density_diffrn 1.752 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 1208 _exptl_crystal_size_max 0.090 _exptl_crystal_size_mid 0.080 _exptl_crystal_size_min 0.050 _refine_diff_density_max 1.907 _refine_diff_density_min -1.156 _refine_diff_density_rms 0.098 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.222 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 749 _refine_ls_number_reflns 8489 _refine_ls_number_restraints 1563 _refine_ls_restrained_S_all 1.174 _refine_ls_R_factor_all 0.0326 _refine_ls_R_factor_gt 0.0251 _refine_ls_shift/su_max 0.005 _refine_ls_shift/su_mean 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+6.6685P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0498 _refine_ls_wR_factor_ref 0.0559 _reflns_Friedel_coverage 0.000 _reflns_number_gt 7484 _reflns_number_total 8489 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4ce00592a2.cif _cod_data_source_block shelx _cod_depositor_comments 'Adding full bibliography for 7249334--7249335.cif.' _cod_database_code 7249334 _shelx_shelxl_version_number 2019/1 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.746 _shelx_estimated_absorpt_t_max 0.846 _shelx_res_file ; TITL KB_MA_012_a.res in P-1 shelx.res created by SHELXL-2019/1 at 12:17:25 on 12-Dec-2023 CELL 0.71073 9.8693 13.684 19.1526 73.048 84.514 70.062 ZERR 2 0.0002 0.0004 0.0005 0.001 0.001 0.001 LATT 1 SFAC C H Ho N O UNIT 78 88 4 16 34 EQIV $1 1-X,2-Y,-Z EQIV $2 1+X,+Y,+Z EQIV $3 1-X,1-Y,-Z EQIV $4 1+X,-1+Y,+Z EQIV $5 +X,-1+Y,+Z SIMU 0.01 0.02 2 RIGU 0.005 0.005 DELU DFIX 2.5 0.01 C36A C35A DFIX 2.35 0.01 C36A C34A DFIX 2.35 0.01 C34A C35A DFIX 1.4 0.01 C36A N7A DFIX 1.4 0.01 N7A C35A DFIX 2.5 C33A C32A DFIX 1.3 0.01 C31A N6A DFIX 1.2 0.01 O15A C31A DFIX 1.45 0.01 C33A N6A DFIX 1.45 0.01 C32A N6A SADI Ho2 O16A Ho2 O16B SADI O16A C34A O16B C34B SADI N7A C34A N7B C34B SADI N7A C35A N7B C36B SADI N7A C36A N7B C35B SADI 0.04 Ho2 C34A Ho2 C34B SADI 0.04 O16A N7A O16B N7B SADI 0.04 C34A C35A C34B C36B SADI 0.04 C34A C36A C34B C35B SADI 0.04 C35A C36A C36B C35B SADI Ho2 O15A Ho2 O15B SADI O15A C31A O15B C31B SADI N6A C31A N6B C31B SADI N6A C32A N6B C32B SADI N6A C33A N6B C33B SADI 0.04 Ho2 C31A Ho2 C31B SADI 0.04 O15A N6A O15B N6B SADI 0.04 C31A C32A C31B C32B SADI 0.04 C31A C33A C31B C33B SADI 0.04 C32A C33A C32B C33B SADI O17A C37A O17B C37B SADI N8A C37A N8B C37B SADI N8A C38A N8B C38B SADI N8A C39A N8B C39B SADI 0.04 O17A N8A O17B N8B SADI 0.04 C37A C38A C37B C38B SADI 0.04 C37A C39A C37B C39B SADI 0.04 C38A C39A C38B C39B FLAT N7B C34B C35B C36B FLAT O17A N8A C37A C38A C39A FLAT O17B N8B C37B C38B C39B L.S. 10 PLAN 1 SIZE 0.05 0.08 0.09 TEMP -73.15 HTAB C25 O12 HTAB C28 O2_$2 HTAB C35B O6_$3 HTAB C36A O1_$4 HTAB C36A O4_$5 HTAB C36B O1_$4 HTAB C37B O8 HTAB C39A O5_$1 CONF HTAB LIST 4 MORE -1 BOND $H FMAP 2 ACTA OMIT -1 -1 1 OMIT -1 0 1 OMIT 0 0 2 OMIT 1 0 0 WGHT 0.000000 6.668500 FVAR 0.10851 0.49827 0.39152 0.38298 HO1 3 0.612396 0.931737 0.211711 11.00000 0.01768 0.01909 = 0.01739 -0.00510 -0.00176 -0.00666 HO2 3 0.824421 0.499576 0.305003 11.00000 0.02626 0.02401 = 0.02147 -0.00633 -0.00499 -0.00221 O1 5 -0.288563 0.989032 0.295896 11.00000 0.01967 0.03352 = 0.02593 -0.01207 -0.00066 -0.01076 O2 5 -0.136317 0.904205 0.223779 11.00000 0.02128 0.04091 = 0.03258 -0.02067 -0.00025 -0.00966 O3 5 0.377221 0.910323 0.216449 11.00000 0.02310 0.05631 = 0.03518 -0.02698 0.00526 -0.01704 O4 5 0.412093 1.016861 0.274754 11.00000 0.02185 0.03192 = 0.04380 -0.01869 0.00617 -0.01182 O5 5 0.456976 0.979269 -0.086887 11.00000 0.09327 0.02447 = 0.02533 0.00063 -0.02208 -0.02471 O6 5 0.389261 0.889679 -0.144726 11.00000 0.07445 0.03609 = 0.02823 0.00603 -0.02516 -0.03185 O7 5 0.672704 0.629283 0.216969 11.00000 0.04706 0.02367 = 0.02471 -0.00267 -0.01198 -0.00994 O8 5 0.688629 0.792411 0.159009 11.00000 0.02997 0.02312 = 0.02410 -0.00945 -0.00175 -0.00931 O9 5 0.963689 0.658505 0.657733 11.00000 0.05249 0.05232 = 0.02857 -0.01657 -0.01483 0.01930 O10 5 1.094071 0.592242 0.572698 11.00000 0.03390 0.03788 = 0.02540 -0.00399 -0.00439 0.00797 O11 5 0.801688 0.634949 0.357889 11.00000 0.06860 0.03521 = 0.04342 -0.02451 -0.02490 0.01373 O12 5 0.631241 0.791707 0.313512 11.00000 0.03335 0.02444 = 0.01971 -0.00454 -0.00356 -0.00839 O13 5 0.596034 0.522229 0.363263 11.00000 0.03702 0.06914 = 0.05047 0.00939 0.01034 -0.00067 O14 5 1.018460 0.559562 0.263241 11.00000 0.05335 0.05892 = 0.10015 -0.03109 0.02487 -0.02720 PART 1 O15A 5 0.887067 0.442542 0.196948 31.00000 0.05333 0.06067 = 0.04265 -0.03090 -0.00525 -0.00084 PART 2 O15B 5 0.917870 0.459461 0.193156 -31.00000 0.05938 0.06433 = 0.03765 -0.02567 -0.00560 0.00115 PART 1 O16A 5 0.730218 0.371719 0.293530 21.00000 0.06944 0.04797 = 0.08384 -0.00801 -0.02184 -0.03004 PART 2 O16B 5 0.760931 0.348586 0.312391 -21.00000 0.06795 0.04866 = 0.08205 -0.01434 -0.02106 -0.02512 PART 1 O17A 5 1.084789 0.693932 0.027441 41.00000 0.09843 0.12670 = 0.11036 -0.00336 0.01111 -0.02229 PART 2 O17B 5 1.020841 0.699192 0.043198 -41.00000 0.10578 0.12106 = 0.08942 0.00228 0.02114 -0.02449 PART 0 N1 4 0.059854 0.991693 0.485048 11.00000 0.02837 0.05664 = 0.02944 -0.02316 0.00509 -0.02074 N2 4 0.515212 0.502595 0.030369 11.00000 0.04349 0.02168 = 0.02595 -0.00415 -0.00753 -0.01482 N3 4 0.555749 0.977327 0.519185 11.00000 0.02826 0.02532 = 0.02592 -0.00883 -0.00524 -0.00204 N4 4 0.365129 0.587133 0.398191 11.00000 0.03576 0.04288 = 0.05489 -0.00716 0.01024 -0.01190 N5 4 1.175691 0.642200 0.207834 11.00000 0.04726 0.05395 = 0.07598 -0.03428 0.01874 -0.02301 PART 1 N6A 4 1.076737 0.371473 0.133513 31.00000 0.07071 0.08403 = 0.06911 -0.04058 0.01455 -0.00077 PART 2 N6B 4 1.107983 0.353822 0.142220 -31.00000 0.06054 0.07796 = 0.06598 -0.03826 0.00890 -0.00935 PART 1 N7A 4 0.592894 0.261536 0.315885 21.00000 0.07053 0.04608 = 0.08500 -0.02259 0.00877 -0.03294 PART 2 N7B 4 0.608090 0.267655 0.303799 -21.00000 0.07053 0.04449 = 0.08218 -0.02490 0.01360 -0.03454 PART 1 N8A 4 0.951797 0.871577 -0.027280 41.00000 0.05687 0.11525 = 0.05414 -0.00770 0.01175 -0.03676 PART 2 N8B 4 0.946461 0.867623 -0.032371 -41.00000 0.05483 0.11473 = 0.05131 -0.00621 0.00617 -0.03580 PART 0 C1 1 -0.162173 0.949807 0.274895 11.00000 0.02269 0.02595 = 0.02079 -0.00426 -0.00198 -0.01054 C2 1 -0.039438 0.958466 0.310674 11.00000 0.02142 0.03137 = 0.02659 -0.00972 -0.00164 -0.01058 C3 1 -0.055375 0.972973 0.380507 11.00000 0.02376 0.04117 = 0.02793 -0.01467 0.00302 -0.01393 AFIX 43 H3 2 -0.143860 0.977688 0.405933 11.00000 -1.20000 AFIX 0 C4 1 0.060994 0.980463 0.412485 11.00000 0.02688 0.03790 = 0.02740 -0.01387 0.00086 -0.01321 C5 1 0.187906 0.979003 0.374145 11.00000 0.02483 0.03804 = 0.02674 -0.01420 -0.00048 -0.01434 AFIX 43 H5 2 0.265017 0.986839 0.395693 11.00000 -1.20000 AFIX 0 C6 1 0.202205 0.966056 0.304113 11.00000 0.02230 0.03163 = 0.02576 -0.00828 -0.00113 -0.01189 C7 1 0.089433 0.953546 0.273054 11.00000 0.02301 0.03026 = 0.02268 -0.00980 -0.00119 -0.00967 AFIX 43 H7 2 0.100483 0.941625 0.226083 11.00000 -1.20000 AFIX 0 C8 1 0.338106 0.964649 0.262254 11.00000 0.02075 0.03044 = 0.02605 -0.00835 -0.00102 -0.00859 C9 1 0.439269 0.893796 -0.088701 11.00000 0.02949 0.02429 = 0.02137 -0.00469 -0.00186 -0.01014 C10 1 0.483271 0.795601 -0.024515 11.00000 0.02639 0.02248 = 0.02118 -0.00609 -0.00177 -0.00804 C11 1 0.470471 0.699871 -0.028479 11.00000 0.03593 0.02389 = 0.02217 -0.00529 -0.00806 -0.01131 AFIX 43 H11 2 0.427979 0.697597 -0.070190 11.00000 -1.20000 AFIX 0 C12 1 0.520270 0.606910 0.029061 11.00000 0.03396 0.02181 = 0.02388 -0.00625 -0.00297 -0.01276 C13 1 0.579354 0.610069 0.091067 11.00000 0.03511 0.02106 = 0.02149 -0.00452 -0.00406 -0.01061 AFIX 43 H13 2 0.612090 0.546479 0.130443 11.00000 -1.20000 AFIX 0 C14 1 0.590253 0.707477 0.095062 11.00000 0.02566 0.02178 = 0.02178 -0.00869 -0.00085 -0.00803 C15 1 0.541866 0.800372 0.037579 11.00000 0.02612 0.01747 = 0.02478 -0.00691 -0.00271 -0.00674 AFIX 43 H15 2 0.548510 0.866763 0.040399 11.00000 -1.20000 AFIX 0 C16 1 0.655328 0.709607 0.162306 11.00000 0.02464 0.01996 = 0.02382 -0.00763 -0.00269 -0.00278 C17 1 0.981552 0.655407 0.592661 11.00000 0.03289 0.02624 = 0.02522 -0.00600 -0.00628 -0.00098 C18 1 0.864142 0.726164 0.538105 11.00000 0.02672 0.02556 = 0.02593 -0.00657 -0.00356 -0.00435 C19 1 0.852092 0.696499 0.476106 11.00000 0.02779 0.02036 = 0.02539 -0.00505 -0.00124 -0.00323 AFIX 43 H19 2 0.920831 0.633311 0.467076 11.00000 -1.20000 AFIX 0 C20 1 0.738583 0.759857 0.427055 11.00000 0.02533 0.02104 = 0.02101 -0.00431 -0.00004 -0.00678 C21 1 0.639235 0.852875 0.439455 11.00000 0.02303 0.02159 = 0.02182 -0.00438 -0.00164 -0.00394 AFIX 43 H21 2 0.562892 0.896386 0.405718 11.00000 -1.20000 AFIX 0 C22 1 0.651962 0.882270 0.501779 11.00000 0.02451 0.02275 = 0.02340 -0.00731 -0.00084 -0.00294 C23 1 0.764134 0.818691 0.551218 11.00000 0.02918 0.02693 = 0.02528 -0.00935 -0.00293 -0.00551 AFIX 43 H23 2 0.772121 0.838641 0.593795 11.00000 -1.20000 AFIX 0 C24 1 0.723450 0.726631 0.361038 11.00000 0.03286 0.02383 = 0.02456 -0.00926 -0.00066 -0.00605 C25 1 0.481700 0.597507 0.361788 11.00000 0.03494 0.04802 = 0.04185 -0.00578 0.00150 -0.01299 AFIX 43 H25 2 0.477863 0.667567 0.332355 11.00000 -1.20000 AFIX 0 C26 1 0.232260 0.677462 0.392330 11.00000 0.04656 0.06392 = 0.09072 -0.01021 0.01873 -0.00384 AFIX 137 H26A 2 0.247923 0.743697 0.361472 11.00000 -1.50000 H26B 2 0.201901 0.686087 0.441032 11.00000 -1.50000 H26C 2 0.157140 0.663662 0.370524 11.00000 -1.50000 AFIX 0 C27 1 0.359815 0.482718 0.443479 11.00000 0.07320 0.05572 = 0.08106 -0.00175 0.02972 -0.02057 AFIX 137 H27A 2 0.302539 0.456517 0.418768 11.00000 -1.50000 H27B 2 0.315453 0.490414 0.490445 11.00000 -1.50000 H27C 2 0.457874 0.430882 0.451733 11.00000 -1.50000 AFIX 0 C28 1 1.046426 0.642467 0.230660 11.00000 0.04244 0.05673 = 0.07544 -0.03697 0.02478 -0.02339 AFIX 43 H28 2 0.970373 0.709797 0.221708 11.00000 -1.20000 AFIX 0 C29 1 1.204627 0.740729 0.166372 11.00000 0.07352 0.06631 = 0.11062 -0.03477 0.03493 -0.03880 AFIX 137 H29A 2 1.237015 0.735341 0.117228 11.00000 -1.50000 H29B 2 1.279909 0.750104 0.191096 11.00000 -1.50000 H29C 2 1.116411 0.802982 0.162918 11.00000 -1.50000 AFIX 0 C30 1 1.295184 0.541525 0.216458 11.00000 0.04839 0.07163 = 0.11396 -0.02515 0.01693 -0.01209 AFIX 137 H30A 2 1.268116 0.482437 0.250738 11.00000 -1.50000 H30B 2 1.379497 0.548134 0.235401 11.00000 -1.50000 H30C 2 1.318507 0.526122 0.169050 11.00000 -1.50000 AFIX 0 PART 1 C31A 1 0.979405 0.452744 0.151296 31.00000 0.06144 0.06867 = 0.04957 -0.03476 0.00260 -0.00408 AFIX 43 H31A 2 0.980836 0.523702 0.127246 31.00000 -1.20000 AFIX 0 PART 2 C31B 1 1.009285 0.371735 0.190296 -31.00000 0.05787 0.06914 = 0.05136 -0.03339 -0.00179 -0.00517 AFIX 43 H31B 2 1.005719 0.310143 0.228492 -31.00000 -1.20000 AFIX 0 PART 1 C32A 1 1.194140 0.385206 0.083466 31.00000 0.08511 0.12144 = 0.09624 -0.04437 0.03125 -0.00286 AFIX 137 H32A 2 1.154220 0.436667 0.036823 31.00000 -1.50000 H32B 2 1.251863 0.315329 0.075408 31.00000 -1.50000 H32C 2 1.255213 0.412848 0.104544 31.00000 -1.50000 AFIX 0 PART 2 C32B 1 1.115776 0.442148 0.077248 -31.00000 0.11658 0.09432 = 0.09614 -0.01787 0.02042 -0.00530 AFIX 137 H32D 2 1.020468 0.497633 0.067291 -31.00000 -1.50000 H32E 2 1.147056 0.413158 0.035084 -31.00000 -1.50000 H32F 2 1.184973 0.474234 0.086276 -31.00000 -1.50000 AFIX 0 PART 1 C33A 1 1.101285 0.264508 0.185104 31.00000 0.10624 0.08840 = 0.09507 -0.03249 0.01311 0.00794 AFIX 137 H33A 2 1.175287 0.251199 0.220585 31.00000 -1.50000 H33B 2 1.133639 0.209247 0.158572 31.00000 -1.50000 H33C 2 1.011379 0.261388 0.210732 31.00000 -1.50000 AFIX 0 PART 2 C33B 1 1.214367 0.249432 0.144413 -31.00000 0.07672 0.09447 = 0.08887 -0.04793 0.01802 0.01049 AFIX 137 H33D 2 1.204751 0.196502 0.190088 -31.00000 -1.50000 H33E 2 1.311152 0.255157 0.141689 -31.00000 -1.50000 H33F 2 1.199223 0.225962 0.102946 -31.00000 -1.50000 AFIX 0 PART 1 C34A 1 0.647745 0.335314 0.282384 21.00000 0.06573 0.05023 = 0.08259 -0.01364 -0.00615 -0.02869 AFIX 43 H34A 2 0.609002 0.369905 0.234477 21.00000 -1.20000 AFIX 0 PART 2 C34B 1 0.682305 0.305711 0.333821 -21.00000 0.07534 0.04818 = 0.07535 -0.02057 0.00080 -0.02602 AFIX 43 H34B 2 0.666363 0.294778 0.384815 -21.00000 -1.20000 AFIX 0 PART 1 C35A 1 0.620726 0.209096 0.392274 21.00000 0.08400 0.08440 = 0.09000 0.00355 0.00506 -0.02416 AFIX 137 H35A 2 0.716842 0.205515 0.404437 21.00000 -1.50000 H35B 2 0.616109 0.135685 0.403632 21.00000 -1.50000 H35C 2 0.548225 0.250289 0.420898 21.00000 -1.50000 AFIX 0 PART 2 C35B 1 0.621059 0.276659 0.226678 -21.00000 0.08892 0.07095 = 0.08469 -0.03194 0.00069 -0.03229 AFIX 137 H35D 2 0.535544 0.332923 0.201146 -21.00000 -1.50000 H35E 2 0.629246 0.207314 0.218688 -21.00000 -1.50000 H35F 2 0.707195 0.295854 0.207818 -21.00000 -1.50000 AFIX 0 PART 1 C36A 1 0.486369 0.241754 0.280726 21.00000 0.06649 0.06722 = 0.10874 -0.04159 0.00864 -0.03140 AFIX 137 H36A 2 0.486586 0.276029 0.228103 21.00000 -1.50000 H36B 2 0.390989 0.272112 0.300590 21.00000 -1.50000 H36C 2 0.508933 0.163638 0.289524 21.00000 -1.50000 AFIX 0 PART 2 C36B 1 0.513105 0.207963 0.341356 -21.00000 0.09339 0.06294 = 0.13018 -0.02885 0.04161 -0.04459 AFIX 137 H36D 2 0.545991 0.136190 0.332967 -21.00000 -1.50000 H36E 2 0.414645 0.247321 0.322596 -21.00000 -1.50000 H36F 2 0.514657 0.200144 0.393818 -21.00000 -1.50000 AFIX 0 PART 1 C37A 1 0.973410 0.775252 0.019240 41.00000 0.07079 0.11575 = 0.06552 -0.00615 0.01312 -0.03849 AFIX 43 H37A 2 0.894955 0.766429 0.050338 41.00000 -1.20000 AFIX 0 PART 2 C37B 1 0.929007 0.793256 0.026336 -41.00000 0.06935 0.11300 = 0.06393 -0.00852 0.01004 -0.03911 AFIX 43 H37B 2 0.846665 0.810581 0.056197 -41.00000 -1.20000 AFIX 0 PART 1 C38A 1 1.067513 0.895423 -0.075761 41.00000 0.05311 0.11446 = 0.06569 -0.00884 0.01684 -0.03365 AFIX 137 H38A 2 1.160729 0.843407 -0.055872 41.00000 -1.50000 H38B 2 1.065692 0.968843 -0.079550 41.00000 -1.50000 H38C 2 1.053499 0.889964 -0.124282 41.00000 -1.50000 AFIX 0 PART 2 C38B 1 1.067270 0.839942 -0.082338 -41.00000 0.06412 0.13470 = 0.07545 -0.00307 0.01823 -0.02312 AFIX 137 H38D 2 1.128091 0.764605 -0.062544 -41.00000 -1.50000 H38E 2 1.124590 0.887703 -0.087558 -41.00000 -1.50000 H38F 2 1.029572 0.849087 -0.130184 -41.00000 -1.50000 AFIX 0 PART 1 C39A 1 0.816472 0.959928 -0.031593 41.00000 0.06131 0.11996 = 0.06984 -0.00982 0.02039 -0.03357 AFIX 137 H39A 2 0.768797 0.976337 -0.078212 41.00000 -1.50000 H39B 2 0.835543 1.024125 -0.028150 41.00000 -1.50000 H39C 2 0.753861 0.938875 0.008677 41.00000 -1.50000 AFIX 0 PART 2 C39B 1 0.838337 0.974627 -0.053159 -41.00000 0.07292 0.11179 = 0.06352 -0.00635 0.01611 -0.03506 AFIX 137 H39D 2 0.794615 0.985639 -0.099878 -41.00000 -1.50000 H39E 2 0.883941 1.029653 -0.058030 -41.00000 -1.50000 H39F 2 0.763627 0.980662 -0.015571 -41.00000 -1.50000 AFIX 0 HKLF 4 REM KB_MA_012_a.res in P-1 REM wR2 = 0.0559, GooF = S = 1.222, Restrained GooF = 1.174 for all data REM R1 = 0.0251 for 7484 Fo > 4sig(Fo) and 0.0326 for all 8489 data REM 749 parameters refined using 1563 restraints END WGHT 0.0000 6.7630 REM Instructions for potential hydrogen bonds HTAB C25 O12 HTAB C28 O2_$2 HTAB C35B O6_$3 HTAB C36A O1_$4 HTAB C36A O4_$5 HTAB C36B O1_$4 HTAB C37B O8 HTAB C39A O5_$1 REM Highest difference peak 1.907, deepest hole -1.156, 1-sigma level 0.098 Q1 1 1.4026 0.3632 0.1194 11.00000 0.05 1.91 ; _shelx_res_checksum 79477 _shelx_hkl_file ; 1 0 0 17.61 0.64 -2 0 0 8.92 0.67 -2 0 0 7.66 0.72 -2 0 0 8.71 0.75 -2 0 0 9.24 0.56 -2 0 0 9.25 0.78 -2 0 0 8.26 0.55 -2 0 0 8.26 0.58 2 0 0 7.88 0.71 2 0 0 7.94 0.56 2 0 0 7.85 0.65 2 0 0 8.52 0.69 2 0 0 8.65 0.56 2 0 0 9.02 0.57 -3 0 0 1.74 0.31 -3 0 0 2.91 0.35 -3 0 0 2.35 0.52 -3 0 0 2.54 0.55 -3 0 0 1.65 0.42 -3 0 0 2.51 0.39 3 0 0 2.33 0.38 3 0 0 2.19 0.45 3 0 0 1.89 0.42 3 0 0 2.14 0.49 3 0 0 2.34 0.53 3 0 0 2.13 0.35 3 0 0 2.96 0.49 -4 0 0 263.16 7.92 -4 0 0 270.30 7.84 -4 0 0 267.69 6.87 -4 0 0 272.65 7.10 -4 0 0 275.57 7.50 -4 0 0 262.94 6.91 -4 0 0 263.40 7.83 4 0 0 243.35 7.49 4 0 0 267.04 7.47 4 0 0 252.33 7.61 4 0 0 261.66 7.56 4 0 0 261.50 7.01 4 0 0 265.12 6.92 4 0 0 262.92 6.92 -5 0 0 317.68 8.02 -5 0 0 315.18 9.19 -5 0 0 303.10 8.19 -5 0 0 314.72 9.35 -5 0 0 312.06 8.02 -5 0 0 299.89 8.65 5 0 0 308.27 7.97 5 0 0 301.11 8.15 5 0 0 304.76 8.04 5 0 0 305.19 8.81 5 0 0 290.36 8.82 5 0 0 281.00 8.58 5 0 0 298.00 8.87 -6 0 0 18.52 1.22 -6 0 0 16.74 1.28 -6 0 0 18.37 1.82 -6 0 0 15.32 1.13 6 0 0 16.56 1.58 6 0 0 14.61 1.43 6 0 0 15.07 1.51 6 0 0 17.62 1.24 6 0 0 15.96 1.47 6 0 0 15.42 1.11 6 0 0 16.33 1.27 -7 0 0 6.91 1.37 -7 0 0 6.07 1.48 -7 0 0 6.42 0.73 -7 0 0 7.23 0.91 -7 0 0 6.51 1.21 7 0 0 8.05 1.42 7 0 0 6.83 1.07 7 0 0 7.40 1.17 7 0 0 6.96 1.20 7 0 0 7.44 0.91 -8 0 0 -0.61 0.41 -8 0 0 0.16 0.25 -8 0 0 -0.27 0.29 8 0 0 -0.25 0.21 8 0 0 0.29 0.28 8 0 0 -0.22 0.31 8 0 0 -0.32 0.27 8 0 0 -0.14 0.24 -9 0 0 158.24 6.90 -9 0 0 147.94 5.07 -9 0 0 151.65 8.23 -9 0 0 143.11 6.48 9 0 0 146.80 6.01 9 0 0 147.71 5.25 9 0 0 142.02 6.16 9 0 0 152.61 5.86 9 0 0 139.94 5.64 -10 0 0 8.26 1.92 -10 0 0 7.54 1.62 -10 0 0 9.35 1.01 -10 0 0 9.49 1.64 10 0 0 10.14 1.18 10 0 0 7.90 1.30 10 0 0 11.14 1.53 10 0 0 9.25 1.74 10 0 0 10.91 1.41 -11 0 0 5.17 0.84 -11 0 0 5.54 1.29 -11 0 0 5.45 1.78 -11 0 0 9.49 1.62 11 0 0 6.40 1.36 11 0 0 6.37 1.07 11 0 0 7.96 1.52 11 0 0 8.40 1.17 10 -1 0 0.50 0.56 10 -1 0 0.59 0.63 10 -1 0 1.26 0.65 10 -1 0 0.53 0.31 10 -1 0 0.40 0.41 -10 1 0 -0.13 0.49 -10 1 0 0.79 0.84 -10 1 0 1.50 0.74 -10 1 0 1.00 0.94 9 -1 0 0.14 0.40 9 -1 0 -0.07 0.46 9 -1 0 0.24 0.30 9 -1 0 -0.05 0.34 9 -1 0 -0.09 0.36 -9 1 0 0.33 0.39 -9 1 0 -0.66 0.46 -9 1 0 0.51 0.41 8 -1 0 108.91 4.83 8 -1 0 98.87 4.71 8 -1 0 102.51 4.84 8 -1 0 111.30 5.10 8 -1 0 110.36 4.31 -8 1 0 115.44 5.76 -8 1 0 109.81 5.53 -8 1 0 109.60 4.43 -8 1 0 117.00 6.89 7 -1 0 21.35 1.94 7 -1 0 24.61 1.98 7 -1 0 25.50 1.51 7 -1 0 24.35 2.12 7 -1 0 25.13 1.73 7 -1 0 23.32 2.06 -7 1 0 26.35 2.45 -7 1 0 23.60 1.78 -7 1 0 24.88 2.99 -7 1 0 22.21 2.26 6 -1 0 97.53 4.14 6 -1 0 101.94 3.85 6 -1 0 100.33 4.40 6 -1 0 96.64 3.42 6 -1 0 96.84 4.39 6 -1 0 105.61 4.49 -6 1 0 104.81 5.02 -6 1 0 101.40 4.83 -6 1 0 98.42 3.99 -6 1 0 106.79 5.85 5 -1 0 0.25 0.33 5 -1 0 0.36 0.36 5 -1 0 0.39 0.30 5 -1 0 0.31 0.15 5 -1 0 0.35 0.24 5 -1 0 0.70 0.25 5 -1 0 0.50 0.34 -5 1 0 0.26 0.27 -5 1 0 0.30 0.26 -5 1 0 0.11 0.30 -5 1 0 0.02 0.27 -5 1 0 -0.25 0.28 4 -1 0 70.83 2.12 4 -1 0 64.37 2.79 4 -1 0 61.71 3.07 4 -1 0 65.86 2.97 4 -1 0 69.29 2.38 4 -1 0 65.92 3.10 -4 1 0 65.74 2.81 -4 1 0 62.37 3.21 -4 1 0 68.19 2.85 -4 1 0 68.25 3.46 -4 1 0 68.61 3.89 3 -1 0 369.90 10.05 3 -1 0 370.48 10.09 3 -1 0 359.99 9.49 3 -1 0 379.65 9.00 3 -1 0 353.47 9.66 3 -1 0 388.99 8.72 -3 1 0 385.55 9.60 -3 1 0 386.42 10.33 -3 1 0 364.57 10.37 -3 1 0 335.18 10.74 -3 1 0 390.13 9.74 2 -1 0 14.58 0.73 2 -1 0 15.01 1.15 2 -1 0 14.14 0.91 2 -1 0 14.11 0.60 2 -1 0 15.03 1.01 2 -1 0 14.69 0.98 2 -1 0 14.88 1.11 -2 1 0 15.06 1.16 -2 1 0 14.57 0.90 -2 1 0 13.67 1.16 -2 1 0 14.98 1.01 -2 1 0 14.70 1.33 1 -1 0 51.05 1.85 1 -1 0 50.63 1.95 1 -1 0 49.95 2.10 1 -1 0 51.55 2.03 -1 1 0 44.65 1.57 -1 1 0 53.57 1.88 -1 1 0 50.76 1.97 -1 1 0 49.58 2.02 -2 -1 0 174.25 4.90 -2 -1 0 179.23 4.78 -2 -1 0 164.98 4.86 -2 -1 0 169.49 4.66 -2 -1 0 185.63 4.45 -2 -1 0 177.37 4.74 -2 -1 0 177.69 4.70 2 1 0 178.99 4.76 2 1 0 180.82 4.95 2 1 0 182.99 4.46 2 1 0 173.67 4.71 2 1 0 180.01 4.66 2 1 0 180.47 4.72 2 1 0 171.78 4.91 -3 -1 0 145.06 4.47 -3 -1 0 153.46 4.61 -3 -1 0 148.09 4.47 -3 -1 0 153.87 4.10 -3 -1 0 144.97 4.50 -3 -1 0 154.61 4.35 3 1 0 150.78 4.51 3 1 0 149.35 4.38 3 1 0 151.99 4.09 3 1 0 141.82 4.69 3 1 0 154.36 4.58 3 1 0 155.48 4.56 -4 -1 0 117.06 4.19 -4 -1 0 121.20 3.39 -4 -1 0 122.14 3.78 -4 -1 0 117.29 4.14 -4 -1 0 118.22 4.04 -4 -1 0 113.06 3.93 4 1 0 120.40 3.98 4 1 0 116.96 3.91 4 1 0 114.53 4.02 4 1 0 116.06 3.58 4 1 0 117.26 4.06 -5 -1 0 36.24 1.59 -5 -1 0 42.31 2.35 -5 -1 0 34.26 2.03 -5 -1 0 34.75 2.26 -5 -1 0 37.20 1.98 -5 -1 0 37.97 1.86 -5 -1 0 35.48 2.22 5 1 0 39.96 2.05 5 1 0 36.61 2.06 5 1 0 34.92 1.96 5 1 0 34.61 2.12 5 1 0 37.03 1.77 5 1 0 35.28 2.11 -6 -1 0 261.71 7.45 -6 -1 0 237.89 7.05 -6 -1 0 260.95 6.83 -6 -1 0 255.56 8.17 6 1 0 264.08 7.66 6 1 0 256.76 7.40 6 1 0 266.53 7.16 6 1 0 231.11 7.69 6 1 0 242.16 7.88 6 1 0 248.33 7.71 -7 -1 0 -0.11 0.26 -7 -1 0 0.15 0.36 -7 -1 0 -0.03 0.18 -7 -1 0 0.50 0.36 -7 -1 0 -0.48 0.34 7 1 0 -0.13 0.27 7 1 0 -0.03 0.29 7 1 0 0.45 0.29 7 1 0 0.24 0.22 7 1 0 0.13 0.34 7 1 0 -0.41 0.30 -8 -1 0 23.55 1.44 -8 -1 0 22.55 1.59 -8 -1 0 26.22 1.73 -8 -1 0 23.19 2.18 8 1 0 23.86 2.13 8 1 0 25.04 1.93 8 1 0 23.19 2.05 8 1 0 24.10 1.64 8 1 0 24.11 1.92 -9 -1 0 8.96 0.87 -9 -1 0 9.29 1.60 -9 -1 0 10.96 2.28 -9 -1 0 9.05 1.60 -9 -1 0 10.50 1.11 9 1 0 12.38 1.60 9 1 0 10.69 1.13 9 1 0 9.31 1.22 9 1 0 12.64 1.40 9 1 0 6.61 1.29 -10 -1 0 5.81 1.39 -10 -1 0 3.72 1.27 -10 -1 0 5.99 1.27 10 1 0 5.29 1.24 10 1 0 6.07 1.11 10 1 0 3.89 0.91 10 1 0 5.42 0.94 10 1 0 5.48 1.23 -11 -1 0 29.50 3.65 -11 -1 0 26.61 2.71 -11 -1 0 19.05 2.32 11 1 0 27.95 2.47 11 1 0 27.32 2.59 11 1 0 24.54 2.00 11 1 0 25.23 1.88 10 -2 0 0.04 0.24 10 -2 0 -0.12 0.35 10 -2 0 -0.13 0.32 -10 2 0 -0.86 0.41 -10 2 0 -1.16 0.47 -10 2 0 -0.73 0.51 -10 2 0 -0.16 0.46 9 -2 0 50.15 2.81 9 -2 0 51.53 3.24 9 -2 0 53.65 3.39 9 -2 0 53.47 3.52 9 -2 0 44.21 3.15 -9 2 0 46.22 3.70 -9 2 0 53.44 3.92 -9 2 0 49.52 2.99 8 -2 0 0.02 0.56 8 -2 0 1.03 0.56 8 -2 0 1.14 0.62 8 -2 0 0.61 0.36 8 -2 0 0.63 0.45 8 -2 0 0.86 0.51 -8 2 0 2.56 0.84 -8 2 0 0.79 0.48 -8 2 0 0.94 0.49 7 -2 0 35.07 2.57 7 -2 0 32.37 2.13 7 -2 0 32.32 2.28 7 -2 0 31.56 2.51 7 -2 0 36.16 2.68 7 -2 0 33.51 1.73 -7 2 0 37.20 2.47 -7 2 0 35.14 3.60 -7 2 0 34.39 2.98 -7 2 0 31.79 2.80 6 -2 0 79.63 3.60 6 -2 0 78.97 4.07 6 -2 0 77.17 2.85 6 -2 0 73.92 3.87 6 -2 0 76.23 3.34 6 -2 0 71.31 3.68 -6 2 0 78.94 5.06 -6 2 0 78.98 3.69 -6 2 0 79.27 4.46 -6 2 0 78.76 4.33 5 -2 0 84.90 4.12 5 -2 0 79.45 3.50 5 -2 0 82.85 4.03 5 -2 0 89.22 3.00 5 -2 0 84.15 3.79 -5 2 0 84.91 3.77 -5 2 0 91.01 4.47 -5 2 0 87.30 4.48 -5 2 0 90.31 3.68 4 -2 0 144.02 4.83 4 -2 0 147.55 5.51 4 -2 0 141.17 5.46 4 -2 0 149.19 4.26 4 -2 0 142.02 5.04 -4 2 0 149.44 4.90 -4 2 0 150.10 5.78 -4 2 0 150.17 5.23 -4 2 0 146.81 5.89 -4 2 0 142.00 6.32 3 -2 0 2.71 0.56 3 -2 0 3.58 0.62 3 -2 0 2.94 0.59 3 -2 0 5.08 0.92 3 -2 0 4.93 0.76 -3 2 0 3.35 0.66 -3 2 0 4.55 0.71 -3 2 0 4.47 0.96 -3 2 0 4.17 0.74 -3 2 0 4.43 0.92 2 -2 0 54.94 2.71 2 -2 0 50.76 2.40 2 -2 0 49.79 2.09 2 -2 0 54.23 2.84 2 -2 0 51.89 2.57 -2 2 0 50.27 2.68 -2 2 0 53.58 2.64 -2 2 0 55.37 2.09 -2 2 0 51.15 2.39 -2 2 0 53.23 2.88 1 -2 0 135.57 4.31 1 -2 0 146.42 3.85 1 -2 0 132.57 4.41 1 -2 0 138.19 4.59 1 -2 0 139.97 4.59 -1 2 0 129.65 4.53 -1 2 0 142.46 4.51 -1 2 0 125.70 4.52 -1 2 0 134.94 4.29 0 -2 0 699.17 15.78 0 -2 0 660.73 15.59 0 -2 0 637.04 15.55 0 -2 0 637.26 15.34 0 2 0 596.51 15.57 0 2 0 677.50 15.41 -1 -2 0 70.25 2.19 -1 -2 0 64.79 2.38 -1 -2 0 66.18 2.39 -1 -2 0 63.84 2.20 -1 -2 0 63.65 2.28 -1 -2 0 65.66 2.51 -1 -2 0 67.69 1.67 1 2 0 70.18 1.67 1 2 0 64.15 2.14 1 2 0 65.65 2.23 1 2 0 63.35 2.46 1 2 0 61.40 2.32 1 2 0 69.17 2.30 -2 -2 0 40.69 1.71 -2 -2 0 45.55 1.56 -2 -2 0 44.74 1.85 -2 -2 0 40.43 2.03 -2 -2 0 41.61 1.51 2 2 0 45.79 2.10 2 2 0 43.54 1.55 2 2 0 44.14 1.76 2 2 0 45.10 1.71 2 2 0 43.47 1.80 2 2 0 44.98 1.57 2 2 0 45.40 1.88 -3 -2 0 167.00 4.16 -3 -2 0 171.50 4.43 -3 -2 0 142.26 5.06 -3 -2 0 162.82 5.05 -3 -2 0 172.26 4.91 -3 -2 0 162.30 4.87 -3 -2 0 169.55 4.91 -3 -2 0 155.72 4.72 3 2 0 160.66 4.63 3 2 0 166.10 4.43 3 2 0 166.86 5.09 3 2 0 162.95 4.75 3 2 0 165.35 4.86 3 2 0 159.92 4.68 3 2 0 167.11 5.24 -4 -2 0 170.79 5.19 -4 -2 0 158.01 5.34 -4 -2 0 170.27 4.20 -4 -2 0 172.70 5.09 -4 -2 0 157.58 5.15 -4 -2 0 163.25 4.57 -4 -2 0 158.15 5.02 -4 -2 0 155.32 5.32 4 2 0 162.89 4.58 4 2 0 162.54 5.37 4 2 0 164.24 4.87 4 2 0 155.67 5.00 4 2 0 157.49 5.38 4 2 0 166.15 5.02 4 2 0 160.24 5.12 -5 -2 0 246.38 7.51 -5 -2 0 263.82 7.79 -5 -2 0 260.55 6.29 -5 -2 0 264.66 8.02 -5 -2 0 267.08 7.65 -5 -2 0 256.16 6.89 -5 -2 0 252.82 7.65 -5 -2 0 283.25 7.46 5 2 0 236.65 7.86 5 2 0 256.06 7.69 5 2 0 250.48 7.36 5 2 0 236.15 7.47 5 2 0 252.15 7.55 5 2 0 258.29 6.90 5 2 0 256.93 7.23 -6 -2 0 4.50 0.88 -6 -2 0 3.89 0.43 -6 -2 0 3.44 0.81 -6 -2 0 4.62 0.95 6 2 0 4.69 0.80 6 2 0 4.77 1.02 6 2 0 3.52 0.76 6 2 0 4.31 0.82 6 2 0 3.87 0.79 6 2 0 4.24 0.59 -7 -2 0 30.16 2.23 -7 -2 0 25.21 1.72 -7 -2 0 28.02 2.14 -7 -2 0 27.07 1.97 7 2 0 30.17 1.92 7 2 0 28.57 2.04 7 2 0 29.03 1.93 7 2 0 27.64 2.12 7 2 0 26.73 2.08 7 2 0 30.12 1.71 -8 -2 0 48.34 3.03 -8 -2 0 44.31 2.61 -8 -2 0 47.46 3.01 -8 -2 0 47.51 2.46 8 2 0 46.09 2.58 8 2 0 45.13 2.50 8 2 0 45.59 2.31 8 2 0 45.95 2.64 8 2 0 44.61 2.91 8 2 0 46.13 2.94 -9 -2 0 127.69 5.76 -9 -2 0 151.64 5.34 -9 -2 0 131.33 4.81 9 2 0 138.44 5.06 9 2 0 139.79 5.05 9 2 0 138.93 4.80 9 2 0 114.01 5.43 -10 -2 0 46.17 3.22 -10 -2 0 37.77 2.33 -10 -2 0 50.16 4.55 -10 -2 0 42.91 3.27 -10 -2 0 49.94 2.68 10 2 0 48.57 2.54 10 2 0 43.51 2.56 10 2 0 50.12 3.23 10 2 0 38.42 3.00 -11 -2 0 -0.07 0.58 -11 -2 0 -1.13 0.48 11 2 0 -0.89 0.45 11 2 0 0.15 0.30 11 2 0 -0.36 0.34 11 2 0 0.44 0.48 10 -3 0 0.73 0.73 10 -3 0 3.24 0.86 10 -3 0 2.49 0.96 -10 3 0 2.38 1.09 -10 3 0 1.31 1.06 -10 3 0 2.54 0.81 -10 3 0 1.68 0.90 9 -3 0 8.86 1.69 9 -3 0 5.72 1.12 9 -3 0 7.78 1.29 -9 3 0 8.08 1.76 -9 3 0 5.64 1.08 -9 3 0 5.18 1.60 -9 3 0 5.67 1.59 8 -3 0 64.26 2.48 8 -3 0 58.76 3.77 8 -3 0 63.79 3.95 8 -3 0 64.17 3.74 8 -3 0 63.18 3.26 -8 3 0 59.54 4.25 -8 3 0 66.14 5.25 -8 3 0 52.20 3.94 -8 3 0 55.35 3.41 7 -3 0 30.44 2.61 7 -3 0 27.53 2.51 7 -3 0 31.17 2.47 7 -3 0 32.89 2.20 7 -3 0 31.52 1.64 -7 3 0 30.73 2.93 -7 3 0 33.75 3.53 -7 3 0 33.05 2.49 -7 3 0 29.07 2.71 6 -3 0 1.70 0.62 6 -3 0 0.63 0.70 6 -3 0 1.76 0.42 6 -3 0 1.17 0.43 -6 3 0 1.20 0.57 -6 3 0 1.23 0.59 -6 3 0 1.14 0.81 -6 3 0 1.61 0.65 5 -3 0 28.98 2.09 5 -3 0 29.40 2.42 5 -3 0 30.42 2.42 5 -3 0 31.65 1.59 -5 3 0 32.68 2.62 -5 3 0 34.87 2.40 -5 3 0 27.95 2.59 4 -3 0 14.18 1.34 4 -3 0 12.27 1.48 4 -3 0 14.09 1.00 4 -3 0 15.03 1.66 -4 3 0 14.90 1.95 -4 3 0 14.61 1.72 -4 3 0 12.60 1.18 -4 3 0 12.57 1.62 -4 3 0 13.85 1.46 3 -3 0 327.43 9.12 3 -3 0 339.89 8.23 3 -3 0 351.34 10.84 3 -3 0 332.42 9.76 3 -3 0 338.46 10.16 -3 3 0 332.92 10.52 -3 3 0 338.54 10.31 -3 3 0 336.38 9.00 -3 3 0 334.80 9.80 -3 3 0 326.42 10.81 2 -3 0 10.09 1.27 2 -3 0 8.65 1.02 2 -3 0 11.18 1.24 2 -3 0 10.22 0.80 2 -3 0 9.66 1.20 2 -3 0 11.13 0.92 -2 3 0 10.67 0.87 -2 3 0 10.92 1.19 -2 3 0 10.16 1.31 -2 3 0 9.24 1.22 -2 3 0 10.17 1.19 1 -3 0 11.07 1.23 1 -3 0 10.90 0.76 1 -3 0 10.43 0.89 1 -3 0 9.75 1.04 1 -3 0 9.82 1.08 -1 3 0 9.55 1.03 -1 3 0 10.24 1.20 -1 3 0 10.54 1.13 -1 3 0 9.56 1.18 0 -3 0 35.54 2.05 0 -3 0 35.45 1.84 0 -3 0 37.63 1.97 0 -3 0 36.94 2.01 0 -3 0 37.49 2.03 0 3 0 37.32 1.96 0 3 0 35.39 2.06 0 3 0 37.31 1.88 0 3 0 34.23 1.97 0 3 0 40.50 2.08 -1 -3 0 10.84 0.94 -1 -3 0 11.08 1.03 -1 -3 0 12.00 1.07 -1 -3 0 10.22 0.97 1 3 0 10.80 0.91 1 3 0 10.36 1.00 1 3 0 9.61 0.97 1 3 0 10.42 0.85 1 3 0 11.51 0.98 -2 -3 0 334.38 8.39 -2 -3 0 300.50 8.15 -2 -3 0 310.71 9.00 -2 -3 0 304.21 8.42 -2 -3 0 327.35 8.66 2 3 0 331.34 8.63 2 3 0 328.83 8.39 2 3 0 326.11 8.27 2 3 0 310.23 8.93 2 3 0 322.61 8.38 2 3 0 334.93 7.62 -3 -3 0 2.03 0.43 -3 -3 0 2.66 0.56 -3 -3 0 3.53 0.46 -3 -3 0 2.00 0.45 -3 -3 0 3.49 0.44 -3 -3 0 3.66 0.69 3 3 0 3.41 0.67 3 3 0 2.27 0.49 3 3 0 3.42 0.44 3 3 0 2.29 0.62 3 3 0 2.44 0.49 3 3 0 2.89 0.44 3 3 0 2.09 0.43 -4 -3 0 93.11 3.59 -4 -3 0 91.99 3.52 -4 -3 0 97.85 3.64 -4 -3 0 94.36 3.05 -4 -3 0 91.14 3.68 -4 -3 0 90.64 3.96 -4 -3 0 91.99 3.45 -4 -3 0 96.16 2.78 4 3 0 92.38 3.75 4 3 0 93.51 3.96 4 3 0 96.88 3.45 4 3 0 90.08 3.24 4 3 0 100.09 3.18 4 3 0 96.73 3.34 4 3 0 90.88 3.48 -5 -3 0 2.94 0.51 -5 -3 0 2.91 0.60 -5 -3 0 1.97 0.47 -5 -3 0 2.77 0.59 -5 -3 0 3.69 0.88 -5 -3 0 3.38 0.61 -5 -3 0 2.76 0.74 5 3 0 2.04 0.62 5 3 0 4.09 0.76 5 3 0 3.28 0.69 5 3 0 3.91 0.64 5 3 0 2.18 0.62 5 3 0 1.77 0.44 5 3 0 2.75 0.51 -6 -3 0 292.21 9.06 -6 -3 0 285.46 7.77 -6 -3 0 283.16 8.70 -6 -3 0 299.00 8.65 -6 -3 0 303.76 8.57 6 3 0 289.49 8.08 6 3 0 291.13 7.83 6 3 0 282.51 8.68 6 3 0 289.22 9.00 6 3 0 281.05 8.51 6 3 0 279.37 9.10 6 3 0 284.81 8.24 -7 -3 0 37.00 2.51 -7 -3 0 36.52 2.37 -7 -3 0 37.66 2.44 -7 -3 0 34.64 2.16 -7 -3 0 33.42 1.88 7 3 0 35.02 2.39 7 3 0 38.71 2.46 7 3 0 38.37 2.56 7 3 0 36.76 2.06 7 3 0 34.72 2.08 7 3 0 38.26 1.97 -8 -3 0 0.73 0.42 -8 -3 0 0.94 0.59 -8 -3 0 1.37 0.53 -8 -3 0 0.67 0.52 8 3 0 1.84 0.53 8 3 0 0.63 0.48 8 3 0 1.68 0.59 8 3 0 0.88 0.42 8 3 0 0.95 0.39 -9 -3 0 3.02 0.79 -9 -3 0 1.97 0.71 -9 -3 0 3.95 0.94 9 3 0 3.06 0.70 9 3 0 2.10 0.66 9 3 0 3.69 0.71 9 3 0 3.29 0.98 -10 -3 0 9.61 1.25 -10 -3 0 9.29 1.53 -10 -3 0 12.52 1.64 10 3 0 14.21 1.76 10 3 0 14.28 1.75 10 3 0 12.07 1.19 10 3 0 10.68 1.25 10 3 0 11.77 1.19 -11 -3 0 77.18 4.31 -11 -3 0 62.50 3.17 -11 -3 0 60.36 3.86 -11 -3 0 69.07 5.50 11 3 0 66.40 2.90 11 3 0 72.91 4.17 11 3 0 68.79 3.13 11 3 0 62.49 2.87 11 3 0 67.73 4.05 9 -4 0 7.46 1.51 9 -4 0 11.64 1.44 9 -4 0 12.78 1.75 -9 4 0 11.86 2.38 -9 4 0 8.05 1.51 -9 4 0 9.11 1.71 8 -4 0 0.25 0.31 8 -4 0 0.47 0.38 8 -4 0 0.33 0.30 8 -4 0 0.11 0.60 -8 4 0 0.09 0.45 -8 4 0 0.08 0.62 -8 4 0 -0.01 0.61 -8 4 0 -0.41 0.40 7 -4 0 15.60 1.79 7 -4 0 12.77 1.03 7 -4 0 10.47 1.58 7 -4 0 16.65 1.96 -7 4 0 14.96 2.70 -7 4 0 14.91 2.32 -7 4 0 12.90 1.59 -7 4 0 11.59 1.93 6 -4 0 123.44 5.20 6 -4 0 125.88 5.84 6 -4 0 125.33 4.05 6 -4 0 117.50 5.71 -6 4 0 129.51 7.08 -6 4 0 121.84 5.46 -6 4 0 123.87 6.34 -6 4 0 134.09 6.36 5 -4 0 -0.25 0.18 5 -4 0 -0.45 0.35 5 -4 0 -0.16 0.26 5 -4 0 -0.22 0.15 -5 4 0 0.12 0.32 -5 4 0 0.07 0.32 -5 4 0 -0.01 0.35 4 -4 0 2.20 0.69 4 -4 0 1.71 0.50 4 -4 0 1.27 0.60 4 -4 0 1.22 0.59 -4 4 0 1.75 0.88 -4 4 0 0.70 0.32 -4 4 0 1.66 0.65 -4 4 0 1.48 0.59 -4 4 0 0.82 0.51 3 -4 0 0.99 0.47 3 -4 0 0.52 0.35 3 -4 0 2.07 0.62 3 -4 0 1.39 0.40 3 -4 0 0.48 0.49 3 -4 0 0.69 0.43 -3 4 0 0.94 0.59 -3 4 0 0.53 0.34 -3 4 0 0.56 0.35 -3 4 0 0.47 0.28 2 -4 0 151.62 6.11 2 -4 0 166.70 6.16 2 -4 0 158.84 6.25 2 -4 0 154.88 4.86 2 -4 0 160.37 4.88 2 -4 0 161.57 5.87 -2 4 0 153.87 6.27 -2 4 0 164.70 6.17 -2 4 0 169.76 5.94 -2 4 0 150.20 6.20 1 -4 0 61.87 3.24 1 -4 0 66.60 3.23 1 -4 0 66.36 2.31 1 -4 0 65.99 2.80 1 -4 0 62.82 3.38 1 -4 0 65.81 3.37 -1 4 0 62.55 3.26 -1 4 0 64.05 3.18 -1 4 0 65.53 3.44 0 -4 0 237.37 7.65 0 -4 0 258.48 8.10 0 -4 0 256.39 7.60 0 -4 0 263.64 6.26 0 -4 0 273.42 8.08 0 4 0 270.20 8.01 0 4 0 255.21 7.97 0 4 0 253.71 8.11 0 4 0 265.36 7.85 -1 -4 0 5.21 0.81 -1 -4 0 6.44 1.03 -1 -4 0 5.21 0.89 -1 -4 0 5.21 0.84 -1 -4 0 7.38 0.96 1 4 0 6.23 1.00 1 4 0 7.16 1.22 1 4 0 6.88 0.87 1 4 0 6.90 0.88 -2 -4 0 9.39 0.90 -2 -4 0 10.81 1.09 -2 -4 0 9.45 1.00 -2 -4 0 10.08 1.11 -2 -4 0 9.25 0.94 2 4 0 8.17 0.99 2 4 0 10.90 1.24 2 4 0 9.02 0.94 2 4 0 8.36 0.89 2 4 0 9.67 0.49 2 4 0 11.14 0.98 -3 -4 0 595.50 15.45 -3 -4 0 634.64 15.78 -3 -4 0 595.41 15.39 -3 -4 0 620.79 16.44 -3 -4 0 636.35 14.97 -3 -4 0 606.24 15.05 3 4 0 606.52 15.59 3 4 0 628.07 14.49 3 4 0 627.28 16.37 3 4 0 617.89 15.32 3 4 0 637.36 15.25 3 4 0 633.33 15.52 -4 -4 0 5.51 1.14 -4 -4 0 5.58 0.92 -4 -4 0 4.70 0.60 -4 -4 0 6.06 0.84 -4 -4 0 5.74 0.61 -4 -4 0 5.05 0.85 4 4 0 5.80 0.64 4 4 0 5.66 0.73 4 4 0 3.71 0.75 4 4 0 5.12 0.83 4 4 0 7.12 0.74 -5 -4 0 82.70 3.71 -5 -4 0 85.13 3.50 -5 -4 0 79.94 3.54 -5 -4 0 82.66 2.62 -5 -4 0 86.44 4.16 -5 -4 0 85.06 3.64 -5 -4 0 81.13 2.95 5 4 0 83.33 3.20 5 4 0 76.09 3.42 5 4 0 79.12 3.70 5 4 0 85.79 3.29 5 4 0 82.80 4.03 5 4 0 83.64 3.34 -6 -4 0 0.52 0.26 -6 -4 0 0.13 0.35 -6 -4 0 -0.09 0.22 -6 -4 0 0.15 0.28 -6 -4 0 0.28 0.34 6 4 0 0.09 0.28 6 4 0 0.02 0.29 6 4 0 0.13 0.19 6 4 0 0.39 0.31 6 4 0 0.28 0.26 6 4 0 0.15 0.25 -7 -4 0 95.27 4.22 -7 -4 0 99.24 4.19 -7 -4 0 100.95 4.70 -7 -4 0 97.38 4.15 -7 -4 0 93.32 3.49 7 4 0 101.95 3.71 7 4 0 97.15 4.65 7 4 0 96.27 3.79 7 4 0 90.85 4.22 7 4 0 95.17 3.58 7 4 0 88.60 4.45 7 4 0 96.10 4.09 -8 -4 0 217.18 7.43 -8 -4 0 206.32 6.45 -8 -4 0 207.38 7.14 -8 -4 0 216.30 7.59 -8 -4 0 240.13 8.12 8 4 0 225.90 7.91 8 4 0 218.99 6.57 8 4 0 217.95 6.57 8 4 0 214.84 7.57 8 4 0 217.27 7.43 -9 -4 0 40.88 2.83 -9 -4 0 40.62 2.87 -9 -4 0 35.79 2.39 -9 -4 0 41.85 2.71 9 4 0 33.81 2.65 9 4 0 43.94 2.26 9 4 0 39.67 2.73 9 4 0 39.52 2.16 -10 -4 0 13.60 1.44 -10 -4 0 9.61 1.32 -10 -4 0 15.51 1.59 -10 -4 0 9.68 1.51 10 4 0 12.49 1.19 10 4 0 14.33 1.77 10 4 0 13.93 1.69 10 4 0 11.27 1.12 10 4 0 12.21 1.22 -11 -4 0 2.55 0.86 -11 -4 0 3.35 0.81 -11 -4 0 2.29 0.78 -11 -4 0 1.79 0.75 11 4 0 2.16 0.72 11 4 0 2.72 0.60 11 4 0 3.70 1.04 11 4 0 3.26 0.69 11 4 0 3.32 0.57 9 -5 0 46.52 3.33 9 -5 0 46.59 3.64 9 -5 0 45.44 2.92 -9 5 0 43.16 4.06 -9 5 0 36.29 3.09 -9 5 0 40.49 4.34 -9 5 0 39.77 3.97 8 -5 0 18.02 2.00 8 -5 0 21.03 1.92 8 -5 0 19.00 1.21 8 -5 0 20.72 2.26 -8 5 0 17.78 2.87 -8 5 0 19.94 3.34 -8 5 0 18.65 2.49 7 -5 0 36.61 2.77 7 -5 0 35.59 3.02 7 -5 0 45.82 2.07 7 -5 0 42.80 3.39 -7 5 0 42.05 4.03 -7 5 0 39.27 3.08 -7 5 0 43.96 3.80 -7 5 0 45.61 3.75 6 -5 0 0.99 0.58 6 -5 0 1.02 0.76 6 -5 0 2.13 0.52 6 -5 0 1.75 0.62 -6 5 0 2.37 0.81 -6 5 0 1.75 0.90 -6 5 0 1.09 0.54 -6 5 0 2.73 0.88 5 -5 0 164.41 6.95 5 -5 0 161.29 6.96 5 -5 0 149.59 5.79 -5 5 0 168.53 7.97 -5 5 0 165.76 6.67 -5 5 0 159.04 7.22 -5 5 0 151.86 7.30 4 -5 0 26.95 2.33 4 -5 0 25.86 1.91 4 -5 0 24.62 2.39 4 -5 0 23.86 2.57 4 -5 0 28.61 1.42 -4 5 0 27.98 2.73 -4 5 0 28.75 2.44 -4 5 0 28.82 2.80 -4 5 0 26.33 2.53 3 -5 0 123.39 5.89 3 -5 0 118.42 5.69 3 -5 0 123.45 4.10 3 -5 0 120.48 4.38 3 -5 0 120.79 5.56 -3 5 0 118.96 4.32 -3 5 0 128.93 5.46 -3 5 0 111.75 5.73 -3 5 0 117.31 5.78 -3 5 0 125.33 5.74 2 -5 0 10.74 1.08 2 -5 0 12.54 1.87 2 -5 0 10.76 1.00 -2 5 0 12.25 2.05 -2 5 0 11.79 1.46 1 -5 0 23.73 1.28 1 -5 0 24.47 2.15 1 -5 0 22.20 2.03 1 -5 0 23.97 2.01 1 -5 0 24.23 2.13 1 -5 0 23.51 1.71 -1 5 0 23.19 1.94 -1 5 0 26.25 2.24 -1 5 0 24.91 2.23 0 -5 0 154.07 5.50 0 -5 0 146.31 5.59 0 -5 0 155.86 5.88 0 -5 0 156.31 6.00 0 -5 0 157.31 5.84 0 -5 0 155.32 4.01 0 5 0 146.94 5.59 0 5 0 141.86 5.71 0 5 0 154.43 5.79 -1 -5 0 36.60 2.45 -1 -5 0 36.84 2.30 -1 -5 0 33.91 2.30 -1 -5 0 36.25 2.34 -1 -5 0 34.17 2.28 1 5 0 34.36 2.27 1 5 0 33.39 2.37 1 5 0 34.04 2.30 1 5 0 34.30 2.21 -2 -5 0 264.41 8.73 -2 -5 0 280.49 8.58 -2 -5 0 270.80 8.33 -2 -5 0 252.81 7.97 -2 -5 0 278.25 8.48 2 5 0 278.33 8.24 2 5 0 279.65 8.18 2 5 0 287.61 8.82 2 5 0 275.37 8.54 2 5 0 268.11 8.38 2 5 0 270.24 7.76 -3 -5 0 0.35 0.26 -3 -5 0 0.02 0.18 -3 -5 0 -0.11 0.18 -3 -5 0 0.18 0.28 -3 -5 0 -0.10 0.15 3 5 0 0.10 0.22 3 5 0 0.31 0.17 3 5 0 0.22 0.26 3 5 0 0.08 0.30 3 5 0 0.16 0.31 3 5 0 0.54 0.34 -4 -5 0 348.56 9.16 -4 -5 0 340.26 9.72 -4 -5 0 333.74 9.89 -4 -5 0 341.21 9.74 -4 -5 0 352.25 10.84 -4 -5 0 342.89 9.06 4 5 0 344.37 8.66 4 5 0 345.97 9.29 4 5 0 336.36 10.60 4 5 0 343.41 9.79 4 5 0 343.08 9.47 4 5 0 322.67 9.41 -5 -5 0 129.21 5.05 -5 -5 0 134.20 5.08 -5 -5 0 136.67 4.98 -5 -5 0 133.50 5.12 -5 -5 0 135.09 4.16 -5 -5 0 133.79 5.78 -5 -5 0 128.56 4.27 5 5 0 124.54 4.78 5 5 0 140.45 5.78 5 5 0 143.36 4.45 5 5 0 136.66 4.30 5 5 0 132.35 4.59 5 5 0 123.33 5.04 5 5 0 126.41 4.76 -6 -5 0 102.78 3.12 -6 -5 0 108.65 4.30 -6 -5 0 97.90 4.30 -6 -5 0 95.97 3.51 -6 -5 0 100.83 4.30 6 5 0 91.81 4.38 6 5 0 97.33 3.71 6 5 0 100.42 3.84 6 5 0 90.34 4.08 6 5 0 102.29 3.99 6 5 0 103.22 4.91 -7 -5 0 37.90 2.45 -7 -5 0 33.38 1.88 -7 -5 0 41.19 2.54 -7 -5 0 42.86 3.06 -7 -5 0 34.90 2.41 7 5 0 37.04 2.73 7 5 0 39.26 2.92 7 5 0 37.24 2.30 7 5 0 37.04 2.48 7 5 0 34.62 2.02 7 5 0 36.65 2.17 -8 -5 0 55.66 3.12 -8 -5 0 50.65 3.04 -8 -5 0 50.38 2.46 -8 -5 0 56.22 3.23 -8 -5 0 49.81 3.42 8 5 0 53.63 3.49 8 5 0 55.93 3.56 8 5 0 51.76 3.17 8 5 0 52.61 2.96 8 5 0 49.33 2.44 -9 -5 0 38.69 2.99 -9 -5 0 40.27 2.24 -9 -5 0 41.52 2.82 -9 -5 0 43.06 2.73 -9 -5 0 40.96 2.70 9 5 0 45.50 2.27 9 5 0 41.56 2.24 9 5 0 45.15 2.89 9 5 0 45.75 2.38 -10 -5 0 2.48 0.68 -10 -5 0 1.48 0.77 -10 -5 0 3.54 0.99 -10 -5 0 3.35 1.10 10 5 0 3.29 0.65 10 5 0 3.81 0.79 10 5 0 1.89 0.76 10 5 0 6.21 1.31 10 5 0 3.42 0.70 -11 -5 0 40.95 2.80 -11 -5 0 43.99 3.05 -11 -5 0 43.96 2.99 -11 -5 0 31.13 2.47 11 5 0 37.28 1.75 11 5 0 38.47 2.99 11 5 0 38.80 2.91 8 -6 0 39.59 1.83 8 -6 0 37.34 2.89 8 -6 0 38.45 3.24 -8 6 0 32.17 3.42 -8 6 0 32.37 3.82 -8 6 0 29.58 3.02 7 -6 0 0.00 0.42 7 -6 0 -0.17 0.48 7 -6 0 0.36 0.27 -7 6 0 0.18 0.62 -7 6 0 -0.44 0.62 -7 6 0 0.68 0.50 -7 6 0 0.72 0.64 6 -6 0 132.39 4.37 6 -6 0 129.89 6.39 6 -6 0 120.09 5.24 6 -6 0 130.73 6.41 -6 6 0 114.64 6.29 -6 6 0 128.07 7.17 -6 6 0 121.66 6.78 -6 6 0 118.74 5.89 5 -6 0 0.13 0.59 5 -6 0 1.72 0.63 5 -6 0 0.94 0.56 -5 6 0 0.81 0.73 -5 6 0 0.44 0.60 -5 6 0 0.20 0.29 -5 6 0 1.75 0.90 4 -6 0 24.62 2.36 4 -6 0 25.06 1.50 4 -6 0 23.37 2.57 4 -6 0 23.19 1.82 -4 6 0 26.54 2.78 -4 6 0 25.18 2.52 -4 6 0 20.82 2.53 -4 6 0 24.83 2.40 3 -6 0 46.91 3.48 3 -6 0 42.07 3.32 3 -6 0 45.65 2.39 3 -6 0 46.63 2.46 3 -6 0 48.39 3.30 3 -6 0 48.78 3.44 -3 6 0 48.31 3.52 -3 6 0 48.61 3.69 -3 6 0 47.88 3.28 -3 6 0 44.98 2.42 2 -6 0 156.44 6.31 2 -6 0 156.51 6.75 2 -6 0 149.80 5.33 2 -6 0 151.72 6.53 2 -6 0 160.87 4.92 2 -6 0 147.76 6.55 -2 6 0 149.05 6.76 -2 6 0 129.93 6.17 -2 6 0 149.69 6.25 -2 6 0 150.68 6.78 1 -6 0 282.64 9.40 1 -6 0 255.32 9.56 1 -6 0 286.84 9.68 1 -6 0 302.77 8.88 1 -6 0 284.65 9.67 1 -6 0 289.44 7.51 -1 6 0 285.43 10.00 -1 6 0 292.03 9.49 -1 6 0 277.18 9.78 -1 6 0 293.03 9.74 0 -6 0 23.80 2.16 0 -6 0 23.62 2.09 0 -6 0 25.10 1.12 0 -6 0 25.69 2.02 0 -6 0 26.13 2.17 0 6 0 25.90 2.15 0 6 0 24.84 2.33 0 6 0 25.58 2.25 0 6 0 27.18 2.28 -1 -6 0 42.19 2.73 -1 -6 0 46.53 2.93 -1 -6 0 45.35 2.99 -1 -6 0 46.69 2.93 -1 -6 0 45.03 2.88 1 6 0 47.89 2.91 1 6 0 50.55 2.93 1 6 0 45.79 3.09 1 6 0 48.14 2.97 1 6 0 48.79 3.04 -2 -6 0 2.18 0.70 -2 -6 0 2.18 0.59 -2 -6 0 3.24 0.75 -2 -6 0 2.33 0.72 -2 -6 0 2.40 0.73 2 6 0 4.33 1.01 2 6 0 3.02 0.71 2 6 0 2.29 0.74 2 6 0 2.41 0.70 2 6 0 2.56 0.62 2 6 0 3.87 0.95 -3 -6 0 381.18 10.96 -3 -6 0 377.83 11.52 -3 -6 0 407.77 12.23 -3 -6 0 398.25 11.45 -3 -6 0 392.78 11.62 3 6 0 387.92 12.00 3 6 0 404.68 9.14 3 6 0 398.99 11.09 3 6 0 394.23 11.56 3 6 0 381.75 10.79 3 6 0 396.16 11.18 -4 -6 0 110.14 4.74 -4 -6 0 108.16 4.89 -4 -6 0 112.56 4.60 -4 -6 0 112.39 5.34 -4 -6 0 108.87 4.20 -4 -6 0 110.44 4.42 4 6 0 107.11 4.39 4 6 0 117.17 5.31 4 6 0 109.21 4.36 4 6 0 111.30 3.34 4 6 0 115.41 4.40 4 6 0 112.33 4.67 -5 -6 0 4.19 1.10 -5 -6 0 3.97 0.66 -5 -6 0 2.86 0.64 -5 -6 0 3.24 0.91 -5 -6 0 5.10 0.98 5 6 0 3.55 0.82 5 6 0 3.87 0.85 5 6 0 1.99 0.72 5 6 0 2.23 0.66 5 6 0 3.72 0.62 5 6 0 2.27 0.58 5 6 0 4.76 0.81 -6 -6 0 40.40 2.57 -6 -6 0 37.62 2.60 -6 -6 0 36.62 2.51 -6 -6 0 42.83 3.16 -6 -6 0 39.05 2.04 -6 -6 0 40.48 1.92 6 6 0 37.73 2.06 6 6 0 40.41 2.28 6 6 0 36.90 2.62 6 6 0 43.24 3.13 6 6 0 36.93 2.41 6 6 0 38.59 2.34 -7 -6 0 20.68 1.10 -7 -6 0 19.43 2.21 -7 -6 0 18.76 1.40 -7 -6 0 20.99 1.80 -7 -6 0 21.65 1.85 -7 -6 0 21.06 1.89 7 6 0 19.05 1.61 7 6 0 18.97 2.11 7 6 0 18.64 1.79 7 6 0 21.34 2.08 7 6 0 19.18 1.52 7 6 0 20.80 1.62 -8 -6 0 242.73 8.29 -8 -6 0 255.89 8.22 -8 -6 0 251.18 9.33 -8 -6 0 236.36 7.15 -8 -6 0 231.36 8.23 8 6 0 235.34 9.02 8 6 0 245.87 7.81 8 6 0 246.44 8.35 8 6 0 247.99 8.85 8 6 0 250.46 7.29 -9 -6 0 -0.14 0.40 -9 -6 0 0.77 0.34 -9 -6 0 0.68 0.56 -9 -6 0 0.55 0.53 9 6 0 0.62 0.58 9 6 0 1.01 0.60 9 6 0 1.00 0.60 9 6 0 0.54 0.37 9 6 0 0.51 0.41 -10 -6 0 2.47 0.67 -10 -6 0 2.27 1.01 -10 -6 0 2.57 0.82 -10 -6 0 1.81 0.84 10 6 0 2.30 0.83 10 6 0 3.19 0.58 10 6 0 3.44 0.68 10 6 0 1.69 0.63 -11 -6 0 -0.64 0.47 -11 -6 0 -0.65 0.33 11 6 0 0.34 0.25 11 6 0 0.59 0.54 8 -7 0 0.96 0.57 8 -7 0 0.39 0.31 8 -7 0 0.74 0.66 -8 7 0 0.00 0.79 -8 7 0 -0.55 0.50 -8 7 0 -0.40 0.93 7 -7 0 -0.53 0.33 7 -7 0 -0.47 0.53 -7 7 0 0.30 0.67 -7 7 0 -0.69 0.70 -7 7 0 -0.12 0.56 -7 7 0 0.25 0.49 6 -7 0 3.30 1.03 6 -7 0 6.43 0.83 6 -7 0 6.55 1.29 -6 7 0 5.71 1.04 -6 7 0 5.39 1.32 -6 7 0 4.92 1.46 -6 7 0 4.71 1.40 5 -7 0 121.55 4.96 5 -7 0 114.34 6.02 5 -7 0 114.27 3.59 5 -7 0 111.66 6.04 -5 7 0 114.58 6.32 -5 7 0 111.43 6.72 -5 7 0 110.56 5.73 -5 7 0 120.02 6.72 4 -7 0 46.65 2.30 4 -7 0 42.29 3.30 4 -7 0 42.65 2.55 4 -7 0 41.29 3.40 4 -7 0 38.03 3.38 4 -7 0 44.31 3.65 -4 7 0 40.74 3.69 -4 7 0 37.05 3.30 -4 7 0 42.50 3.72 -4 7 0 44.78 3.36 3 -7 0 47.68 3.71 3 -7 0 48.46 3.46 3 -7 0 50.73 3.70 3 -7 0 47.97 2.53 3 -7 0 50.44 3.75 3 -7 0 53.07 2.74 -3 7 0 46.63 3.62 -3 7 0 47.52 3.79 -3 7 0 48.74 3.49 -3 7 0 47.54 3.88 2 -7 0 0.76 0.46 2 -7 0 0.74 0.36 2 -7 0 0.81 0.44 2 -7 0 0.97 0.51 -2 7 0 -0.18 0.49 -2 7 0 1.20 0.50 -2 7 0 0.63 0.53 -2 7 0 0.32 0.37 1 -7 0 12.55 1.62 1 -7 0 13.84 1.80 1 -7 0 11.36 1.39 1 -7 0 11.90 0.93 -1 7 0 10.14 1.92 -1 7 0 12.65 1.51 0 -7 0 333.83 10.94 0 -7 0 348.63 11.23 0 -7 0 324.56 11.26 0 -7 0 353.43 8.43 0 -7 0 356.80 10.81 0 7 0 354.11 11.27 0 7 0 340.61 11.58 0 7 0 329.36 11.19 0 7 0 350.52 11.05 -1 -7 0 7.83 1.36 -1 -7 0 8.94 1.44 -1 -7 0 6.07 1.21 1 7 0 7.60 1.42 1 7 0 7.85 1.39 1 7 0 6.27 1.16 1 7 0 8.23 1.41 -2 -7 0 104.62 4.90 -2 -7 0 101.96 5.00 -2 -7 0 97.70 4.60 -2 -7 0 104.78 5.13 -2 -7 0 121.11 5.17 2 7 0 109.26 5.11 2 7 0 107.60 4.32 2 7 0 100.49 4.69 2 7 0 110.12 4.81 2 7 0 103.58 5.05 2 7 0 106.42 4.98 -3 -7 0 -0.01 0.19 -3 -7 0 0.86 0.49 -3 -7 0 0.62 0.46 -3 -7 0 0.25 0.40 -3 -7 0 1.12 0.45 3 7 0 1.01 0.45 3 7 0 0.51 0.37 3 7 0 0.36 0.41 3 7 0 1.45 0.65 3 7 0 1.25 0.47 -4 -7 0 151.64 5.99 -4 -7 0 159.40 6.29 -4 -7 0 153.77 5.74 -4 -7 0 159.80 6.42 -4 -7 0 155.61 5.65 4 7 0 153.35 5.78 4 7 0 159.85 6.73 4 7 0 153.31 6.10 4 7 0 146.93 5.61 4 7 0 164.26 4.22 4 7 0 155.19 5.75 -5 -7 0 157.88 6.04 -5 -7 0 160.11 6.28 -5 -7 0 160.98 6.60 -5 -7 0 156.61 5.30 -5 -7 0 158.92 7.02 -5 -7 0 162.08 5.52 5 7 0 156.01 5.92 5 7 0 161.73 5.76 5 7 0 159.07 4.62 5 7 0 150.26 5.60 5 7 0 153.41 5.56 5 7 0 151.76 6.76 5 7 0 155.89 6.02 -6 -7 0 58.57 2.77 -6 -7 0 60.94 3.51 -6 -7 0 64.50 4.23 -6 -7 0 62.72 2.83 -6 -7 0 64.43 3.50 6 7 0 69.19 4.21 6 7 0 56.14 3.38 6 7 0 66.52 2.98 6 7 0 62.20 2.62 6 7 0 61.36 3.07 6 7 0 56.37 3.15 6 7 0 62.07 3.31 -7 -7 0 19.15 1.92 -7 -7 0 19.21 1.88 -7 -7 0 20.79 2.35 -7 -7 0 21.69 1.39 -7 -7 0 18.24 1.47 -7 -7 0 19.05 1.83 7 7 0 19.89 1.75 7 7 0 19.92 1.86 7 7 0 18.97 1.98 7 7 0 17.65 2.13 7 7 0 20.71 1.58 7 7 0 21.24 1.57 -8 -7 0 21.91 2.45 -8 -7 0 19.11 1.90 -8 -7 0 18.98 1.87 -8 -7 0 16.84 1.89 -8 -7 0 17.65 1.44 8 7 0 21.50 2.42 8 7 0 19.31 1.91 8 7 0 20.13 1.67 8 7 0 19.08 1.64 8 7 0 21.11 2.19 8 7 0 19.39 1.51 -9 -7 0 99.56 5.60 -9 -7 0 101.29 4.65 -9 -7 0 103.67 4.85 9 7 0 102.98 5.35 9 7 0 103.70 3.86 9 7 0 109.22 4.56 9 7 0 103.58 4.94 -10 -7 0 15.48 2.10 -10 -7 0 15.17 1.69 -10 -7 0 13.67 1.54 10 7 0 14.16 1.58 10 7 0 14.25 1.78 10 7 0 14.10 1.20 10 7 0 13.82 1.19 10 7 0 13.62 1.95 -11 -7 0 11.85 2.07 -11 -7 0 11.12 1.68 -11 -7 0 14.22 1.69 11 7 0 9.65 1.58 11 7 0 14.18 1.69 7 -8 0 6.13 1.48 7 -8 0 6.77 0.97 7 -8 0 9.58 1.62 -7 8 0 4.77 1.75 -7 8 0 6.89 1.90 -7 8 0 4.77 1.50 6 -8 0 26.90 2.76 6 -8 0 24.11 2.12 -6 8 0 23.85 2.95 -6 8 0 23.21 2.72 -6 8 0 25.27 3.14 5 -8 0 -0.29 0.25 5 -8 0 -0.24 0.47 -5 8 0 -0.11 0.60 -5 8 0 -1.37 0.51 -5 8 0 0.01 0.44 -5 8 0 0.06 0.51 4 -8 0 12.38 1.26 4 -8 0 11.70 1.91 4 -8 0 13.41 1.40 4 -8 0 13.22 2.30 4 -8 0 14.46 2.41 -4 8 0 11.79 2.08 -4 8 0 14.13 2.35 -4 8 0 11.57 2.32 -4 8 0 12.80 2.05 3 -8 0 156.23 7.03 3 -8 0 155.07 5.32 3 -8 0 144.28 7.09 3 -8 0 146.63 7.31 3 -8 0 156.08 7.43 3 -8 0 162.38 5.74 -3 8 0 150.11 7.48 -3 8 0 150.18 7.23 -3 8 0 150.62 6.91 -3 8 0 143.57 7.50 2 -8 0 16.61 2.12 2 -8 0 24.39 2.05 2 -8 0 21.65 2.36 2 -8 0 21.02 2.51 2 -8 0 21.87 2.38 2 -8 0 22.91 1.53 -2 8 0 20.30 2.53 -2 8 0 19.86 2.26 -2 8 0 22.89 2.53 -2 8 0 22.72 2.54 1 -8 0 39.43 2.75 1 -8 0 36.74 3.09 1 -8 0 36.09 3.12 1 -8 0 40.33 3.33 1 -8 0 41.76 1.87 -1 8 0 38.27 3.27 -1 8 0 37.82 3.05 -1 8 0 30.33 3.05 -1 8 0 33.19 2.82 0 -8 0 12.78 2.04 0 -8 0 10.87 1.87 0 -8 0 12.77 1.65 0 -8 0 12.02 0.79 0 -8 0 11.69 1.98 0 -8 0 13.03 1.56 0 8 0 12.66 1.70 0 8 0 12.17 1.95 0 8 0 10.68 1.76 -1 -8 0 99.57 4.98 -1 -8 0 94.15 5.13 -1 -8 0 96.45 4.94 -1 -8 0 102.63 5.11 1 8 0 96.91 5.31 1 8 0 98.49 5.02 1 8 0 98.18 4.95 -2 -8 0 74.00 4.37 -2 -8 0 80.79 4.41 -2 -8 0 78.01 4.30 -2 -8 0 74.94 4.09 -2 -8 0 79.76 4.45 2 8 0 77.82 4.19 2 8 0 73.68 4.40 2 8 0 79.98 4.23 2 8 0 74.80 3.64 2 8 0 74.71 4.26 -3 -8 0 106.09 5.39 -3 -8 0 103.94 5.11 -3 -8 0 103.56 4.71 -3 -8 0 98.78 4.92 -3 -8 0 93.68 4.76 3 8 0 93.27 4.62 3 8 0 93.37 4.18 3 8 0 92.32 4.98 3 8 0 94.78 4.94 3 8 0 97.64 4.61 -4 -8 0 49.63 3.01 -4 -8 0 48.69 3.62 -4 -8 0 49.23 3.31 -4 -8 0 48.95 3.24 -4 -8 0 46.16 3.23 4 8 0 51.76 2.99 4 8 0 48.64 3.07 4 8 0 48.96 3.53 4 8 0 48.96 3.26 4 8 0 49.29 3.01 -5 -8 0 16.10 2.13 -5 -8 0 12.23 1.38 -5 -8 0 16.29 1.70 -5 -8 0 12.34 1.24 -5 -8 0 13.31 2.00 -5 -8 0 12.70 1.67 5 8 0 12.80 1.41 5 8 0 12.00 1.45 5 8 0 13.33 1.46 5 8 0 12.64 0.86 5 8 0 12.00 1.62 5 8 0 13.31 1.50 5 8 0 12.30 1.53 -6 -8 0 105.21 5.40 -6 -8 0 114.46 6.02 -6 -8 0 115.97 5.12 -6 -8 0 103.62 4.28 -6 -8 0 109.82 5.15 -6 -8 0 98.34 4.10 6 8 0 108.64 4.47 6 8 0 117.91 3.72 6 8 0 105.47 4.93 6 8 0 99.81 5.56 6 8 0 114.26 4.70 6 8 0 101.05 4.57 6 8 0 106.77 4.91 -7 -8 0 1.10 0.53 -7 -8 0 0.62 0.51 -7 -8 0 0.37 0.40 -7 -8 0 0.98 0.58 -7 -8 0 0.07 0.30 -7 -8 0 1.19 0.71 7 8 0 0.79 0.40 7 8 0 0.21 0.33 7 8 0 0.62 0.29 7 8 0 0.63 0.36 7 8 0 -0.16 0.33 7 8 0 0.41 0.26 7 8 0 -0.61 0.44 -8 -8 0 150.58 4.56 -8 -8 0 148.02 7.09 -8 -8 0 144.12 5.95 -8 -8 0 140.44 6.06 8 8 0 150.31 5.17 8 8 0 136.96 6.78 8 8 0 143.57 6.31 8 8 0 139.14 5.86 8 8 0 136.90 5.14 8 8 0 148.10 5.52 -9 -8 0 -0.34 0.29 -9 -8 0 -0.14 0.46 9 8 0 -0.45 0.37 9 8 0 0.17 0.48 9 8 0 0.87 0.39 9 8 0 1.07 0.59 -10 -8 0 20.66 2.47 -10 -8 0 19.07 2.00 -10 -8 0 23.38 2.05 10 8 0 22.96 1.86 10 8 0 19.09 1.49 10 8 0 20.45 1.50 10 8 0 20.65 2.36 10 8 0 24.61 2.35 -11 -8 0 27.07 2.28 -11 -8 0 25.79 2.28 -11 -8 0 27.39 2.94 11 8 0 23.65 2.25 11 8 0 25.11 2.21 6 -9 0 31.78 2.49 6 -9 0 32.91 3.46 -6 9 0 28.53 3.53 -6 9 0 27.01 3.37 -6 9 0 30.22 3.48 5 -9 0 23.16 1.97 5 -9 0 26.42 1.61 5 -9 0 27.92 3.05 -5 9 0 28.26 3.23 -5 9 0 23.12 3.51 -5 9 0 18.60 2.71 4 -9 0 68.72 4.79 4 -9 0 58.76 4.63 4 -9 0 67.37 3.24 4 -9 0 70.46 4.61 4 -9 0 66.99 3.34 -4 9 0 67.79 5.13 -4 9 0 64.57 4.79 -4 9 0 65.58 5.02 -4 9 0 66.64 4.54 3 -9 0 3.59 0.88 3 -9 0 6.61 0.95 3 -9 0 7.37 1.56 3 -9 0 3.59 1.04 3 -9 0 4.29 1.17 3 -9 0 5.82 1.48 -3 9 0 4.24 1.06 -3 9 0 5.14 1.49 -3 9 0 2.09 1.07 -3 9 0 5.42 1.41 2 -9 0 54.91 3.93 2 -9 0 55.54 3.32 2 -9 0 51.20 3.97 2 -9 0 51.80 3.97 2 -9 0 50.65 2.45 2 -9 0 48.96 3.93 -2 9 0 55.08 4.25 -2 9 0 46.79 3.81 -2 9 0 50.31 3.80 -2 9 0 49.31 4.05 1 -9 0 1.19 0.38 1 -9 0 1.05 0.73 1 -9 0 1.45 0.71 1 -9 0 1.53 0.87 1 -9 0 2.57 0.76 -1 9 0 2.00 0.91 -1 9 0 -0.13 0.48 -1 9 0 0.89 0.71 -1 9 0 0.59 0.72 0 -9 0 164.96 6.77 0 -9 0 159.86 7.10 0 -9 0 147.22 7.00 0 -9 0 158.89 4.34 0 -9 0 151.73 6.88 0 -9 0 143.62 7.08 0 9 0 167.49 7.15 0 9 0 146.21 6.93 -1 -9 0 34.44 3.02 -1 -9 0 32.65 2.80 -1 -9 0 32.99 2.82 -1 -9 0 32.19 2.82 -1 -9 0 30.11 2.69 1 9 0 35.04 2.93 1 9 0 34.12 2.91 1 9 0 29.11 2.90 1 9 0 29.69 2.83 -2 -9 0 0.63 0.53 -2 -9 0 1.95 0.72 -2 -9 0 1.28 0.66 -2 -9 0 1.37 0.78 -2 -9 0 0.69 0.31 2 9 0 1.74 0.72 2 9 0 1.57 0.67 2 9 0 1.24 0.74 2 9 0 1.32 0.68 2 9 0 0.28 0.52 -3 -9 0 85.80 4.76 -3 -9 0 92.14 4.97 -3 -9 0 91.54 5.17 -3 -9 0 95.39 5.11 -3 -9 0 97.61 4.82 3 9 0 87.25 4.62 3 9 0 89.44 4.86 3 9 0 93.63 4.75 3 9 0 87.74 4.97 3 9 0 93.94 4.31 -4 -9 0 29.01 2.65 -4 -9 0 32.70 2.74 -4 -9 0 31.72 3.02 -4 -9 0 32.31 2.50 -4 -9 0 25.33 2.44 4 9 0 26.92 2.34 4 9 0 28.86 2.25 4 9 0 31.77 2.93 4 9 0 27.94 2.61 4 9 0 30.22 2.49 -5 -9 0 147.17 6.44 -5 -9 0 178.89 6.40 -5 -9 0 158.16 6.78 -5 -9 0 156.24 6.92 -5 -9 0 161.91 7.53 5 9 0 152.72 6.57 5 9 0 156.25 4.17 5 9 0 152.76 6.23 5 9 0 158.18 6.25 5 9 0 158.76 7.27 5 9 0 146.13 6.05 -6 -9 0 0.47 0.37 -6 -9 0 0.25 0.56 -6 -9 0 0.19 0.34 -6 -9 0 0.42 0.43 -6 -9 0 1.02 0.30 6 9 0 1.55 0.51 6 9 0 0.90 0.27 6 9 0 0.43 0.52 6 9 0 -0.03 0.36 6 9 0 0.85 0.59 6 9 0 0.63 0.49 -7 -9 0 8.30 1.85 -7 -9 0 5.78 1.23 -7 -9 0 6.83 1.43 -7 -9 0 7.29 1.08 -7 -9 0 7.23 1.31 7 9 0 7.38 1.47 7 9 0 5.08 1.07 7 9 0 6.52 1.29 7 9 0 8.47 0.87 7 9 0 5.39 1.45 7 9 0 6.90 1.27 7 9 0 6.15 1.05 -8 -9 0 4.05 0.91 -8 -9 0 3.39 0.68 -8 -9 0 5.64 1.34 -8 -9 0 3.80 1.26 8 9 0 4.18 1.06 8 9 0 2.78 0.69 8 9 0 3.86 0.79 8 9 0 2.23 0.75 -9 -9 0 50.29 3.33 -9 -9 0 49.55 4.01 -9 -9 0 53.47 3.38 9 9 0 52.40 3.33 9 9 0 46.52 2.68 9 9 0 52.49 3.67 9 9 0 49.44 2.85 9 9 0 48.22 2.64 -10 -9 0 31.33 2.57 -10 -9 0 29.22 2.58 -10 -9 0 32.70 3.10 10 9 0 25.12 1.83 10 9 0 30.85 2.84 10 9 0 29.29 1.92 10 9 0 32.49 2.69 10 9 0 28.12 2.11 -11 -9 0 0.21 0.42 -11 -9 0 -0.77 0.53 11 9 0 0.42 0.45 11 9 0 -0.33 0.42 6 -10 0 2.05 1.04 6 -10 0 2.68 0.85 -6 10 0 0.59 0.68 -6 10 0 -0.26 0.81 5 -10 0 5.25 0.85 5 -10 0 5.84 1.29 5 -10 0 5.58 1.19 -5 10 0 4.59 1.47 -5 10 0 6.60 1.84 4 -10 0 1.89 1.00 4 -10 0 1.77 0.65 4 -10 0 3.26 0.82 -4 10 0 3.76 1.21 -4 10 0 3.37 1.36 -4 10 0 2.31 1.26 3 -10 0 148.55 7.68 3 -10 0 153.74 5.39 3 -10 0 157.26 7.82 3 -10 0 160.19 6.17 3 -10 0 146.52 7.29 -3 10 0 157.93 8.09 -3 10 0 144.04 7.58 -3 10 0 158.72 8.32 -3 10 0 150.06 7.47 2 -10 0 7.12 1.32 2 -10 0 5.06 1.45 2 -10 0 6.90 1.59 2 -10 0 6.74 1.39 2 -10 0 8.21 1.66 -2 10 0 6.07 1.28 -2 10 0 4.55 1.13 -2 10 0 8.42 1.92 -2 10 0 11.68 2.23 1 -10 0 21.37 2.72 1 -10 0 23.36 2.78 1 -10 0 25.05 2.74 1 -10 0 18.80 1.29 1 -10 0 25.94 2.78 1 -10 0 26.94 2.49 -1 10 0 23.94 2.90 -1 10 0 22.39 2.63 -1 10 0 24.59 2.79 -1 10 0 25.03 2.81 0 -10 0 39.20 3.39 0 -10 0 41.75 1.66 0 -10 0 38.81 3.39 0 -10 0 42.84 3.23 0 -10 0 45.49 3.81 0 -10 0 40.70 3.34 0 10 0 39.16 3.35 0 10 0 39.06 3.36 0 10 0 39.69 3.70 0 10 0 36.80 3.31 -1 -10 0 41.09 3.48 -1 -10 0 34.14 3.03 -1 -10 0 38.55 3.21 -1 -10 0 34.18 3.08 -1 -10 0 35.78 3.30 1 10 0 30.09 2.92 1 10 0 42.86 3.45 1 10 0 37.82 3.30 1 10 0 41.64 3.61 -2 -10 0 87.71 5.08 -2 -10 0 81.03 4.98 -2 -10 0 96.26 5.45 -2 -10 0 91.39 5.01 -2 -10 0 89.22 5.25 2 10 0 90.07 5.08 2 10 0 84.01 5.26 2 10 0 84.02 4.28 2 10 0 93.23 5.09 2 10 0 90.86 5.14 -3 -10 0 11.90 1.93 -3 -10 0 6.69 1.40 -3 -10 0 10.47 1.92 -3 -10 0 4.80 1.07 -3 -10 0 7.80 1.45 3 10 0 7.34 1.33 3 10 0 7.99 1.51 3 10 0 7.81 1.57 3 10 0 10.63 1.43 3 10 0 13.50 2.29 -4 -10 0 4.78 1.01 -4 -10 0 5.86 1.21 -4 -10 0 7.48 1.59 -4 -10 0 9.23 1.71 -4 -10 0 5.16 1.17 4 10 0 8.78 1.69 4 10 0 7.56 1.39 4 10 0 6.69 1.26 -5 -10 0 8.80 1.61 -5 -10 0 9.07 1.74 -5 -10 0 8.88 1.51 -5 -10 0 9.68 1.79 -5 -10 0 7.31 1.68 5 10 0 10.21 1.85 5 10 0 7.52 1.40 5 10 0 6.46 1.22 5 10 0 9.99 1.38 -6 -10 0 148.38 5.93 -6 -10 0 141.08 6.74 -6 -10 0 142.75 6.58 -6 -10 0 146.98 6.49 -6 -10 0 144.63 7.40 6 10 0 147.38 4.09 6 10 0 149.87 6.55 6 10 0 143.43 5.77 6 10 0 141.64 5.96 6 10 0 149.04 6.20 6 10 0 137.92 5.95 -7 -10 0 18.88 2.46 -7 -10 0 23.29 1.94 -7 -10 0 22.00 2.72 -7 -10 0 22.25 2.27 -7 -10 0 19.95 2.25 7 10 0 21.93 1.36 7 10 0 20.70 2.01 7 10 0 23.35 2.25 7 10 0 22.91 2.29 7 10 0 21.33 2.01 7 10 0 19.98 1.90 -8 -10 0 13.84 1.81 -8 -10 0 15.59 1.91 -8 -10 0 11.88 1.28 -8 -10 0 9.21 1.61 -8 -10 0 10.42 2.02 8 10 0 12.93 1.34 8 10 0 12.17 1.12 8 10 0 11.83 2.01 8 10 0 14.67 1.65 8 10 0 10.61 1.43 8 10 0 13.21 1.69 -9 -10 0 2.32 0.84 -9 -10 0 -0.44 0.43 -9 -10 0 -1.38 0.65 -9 -10 0 0.26 0.55 9 10 0 -0.07 0.43 9 10 0 0.54 0.51 9 10 0 0.81 0.48 9 10 0 0.75 0.44 9 10 0 0.13 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24.78 2.62 0 -11 0 25.95 1.23 0 -11 0 25.28 2.74 0 -11 0 29.96 2.98 0 11 0 27.00 2.91 0 11 0 26.96 3.09 0 11 0 22.59 2.74 0 11 0 19.39 2.58 -1 -11 0 0.37 0.43 -1 -11 0 0.21 0.52 -1 -11 0 1.52 0.56 -1 -11 0 -0.03 0.45 1 11 0 1.42 0.87 1 11 0 0.48 0.40 1 11 0 0.73 0.62 1 11 0 1.08 0.49 -2 -11 0 7.96 1.76 -2 -11 0 7.00 1.72 -2 -11 0 9.21 1.86 -2 -11 0 3.24 1.04 -2 -11 0 5.55 1.37 2 11 0 5.03 1.40 2 11 0 4.93 1.34 2 11 0 3.16 0.98 2 11 0 5.25 1.38 2 11 0 5.92 1.26 -3 -11 0 135.93 6.45 -3 -11 0 139.95 7.08 -3 -11 0 131.06 6.54 -3 -11 0 134.45 6.73 -3 -11 0 130.92 6.80 3 11 0 138.55 7.00 3 11 0 140.41 6.68 3 11 0 133.11 6.48 3 11 0 141.09 5.88 3 11 0 133.47 6.40 -4 -11 0 2.31 0.81 -4 -11 0 0.18 0.46 -4 -11 0 1.83 0.81 -4 -11 0 0.50 0.61 -4 -11 0 0.52 0.48 4 11 0 0.59 0.61 4 11 0 0.96 0.49 4 11 0 0.33 0.25 4 11 0 2.11 0.88 -5 -11 0 16.99 2.17 -5 -11 0 19.30 2.26 -5 -11 0 19.28 2.07 -5 -11 0 15.23 2.67 -5 -11 0 20.16 2.37 5 11 0 18.24 1.96 5 11 0 20.15 2.14 5 11 0 16.98 2.18 5 11 0 18.03 2.11 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3.04 3 -12 0 70.32 5.20 3 -12 0 70.34 3.99 -3 12 0 59.97 5.00 -3 12 0 72.84 5.67 2 -12 0 8.15 0.95 2 -12 0 9.57 1.96 2 -12 0 6.75 1.74 2 -12 0 9.49 1.66 -2 12 0 5.61 1.55 -2 12 0 7.65 1.83 1 -12 0 3.88 1.28 1 -12 0 3.62 0.63 1 -12 0 3.93 1.45 1 -12 0 2.92 1.24 1 -12 0 1.74 0.92 -1 12 0 2.67 1.36 -1 12 0 1.45 1.03 0 -12 0 26.48 3.09 0 -12 0 24.99 2.86 0 -12 0 29.37 1.26 0 -12 0 34.82 3.43 0 -12 0 28.55 3.00 0 -12 0 30.27 2.92 0 12 0 31.83 3.52 0 12 0 31.94 3.27 0 12 0 32.49 4.14 -1 -12 0 22.84 2.77 -1 -12 0 27.16 2.92 -1 -12 0 27.01 2.80 -1 -12 0 27.96 2.86 -1 -12 0 23.59 2.58 1 12 0 29.64 3.32 1 12 0 20.69 2.67 1 12 0 27.67 2.99 1 12 0 21.43 2.77 -2 -12 0 88.52 5.50 -2 -12 0 87.90 5.49 -2 -12 0 88.24 5.61 -2 -12 0 89.54 5.74 -2 -12 0 96.04 5.54 2 12 0 95.92 5.63 2 12 0 97.40 4.83 2 12 0 93.29 5.87 2 12 0 97.11 5.55 2 12 0 87.34 5.35 -3 -12 0 1.32 0.94 -3 -12 0 1.92 0.99 -3 -12 0 0.48 0.52 -3 -12 0 0.97 0.51 -3 -12 0 1.89 0.92 3 12 0 1.57 0.89 3 12 0 1.72 0.68 3 12 0 0.94 0.63 3 12 0 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40.86 2.07 2 6 -10 43.41 1.77 2 6 -10 45.59 3.90 -2 -6 10 42.26 3.69 -2 -6 10 40.51 3.73 -2 -6 10 44.45 3.63 -2 -6 10 42.08 3.60 1 6 -10 119.33 3.25 1 6 -10 118.00 6.19 1 6 -10 114.26 6.50 1 6 -10 110.51 4.01 1 6 -10 122.79 6.67 1 6 -10 108.26 5.82 1 6 -10 118.98 5.71 -1 -6 10 117.90 6.37 -1 -6 10 115.04 6.02 -1 -6 10 121.14 6.34 -1 -6 10 110.10 6.24 0 6 -10 1.25 0.60 0 6 -10 2.91 1.13 0 6 -10 0.78 0.76 0 6 -10 0.99 0.50 0 6 -10 1.96 0.54 0 6 -10 2.83 0.98 0 -6 10 0.19 0.70 0 -6 10 1.79 0.90 0 -6 10 1.49 0.72 0 -6 10 1.64 0.91 -1 6 -10 113.09 6.04 -1 6 -10 113.26 5.62 -1 6 -10 124.58 6.90 -1 6 -10 116.25 4.33 -1 6 -10 119.48 3.45 -1 6 -10 121.93 6.79 -1 6 -10 124.09 6.20 1 -6 10 117.79 6.67 1 -6 10 120.22 5.76 1 -6 10 125.66 6.38 1 -6 10 115.81 6.33 -2 6 -10 18.91 1.97 -2 6 -10 21.52 2.78 -2 6 -10 18.43 2.25 -2 6 -10 16.25 2.47 2 -6 10 20.66 2.68 2 -6 10 22.42 2.23 2 -6 10 20.83 2.48 2 -6 10 25.33 2.73 -3 6 -10 108.60 3.92 -3 6 -10 114.31 6.20 -3 6 -10 122.02 6.84 -3 6 -10 136.93 7.55 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10 6.30 1.69 5 5 -10 130.14 6.52 5 5 -10 130.94 7.01 5 5 -10 133.29 5.12 5 5 -10 126.50 6.64 -5 -5 10 119.56 6.62 -5 -5 10 126.21 6.72 -5 -5 10 140.16 7.07 -5 -5 10 128.42 4.80 -5 -5 10 125.20 6.65 4 5 -10 27.46 2.80 4 5 -10 24.90 2.91 4 5 -10 28.65 3.04 4 5 -10 29.82 2.28 -4 -5 10 27.53 2.91 -4 -5 10 29.88 3.03 -4 -5 10 27.83 3.00 -4 -5 10 25.73 1.69 -4 -5 10 33.09 2.87 3 5 -10 0.34 0.61 3 5 -10 0.67 0.60 3 5 -10 0.16 0.49 3 5 -10 0.46 0.30 -3 -5 10 0.14 0.67 -3 -5 10 0.98 0.87 -3 -5 10 1.25 0.70 -3 -5 10 -0.06 0.38 2 5 -10 42.48 3.63 2 5 -10 39.46 3.29 2 5 -10 40.64 2.96 2 5 -10 41.96 3.38 -2 -5 10 39.20 3.47 -2 -5 10 41.20 3.61 -2 -5 10 39.93 3.35 -2 -5 10 45.57 3.59 1 5 -10 2.50 0.84 1 5 -10 3.95 0.74 1 5 -10 2.00 0.89 1 5 -10 3.31 1.03 1 5 -10 2.50 1.07 1 5 -10 3.11 1.13 -1 -5 10 3.01 0.91 -1 -5 10 1.76 0.69 -1 -5 10 1.75 0.65 -1 -5 10 4.71 1.42 0 5 -10 157.06 5.15 0 5 -10 154.38 6.78 0 5 -10 158.50 7.65 0 5 -10 156.50 7.51 0 5 -10 148.97 6.69 0 5 -10 152.43 7.09 0 -5 10 151.55 7.31 0 -5 10 150.32 7.44 0 -5 10 160.07 7.23 0 -5 10 153.39 6.85 -1 5 -10 4.25 1.02 -1 5 -10 6.15 0.98 -1 5 -10 5.09 1.33 -1 5 -10 5.29 1.25 -1 5 -10 3.14 0.99 -1 5 -10 3.82 0.89 1 -5 10 5.33 1.33 1 -5 10 3.47 1.01 1 -5 10 5.99 1.42 1 -5 10 5.49 1.25 -2 5 -10 0.96 0.68 -2 5 -10 1.43 0.69 -2 5 -10 0.93 0.59 -2 5 -10 0.17 0.60 -2 5 -10 0.99 0.29 -2 5 -10 0.55 0.47 2 -5 10 0.44 0.58 2 -5 10 1.40 0.58 2 -5 10 0.74 0.54 2 -5 10 0.47 0.84 -3 5 -10 46.84 3.76 -3 5 -10 57.03 4.38 -3 5 -10 55.79 3.24 -3 5 -10 52.06 2.26 -3 5 -10 48.68 3.69 -3 5 -10 50.09 4.32 3 -5 10 52.72 2.90 3 -5 10 52.80 3.89 3 -5 10 51.82 3.73 3 -5 10 53.01 4.31 -4 5 -10 58.33 4.79 -4 5 -10 51.99 3.88 -4 5 -10 55.72 2.64 -4 5 -10 60.45 4.50 -4 5 -10 56.63 3.13 -4 5 -10 57.33 4.26 4 -5 10 55.63 3.15 4 -5 10 69.18 4.26 4 -5 10 55.42 4.07 4 -5 10 66.07 5.09 4 -5 10 60.92 3.64 -5 5 -10 61.85 4.37 -5 5 -10 67.96 5.29 -5 5 -10 60.42 2.87 -5 5 -10 60.83 4.57 5 -5 10 65.43 3.56 5 -5 10 66.21 3.89 -6 5 -10 0.17 0.45 -6 5 -10 -0.78 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-0.65 0.45 -5 -4 10 1.02 0.64 4 4 -10 59.28 4.06 4 4 -10 48.66 4.02 4 4 -10 58.41 4.19 -4 -4 10 59.24 2.17 -4 -4 10 58.08 4.24 -4 -4 10 57.33 2.64 -4 -4 10 57.43 4.24 -4 -4 10 58.12 4.11 -4 -4 10 59.62 4.31 3 4 -10 278.08 10.76 3 4 -10 282.13 10.33 3 4 -10 265.90 10.01 -3 -4 10 258.35 10.15 -3 -4 10 261.84 10.18 -3 -4 10 272.17 10.22 -3 -4 10 267.57 7.27 -3 -4 10 261.75 10.38 2 4 -10 0.60 0.47 2 4 -10 1.23 0.74 2 4 -10 2.61 1.04 -2 -4 10 0.32 0.40 -2 -4 10 0.17 0.36 -2 -4 10 0.19 0.65 1 4 -10 6.91 1.45 1 4 -10 7.40 0.90 1 4 -10 7.48 1.49 1 4 -10 6.22 1.33 1 4 -10 9.56 1.74 -1 -4 10 5.59 1.26 -1 -4 10 6.35 1.39 -1 -4 10 8.18 1.75 -1 -4 10 4.73 1.15 0 4 -10 4.32 0.79 0 4 -10 5.70 1.29 0 4 -10 5.00 1.20 0 -4 10 2.77 0.96 0 -4 10 3.71 1.15 0 -4 10 4.29 1.14 0 -4 10 2.53 0.83 -1 4 -10 243.73 9.84 -1 4 -10 251.71 9.90 -1 4 -10 251.21 9.39 -1 4 -10 248.42 8.90 -1 4 -10 242.10 7.44 1 -4 10 256.78 10.05 1 -4 10 247.24 9.63 1 -4 10 253.41 8.99 -2 4 -10 80.49 5.03 -2 4 -10 75.21 2.42 -2 4 -10 80.08 4.69 -2 4 -10 80.52 5.15 -2 4 -10 75.89 4.12 2 -4 10 86.48 4.34 2 -4 10 78.76 5.08 2 -4 10 80.60 4.61 2 -4 10 83.21 4.81 -3 4 -10 27.58 2.68 -3 4 -10 31.79 3.06 -3 4 -10 27.44 2.22 -3 4 -10 29.66 2.73 -3 4 -10 27.75 3.04 -3 4 -10 27.01 1.48 3 -4 10 30.71 2.77 3 -4 10 27.08 2.23 3 -4 10 30.00 2.19 3 -4 10 25.38 2.93 3 -4 10 30.57 2.58 3 -4 10 28.71 2.07 -4 4 -10 -0.05 0.34 -4 4 -10 0.20 0.26 -4 4 -10 0.04 0.29 -4 4 -10 -0.53 0.46 -4 4 -10 0.01 0.36 4 -4 10 -0.50 0.32 4 -4 10 -0.41 0.48 4 -4 10 -0.02 0.24 4 -4 10 0.14 0.30 4 -4 10 0.08 0.56 -5 4 -10 2.80 0.71 -5 4 -10 2.41 0.65 -5 4 -10 1.79 1.00 -5 4 -10 1.96 1.07 -5 4 -10 1.07 0.84 -5 4 -10 1.41 0.74 5 -4 10 2.22 0.70 5 -4 10 1.34 1.05 5 -4 10 2.39 0.73 5 -4 10 2.18 0.88 5 -4 10 2.94 0.82 5 -4 10 1.84 0.74 -6 4 -10 115.83 7.17 -6 4 -10 119.75 6.46 -6 4 -10 104.21 5.78 6 -4 10 116.05 5.44 6 -4 10 110.99 5.79 6 -4 10 123.81 5.61 6 -4 10 120.66 5.69 6 -4 10 128.32 5.43 -7 4 -10 1.79 0.78 -7 4 -10 -0.88 0.70 7 -4 10 1.72 0.60 7 -4 10 1.01 0.56 7 -4 10 0.60 0.51 7 -4 10 1.63 0.58 -8 4 -10 13.85 2.28 -8 4 -10 13.45 2.67 8 -4 10 13.51 1.77 8 -4 10 15.24 1.93 8 -4 10 12.99 1.75 8 -4 10 13.37 1.77 10 3 -10 -0.30 0.28 10 3 -10 -1.05 0.68 -10 -3 10 -0.42 0.46 -10 -3 10 0.32 1.03 -10 -3 10 0.33 0.36 -10 -3 10 0.71 0.38 9 3 -10 24.31 2.16 9 3 -10 24.83 2.79 -9 -3 10 30.02 3.25 -9 -3 10 18.67 1.71 -9 -3 10 17.91 2.85 -9 -3 10 20.01 2.59 8 3 -10 1.10 0.87 8 3 -10 -0.05 0.55 8 3 -10 1.86 0.63 -8 -3 10 1.04 0.58 -8 -3 10 1.31 0.83 -8 -3 10 -0.84 0.90 7 3 -10 52.72 4.01 7 3 -10 48.74 3.74 7 3 -10 49.89 4.05 7 3 -10 50.81 3.05 -7 -3 10 46.84 4.08 -7 -3 10 49.74 3.97 -7 -3 10 49.96 3.97 6 3 -10 87.08 3.49 6 3 -10 86.18 5.19 6 3 -10 84.32 5.30 6 3 -10 81.84 3.99 6 3 -10 86.65 5.09 -6 -3 10 79.35 5.26 -6 -3 10 90.93 5.39 -6 -3 10 87.05 5.28 5 3 -10 32.14 3.11 5 3 -10 33.06 3.07 5 3 -10 29.74 2.75 -5 -3 10 35.05 3.29 -5 -3 10 30.92 2.12 -5 -3 10 30.39 3.02 -5 -3 10 33.66 3.08 -5 -3 10 33.49 3.05 4 3 -10 27.48 2.69 4 3 -10 33.49 3.15 4 3 -10 28.70 2.79 -4 -3 10 30.87 1.89 -4 -3 10 30.21 2.93 -4 -3 10 30.36 1.23 -4 -3 10 28.78 2.91 -4 -3 10 32.40 2.97 -4 -3 10 28.68 2.74 3 3 -10 -0.36 0.38 3 3 -10 -0.48 0.23 3 3 -10 -0.74 0.31 -3 -3 10 -0.46 0.22 -3 -3 10 -0.31 0.28 -3 -3 10 -0.10 0.22 -3 -3 10 -0.06 0.37 -3 -3 10 0.01 0.16 2 3 -10 263.33 10.13 2 3 -10 270.86 9.72 2 3 -10 253.26 9.47 -2 -3 10 264.01 7.14 -2 -3 10 250.27 9.75 -2 -3 10 256.62 6.50 -2 -3 10 248.73 9.46 -2 -3 10 235.89 9.35 -2 -3 10 253.27 9.58 1 3 -10 7.19 1.59 1 3 -10 9.29 1.72 1 3 -10 7.03 1.51 1 3 -10 4.92 1.05 -1 -3 10 5.77 1.16 -1 -3 10 6.59 1.38 -1 -3 10 7.16 0.89 -1 -3 10 5.68 1.28 -1 -3 10 5.17 1.24 0 3 -10 84.56 4.58 0 3 -10 84.74 4.87 0 3 -10 85.10 3.45 0 3 -10 85.34 4.74 0 -3 10 87.80 4.99 0 -3 10 83.43 4.62 0 -3 10 84.91 4.60 0 -3 10 80.36 3.50 0 -3 10 89.90 4.99 -1 3 -10 11.52 1.20 -1 3 -10 12.43 1.66 -1 3 -10 10.27 1.62 -1 3 -10 10.55 1.96 -1 3 -10 13.34 1.79 1 -3 10 8.46 1.44 1 -3 10 7.30 1.38 1 -3 10 14.32 1.63 1 -3 10 10.43 1.65 1 -3 10 11.25 1.23 -2 3 -10 51.57 3.54 -2 3 -10 60.72 4.03 -2 3 -10 51.68 3.84 2 -3 10 52.74 3.24 2 -3 10 52.60 3.94 2 -3 10 53.01 3.68 2 -3 10 49.31 3.36 2 -3 10 51.99 2.93 -3 3 -10 150.62 6.99 -3 3 -10 152.43 6.56 -3 3 -10 151.02 7.29 -3 3 -10 140.65 4.31 -3 3 -10 144.83 5.75 3 -3 10 144.92 6.49 3 -3 10 145.15 6.28 3 -3 10 144.21 5.42 3 -3 10 147.58 7.17 3 -3 10 150.27 5.79 -4 3 -10 49.06 2.81 -4 3 -10 51.74 4.17 -4 3 -10 51.95 3.83 -4 3 -10 47.30 2.30 -4 3 -10 53.55 3.56 4 -3 10 52.51 3.38 4 -3 10 49.08 4.05 4 -3 10 49.67 3.54 4 -3 10 52.57 3.16 4 -3 10 48.64 2.92 -5 3 -10 49.51 4.25 -5 3 -10 41.84 2.40 -5 3 -10 45.19 3.59 -5 3 -10 50.46 3.79 -5 3 -10 49.22 2.47 -5 3 -10 45.53 3.36 5 -3 10 48.15 3.20 5 -3 10 44.34 3.09 5 -3 10 46.67 3.08 5 -3 10 45.82 2.91 5 -3 10 48.25 3.37 5 -3 10 45.51 3.96 -6 3 -10 5.00 1.36 -6 3 -10 2.66 1.05 -6 3 -10 3.71 1.31 -6 3 -10 5.19 1.40 6 -3 10 3.39 0.90 6 -3 10 4.68 0.94 6 -3 10 4.57 1.06 6 -3 10 4.68 1.41 6 -3 10 4.70 1.04 6 -3 10 4.36 0.99 -7 3 -10 34.13 2.99 -7 3 -10 38.40 3.34 -7 3 -10 39.54 4.03 7 -3 10 43.88 3.05 7 -3 10 40.26 3.09 7 -3 10 41.30 3.01 7 -3 10 39.12 2.95 7 -3 10 38.18 2.80 -8 3 -10 11.74 2.01 -8 3 -10 9.22 1.58 -8 3 -10 7.83 1.87 8 -3 10 9.34 1.62 8 -3 10 8.50 1.47 8 -3 10 9.00 1.38 8 -3 10 10.73 1.83 10 2 -10 9.55 1.79 -10 -2 10 12.76 2.26 -10 -2 10 8.03 1.52 -10 -2 10 9.31 0.94 -10 -2 10 12.04 2.03 9 2 -10 9.24 1.47 9 2 -10 7.22 1.58 9 2 -10 4.47 1.29 -9 -2 10 8.91 1.85 -9 -2 10 6.24 1.79 -9 -2 10 8.45 1.89 -9 -2 10 6.44 0.94 8 2 -10 86.86 4.21 8 2 -10 98.20 5.80 8 2 -10 86.09 5.19 -8 -2 10 92.80 5.69 -8 -2 10 79.41 5.53 -8 -2 10 95.96 5.57 7 2 -10 21.92 2.70 7 2 -10 19.24 2.49 7 2 -10 25.45 2.71 7 2 -10 26.53 2.07 -7 -2 10 28.01 2.90 -7 -2 10 23.08 2.81 -7 -2 10 29.04 2.90 6 2 -10 1.30 0.73 6 2 -10 1.15 0.62 6 2 -10 1.20 0.43 6 2 -10 0.07 0.38 -6 -2 10 0.42 0.47 -6 -2 10 0.89 0.75 5 2 -10 53.70 4.05 5 2 -10 55.88 4.01 5 2 -10 56.16 2.90 5 2 -10 50.16 3.77 5 2 -10 54.68 2.96 -5 -2 10 54.85 4.04 -5 -2 10 52.67 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54.87 3.78 -4 -4 -21 10.60 1.93 -4 -4 -21 10.10 1.72 4 4 21 15.01 1.81 4 4 21 13.12 1.10 4 4 21 14.85 1.71 4 4 21 11.55 1.52 4 4 21 15.84 2.12 -5 -4 -21 15.44 2.03 -5 -4 -21 14.68 1.81 -5 -4 -21 13.50 1.73 5 4 21 16.93 2.22 5 4 21 16.01 1.18 5 4 21 10.37 1.68 5 4 21 12.42 1.60 5 4 21 16.66 1.99 3 -5 -21 9.48 1.91 3 -5 -21 12.27 0.77 3 -5 -21 9.53 1.84 -3 5 21 15.12 2.72 -3 5 21 12.88 1.32 -3 5 21 10.63 1.79 2 -5 -21 6.69 0.65 2 -5 -21 3.59 1.29 2 -5 -21 8.32 2.10 -2 5 21 6.06 1.36 -2 5 21 7.45 1.25 -2 5 21 8.43 1.93 1 -5 -21 -1.38 0.87 1 -5 -21 -0.47 0.23 1 -5 -21 0.80 1.06 1 -5 -21 0.32 0.77 -1 5 21 -0.08 0.57 -1 5 21 -0.01 0.55 -1 5 21 0.62 0.49 0 -5 -21 64.63 5.00 0 -5 -21 55.97 4.68 0 -5 -21 50.19 2.20 0 -5 -21 52.57 4.29 0 5 21 56.71 3.24 0 5 21 57.78 3.01 0 5 21 55.92 4.30 0 5 21 55.88 3.62 -1 -5 -21 2.05 1.06 -1 -5 -21 2.82 1.18 -1 -5 -21 2.65 0.61 -1 -5 -21 3.92 1.39 1 5 21 4.38 1.15 1 5 21 3.13 1.01 1 5 21 3.97 0.87 -2 -5 -21 27.50 3.16 -2 -5 -21 40.24 3.69 -2 -5 -21 39.76 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21 3.92 1.17 1 6 21 4.27 0.80 1 6 21 4.59 1.03 1 6 21 5.50 1.26 -2 -6 -21 9.41 1.86 -2 -6 -21 9.02 1.09 -2 -6 -21 10.61 2.20 -2 -6 -21 10.31 1.89 2 6 21 10.58 1.11 2 6 21 14.81 1.95 2 6 21 13.90 1.66 2 6 21 13.70 2.08 2 6 21 13.11 1.37 -3 -6 -21 45.31 3.72 -3 -6 -21 48.56 4.45 -3 -6 -21 47.92 3.85 3 6 21 51.81 2.74 3 6 21 47.20 3.39 3 6 21 43.04 3.09 3 6 21 49.48 3.62 -4 -6 -21 48.12 4.51 -4 -6 -21 39.42 3.21 -4 -6 -21 43.70 3.62 4 6 21 49.52 3.73 4 6 21 47.33 3.16 4 6 21 49.88 2.67 4 6 21 46.34 3.23 -5 -6 -21 -0.01 0.67 -5 -6 -21 0.40 0.82 -5 -6 -21 0.27 0.67 5 6 21 0.11 0.51 5 6 21 1.72 0.66 5 6 21 2.06 0.83 5 6 21 1.26 0.76 5 6 21 1.37 0.56 2 -7 -21 -0.08 0.69 2 -7 -21 -0.01 0.64 -2 7 21 0.59 0.78 -2 7 21 -0.73 0.51 -2 7 21 0.03 0.33 1 -7 -21 1.16 0.81 1 -7 -21 -0.60 0.51 -1 7 21 -0.69 0.53 -1 7 21 0.44 0.48 0 -7 -21 99.30 6.39 0 -7 -21 98.18 6.32 0 -7 -21 95.34 6.02 0 7 21 99.10 4.93 0 7 21 108.56 6.10 0 7 21 91.18 3.52 -1 -7 -21 36.16 3.65 -1 -7 -21 28.15 3.29 -1 -7 -21 41.07 4.01 1 7 21 31.63 3.03 1 7 21 33.06 2.43 1 7 21 37.33 2.93 -2 -7 -21 3.95 1.21 -2 -7 -21 4.32 1.41 -2 -7 -21 2.16 1.19 -2 -7 -21 5.18 0.68 2 7 21 7.39 1.58 2 7 21 5.17 1.23 -3 -7 -21 3.62 0.61 -3 -7 -21 2.38 0.98 -3 -7 -21 3.41 1.37 -3 -7 -21 4.17 1.11 3 7 21 3.25 0.98 3 7 21 3.19 1.14 3 7 21 3.00 0.84 3 7 21 2.96 0.92 -4 -7 -21 10.67 2.10 -4 -7 -21 10.11 1.78 -4 -7 -21 9.80 1.90 4 7 21 15.30 1.84 4 7 21 9.73 1.90 4 7 21 12.88 1.61 4 7 21 11.42 1.36 -5 -7 -21 87.17 4.96 -5 -7 -21 74.84 4.56 -5 -7 -21 87.08 6.30 5 7 21 83.78 4.05 5 7 21 85.50 5.10 5 7 21 80.33 4.15 5 7 21 85.09 3.99 5 7 21 84.74 4.66 1 -8 -21 21.63 2.96 1 -8 -21 27.76 3.29 -1 8 21 23.57 1.65 -1 8 21 22.16 1.66 -1 8 21 21.78 2.90 -1 8 21 22.13 2.10 0 -8 -21 1.17 0.71 0 -8 -21 -0.79 1.03 0 -8 -21 2.47 1.00 0 8 21 1.71 0.86 0 8 21 2.04 0.73 -1 -8 -21 27.30 3.29 -1 -8 -21 28.12 3.27 1 8 21 22.51 2.09 1 8 21 22.90 2.27 1 8 21 23.33 2.67 -2 -8 -21 71.09 5.01 -2 -8 -21 88.86 6.08 -2 -8 -21 80.33 5.32 2 8 21 80.26 4.59 2 8 21 79.09 4.07 2 8 21 78.57 4.80 -3 -8 -21 2.93 0.59 -3 -8 -21 2.11 0.98 -3 -8 -21 4.63 1.31 -3 -8 -21 2.81 1.33 3 8 21 3.99 1.07 3 8 21 5.57 1.22 -4 -8 -21 20.41 3.29 -4 -8 -21 20.66 2.40 -4 -8 -21 14.24 2.30 4 8 21 24.90 2.64 4 8 21 23.61 2.33 4 8 21 21.65 2.00 4 8 21 18.40 2.09 -5 -8 -21 0.98 1.11 -5 -8 -21 -0.02 0.66 -5 -8 -21 0.32 0.71 5 8 21 0.24 0.78 5 8 21 -0.22 0.44 5 8 21 0.46 0.74 5 8 21 1.28 0.61 5 8 21 1.17 0.73 1 -9 -21 14.63 2.63 1 -9 -21 15.37 2.89 -1 9 21 18.34 1.84 0 -9 -21 46.15 4.19 0 -9 -21 32.71 3.68 0 -9 -21 37.31 3.89 0 9 21 38.16 2.87 -1 -9 -21 32.42 3.66 -1 -9 -21 29.18 3.07 -1 -9 -21 30.59 3.43 1 9 21 32.73 2.71 -2 -9 -21 0.48 0.60 2 9 21 0.30 0.33 2 9 21 -0.20 0.32 2 9 21 -0.47 0.56 -3 -9 -21 50.67 4.55 -3 -9 -21 39.39 3.57 -3 -9 -21 52.07 3.93 3 9 21 48.18 3.59 3 9 21 42.73 3.45 3 9 21 49.26 3.14 -4 -9 -21 0.55 0.51 -4 -9 -21 -0.41 0.45 4 9 21 -0.13 0.48 4 9 21 -0.21 0.52 -5 -9 -21 59.41 5.03 -5 -9 -21 61.91 3.96 -5 -9 -21 50.73 3.76 5 9 21 60.65 4.23 5 9 21 60.68 3.37 5 9 21 59.58 3.51 5 9 21 52.84 3.24 -1 -10 -21 5.51 1.60 -1 -10 -21 7.75 1.88 -1 -10 -21 6.19 1.58 1 10 21 8.67 1.53 1 10 21 9.61 2.04 -2 -10 -21 68.56 4.83 -2 -10 -21 49.16 4.46 -2 -10 -21 65.56 5.14 2 10 21 61.44 3.79 2 10 21 62.85 4.01 2 10 21 58.82 4.34 -3 -10 -21 1.34 1.00 -3 -10 -21 1.86 1.12 -3 -10 -21 0.38 1.07 3 10 21 1.06 0.75 3 10 21 1.04 0.73 3 10 21 1.48 0.69 -4 -10 -21 0.60 0.50 4 10 21 -0.08 0.36 4 10 21 -0.30 0.49 4 10 21 -0.04 0.44 0 0 -22 4.54 1.34 0 0 22 4.79 1.13 0 0 22 4.45 1.31 1 -1 -22 1.71 0.99 -1 1 22 3.00 0.86 -1 1 22 2.93 1.23 -1 1 22 2.41 1.35 -1 1 22 4.69 0.97 0 -1 -22 7.79 1.83 0 1 22 3.57 1.56 0 1 22 6.67 1.17 0 1 22 8.41 1.66 0 1 22 8.65 1.87 -1 -1 -22 26.04 3.36 -1 -1 -22 34.30 3.77 1 1 22 40.44 3.63 1 1 22 36.77 2.60 1 1 22 30.98 3.16 1 1 22 33.84 3.05 -2 -1 -22 15.16 2.44 2 1 22 21.48 2.59 2 1 22 14.98 2.21 2 1 22 19.96 2.35 2 1 22 20.60 1.97 2 -2 -22 3.95 1.41 2 -2 -22 6.50 2.02 -2 2 22 6.82 1.80 -2 2 22 6.16 1.13 -2 2 22 6.66 0.97 -2 2 22 4.64 1.33 1 -2 -22 52.32 4.75 1 -2 -22 46.68 4.20 -1 2 22 36.81 3.22 -1 2 22 45.91 3.32 -1 2 22 42.11 3.83 -1 2 22 48.35 2.73 0 -2 -22 20.62 3.17 0 -2 -22 29.11 3.32 0 2 22 21.17 2.54 0 2 22 23.48 2.42 0 2 22 24.29 1.98 0 2 22 23.01 2.88 -1 -2 -22 -0.03 0.58 -1 -2 -22 0.13 0.71 1 2 22 -0.46 0.36 1 2 22 -0.22 0.47 1 2 22 -0.15 0.21 1 2 22 -0.89 0.66 -2 -2 -22 10.34 2.20 -2 -2 -22 4.93 1.64 2 2 22 8.33 1.66 2 2 22 9.91 1.83 2 2 22 12.46 1.54 2 2 22 7.22 1.61 -3 -2 -22 -1.73 0.74 -3 -2 -22 -0.51 0.58 3 2 22 0.02 0.32 3 2 22 0.30 0.41 3 2 22 -0.65 0.56 3 2 22 0.27 0.96 2 -3 -22 2.87 1.00 2 -3 -22 2.29 1.29 -2 3 22 3.74 1.34 -2 3 22 2.52 0.97 -2 3 22 1.46 0.98 1 -3 -22 0.02 0.61 1 -3 -22 -0.32 0.57 -1 3 22 -0.34 0.58 -1 3 22 -0.44 0.33 -1 3 22 -0.14 0.30 -1 3 22 -0.22 0.19 -1 3 22 -0.97 0.73 0 -3 -22 14.41 2.51 0 -3 -22 14.95 2.82 0 -3 -22 13.30 2.34 0 3 22 21.13 2.23 0 3 22 15.36 2.21 0 3 22 19.84 1.16 0 3 22 21.19 1.87 0 3 22 18.87 2.92 -1 -3 -22 77.77 5.52 -1 -3 -22 71.78 5.04 1 3 22 82.51 5.15 1 3 22 72.65 3.75 1 3 22 69.65 4.25 1 3 22 73.90 4.47 -2 -3 -22 -0.99 0.72 -2 -3 -22 0.37 0.65 2 3 22 -0.24 0.41 2 3 22 -1.39 0.57 2 3 22 0.20 0.21 -3 -3 -22 4.87 1.33 -3 -3 -22 4.75 1.35 3 3 22 4.90 1.41 3 3 22 3.68 1.25 3 3 22 7.64 1.43 2 -4 -22 44.80 4.17 2 -4 -22 51.23 4.58 -2 4 22 53.04 3.36 -2 4 22 55.28 4.48 -2 4 22 44.01 3.52 1 -4 -22 16.44 2.84 -1 4 22 16.95 2.86 -1 4 22 14.21 1.83 -1 4 22 11.80 1.85 0 -4 -22 24.36 3.40 0 -4 -22 26.08 3.20 0 -4 -22 29.37 3.37 0 4 22 28.11 1.73 0 4 22 29.58 2.23 0 4 22 27.11 3.14 0 4 22 28.15 2.54 -1 -4 -22 0.72 0.88 -1 -4 -22 -0.94 0.77 1 4 22 1.27 0.50 1 4 22 1.09 0.69 1 4 22 0.47 0.36 1 4 22 0.06 0.40 1 4 22 0.85 0.52 -2 -4 -22 21.94 2.99 -2 -4 -22 26.67 3.13 -2 -4 -22 26.62 3.38 2 4 22 27.85 2.26 2 4 22 30.09 2.86 2 4 22 26.39 2.66 2 4 22 24.38 1.39 2 4 22 32.96 2.44 -3 -4 -22 5.91 1.48 -3 -4 -22 3.88 1.14 3 4 22 3.65 1.17 3 4 22 5.59 0.65 3 4 22 5.64 1.19 3 4 22 3.23 1.00 3 4 22 6.15 1.30 -4 -4 -22 43.10 3.61 -4 -4 -22 49.33 3.94 4 4 22 50.06 3.36 4 4 22 46.48 2.02 4 4 22 47.03 3.31 4 4 22 44.78 2.96 4 4 22 55.42 4.03 2 -5 -22 -0.60 0.61 2 -5 -22 0.15 0.55 -2 5 22 -0.38 0.38 -2 5 22 -0.03 0.56 1 -5 -22 26.00 3.27 1 -5 -22 31.92 3.61 -1 5 22 25.49 2.34 -1 5 22 27.17 2.53 -1 5 22 23.53 2.99 0 -5 -22 0.82 0.43 0 -5 -22 0.49 0.67 0 -5 -22 2.60 1.12 0 5 22 1.32 0.58 0 5 22 0.23 0.73 0 5 22 0.90 0.53 0 5 22 1.26 0.82 -1 -5 -22 53.90 4.50 -1 -5 -22 64.51 5.02 -1 -5 -22 61.54 5.14 1 5 22 65.79 4.14 1 5 22 67.76 3.49 1 5 22 66.79 3.04 1 5 22 71.21 4.70 1 5 22 68.57 3.70 -2 -5 -22 0.22 0.81 -2 -5 -22 0.79 0.81 -2 -5 -22 -0.42 0.78 2 5 22 1.19 0.45 2 5 22 0.14 0.47 2 5 22 1.65 0.88 2 5 22 0.26 0.39 -3 -5 -22 -0.30 0.59 3 5 22 -0.72 0.48 3 5 22 -0.19 0.40 3 5 22 -0.13 0.28 3 5 22 -0.88 0.56 3 5 22 -0.08 0.34 -4 -5 -22 7.13 1.59 -4 -5 -22 9.08 2.27 -4 -5 -22 6.39 1.53 4 5 22 8.07 1.44 4 5 22 8.81 1.82 4 5 22 7.49 1.22 4 5 22 7.80 1.40 4 5 22 8.88 0.92 1 -6 -22 2.09 1.08 1 -6 -22 -0.22 0.41 -1 6 22 1.46 1.03 -1 6 22 -0.46 0.43 0 -6 -22 0.78 1.13 0 -6 -22 1.94 0.87 0 -6 -22 5.25 1.54 0 -6 -22 2.21 0.41 0 6 22 3.28 1.24 0 6 22 3.03 0.93 0 6 22 1.96 0.81 0 6 22 3.44 0.86 -1 -6 -22 0.37 0.85 -1 -6 -22 -0.66 0.71 -1 -6 -22 0.29 0.74 1 6 22 0.96 0.71 1 6 22 -0.43 0.36 1 6 22 0.47 0.50 1 6 22 0.16 0.50 -2 -6 -22 45.45 4.07 -2 -6 -22 53.32 4.32 -2 -6 -22 57.43 4.92 2 6 22 51.32 2.42 2 6 22 52.11 3.31 2 6 22 51.62 3.65 2 6 22 52.31 2.79 2 6 22 51.35 3.88 -3 -6 -22 35.01 3.89 -3 -6 -22 34.40 3.35 -3 -6 -22 27.41 3.10 3 6 22 34.10 2.18 3 6 22 30.24 2.89 3 6 22 29.90 2.85 3 6 22 36.44 2.80 -4 -6 -22 16.81 2.24 -4 -6 -22 13.66 2.77 4 6 22 17.46 1.92 4 6 22 10.74 1.85 4 6 22 16.04 1.48 4 6 22 19.07 2.08 1 -7 -22 68.32 5.35 1 -7 -22 72.96 5.56 -1 7 22 73.17 4.05 -1 7 22 69.88 5.09 -1 7 22 70.06 3.33 0 -7 -22 9.39 2.05 0 -7 -22 5.60 1.93 0 -7 -22 11.32 2.49 0 7 22 7.47 0.96 0 7 22 7.19 1.32 0 7 22 8.23 1.51 -1 -7 -22 25.81 3.10 -1 -7 -22 22.31 2.97 -1 -7 -22 28.18 3.39 1 7 22 27.47 2.91 1 7 22 30.45 2.32 1 7 22 26.55 2.48 -2 -7 -22 -1.03 0.73 -2 -7 -22 0.22 0.57 -2 -7 -22 0.01 0.67 2 7 22 0.32 0.49 2 7 22 -0.08 0.38 2 7 22 0.15 0.56 -3 -7 -22 7.72 1.66 -3 -7 -22 8.38 1.78 -3 -7 -22 8.89 1.88 3 7 22 11.12 1.58 3 7 22 11.33 2.00 3 7 22 8.71 1.63 3 7 22 11.05 1.34 -4 -7 -22 37.89 3.23 -4 -7 -22 30.40 3.09 -4 -7 -22 37.29 4.13 4 7 22 39.01 3.00 4 7 22 37.16 2.42 4 7 22 42.50 3.48 4 7 22 37.49 2.83 0 -8 -22 3.15 1.23 0 -8 -22 9.58 2.17 0 -8 -22 4.19 1.32 0 8 22 4.28 1.41 0 8 22 7.70 1.51 -1 -8 -22 37.57 3.71 -1 -8 -22 35.64 3.84 1 8 22 39.22 2.76 1 8 22 34.75 2.92 1 8 22 33.25 3.28 -2 -8 -22 20.35 2.75 -2 -8 -22 16.49 2.67 -2 -8 -22 26.59 3.36 2 8 22 19.68 2.31 2 8 22 20.99 2.30 2 8 22 19.40 1.92 -3 -8 -22 38.04 3.73 -3 -8 -22 44.45 3.82 -3 -8 -22 44.95 4.22 3 8 22 46.85 2.96 3 8 22 48.51 3.61 -4 -8 -22 -1.59 0.57 -4 -8 -22 -0.24 0.92 4 8 22 -0.20 0.47 4 8 22 1.06 0.65 4 8 22 -0.55 0.30 4 8 22 0.59 0.58 -1 -9 -22 -0.02 0.61 -1 -9 -22 -0.17 1.01 -1 -9 -22 0.39 0.64 1 9 22 0.45 0.28 1 9 22 0.31 0.60 -2 -9 -22 4.92 1.52 -2 -9 -22 7.07 1.77 -2 -9 -22 2.78 1.14 2 9 22 6.16 1.47 2 9 22 5.99 1.43 2 9 22 5.38 1.12 -3 -9 -22 5.80 1.82 -3 -9 -22 5.73 1.48 -3 -9 -22 6.24 1.32 3 9 22 3.77 1.04 3 9 22 7.28 1.42 3 9 22 6.87 1.22 -1 -4 -23 7.19 1.89 -1 -4 -23 7.87 2.10 1 4 23 7.37 0.73 1 4 23 6.82 1.44 1 4 23 5.76 1.40 1 4 23 7.31 1.29 1 4 23 6.38 1.27 -1 -5 -23 -0.30 0.76 -1 -5 -23 -0.37 0.65 1 5 23 -0.59 0.38 1 5 23 -0.63 0.54 1 5 23 0.52 0.45 1 5 23 -1.15 0.46 -2 -5 -23 2.18 1.12 -2 -5 -23 3.58 1.20 -2 -5 -23 0.72 1.14 2 5 23 2.45 0.93 2 5 23 1.28 0.66 2 5 23 3.32 0.62 2 5 23 2.86 0.96 2 5 23 1.65 0.93 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 79745 loop_ _space_group_symop_operation_xyz 'x, y, z' '-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_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 Ho1 Ho 0.61240(2) 0.93174(2) 0.21171(2) 0.01775(5) Uani 1 1 d . U . . . Ho2 Ho 0.82442(2) 0.49958(2) 0.30500(2) 0.02516(5) Uani 1 1 d D U . . . O1 O -0.2886(3) 0.9890(2) 0.29590(14) 0.0249(6) Uani 1 1 d . U . . . O2 O -0.1363(3) 0.9042(2) 0.22378(15) 0.0294(6) Uani 1 1 d . U . . . O3 O 0.3772(3) 0.9103(3) 0.21645(16) 0.0343(7) Uani 1 1 d . U . . . O4 O 0.4121(3) 1.0169(2) 0.27475(16) 0.0303(6) Uani 1 1 d . U . . . O5 O 0.4570(4) 0.9793(2) -0.08689(16) 0.0464(9) Uani 1 1 d . U . . . O6 O 0.3893(4) 0.8897(2) -0.14473(16) 0.0442(8) Uani 1 1 d . U . . . O7 O 0.6727(3) 0.6293(2) 0.21697(15) 0.0323(6) Uani 1 1 d . U . . . O8 O 0.6886(3) 0.7924(2) 0.15901(14) 0.0248(6) Uani 1 1 d . U . . . O9 O 0.9637(4) 0.6585(3) 0.65773(17) 0.0520(9) Uani 1 1 d . U . . . O10 O 1.0941(3) 0.5922(2) 0.57270(15) 0.0384(7) Uani 1 1 d . U . . . O11 O 0.8017(4) 0.6349(3) 0.35789(18) 0.0525(9) Uani 1 1 d . U . . . O12 O 0.6312(3) 0.7917(2) 0.31351(14) 0.0262(6) Uani 1 1 d . U . . . O13 O 0.5960(4) 0.5222(3) 0.3633(2) 0.0633(10) Uani 1 1 d . U . . . O14 O 1.0185(4) 0.5596(3) 0.2632(3) 0.0682(11) Uani 1 1 d . U . . . O15A O 0.8871(18) 0.4425(16) 0.1969(8) 0.053(2) Uani 0.392(7) 1 d D U P A 1 O15B O 0.9179(12) 0.4595(10) 0.1932(5) 0.057(2) Uani 0.608(7) 1 d D U P A 2 O16A O 0.7302(14) 0.3717(9) 0.2935(8) 0.065(2) Uani 0.498(7) 1 d D U P A 1 O16B O 0.7609(14) 0.3486(8) 0.3124(8) 0.064(2) Uani 0.502(7) 1 d D U P A 2 O17A O 1.085(3) 0.6939(18) 0.0274(15) 0.123(6) Uani 0.38(3) 1 d D U P B 1 O17B O 1.021(2) 0.6992(11) 0.0432(8) 0.117(4) Uani 0.62(3) 1 d D U P B 2 N1 N 0.0599(4) 0.9917(3) 0.48505(19) 0.0342(8) Uani 1 1 d . U . . . N2 N 0.5152(4) 0.5026(3) 0.03037(18) 0.0293(7) Uani 1 1 d . U . . . N3 N 0.5557(3) 0.9773(3) 0.51919(18) 0.0275(7) Uani 1 1 d . U . . . N4 N 0.3651(4) 0.5871(3) 0.3982(2) 0.0469(10) Uani 1 1 d . U . . . N5 N 1.1757(5) 0.6422(4) 0.2078(3) 0.0550(11) Uani 1 1 d . U . . . N6A N 1.077(2) 0.3715(11) 0.1335(11) 0.078(3) Uani 0.392(7) 1 d D U P A 1 N6B N 1.1080(12) 0.3538(8) 0.1422(7) 0.068(2) Uani 0.608(7) 1 d D U P A 2 N7A N 0.5929(18) 0.2615(13) 0.3159(6) 0.063(2) Uani 0.498(7) 1 d D U P A 1 N7B N 0.6081(16) 0.2677(12) 0.3038(7) 0.061(2) Uani 0.502(7) 1 d D U P A 2 N8A N 0.952(2) 0.8716(17) -0.0273(14) 0.078(3) Uani 0.38(3) 1 d D U P B 1 N8B N 0.9465(15) 0.8676(12) -0.0324(9) 0.076(2) Uani 0.62(3) 1 d D U P B 2 C1 C -0.1622(4) 0.9498(3) 0.2749(2) 0.0228(7) Uani 1 1 d . U . . . C2 C -0.0394(4) 0.9585(3) 0.3107(2) 0.0254(8) Uani 1 1 d . U . . . C3 C -0.0554(4) 0.9730(3) 0.3805(2) 0.0291(8) Uani 1 1 d . U . . . H3 H -0.143860 0.977688 0.405933 0.035 Uiso 1 1 calc R U . . . C4 C 0.0610(4) 0.9805(3) 0.4125(2) 0.0290(8) Uani 1 1 d . U . . . C5 C 0.1879(4) 0.9790(3) 0.3741(2) 0.0276(8) Uani 1 1 d . U . . . H5 H 0.265017 0.986839 0.395693 0.033 Uiso 1 1 calc R U . . . C6 C 0.2022(4) 0.9661(3) 0.3041(2) 0.0256(8) Uani 1 1 d . U . . . C7 C 0.0894(4) 0.9535(3) 0.2731(2) 0.0244(8) Uani 1 1 d . U . . . H7 H 0.100483 0.941625 0.226083 0.029 Uiso 1 1 calc R U . . . C8 C 0.3381(4) 0.9646(3) 0.2623(2) 0.0255(8) Uani 1 1 d . U . . . C9 C 0.4393(4) 0.8938(3) -0.0887(2) 0.0249(8) Uani 1 1 d . U . . . C10 C 0.4833(4) 0.7956(3) -0.0245(2) 0.0232(7) Uani 1 1 d . U . . . C11 C 0.4705(4) 0.6999(3) -0.0285(2) 0.0266(8) Uani 1 1 d . U . . . H11 H 0.427979 0.697597 -0.070190 0.032 Uiso 1 1 calc R U . . . C12 C 0.5203(4) 0.6069(3) 0.0291(2) 0.0254(8) Uani 1 1 d . U . . . C13 C 0.5794(4) 0.6101(3) 0.0911(2) 0.0255(8) Uani 1 1 d . U . . . H13 H 0.612090 0.546479 0.130443 0.031 Uiso 1 1 calc R U . . . C14 C 0.5903(4) 0.7075(3) 0.0951(2) 0.0223(7) Uani 1 1 d . U . . . C15 C 0.5419(4) 0.8004(3) 0.0376(2) 0.0225(7) Uani 1 1 d . U . . . H15 H 0.548510 0.866763 0.040399 0.027 Uiso 1 1 calc R U . . . C16 C 0.6553(4) 0.7096(3) 0.1623(2) 0.0235(8) Uani 1 1 d . U . . . C17 C 0.9816(4) 0.6554(3) 0.5927(2) 0.0303(9) Uani 1 1 d . U . . . C18 C 0.8641(4) 0.7262(3) 0.5381(2) 0.0271(8) Uani 1 1 d . U . . . C19 C 0.8521(4) 0.6965(3) 0.4761(2) 0.0260(8) Uani 1 1 d . U . . . H19 H 0.920831 0.633311 0.467076 0.031 Uiso 1 1 calc R U . . . C20 C 0.7386(4) 0.7599(3) 0.4271(2) 0.0230(7) Uani 1 1 d . U . . . C21 C 0.6392(4) 0.8529(3) 0.4395(2) 0.0233(8) Uani 1 1 d . U . . . H21 H 0.562892 0.896386 0.405718 0.028 Uiso 1 1 calc R U . . . C22 C 0.6520(4) 0.8823(3) 0.5018(2) 0.0246(8) Uani 1 1 d . U . . . C23 C 0.7641(4) 0.8187(3) 0.5512(2) 0.0274(8) Uani 1 1 d . U . . . H23 H 0.772121 0.838641 0.593795 0.033 Uiso 1 1 calc R U . . . C24 C 0.7234(4) 0.7266(3) 0.3610(2) 0.0273(8) Uani 1 1 d . U . . . C25 C 0.4817(5) 0.5975(4) 0.3618(3) 0.0434(11) Uani 1 1 d . U . . . H25 H 0.477863 0.667567 0.332355 0.052 Uiso 1 1 calc R U . . . C26 C 0.2323(6) 0.6775(5) 0.3923(4) 0.0747(19) Uani 1 1 d . U . . . H26A H 0.247923 0.743697 0.361472 0.112 Uiso 1 1 calc R U . . . H26B H 0.201901 0.686087 0.441032 0.112 Uiso 1 1 calc R U . . . H26C H 0.157140 0.663662 0.370524 0.112 Uiso 1 1 calc R U . . . C27 C 0.3598(7) 0.4827(5) 0.4435(4) 0.0761(19) Uani 1 1 d . U . . . H27A H 0.302539 0.456517 0.418768 0.114 Uiso 1 1 calc R U . . . H27B H 0.315453 0.490414 0.490445 0.114 Uiso 1 1 calc R U . . . H27C H 0.457874 0.430882 0.451733 0.114 Uiso 1 1 calc R U . . . C28 C 1.0464(6) 0.6425(5) 0.2307(3) 0.0538(13) Uani 1 1 d . U . . . H28 H 0.970373 0.709797 0.221708 0.065 Uiso 1 1 calc R U . . . C29 C 1.2046(7) 0.7407(5) 0.1664(4) 0.079(2) Uani 1 1 d . U . . . H29A H 1.237015 0.735341 0.117228 0.119 Uiso 1 1 calc R U . . . H29B H 1.279909 0.750104 0.191096 0.119 Uiso 1 1 calc R U . . . H29C H 1.116411 0.802982 0.162918 0.119 Uiso 1 1 calc R U . . . C30 C 1.2952(6) 0.5415(5) 0.2165(4) 0.081(2) Uani 1 1 d . U . . . H30A H 1.268116 0.482437 0.250738 0.122 Uiso 1 1 calc R U . . . H30B H 1.379497 0.548134 0.235401 0.122 Uiso 1 1 calc R U . . . H30C H 1.318507 0.526122 0.169050 0.122 Uiso 1 1 calc R U . . . C31A C 0.9794(13) 0.4527(11) 0.1513(7) 0.061(2) Uani 0.392(7) 1 d D U P A 1 H31A H 0.980836 0.523702 0.127246 0.073 Uiso 0.392(7) 1 calc R U P A 1 C31B C 1.0093(9) 0.3717(8) 0.1903(5) 0.060(2) Uani 0.608(7) 1 d D U P A 2 H31B H 1.005719 0.310143 0.228492 0.072 Uiso 0.608(7) 1 calc R U P A 2 C32A C 1.194(2) 0.3852(18) 0.0835(11) 0.108(5) Uani 0.392(7) 1 d D U P A 1 H32A H 1.154220 0.436667 0.036823 0.162 Uiso 0.392(7) 1 calc R U P A 1 H32B H 1.251863 0.315329 0.075408 0.162 Uiso 0.392(7) 1 calc R U P A 1 H32C H 1.255213 0.412848 0.104544 0.162 Uiso 0.392(7) 1 calc R U P A 1 C32B C 1.1158(18) 0.4421(11) 0.0772(7) 0.114(4) Uani 0.608(7) 1 d D U P A 2 H32D H 1.020468 0.497633 0.067291 0.170 Uiso 0.608(7) 1 calc R U P A 2 H32E H 1.147056 0.413158 0.035084 0.170 Uiso 0.608(7) 1 calc R U P A 2 H32F H 1.184973 0.474234 0.086276 0.170 Uiso 0.608(7) 1 calc R U P A 2 C33A C 1.101(2) 0.2645(13) 0.1851(10) 0.107(5) Uani 0.392(7) 1 d D U P A 1 H33A H 1.175287 0.251199 0.220585 0.160 Uiso 0.392(7) 1 calc R U P A 1 H33B H 1.133639 0.209247 0.158572 0.160 Uiso 0.392(7) 1 calc R U P A 1 H33C H 1.011379 0.261388 0.210732 0.160 Uiso 0.392(7) 1 calc R U P A 1 C33B C 1.2144(13) 0.2494(9) 0.1444(7) 0.093(4) Uani 0.608(7) 1 d D U P A 2 H33D H 1.204751 0.196502 0.190088 0.140 Uiso 0.608(7) 1 calc R U P A 2 H33E H 1.311152 0.255157 0.141689 0.140 Uiso 0.608(7) 1 calc R U P A 2 H33F H 1.199223 0.225962 0.102946 0.140 Uiso 0.608(7) 1 calc R U P A 2 C34A C 0.6477(12) 0.3353(9) 0.2824(7) 0.064(2) Uani 0.498(7) 1 d D U P A 1 H34A H 0.609002 0.369905 0.234477 0.077 Uiso 0.498(7) 1 calc R U P A 1 C34B C 0.6823(13) 0.3057(9) 0.3338(7) 0.064(2) Uani 0.502(7) 1 d D U P A 2 H34B H 0.666363 0.294778 0.384815 0.077 Uiso 0.502(7) 1 calc R U P A 2 C35A C 0.6207(16) 0.2091(12) 0.3923(6) 0.094(4) Uani 0.498(7) 1 d D U P A 1 H35A H 0.716842 0.205515 0.404437 0.140 Uiso 0.498(7) 1 calc R U P A 1 H35B H 0.616109 0.135685 0.403632 0.140 Uiso 0.498(7) 1 calc R U P A 1 H35C H 0.548225 0.250289 0.420898 0.140 Uiso 0.498(7) 1 calc R U P A 1 C35B C 0.6211(15) 0.2767(11) 0.2267(7) 0.078(3) Uani 0.502(7) 1 d D U P A 2 H35D H 0.535544 0.332923 0.201146 0.116 Uiso 0.502(7) 1 calc R U P A 2 H35E H 0.629246 0.207314 0.218688 0.116 Uiso 0.502(7) 1 calc R U P A 2 H35F H 0.707195 0.295854 0.207818 0.116 Uiso 0.502(7) 1 calc R U P A 2 C36A C 0.4864(13) 0.2418(11) 0.2807(8) 0.075(3) Uani 0.498(7) 1 d D U P A 1 H36A H 0.486586 0.276029 0.228103 0.113 Uiso 0.498(7) 1 calc R U P A 1 H36B H 0.390989 0.272112 0.300590 0.113 Uiso 0.498(7) 1 calc R U P A 1 H36C H 0.508933 0.163638 0.289524 0.113 Uiso 0.498(7) 1 calc R U P A 1 C36B C 0.5131(17) 0.2080(11) 0.3414(10) 0.093(4) Uani 0.502(7) 1 d D U P A 2 H36D H 0.545991 0.136190 0.332967 0.139 Uiso 0.502(7) 1 calc R U P A 2 H36E H 0.414645 0.247321 0.322596 0.139 Uiso 0.502(7) 1 calc R U P A 2 H36F H 0.514657 0.200144 0.393818 0.139 Uiso 0.502(7) 1 calc R U P A 2 C37A C 0.973(3) 0.7753(19) 0.0192(13) 0.087(4) Uani 0.38(3) 1 d D U P B 1 H37A H 0.894955 0.766429 0.050338 0.105 Uiso 0.38(3) 1 calc R U P B 1 C37B C 0.9290(19) 0.7933(13) 0.0263(8) 0.084(3) Uani 0.62(3) 1 d D U P B 2 H37B H 0.846665 0.810581 0.056197 0.101 Uiso 0.62(3) 1 calc R U P B 2 C38A C 1.068(2) 0.895(3) -0.0758(13) 0.081(6) Uani 0.38(3) 1 d D U P B 1 H38A H 1.160729 0.843407 -0.055872 0.121 Uiso 0.38(3) 1 calc R U P B 1 H38B H 1.065692 0.968843 -0.079550 0.121 Uiso 0.38(3) 1 calc R U P B 1 H38C H 1.053499 0.889964 -0.124282 0.121 Uiso 0.38(3) 1 calc R U P B 1 C38B C 1.0673(16) 0.840(2) -0.0823(9) 0.101(5) Uani 0.62(3) 1 d D U P B 2 H38D H 1.128091 0.764605 -0.062544 0.152 Uiso 0.62(3) 1 calc R U P B 2 H38E H 1.124590 0.887703 -0.087558 0.152 Uiso 0.62(3) 1 calc R U P B 2 H38F H 1.029572 0.849087 -0.130184 0.152 Uiso 0.62(3) 1 calc R U P B 2 C39A C 0.816(3) 0.960(2) -0.0316(18) 0.088(6) Uani 0.38(3) 1 d D U P B 1 H39A H 0.768797 0.976337 -0.078212 0.132 Uiso 0.38(3) 1 calc R U P B 1 H39B H 0.835543 1.024125 -0.028150 0.132 Uiso 0.38(3) 1 calc R U P B 1 H39C H 0.753861 0.938875 0.008677 0.132 Uiso 0.38(3) 1 calc R U P B 1 C39B C 0.8383(19) 0.9746(13) -0.0532(10) 0.087(4) Uani 0.62(3) 1 d D U P B 2 H39D H 0.794615 0.985639 -0.099878 0.130 Uiso 0.62(3) 1 calc R U P B 2 H39E H 0.883941 1.029653 -0.058030 0.130 Uiso 0.62(3) 1 calc R U P B 2 H39F H 0.763627 0.980662 -0.015571 0.130 Uiso 0.62(3) 1 calc R U P B 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_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ho1 0.01768(8) 0.01909(9) 0.01739(9) -0.00510(7) -0.00176(6) -0.00666(6) Ho2 0.02626(10) 0.02401(10) 0.02147(10) -0.00633(7) -0.00499(7) -0.00221(7) O1 0.0197(12) 0.0335(15) 0.0259(14) -0.0121(12) -0.0007(10) -0.0108(11) O2 0.0213(13) 0.0409(16) 0.0326(15) -0.0207(13) -0.0002(11) -0.0097(12) O3 0.0231(14) 0.0563(19) 0.0352(16) -0.0270(14) 0.0053(12) -0.0170(13) O4 0.0218(13) 0.0319(15) 0.0438(17) -0.0187(13) 0.0062(12) -0.0118(11) O5 0.093(3) 0.0245(15) 0.0253(16) 0.0006(12) -0.0221(16) -0.0247(16) O6 0.074(2) 0.0361(17) 0.0282(16) 0.0060(13) -0.0252(15) -0.0319(16) O7 0.0471(17) 0.0237(14) 0.0247(14) -0.0027(11) -0.0120(12) -0.0099(12) O8 0.0300(14) 0.0231(13) 0.0241(13) -0.0095(11) -0.0017(11) -0.0093(11) O9 0.052(2) 0.052(2) 0.0286(16) -0.0166(15) -0.0148(14) 0.0193(16) O10 0.0339(16) 0.0379(17) 0.0254(15) -0.0040(13) -0.0044(12) 0.0080(13) O11 0.069(2) 0.0352(17) 0.0434(19) -0.0245(15) -0.0249(16) 0.0137(15) O12 0.0333(14) 0.0244(14) 0.0197(13) -0.0045(11) -0.0036(11) -0.0084(11) O13 0.0370(18) 0.069(2) 0.050(2) 0.0094(18) 0.0103(15) -0.0007(16) O14 0.053(2) 0.059(2) 0.100(3) -0.031(2) 0.025(2) -0.0272(18) O15A 0.053(5) 0.061(5) 0.043(4) -0.031(3) -0.005(3) -0.001(3) O15B 0.059(4) 0.064(4) 0.038(3) -0.026(3) -0.006(3) 0.001(3) O16A 0.069(5) 0.048(4) 0.084(6) -0.008(4) -0.022(4) -0.030(4) O16B 0.068(5) 0.049(4) 0.082(6) -0.014(4) -0.021(4) -0.025(4) O17A 0.098(10) 0.127(7) 0.110(10) -0.003(7) 0.011(8) -0.022(7) O17B 0.106(8) 0.121(6) 0.089(7) 0.002(5) 0.021(6) -0.024(6) N1 0.0284(17) 0.057(2) 0.0294(18) -0.0232(17) 0.0051(14) -0.0207(17) N2 0.043(2) 0.0217(16) 0.0259(17) -0.0042(14) -0.0075(15) -0.0148(15) N3 0.0283(16) 0.0253(17) 0.0259(17) -0.0088(14) -0.0052(13) -0.0020(13) N4 0.0358(19) 0.043(2) 0.055(2) -0.0072(19) 0.0102(17) -0.0119(17) N5 0.047(2) 0.054(2) 0.076(3) -0.034(2) 0.019(2) -0.0230(19) N6A 0.071(5) 0.084(5) 0.069(5) -0.041(4) 0.015(4) -0.001(4) N6B 0.061(4) 0.078(4) 0.066(4) -0.038(3) 0.009(4) -0.009(3) N7A 0.071(4) 0.046(4) 0.085(4) -0.023(4) 0.009(4) -0.033(3) N7B 0.071(4) 0.044(4) 0.082(4) -0.025(4) 0.014(4) -0.035(3) N8A 0.057(4) 0.115(5) 0.054(5) -0.008(4) 0.012(4) -0.037(4) N8B 0.055(4) 0.115(4) 0.051(4) -0.006(3) 0.006(3) -0.036(3) C1 0.0227(17) 0.0260(18) 0.0208(17) -0.0043(15) -0.0020(14) -0.0105(14) C2 0.0214(17) 0.031(2) 0.0266(18) -0.0097(16) -0.0016(14) -0.0106(15) C3 0.0238(18) 0.041(2) 0.0279(19) -0.0147(17) 0.0030(15) -0.0139(17) C4 0.0269(18) 0.038(2) 0.0274(19) -0.0139(17) 0.0009(15) -0.0132(16) C5 0.0248(18) 0.038(2) 0.0267(19) -0.0142(17) -0.0005(15) -0.0143(16) C6 0.0223(17) 0.032(2) 0.0258(18) -0.0083(16) -0.0011(14) -0.0119(15) C7 0.0230(17) 0.030(2) 0.0227(18) -0.0098(16) -0.0012(14) -0.0097(15) C8 0.0207(17) 0.0304(19) 0.0260(18) -0.0084(16) -0.0010(14) -0.0086(15) C9 0.0295(19) 0.0243(18) 0.0214(17) -0.0047(14) -0.0019(15) -0.0101(15) C10 0.0264(18) 0.0225(17) 0.0212(17) -0.0061(14) -0.0018(14) -0.0080(14) C11 0.036(2) 0.0239(18) 0.0222(18) -0.0053(15) -0.0081(16) -0.0113(16) C12 0.034(2) 0.0218(17) 0.0239(18) -0.0063(14) -0.0030(15) -0.0128(15) C13 0.035(2) 0.0211(18) 0.0215(18) -0.0045(15) -0.0041(15) -0.0106(16) C14 0.0257(18) 0.0218(17) 0.0218(17) -0.0087(14) -0.0008(14) -0.0080(14) C15 0.0261(18) 0.0175(17) 0.0248(18) -0.0069(14) -0.0027(14) -0.0067(14) C16 0.0246(18) 0.0200(17) 0.0238(18) -0.0076(14) -0.0027(14) -0.0028(14) C17 0.0329(19) 0.0262(19) 0.0252(19) -0.0060(16) -0.0063(15) -0.0010(16) C18 0.0267(18) 0.0256(18) 0.0259(18) -0.0066(15) -0.0036(15) -0.0044(15) C19 0.0278(19) 0.0204(18) 0.0254(18) -0.0051(15) -0.0012(15) -0.0032(15) C20 0.0253(17) 0.0210(17) 0.0210(17) -0.0043(14) 0.0000(14) -0.0068(14) C21 0.0230(17) 0.0216(18) 0.0218(18) -0.0044(14) -0.0016(14) -0.0039(14) C22 0.0245(18) 0.0227(18) 0.0234(18) -0.0073(15) -0.0008(14) -0.0029(14) C23 0.0292(19) 0.0269(19) 0.0253(19) -0.0093(16) -0.0029(15) -0.0055(15) C24 0.0329(19) 0.0238(18) 0.0246(18) -0.0093(15) -0.0007(15) -0.0060(15) C25 0.035(2) 0.048(3) 0.042(2) -0.006(2) 0.0015(18) -0.0130(19) C26 0.047(3) 0.064(4) 0.091(5) -0.010(3) 0.019(3) -0.004(3) C27 0.073(4) 0.056(3) 0.081(4) -0.002(3) 0.030(3) -0.021(3) C28 0.042(2) 0.057(3) 0.075(3) -0.037(3) 0.025(2) -0.023(2) C29 0.074(4) 0.066(4) 0.111(5) -0.035(4) 0.035(4) -0.039(3) C30 0.048(3) 0.072(4) 0.114(6) -0.025(4) 0.017(3) -0.012(3) C31A 0.061(4) 0.069(4) 0.050(4) -0.035(4) 0.003(3) -0.004(4) C31B 0.058(4) 0.069(4) 0.051(4) -0.033(3) -0.002(3) -0.005(3) C32A 0.085(8) 0.121(9) 0.096(8) -0.044(7) 0.031(6) -0.003(7) C32B 0.117(8) 0.094(7) 0.096(6) -0.018(5) 0.020(6) -0.005(6) C33A 0.106(9) 0.088(6) 0.095(8) -0.032(6) 0.013(7) 0.008(6) C33B 0.077(6) 0.094(6) 0.089(7) -0.048(5) 0.018(5) 0.010(5) C34A 0.066(4) 0.050(4) 0.083(5) -0.014(4) -0.006(4) -0.029(3) C34B 0.075(4) 0.048(4) 0.075(5) -0.021(4) 0.001(4) -0.026(3) C35A 0.084(7) 0.084(7) 0.090(6) 0.004(5) 0.005(5) -0.024(6) C35B 0.089(7) 0.071(6) 0.085(5) -0.032(5) 0.001(5) -0.032(6) C36A 0.066(6) 0.067(6) 0.109(7) -0.042(6) 0.009(5) -0.031(5) C36B 0.093(7) 0.063(6) 0.130(8) -0.029(6) 0.042(6) -0.045(5) C37A 0.071(6) 0.116(6) 0.066(5) -0.006(5) 0.013(5) -0.038(5) C37B 0.069(5) 0.113(5) 0.064(4) -0.009(4) 0.010(4) -0.039(4) C38A 0.053(6) 0.114(10) 0.066(8) -0.009(8) 0.017(6) -0.034(7) C38B 0.064(6) 0.135(10) 0.075(6) -0.003(7) 0.018(5) -0.023(7) C39A 0.061(7) 0.120(8) 0.070(11) -0.010(8) 0.020(7) -0.034(6) C39B 0.073(7) 0.112(6) 0.064(8) -0.006(5) 0.016(6) -0.035(5) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ho Ho -0.2175 4.6783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O12 Ho1 O8 80.96(9) . . ? O12 Ho1 O4 81.80(10) . . ? O8 Ho1 O4 139.49(9) . . ? O12 Ho1 O5 150.84(9) . 2_675 ? O8 Ho1 O5 77.32(10) . 2_675 ? O4 Ho1 O5 102.53(12) . 2_675 ? O12 Ho1 O1 79.51(9) . 1_655 ? O8 Ho1 O1 135.89(9) . 1_655 ? O4 Ho1 O1 75.38(9) . 1_655 ? O5 Ho1 O1 129.62(9) 2_675 1_655 ? O12 Ho1 O6 154.99(9) . 2_675 ? O8 Ho1 O6 121.12(10) . 2_675 ? O4 Ho1 O6 86.53(11) . 2_675 ? O5 Ho1 O6 53.61(9) 2_675 2_675 ? O1 Ho1 O6 76.17(9) 1_655 2_675 ? O12 Ho1 O2 88.82(10) . 1_655 ? O8 Ho1 O2 85.80(9) . 1_655 ? O4 Ho1 O2 130.12(9) . 1_655 ? O5 Ho1 O2 108.58(11) 2_675 1_655 ? O1 Ho1 O2 54.75(9) 1_655 1_655 ? O6 Ho1 O2 81.91(11) 2_675 1_655 ? O12 Ho1 O3 77.88(10) . . ? O8 Ho1 O3 85.65(9) . . ? O4 Ho1 O3 54.93(9) . . ? O5 Ho1 O3 81.27(11) 2_675 . ? O1 Ho1 O3 127.50(9) 1_655 . ? O6 Ho1 O3 112.91(11) 2_675 . ? O2 Ho1 O3 165.17(10) 1_655 . ? O12 Ho1 C8 75.49(11) . . ? O8 Ho1 C8 112.10(10) . . ? O4 Ho1 C8 27.60(10) . . ? O5 Ho1 C8 94.91(12) 2_675 . ? O1 Ho1 C8 100.62(10) 1_655 . ? O6 Ho1 C8 103.32(12) 2_675 . ? O2 Ho1 C8 153.39(10) 1_655 . ? O3 Ho1 C8 27.64(10) . . ? O12 Ho1 C1 82.98(10) . 1_655 ? O8 Ho1 C1 111.27(10) . 1_655 ? O4 Ho1 C1 102.59(10) . 1_655 ? O5 Ho1 C1 123.05(11) 2_675 1_655 ? O1 Ho1 C1 27.21(10) 1_655 1_655 ? O6 Ho1 C1 78.07(10) 2_675 1_655 ? O2 Ho1 C1 27.54(10) 1_655 1_655 ? O3 Ho1 C1 152.13(10) . 1_655 ? C8 Ho1 C1 127.12(11) . 1_655 ? O12 Ho1 C9 174.41(10) . 2_675 ? O8 Ho1 C9 100.28(10) . 2_675 ? O4 Ho1 C9 93.90(11) . 2_675 ? O5 Ho1 C9 26.87(10) 2_675 2_675 ? O1 Ho1 C9 102.94(10) 1_655 2_675 ? O6 Ho1 C9 26.79(10) 2_675 2_675 ? O2 Ho1 C9 96.70(11) 1_655 2_675 ? O3 Ho1 C9 96.73(11) . 2_675 ? C8 Ho1 C9 99.04(11) . 2_675 ? C1 Ho1 C9 101.52(11) 1_655 2_675 ? O7 Ho2 O11 86.27(10) . . ? O7 Ho2 O16A 90.9(3) . . ? O11 Ho2 O16A 146.5(4) . . ? O7 Ho2 O16B 102.3(3) . . ? O11 Ho2 O16B 145.3(4) . . ? O7 Ho2 O14 93.63(13) . . ? O11 Ho2 O14 74.31(14) . . ? O16A Ho2 O14 139.2(4) . . ? O16B Ho2 O14 137.2(4) . . ? O7 Ho2 O15A 74.3(5) . . ? O11 Ho2 O15A 145.1(4) . . ? O16A Ho2 O15A 64.1(6) . . ? O14 Ho2 O15A 78.2(4) . . ? O7 Ho2 O13 77.72(11) . . ? O11 Ho2 O13 77.16(15) . . ? O16A Ho2 O13 69.7(4) . . ? O16B Ho2 O13 72.1(4) . . ? O14 Ho2 O13 150.66(15) . . ? O15A Ho2 O13 124.6(4) . . ? O7 Ho2 O10 154.74(10) . 2_766 ? O11 Ho2 O10 75.27(11) . 2_766 ? O16A Ho2 O10 95.1(3) . 2_766 ? O14 Ho2 O10 97.69(14) . 2_766 ? O15A Ho2 O10 130.1(5) . 2_766 ? O13 Ho2 O10 81.42(11) . 2_766 ? O7 Ho2 O15B 74.9(3) . . ? O11 Ho2 O15B 136.1(3) . . ? O16B Ho2 O15B 78.2(5) . . ? O14 Ho2 O15B 67.9(3) . . ? O13 Ho2 O15B 133.8(3) . . ? O10 Ho2 O15B 130.3(3) 2_766 . ? O7 Ho2 O9 151.00(10) . 2_766 ? O11 Ho2 O9 114.81(11) . 2_766 ? O16A Ho2 O9 81.9(3) . 2_766 ? O14 Ho2 O9 74.75(14) . 2_766 ? O15A Ho2 O9 77.3(5) . 2_766 ? O13 Ho2 O9 124.62(12) . 2_766 ? O10 Ho2 O9 54.26(10) 2_766 2_766 ? O7 Ho2 C17 177.29(12) . 2_766 ? O11 Ho2 C17 93.87(11) . 2_766 ? O16A Ho2 C17 90.4(3) . 2_766 ? O16B Ho2 C17 79.1(3) . 2_766 ? O14 Ho2 C17 83.81(14) . 2_766 ? O15A Ho2 C17 104.2(5) . 2_766 ? O13 Ho2 C17 104.95(12) . 2_766 ? O10 Ho2 C17 27.26(11) 2_766 2_766 ? O15B Ho2 C17 103.3(3) . 2_766 ? O9 Ho2 C17 27.16(11) 2_766 2_766 ? C1 O1 Ho1 92.2(2) . 1_455 ? C1 O2 Ho1 91.5(2) . 1_455 ? C8 O3 Ho1 89.2(2) . . ? C8 O4 Ho1 92.7(2) . . ? C9 O5 Ho1 93.4(2) . 2_675 ? C9 O6 Ho1 93.0(2) . 2_675 ? C16 O7 Ho2 147.6(3) . . ? C16 O8 Ho1 136.7(2) . . ? C17 O9 Ho2 90.9(2) . 2_766 ? C17 O10 Ho2 92.7(2) . 2_766 ? C24 O11 Ho2 143.6(3) . . ? C24 O12 Ho1 139.4(3) . . ? C25 O13 Ho2 136.5(3) . . ? C28 O14 Ho2 141.2(4) . . ? C31A O15A Ho2 132.0(12) . . ? C31B O15B Ho2 123.3(9) . . ? C34A O16A Ho2 159.5(11) . . ? C34B O16B Ho2 145.8(13) . . ? N1 N1 C4 114.5(4) 2_576 . ? N2 N2 C12 113.6(4) 2_665 . ? N3 N3 C22 114.1(4) 2_676 . ? C25 N4 C26 122.1(4) . . ? C25 N4 C27 121.7(4) . . ? C26 N4 C27 116.1(4) . . ? C28 N5 C30 121.1(5) . . ? C28 N5 C29 122.1(5) . . ? C30 N5 C29 116.5(5) . . ? C31A N6A C32A 122.3(15) . . ? C31A N6A C33A 116.8(13) . . ? C32A N6A C33A 116.6(12) . . ? C31B N6B C33B 124.9(10) . . ? C31B N6B C32B 120.4(10) . . ? C33B N6B C32B 114.7(10) . . ? C34A N7A C35A 120.2(8) . . ? C34A N7A C36A 120.6(8) . . ? C35A N7A C36A 118.6(8) . . ? C34B N7B C35B 120.4(12) . . ? C34B N7B C36B 126.0(14) . . ? C35B N7B C36B 113.6(12) . . ? C37A N8A C39A 122.6(17) . . ? C37A N8A C38A 120.6(17) . . ? C39A N8A C38A 116.7(16) . . ? C37B N8B C39B 120.6(11) . . ? C37B N8B C38B 120.4(12) . . ? C39B N8B C38B 118.6(10) . . ? O1 C1 O2 121.5(3) . . ? O1 C1 C2 119.0(3) . . ? O2 C1 C2 119.5(3) . . ? O1 C1 Ho1 60.60(18) . 1_455 ? O2 C1 Ho1 60.96(18) . 1_455 ? C2 C1 Ho1 179.0(3) . 1_455 ? C7 C2 C3 120.4(3) . . ? C7 C2 C1 119.3(3) . . ? C3 C2 C1 120.3(3) . . ? C2 C3 C4 118.9(4) . . ? C2 C3 H3 120.5 . . ? C4 C3 H3 120.5 . . ? C5 C4 C3 120.7(4) . . ? C5 C4 N1 115.0(3) . . ? C3 C4 N1 124.3(4) . . ? C4 C5 C6 120.0(3) . . ? C4 C5 H5 120.0 . . ? C6 C5 H5 120.0 . . ? C5 C6 C7 119.8(4) . . ? C5 C6 C8 120.4(3) . . ? C7 C6 C8 119.8(3) . . ? C2 C7 C6 120.1(4) . . ? C2 C7 H7 119.9 . . ? C6 C7 H7 119.9 . . ? O4 C8 O3 121.8(3) . . ? O4 C8 C6 118.6(3) . . ? O3 C8 C6 119.6(3) . . ? O4 C8 Ho1 59.65(19) . . ? O3 C8 Ho1 63.20(19) . . ? C6 C8 Ho1 168.1(3) . . ? O6 C9 O5 119.8(4) . . ? O6 C9 C10 120.3(3) . . ? O5 C9 C10 119.8(3) . . ? O6 C9 Ho1 60.3(2) . 2_675 ? O5 C9 Ho1 59.8(2) . 2_675 ? C10 C9 Ho1 174.0(3) . 2_675 ? C11 C10 C15 120.6(3) . . ? C11 C10 C9 119.4(3) . . ? C15 C10 C9 119.9(3) . . ? C10 C11 C12 119.5(3) . . ? C10 C11 H11 120.3 . . ? C12 C11 H11 120.3 . . ? C13 C12 C11 120.6(3) . . ? C13 C12 N2 115.0(3) . . ? C11 C12 N2 124.4(3) . . ? C12 C13 C14 119.5(3) . . ? C12 C13 H13 120.2 . . ? C14 C13 H13 120.2 . . ? C15 C14 C13 120.1(3) . . ? C15 C14 C16 120.9(3) . . ? C13 C14 C16 119.0(3) . . ? C14 C15 C10 119.6(3) . . ? C14 C15 H15 120.2 . . ? C10 C15 H15 120.2 . . ? O7 C16 O8 125.2(3) . . ? O7 C16 C14 117.5(3) . . ? O8 C16 C14 117.4(3) . . ? O9 C17 O10 121.4(4) . . ? O9 C17 C18 119.1(4) . . ? O10 C17 C18 119.5(4) . . ? O9 C17 Ho2 61.9(2) . 2_766 ? O10 C17 Ho2 60.1(2) . 2_766 ? C18 C17 Ho2 170.6(3) . 2_766 ? C23 C18 C19 120.2(4) . . ? C23 C18 C17 119.9(3) . . ? C19 C18 C17 119.9(3) . . ? C18 C19 C20 119.8(4) . . ? C18 C19 H19 120.1 . . ? C20 C19 H19 120.1 . . ? C21 C20 C19 120.3(3) . . ? C21 C20 C24 119.8(3) . . ? C19 C20 C24 119.9(3) . . ? C20 C21 C22 119.6(3) . . ? C20 C21 H21 120.2 . . ? C22 C21 H21 120.2 . . ? C23 C22 C21 120.3(3) . . ? C23 C22 N3 115.8(3) . . ? C21 C22 N3 123.9(3) . . ? C18 C23 C22 119.8(4) . . ? C18 C23 H23 120.1 . . ? C22 C23 H23 120.1 . . ? O11 C24 O12 124.5(4) . . ? O11 C24 C20 117.2(3) . . ? O12 C24 C20 118.3(3) . . ? O13 C25 N4 124.5(5) . . ? O13 C25 H25 117.8 . . ? N4 C25 H25 117.8 . . ? N4 C26 H26A 109.5 . . ? N4 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? N4 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? N4 C27 H27A 109.5 . . ? N4 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? N4 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? O14 C28 N5 123.2(5) . . ? O14 C28 H28 118.4 . . ? N5 C28 H28 118.4 . . ? N5 C29 H29A 109.5 . . ? N5 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? N5 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? N5 C30 H30A 109.5 . . ? N5 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? N5 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? O15A C31A N6A 123.6(15) . . ? O15A C31A H31A 118.2 . . ? N6A C31A H31A 118.2 . . ? O15B C31B N6B 128.3(11) . . ? O15B C31B H31B 115.9 . . ? N6B C31B H31B 115.9 . . ? N6A C32A H32A 109.5 . . ? N6A C32A H32B 109.5 . . ? H32A C32A H32B 109.5 . . ? N6A C32A H32C 109.5 . . ? H32A C32A H32C 109.5 . . ? H32B C32A H32C 109.5 . . ? N6B C32B H32D 109.5 . . ? N6B C32B H32E 109.5 . . ? H32D C32B H32E 109.5 . . ? N6B C32B H32F 109.5 . . ? H32D C32B H32F 109.5 . . ? H32E C32B H32F 109.5 . . ? N6A C33A H33A 109.5 . . ? N6A C33A H33B 109.5 . . ? H33A C33A H33B 109.5 . . ? N6A C33A H33C 109.5 . . ? H33A C33A H33C 109.5 . . ? H33B C33A H33C 109.5 . . ? N6B C33B H33D 109.5 . . ? N6B C33B H33E 109.5 . . ? H33D C33B H33E 109.5 . . ? N6B C33B H33F 109.5 . . ? H33D C33B H33F 109.5 . . ? H33E C33B H33F 109.5 . . ? O16A C34A N7A 138.5(12) . . ? O16A C34A H34A 110.7 . . ? N7A C34A H34A 110.8 . . ? O16B C34B N7B 133.1(15) . . ? O16B C34B H34B 113.4 . . ? N7B C34B H34B 113.4 . . ? N7A C35A H35A 109.5 . . ? N7A C35A H35B 109.5 . . ? H35A C35A H35B 109.5 . . ? N7A C35A H35C 109.5 . . ? H35A C35A H35C 109.5 . . ? H35B C35A H35C 109.5 . . ? N7B C35B H35D 109.5 . . ? N7B C35B H35E 109.5 . . ? H35D C35B H35E 109.5 . . ? N7B C35B H35F 109.5 . . ? H35D C35B H35F 109.5 . . ? H35E C35B H35F 109.5 . . ? N7A C36A H36A 109.5 . . ? N7A C36A H36B 109.5 . . ? H36A C36A H36B 109.5 . . ? N7A C36A H36C 109.5 . . ? H36A C36A H36C 109.5 . . ? H36B C36A H36C 109.5 . . ? N7B C36B H36D 109.5 . . ? N7B C36B H36E 109.5 . . ? H36D C36B H36E 109.5 . . ? N7B C36B H36F 109.5 . . ? H36D C36B H36F 109.5 . . ? H36E C36B H36F 109.5 . . ? O17A C37A N8A 127.9(19) . . ? O17A C37A H37A 116.0 . . ? N8A C37A H37A 116.1 . . ? O17B C37B N8B 120.7(13) . . ? O17B C37B H37B 119.7 . . ? N8B C37B H37B 119.7 . . ? N8A C38A H38A 109.5 . . ? N8A C38A H38B 109.5 . . ? H38A C38A H38B 109.5 . . ? N8A C38A H38C 109.5 . . ? H38A C38A H38C 109.5 . . ? H38B C38A H38C 109.5 . . ? N8B C38B H38D 109.5 . . ? N8B C38B H38E 109.5 . . ? H38D C38B H38E 109.5 . . ? N8B C38B H38F 109.5 . . ? H38D C38B H38F 109.5 . . ? H38E C38B H38F 109.5 . . ? N8A C39A H39A 109.5 . . ? N8A C39A H39B 109.5 . . ? H39A C39A H39B 109.5 . . ? N8A C39A H39C 109.5 . . ? H39A C39A H39C 109.5 . . ? H39B C39A H39C 109.5 . . ? N8B C39B H39D 109.5 . . ? N8B C39B H39E 109.5 . . ? H39D C39B H39E 109.5 . . ? N8B C39B H39F 109.5 . . ? H39D C39B H39F 109.5 . . ? H39E C39B H39F 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ho1 O12 2.271(3) . ? Ho1 O8 2.284(2) . ? Ho1 O4 2.349(3) . ? Ho1 O5 2.390(3) 2_675 ? Ho1 O1 2.394(2) 1_655 ? Ho1 O6 2.401(3) 2_675 ? Ho1 O2 2.402(2) 1_655 ? Ho1 O3 2.427(3) . ? Ho1 C8 2.718(4) . ? Ho1 C1 2.746(4) 1_655 ? Ho1 C9 2.762(4) 2_675 ? Ho2 O7 2.272(3) . ? Ho2 O11 2.297(3) . ? Ho2 O16A 2.312(9) . ? Ho2 O16B 2.319(9) . ? Ho2 O14 2.319(4) . ? Ho2 O15A 2.375(11) . ? Ho2 O13 2.380(3) . ? Ho2 O10 2.381(3) 2_766 ? Ho2 O15B 2.388(7) . ? Ho2 O9 2.421(3) 2_766 ? Ho2 C17 2.744(4) 2_766 ? O1 C1 1.257(4) . ? O2 C1 1.270(5) . ? O3 C8 1.261(5) . ? O4 C8 1.261(4) . ? O5 C9 1.251(5) . ? O6 C9 1.246(5) . ? O7 C16 1.252(5) . ? O8 C16 1.267(4) . ? O9 C17 1.253(5) . ? O10 C17 1.258(5) . ? O11 C24 1.244(5) . ? O12 C24 1.258(5) . ? O13 C25 1.238(6) . ? O14 C28 1.233(6) . ? O15A C31A 1.216(9) . ? O15B C31B 1.244(12) . ? O16A C34A 1.152(11) . ? O16B C34B 1.106(12) . ? O17A C37A 1.252(17) . ? O17B C37B 1.265(13) . ? N1 N1 1.241(7) 2_576 ? N1 C4 1.441(5) . ? N2 N2 1.256(6) 2_665 ? N2 C12 1.438(5) . ? N3 N3 1.249(6) 2_676 ? N3 C22 1.433(5) . ? N4 C25 1.315(6) . ? N4 C26 1.450(7) . ? N4 C27 1.455(7) . ? N5 C28 1.308(6) . ? N5 C30 1.453(7) . ? N5 C29 1.458(7) . ? N6A C31A 1.306(8) . ? N6A C32A 1.459(9) . ? N6A C33A 1.462(9) . ? N6B C31B 1.286(11) . ? N6B C33B 1.447(11) . ? N6B C32B 1.478(13) . ? N7A C34A 1.286(10) . ? N7A C35A 1.436(8) . ? N7A C36A 1.438(8) . ? N7B C34B 1.286(13) . ? N7B C35B 1.443(14) . ? N7B C36B 1.454(13) . ? N8A C37A 1.318(15) . ? N8A C39A 1.454(15) . ? N8A C38A 1.465(15) . ? N8B C37B 1.321(12) . ? N8B C39B 1.455(12) . ? N8B C38B 1.472(12) . ? C1 C2 1.502(5) . ? C2 C7 1.391(5) . ? C2 C3 1.395(5) . ? C3 C4 1.399(5) . ? C3 H3 0.9500 . ? C4 C5 1.387(5) . ? C5 C6 1.391(5) . ? C5 H5 0.9500 . ? C6 C7 1.392(5) . ? C6 C8 1.493(5) . ? C7 H7 0.9500 . ? C9 C10 1.499(5) . ? C10 C11 1.382(5) . ? C10 C15 1.398(5) . ? C11 C12 1.391(5) . ? C11 H11 0.9500 . ? C12 C13 1.390(5) . ? C13 C14 1.397(5) . ? C13 H13 0.9500 . ? C14 C15 1.388(5) . ? C14 C16 1.505(5) . ? C15 H15 0.9500 . ? C17 C18 1.499(5) . ? C18 C23 1.388(5) . ? C18 C19 1.389(5) . ? C19 C20 1.398(5) . ? C19 H19 0.9500 . ? C20 C21 1.385(5) . ? C20 C24 1.498(5) . ? C21 C22 1.395(5) . ? C21 H21 0.9500 . ? C22 C23 1.394(5) . ? C23 H23 0.9500 . ? C25 H25 0.9500 . ? 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 H28 0.9500 . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31A H31A 0.9500 . ? C31B H31B 0.9500 . ? C32A H32A 0.9800 . ? C32A H32B 0.9800 . ? C32A H32C 0.9800 . ? C32B H32D 0.9800 . ? C32B H32E 0.9800 . ? C32B H32F 0.9800 . ? C33A H33A 0.9800 . ? C33A H33B 0.9800 . ? C33A H33C 0.9800 . ? C33B H33D 0.9800 . ? C33B H33E 0.9800 . ? C33B H33F 0.9800 . ? C34A H34A 0.9500 . ? C34B H34B 0.9500 . ? C35A H35A 0.9800 . ? C35A H35B 0.9800 . ? C35A H35C 0.9800 . ? C35B H35D 0.9800 . ? C35B H35E 0.9800 . ? C35B H35F 0.9800 . ? C36A H36A 0.9800 . ? C36A H36B 0.9800 . ? C36A H36C 0.9800 . ? C36B H36D 0.9800 . ? C36B H36E 0.9800 . ? C36B H36F 0.9800 . ? C37A H37A 0.9500 . ? C37B H37B 0.9500 . ? C38A H38A 0.9800 . ? C38A H38B 0.9800 . ? C38A H38C 0.9800 . ? C38B H38D 0.9800 . ? C38B H38E 0.9800 . ? C38B H38F 0.9800 . ? C39A H39A 0.9800 . ? C39A H39B 0.9800 . ? C39A H39C 0.9800 . ? C39B H39D 0.9800 . ? C39B H39E 0.9800 . ? C39B H39F 0.9800 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag C25 H25 O12 0.95 2.57 3.328(6) 137.1 . yes C28 H28 O2 0.95 2.52 3.386(6) 152.2 1_655 yes C35B^b H35E^b O6 0.98 2.26 3.151(12) 150.4 2_665 yes C36A^a H36C^a O1 0.98 2.52 3.358(14) 143.7 1_645 yes C36A^a H36C^a O4 0.98 2.59 3.432(10) 143.8 1_545 yes C36B^b H36D^b O1 0.98 2.37 3.280(15) 155.1 1_645 yes C37B^b H37B^b O8 0.95 2.40 3.307(16) 159.3 . yes C39A^a H39C^a O5 0.98 2.57 3.39(2) 141.4 2_675 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Ho1 O1 C1 O2 1.8(4) 1_455 . . . ? Ho1 O1 C1 C2 -179.0(3) 1_455 . . . ? Ho1 O2 C1 O1 -1.8(4) 1_455 . . . ? Ho1 O2 C1 C2 179.0(3) 1_455 . . . ? O1 C1 C2 C7 -156.4(4) . . . . ? O2 C1 C2 C7 22.9(6) . . . . ? O1 C1 C2 C3 22.6(6) . . . . ? O2 C1 C2 C3 -158.1(4) . . . . ? C7 C2 C3 C4 -1.2(6) . . . . ? C1 C2 C3 C4 179.8(4) . . . . ? C2 C3 C4 C5 3.2(6) . . . . ? C2 C3 C4 N1 -177.8(4) . . . . ? N1 N1 C4 C5 170.3(5) 2_576 . . . ? N1 N1 C4 C3 -8.8(7) 2_576 . . . ? C3 C4 C5 C6 -2.3(6) . . . . ? N1 C4 C5 C6 178.6(4) . . . . ? C4 C5 C6 C7 -0.6(6) . . . . ? C4 C5 C6 C8 179.8(4) . . . . ? C3 C2 C7 C6 -1.8(6) . . . . ? C1 C2 C7 C6 177.3(4) . . . . ? C5 C6 C7 C2 2.7(6) . . . . ? C8 C6 C7 C2 -177.8(4) . . . . ? Ho1 O4 C8 O3 -12.3(4) . . . . ? Ho1 O4 C8 C6 166.5(3) . . . . ? Ho1 O3 C8 O4 11.9(4) . . . . ? Ho1 O3 C8 C6 -166.9(3) . . . . ? C5 C6 C8 O4 -28.9(6) . . . . ? C7 C6 C8 O4 151.6(4) . . . . ? C5 C6 C8 O3 150.0(4) . . . . ? C7 C6 C8 O3 -29.5(6) . . . . ? C5 C6 C8 Ho1 49.6(15) . . . . ? C7 C6 C8 Ho1 -130.0(12) . . . . ? Ho1 O6 C9 O5 4.6(4) 2_675 . . . ? Ho1 O6 C9 C10 -173.1(3) 2_675 . . . ? Ho1 O5 C9 O6 -4.7(4) 2_675 . . . ? Ho1 O5 C9 C10 173.1(3) 2_675 . . . ? O6 C9 C10 C11 1.2(6) . . . . ? O5 C9 C10 C11 -176.6(4) . . . . ? O6 C9 C10 C15 178.8(4) . . . . ? O5 C9 C10 C15 1.0(6) . . . . ? C15 C10 C11 C12 -1.9(6) . . . . ? C9 C10 C11 C12 175.7(4) . . . . ? C10 C11 C12 C13 1.6(6) . . . . ? C10 C11 C12 N2 -178.7(4) . . . . ? N2 N2 C12 C13 -168.5(4) 2_665 . . . ? N2 N2 C12 C11 11.8(7) 2_665 . . . ? C11 C12 C13 C14 -0.8(6) . . . . ? N2 C12 C13 C14 179.5(4) . . . . ? C12 C13 C14 C15 0.2(6) . . . . ? C12 C13 C14 C16 -179.6(4) . . . . ? C13 C14 C15 C10 -0.5(6) . . . . ? C16 C14 C15 C10 179.3(3) . . . . ? C11 C10 C15 C14 1.3(6) . . . . ? C9 C10 C15 C14 -176.2(3) . . . . ? Ho2 O7 C16 O8 -51.2(7) . . . . ? Ho2 O7 C16 C14 128.6(4) . . . . ? Ho1 O8 C16 O7 -67.0(5) . . . . ? Ho1 O8 C16 C14 113.2(4) . . . . ? C15 C14 C16 O7 167.4(4) . . . . ? C13 C14 C16 O7 -12.7(5) . . . . ? C15 C14 C16 O8 -12.8(5) . . . . ? C13 C14 C16 O8 167.0(3) . . . . ? Ho2 O9 C17 O10 -8.8(5) 2_766 . . . ? Ho2 O9 C17 C18 169.3(3) 2_766 . . . ? Ho2 O10 C17 O9 9.0(5) 2_766 . . . ? Ho2 O10 C17 C18 -169.1(3) 2_766 . . . ? O9 C17 C18 C23 23.0(6) . . . . ? O10 C17 C18 C23 -158.9(4) . . . . ? O9 C17 C18 C19 -154.3(4) . . . . ? O10 C17 C18 C19 23.9(6) . . . . ? C23 C18 C19 C20 -0.3(6) . . . . ? C17 C18 C19 C20 177.0(4) . . . . ? C18 C19 C20 C21 0.9(6) . . . . ? C18 C19 C20 C24 -178.6(4) . . . . ? C19 C20 C21 C22 -0.9(6) . . . . ? C24 C20 C21 C22 178.6(4) . . . . ? C20 C21 C22 C23 0.2(6) . . . . ? C20 C21 C22 N3 179.4(4) . . . . ? N3 N3 C22 C23 -169.0(4) 2_676 . . . ? N3 N3 C22 C21 11.8(6) 2_676 . . . ? C19 C18 C23 C22 -0.4(6) . . . . ? C17 C18 C23 C22 -177.7(4) . . . . ? C21 C22 C23 C18 0.5(6) . . . . ? N3 C22 C23 C18 -178.8(4) . . . . ? Ho2 O11 C24 O12 -20.2(8) . . . . ? Ho2 O11 C24 C20 158.3(4) . . . . ? Ho1 O12 C24 O11 -93.6(5) . . . . ? Ho1 O12 C24 C20 88.0(5) . . . . ? C21 C20 C24 O11 -169.5(4) . . . . ? C19 C20 C24 O11 10.0(6) . . . . ? C21 C20 C24 O12 9.0(6) . . . . ? C19 C20 C24 O12 -171.5(4) . . . . ? Ho2 O13 C25 N4 176.6(4) . . . . ? C26 N4 C25 O13 -177.7(6) . . . . ? C27 N4 C25 O13 -1.3(9) . . . . ? Ho2 O14 C28 N5 -170.8(4) . . . . ? C30 N5 C28 O14 3.2(9) . . . . ? C29 N5 C28 O14 177.0(6) . . . . ? Ho2 O15A C31A N6A 124(2) . . . . ? C32A N6A C31A O15A -174(2) . . . . ? C33A N6A C31A O15A -18(3) . . . . ? Ho2 O15B C31B N6B -148.7(11) . . . . ? C33B N6B C31B O15B 177.4(13) . . . . ? C32B N6B C31B O15B -5(2) . . . . ? Ho2 O16A C34A N7A -123(3) . . . . ? C35A N7A C34A O16A 9(3) . . . . ? C36A N7A C34A O16A 179.2(19) . . . . ? Ho2 O16B C34B N7B 127.5(19) . . . . ? C35B N7B C34B O16B 1(3) . . . . ? C36B N7B C34B O16B 176.8(17) . . . . ? C39A N8A C37A O17A 180(3) . . . . ? C38A N8A C37A O17A -2(3) . . . . ? C39B N8B C37B O17B 177.8(16) . . . . ? C38B N8B C37B O17B 5(2) . . . . ?