#------------------------------------------------------------------------------ #$Date: 2021-09-06 11:45:52 +0300 (Mon, 06 Sep 2021) $ #$Revision: 268490 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/43/1564353.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_1564353 loop_ _publ_author_name 'Taniguchi, Yoshimasa' 'Miwa, Mayuka' 'Kitada, Naoki' _publ_section_title ; Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes. ; _journal_issue 17 _journal_name_full 'The Analyst' _journal_page_first 5230 _journal_page_last 5235 _journal_paper_doi 10.1039/d1an00948f _journal_volume 146 _journal_year 2021 _chemical_absolute_configuration rmad _chemical_formula_moiety ; (C46 H38 Co2 N6 O6), (C10 H18 O), 2(N O3), (C3 H8 O), 0.187(O) ; _chemical_formula_sum 'C59 H64 Co2 N8 O14.19' _chemical_formula_weight 1230.01 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2021-02-11 deposited with the CCDC. 2021-02-11 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 92.469(2) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 10.1997(2) _cell_length_b 24.6572(6) _cell_length_c 11.4298(2) _cell_measurement_reflns_used 14250 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 72.3770 _cell_measurement_theta_min 9.3670 _cell_volume 2871.88(10) _computing_cell_refinement 'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)' _computing_data_collection 'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)' _computing_data_reduction 'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)' _computing_molecular_graphics 'shelXle (Hubschle et al., 2011)' _computing_publication_material 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 100.00(10) _diffrn_detector_area_resol_mean 10.0000 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.970 _diffrn_measurement_device_type 'XtaLAB Synergy R, HyPix' _diffrn_measurement_method '\w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.107 _diffrn_reflns_av_unetI/netI 0.0236 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.970 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 30 _diffrn_reflns_limit_k_min -30 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 103594 _diffrn_reflns_point_group_measured_fraction_full 0.973 _diffrn_reflns_point_group_measured_fraction_max 0.930 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 82.310 _diffrn_reflns_theta_min 3.585 _diffrn_source 'Rotating-anode X-ray tube' _exptl_absorpt_coefficient_mu 5.142 _exptl_absorpt_correction_T_max 0.17757 _exptl_absorpt_correction_T_min 0.07118 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020) Spherical absorption correction using equivalent radius and absorption coefficient. Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour red _exptl_crystal_density_diffrn 1.422 _exptl_crystal_description block _exptl_crystal_F_000 1283 _exptl_crystal_size_max 0.324 _exptl_crystal_size_mid 0.244 _exptl_crystal_size_min 0.201 _refine_diff_density_max 1.877 _refine_diff_density_min -0.712 _refine_diff_density_rms 0.138 _refine_ls_abs_structure_details ; Flack x determined using 4079 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.027(22) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.038 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 795 _refine_ls_number_reflns 23229 _refine_ls_number_restraints 76 _refine_ls_restrained_S_all 1.038 _refine_ls_R_factor_all 0.1281 _refine_ls_R_factor_gt 0.1188 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.2463P)^2^+2.4400P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.3182 _refine_ls_wR_factor_ref 0.3341 _reflns_Friedel_coverage 0.872 _reflns_Friedel_fraction_full 0.945 _reflns_Friedel_fraction_max 0.887 _reflns_number_gt 20408 _reflns_number_total 23229 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1an00948f1.cif _cod_data_source_block 7a@3S _cod_depositor_comments 'Adding full bibliography for 1564341--1564354.cif.' _cod_original_sg_symbol_H-M 'P 21' _cod_database_code 1564353 _shelx_shelxl_version_number 2018/3 _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 0.287 _shelx_estimated_absorpt_t_max 0.425 _shelx_res_file ; TITL exp_1983_twin1_hklf4_a.res in P2(1) exp_1983_twin1_hklf5.res created by SHELXL-2018/3 at 02:10:44 on 11-Jan-2021 REM Old TITL exp_1983_twin1_hklf4 in P2(1) REM SHELXT solution in P2(1): R1 0.126, Rweak 0.038, Alpha 0.014 REM 0.000 for 0 systematic absences, Orientation as input REM Flack x = 0.046 ( 0.008 ) from 4079 Parsons' quotients REM Formula found by SHELXT: C53 N9 O16 Co2 CELL 1.54184 10.1997 24.6572 11.4298 90.000 92.469 90.000 ZERR 2.000 0.0002 0.0006 0.0002 0.000 0.002 0.000 LATT -1 SYMM -X, 1/2+Y, -Z SFAC C H N O CO UNIT 118 128 16 28.3719 4 L.S. 10 BOND LIST 4 SIZE 0.201 0.244 0.324 ACTA TEMP -173 FMAP 2 PLAN 200 WGHT 0.246300 2.440000 BASF 0.36461 FVAR 3.04323 0.81332 0.58803 CO1 5 1.028088 0.499994 0.426867 11.00000 0.04458 0.03523 = 0.03878 0.00018 0.00144 -0.00017 N1 3 1.110792 0.420274 0.441007 11.00000 0.05217 0.03084 = 0.05439 0.00280 0.00051 -0.00200 CO2 5 0.531905 0.580941 0.443719 11.00000 0.04412 0.03558 = 0.03930 -0.00037 0.00233 -0.00083 C2 1 1.045555 0.380943 0.496311 11.00000 0.04087 0.03870 = 0.07700 0.00283 0.00640 0.00199 AFIX 43 H2 2 0.959069 0.388117 0.519881 11.00000 -1.20000 AFIX 0 C3 1 1.099265 0.331239 0.519625 11.00000 0.05772 0.04107 = 0.07480 0.01381 0.01023 -0.00417 AFIX 43 H3 2 1.051755 0.304904 0.561232 11.00000 -1.20000 AFIX 0 C4 1 1.224238 0.319297 0.482070 11.00000 0.04924 0.04051 = 0.05561 0.00379 -0.00346 -0.00023 C5 1 1.290457 0.359451 0.424244 11.00000 0.04524 0.04218 = 0.06617 0.00327 0.00684 0.00341 AFIX 43 H5 2 1.375730 0.353073 0.396877 11.00000 -1.20000 AFIX 0 C6 1 1.229064 0.409566 0.407038 11.00000 0.04665 0.03306 = 0.05585 0.00736 0.00289 -0.00013 AFIX 43 H6 2 1.275421 0.437348 0.368718 11.00000 -1.20000 AFIX 0 C7 1 1.285615 0.265226 0.505970 11.00000 0.05504 0.02539 = 0.06406 0.00171 0.00301 0.00233 C8 1 1.206374 0.220407 0.516812 11.00000 0.05018 0.02790 = 0.13133 0.01511 0.00990 0.00054 AFIX 43 H8 2 1.113633 0.223872 0.509273 11.00000 -1.20000 AFIX 0 C9 1 1.264113 0.169602 0.539104 11.00000 0.06655 0.03346 = 0.09502 0.01189 0.00671 -0.00435 AFIX 43 H9 2 1.208517 0.139220 0.549435 11.00000 -1.20000 AFIX 0 N10 3 1.391412 0.162263 0.546285 11.00000 0.04671 0.04115 = 0.04802 0.00093 0.00574 -0.00032 C11 1 1.468473 0.206062 0.534447 11.00000 0.04933 0.04171 = 0.10057 0.01011 -0.00066 -0.00507 AFIX 43 H11 2 1.561037 0.201543 0.539680 11.00000 -1.20000 AFIX 0 C12 1 1.417457 0.257538 0.514883 11.00000 0.06058 0.02570 = 0.10660 0.00657 0.00868 -0.00371 AFIX 43 H12 2 1.474973 0.287545 0.507688 11.00000 -1.20000 AFIX 0 N13 3 1.030745 0.492007 0.237753 11.00000 0.05632 0.03792 = 0.04360 0.00068 0.00111 0.00265 C14 1 1.135861 0.507191 0.177297 11.00000 0.05027 0.05682 = 0.04016 0.00002 0.00146 -0.00733 AFIX 43 H14 2 1.210373 0.520887 0.220438 11.00000 -1.20000 AFIX 0 C15 1 1.141902 0.504119 0.058159 11.00000 0.04646 0.07458 = 0.04221 0.00415 0.00251 -0.00231 AFIX 43 H15 2 1.219767 0.514155 0.020900 11.00000 -1.20000 AFIX 0 C16 1 1.031659 0.485960 -0.008333 11.00000 0.04703 0.04704 = 0.05129 -0.00436 0.00154 0.00208 C18 1 0.929861 0.471831 0.173951 11.00000 0.05310 0.05083 = 0.04416 0.00179 0.00126 0.00049 AFIX 43 H18 2 0.856340 0.459033 0.214131 11.00000 -1.20000 AFIX 0 C17 1 0.924983 0.468252 0.052481 11.00000 0.05362 0.05661 = 0.04328 -0.00115 -0.00124 -0.00028 AFIX 43 H17 2 0.849642 0.453880 0.011703 11.00000 -1.20000 AFIX 0 C19 1 1.029899 0.487582 -0.137733 11.00000 0.06276 0.03398 = 0.04861 -0.00153 0.00288 -0.00146 C20 1 1.141714 0.483152 -0.201461 11.00000 0.04642 0.05807 = 0.05012 -0.00288 -0.00243 0.00143 AFIX 43 H20 2 1.224079 0.476507 -0.162093 11.00000 -1.20000 AFIX 0 C21 1 1.134486 0.488294 -0.321232 11.00000 0.04385 0.06197 = 0.04718 -0.00254 0.00072 0.00103 AFIX 43 H21 2 1.212796 0.484326 -0.362499 11.00000 -1.20000 AFIX 0 N22 3 1.022692 0.498608 -0.382637 11.00000 0.05447 0.03529 = 0.04896 0.00068 0.00701 -0.00137 C23 1 0.914300 0.502152 -0.323278 11.00000 0.05021 0.05580 = 0.05264 -0.00231 -0.00141 0.00344 AFIX 43 H23 2 0.833771 0.509498 -0.365136 11.00000 -1.20000 AFIX 0 C24 1 0.912997 0.495509 -0.200652 11.00000 0.04610 0.05911 = 0.05055 -0.00116 0.00372 -0.00222 AFIX 43 H24 2 0.832494 0.496487 -0.161883 11.00000 -1.20000 AFIX 0 N25 3 0.531280 0.585029 0.631655 11.00000 0.04800 0.04100 = 0.04722 -0.00100 0.00770 -0.00082 C26 1 0.420593 0.581067 0.690582 11.00000 0.05489 0.08316 = 0.05242 0.00127 0.00284 -0.01277 AFIX 43 H26 2 0.339896 0.577668 0.646510 11.00000 -1.20000 AFIX 0 C27 1 0.416610 0.581626 0.812525 11.00000 0.05569 0.09455 = 0.04689 0.00820 0.00242 -0.00999 AFIX 43 H27 2 0.335814 0.577223 0.849782 11.00000 -1.20000 AFIX 0 C28 1 0.532745 0.588725 0.878181 11.00000 0.05061 0.05245 = 0.04980 0.00102 0.00184 -0.00137 C29 1 0.648090 0.595616 0.817012 11.00000 0.04224 0.05999 = 0.04999 -0.00431 -0.00098 -0.00055 AFIX 43 H29 2 0.729601 0.601565 0.858388 11.00000 -1.20000 AFIX 0 C30 1 0.641948 0.593681 0.697319 11.00000 0.03929 0.05394 = 0.05553 -0.00544 0.00431 0.00258 AFIX 43 H30 2 0.721134 0.598789 0.657904 11.00000 -1.20000 AFIX 0 C31 1 0.533301 0.589050 1.007144 11.00000 0.05253 0.05075 = 0.04479 -0.00173 0.00009 -0.00580 C32 1 0.422291 0.603761 1.068791 11.00000 0.05120 0.06144 = 0.05413 0.00488 0.00097 0.00538 AFIX 43 H32 2 0.344649 0.615410 1.027268 11.00000 -1.20000 AFIX 0 C33 1 0.426013 0.601304 1.188922 11.00000 0.05106 0.05625 = 0.04657 -0.00087 0.00286 0.00344 AFIX 43 H33 2 0.349352 0.611150 1.228234 11.00000 -1.20000 AFIX 0 N34 3 0.532866 0.585637 1.254063 11.00000 0.04891 0.04563 = 0.04406 -0.00258 0.00328 -0.00586 C35 1 0.641479 0.573349 1.194321 11.00000 0.04831 0.05181 = 0.04467 -0.00423 -0.00049 -0.00118 AFIX 43 H35 2 0.719117 0.563302 1.237895 11.00000 -1.20000 AFIX 0 C36 1 0.644849 0.574683 1.075245 11.00000 0.05067 0.04959 = 0.05639 -0.00034 0.00524 0.00646 AFIX 43 H36 2 0.723700 0.565769 1.038321 11.00000 -1.20000 AFIX 0 C37 1 0.591757 0.432047 0.309592 11.00000 0.04683 0.03922 = 0.05845 -0.00368 0.00280 -0.00381 C38 1 0.667586 0.386354 0.288288 11.00000 0.05706 0.04370 = 0.07134 -0.00539 -0.00523 0.00551 AFIX 43 H38 2 0.725080 0.372578 0.348787 11.00000 -1.20000 AFIX 0 C39 1 0.660515 0.360706 0.180421 11.00000 0.06742 0.06323 = 0.08744 -0.03020 -0.00106 0.01007 AFIX 43 H39 2 0.714497 0.330166 0.166630 11.00000 -1.20000 AFIX 0 C40 1 0.574869 0.379624 0.093046 11.00000 0.07502 0.07037 = 0.07281 -0.02636 -0.00108 -0.00339 AFIX 43 H40 2 0.570077 0.361866 0.019224 11.00000 -1.20000 AFIX 0 C41 1 0.497755 0.423079 0.111167 11.00000 0.08717 0.04448 = 0.05871 -0.00844 -0.01003 -0.00743 AFIX 43 H41 2 0.438444 0.435617 0.050745 11.00000 -1.20000 AFIX 0 C42 1 0.505995 0.450022 0.221696 11.00000 0.04675 0.05349 = 0.06385 -0.00101 -0.00285 -0.00348 AFIX 43 H42 2 0.451885 0.480603 0.234743 11.00000 -1.20000 AFIX 0 C43 1 0.606602 0.460880 0.424980 11.00000 0.06017 0.03365 = 0.04903 0.00108 0.00471 -0.00262 AFIX 13 H43 2 0.615349 0.433068 0.488515 11.00000 -1.20000 AFIX 0 O44 4 0.495655 0.493901 0.446096 11.00000 0.04447 0.03997 = 0.05178 -0.00017 0.00379 -0.00059 DFIX 0.84 O44 H44 H44 2 0.462277 0.488296 0.510171 11.00000 -1.20000 C45 1 0.732333 0.496756 0.429884 11.00000 0.04938 0.03620 = 0.03379 0.00233 0.00083 -0.00005 O46 4 0.838302 0.473537 0.419709 11.00000 0.03561 0.04747 = 0.04803 0.00332 0.00244 -0.00357 O47 4 0.717944 0.546925 0.448062 11.00000 0.04091 0.04337 = 0.05056 0.00060 0.00311 0.00108 C48 1 0.105864 0.656402 0.529461 11.00000 0.03886 0.04200 = 0.07690 -0.00650 -0.00431 0.00459 C49 1 0.153881 0.708320 0.524817 11.00000 0.06136 0.04425 = 0.08402 -0.01268 0.00586 -0.00202 AFIX 43 H49 2 0.189260 0.721388 0.454632 11.00000 -1.20000 AFIX 0 C50 1 0.150868 0.742625 0.624682 11.00000 0.08040 0.05034 = 0.11488 -0.02899 0.00493 -0.00987 AFIX 43 H50 2 0.182442 0.778814 0.621303 11.00000 -1.20000 AFIX 0 C51 1 0.101819 0.722765 0.725785 11.00000 0.09427 0.08434 = 0.08944 -0.02961 0.01134 -0.00239 AFIX 43 H51 2 0.101965 0.745287 0.793228 11.00000 -1.20000 AFIX 0 C52 1 0.051637 0.670260 0.732150 11.00000 0.12235 0.08583 = 0.05826 -0.01682 0.01882 0.00867 AFIX 43 H52 2 0.017446 0.656567 0.802296 11.00000 -1.20000 AFIX 0 C53 1 0.053942 0.638746 0.630744 11.00000 0.08841 0.04989 = 0.06505 -0.00821 0.01270 0.00951 AFIX 43 H53 2 0.017602 0.603292 0.632331 11.00000 -1.20000 AFIX 0 C54 1 0.112054 0.619733 0.421175 11.00000 0.04104 0.04552 = 0.05289 -0.00015 -0.00409 -0.00116 AFIX 13 H54 2 0.121098 0.643129 0.350514 11.00000 -1.20000 AFIX 0 O55 4 -0.002583 0.587328 0.404469 11.00000 0.04835 0.03903 = 0.06150 -0.00223 -0.00178 -0.00214 DFIX 0.84 O55 H55 DANG 1.89 H55 C54 H55 2 -0.039511 0.595122 0.339085 11.00000 -1.20000 C56 1 0.233489 0.583636 0.435434 11.00000 0.05058 0.04820 = 0.03062 -0.00141 0.00420 0.00596 O57 4 0.215460 0.533390 0.441214 11.00000 0.05053 0.02986 = 0.05062 -0.00038 0.00265 -0.00135 O58 4 0.342051 0.607222 0.437622 11.00000 0.04412 0.04201 = 0.04887 -0.00435 0.00188 -0.00144 PART 0 SAME N301 > O304 SAME N501 > O504 N201 3 0.513686 0.454821 0.728104 11.00000 0.05813 0.05981 = 0.05711 0.00926 0.00051 0.00725 O202 4 0.479397 0.451175 0.831296 11.00000 0.09030 0.10941 = 0.05387 0.01918 0.00626 0.01771 O203 4 0.626212 0.459957 0.704646 11.00000 0.05401 0.09335 = 0.06804 0.00414 -0.00507 -0.00659 O204 4 0.425443 0.452127 0.646453 11.00000 0.05675 0.07078 = 0.05489 0.01632 0.00024 0.00212 PART 0 PART 1 21.0 EADP N301 N501 EADP O302 O502 EADP O303 O503 EADP O304 O504 N301 3 0.004070 0.623437 0.106752 21.00000 0.06607 0.06305 = 0.05861 0.01440 0.00667 0.00626 O302 4 -0.079190 0.623976 0.186472 21.00000 0.05495 0.07337 = 0.06671 0.01003 -0.00168 0.00100 O303 4 0.116031 0.629139 0.129381 21.00000 0.04773 0.08289 = 0.10136 -0.00326 0.00699 -0.00674 O304 4 -0.038245 0.609890 0.004886 21.00000 0.09565 0.06868 = 0.07103 0.00500 -0.00432 0.00355 PART 0 PART 2 -21.0 N501 3 0.084749 0.630112 0.026065 -21.00000 0.06607 0.06305 = 0.05861 0.01440 0.00667 0.00626 O502 4 0.132269 0.614293 -0.069295 -21.00000 0.05495 0.07337 = 0.06671 0.01003 -0.00168 0.00100 O503 4 0.149323 0.637649 0.112506 -21.00000 0.04773 0.08289 = 0.10136 -0.00326 0.00699 -0.00674 O504 4 -0.038071 0.638315 0.016711 -21.00000 0.09565 0.06868 = 0.07103 0.00500 -0.00432 0.00355 O505 4 -0.116826 0.634155 0.249469 -21.00000 0.09302 0.02297 = 0.07072 0.00734 -0.01084 -0.01251 PART 0 PART 0 C101 1 -0.421022 0.731835 -0.115224 11.00000 0.16012 0.05716 = 0.09465 0.00121 -0.01175 0.01428 C102 1 -0.458830 0.723599 -0.006021 11.00000 0.13708 0.05887 = 0.11127 -0.00381 0.00146 -0.00849 AFIX 43 H102 2 -0.548939 0.716488 0.005314 11.00000 -1.20000 AFIX 0 C103 1 -0.362851 0.725074 0.103175 11.00000 0.11854 0.07095 = 0.10665 0.00922 0.00005 -0.00251 AFIX 23 H10A 2 -0.405317 0.743897 0.168025 11.00000 -1.20000 H10B 2 -0.342675 0.687526 0.128804 11.00000 -1.20000 AFIX 0 C104 1 -0.235853 0.754162 0.076649 11.00000 0.09842 0.06800 = 0.12209 0.01580 -0.01495 0.00457 C105 1 -0.183337 0.732652 -0.034451 11.00000 0.13694 0.09007 = 0.11473 -0.00995 0.01862 0.02064 AFIX 23 H10C 2 -0.166824 0.693246 -0.026134 11.00000 -1.20000 H10D 2 -0.098797 0.750597 -0.049168 11.00000 -1.20000 AFIX 0 C106 1 -0.282426 0.742812 -0.141428 11.00000 0.16572 0.07811 = 0.08225 -0.00646 0.00978 0.01104 AFIX 23 H10E 2 -0.274579 0.781003 -0.166924 11.00000 -1.20000 H10F 2 -0.257770 0.719409 -0.207340 11.00000 -1.20000 AFIX 0 C107 1 -0.528151 0.729201 -0.212749 11.00000 0.25723 0.06248 = 0.11040 -0.00061 -0.04099 0.01506 AFIX 137 H10G 2 -0.525774 0.762299 -0.260082 11.00000 -1.50000 H10H 2 -0.614093 0.726001 -0.178198 11.00000 -1.50000 H10I 2 -0.513281 0.697615 -0.262502 11.00000 -1.50000 AFIX 0 C108 1 -0.254657 0.815897 0.072830 11.00000 0.10022 0.07138 = 0.11684 0.01155 -0.01087 -0.00494 AFIX 13 H108 2 -0.335599 0.823560 0.023096 11.00000 -1.20000 AFIX 0 C109 1 -0.278234 0.835202 0.192857 11.00000 0.28180 0.04905 = 0.11536 -0.00710 0.03115 -0.03775 AFIX 137 H10J 2 -0.270845 0.874814 0.195491 11.00000 -1.50000 H10K 2 -0.213013 0.819160 0.248022 11.00000 -1.50000 H10L 2 -0.366439 0.824401 0.214455 11.00000 -1.50000 AFIX 0 C110 1 -0.141553 0.846172 0.019869 11.00000 0.15106 0.10050 = 0.21523 0.04659 -0.03291 -0.03872 AFIX 137 H11A 2 -0.141728 0.838983 -0.064465 11.00000 -1.50000 H11B 2 -0.058363 0.833844 0.056879 11.00000 -1.50000 H11C 2 -0.151714 0.885188 0.033076 11.00000 -1.50000 AFIX 0 O111 4 -0.139277 0.742386 0.174838 11.00000 0.12832 0.07171 = 0.16790 0.00520 -0.03524 0.00125 AFIX 147 H111 2 -0.150267 0.710550 0.198672 11.00000 -1.50000 AFIX 0 PART 0 PART 1 31.0 EADP C401 C601 EADP C402 C602 EADP C403 C603 EADP O404 O604 SIMU C401 > O404 ISOR C401 > O404 DFIX 1.54 C401 C402 C402 C403 DFIX 1.43 C402 O404 DANG 2.51 C401 C403 DANG 2.43 O404 C401 O404 C403 C401 1 0.308811 0.821563 0.268690 31.00000 0.12377 0.16283 = 0.30364 0.11080 -0.06466 -0.06534 AFIX 33 H40A 2 0.364450 0.843073 0.218507 31.00000 -1.50000 H40B 2 0.292190 0.842045 0.340021 31.00000 -1.50000 H40C 2 0.353327 0.787483 0.289661 31.00000 -1.50000 AFIX 0 C402 1 0.177951 0.809172 0.202710 31.00000 0.08907 0.22003 = 0.21957 0.10883 -0.00902 0.00238 AFIX 13 H402 2 0.132067 0.844152 0.184011 31.00000 -1.20000 AFIX 0 C403 1 0.195109 0.777870 0.088647 31.00000 0.17697 0.20227 = 0.23758 -0.04308 0.05932 -0.03582 AFIX 33 H40D 2 0.249464 0.799108 0.036848 31.00000 -1.50000 H40E 2 0.237903 0.743050 0.106211 31.00000 -1.50000 H40F 2 0.108938 0.771422 0.049895 31.00000 -1.50000 AFIX 0 O404 4 0.100361 0.778529 0.275812 31.00000 0.12259 0.11734 = 0.10597 0.02086 -0.02250 0.01115 AFIX 147 H404 2 0.080221 0.749059 0.242836 31.00000 -1.50000 AFIX 0 PART 0 PART 2 -31.0 DFIX 1.54 C601 C602 C602 C603 DFIX 1.43 C602 O604 DANG 2.51 C601 C603 DANG 2.43 O604 C601 O604 C603 C601 1 0.272664 0.830056 0.366549 -31.00000 0.12377 0.16283 = 0.30364 0.11080 -0.06466 -0.06534 AFIX 33 H60A 2 0.364985 0.839180 0.356338 -31.00000 -1.50000 H60B 2 0.225421 0.862477 0.390921 -31.00000 -1.50000 H60C 2 0.266868 0.801905 0.426632 -31.00000 -1.50000 AFIX 0 C602 1 0.211027 0.809040 0.250055 -31.00000 0.08907 0.22003 = 0.21957 0.10883 -0.00902 0.00238 AFIX 13 H602 2 0.220135 0.837100 0.187759 -31.00000 -1.20000 AFIX 0 C603 1 0.269532 0.755078 0.209751 -31.00000 0.17697 0.20227 = 0.23758 -0.04308 0.05932 -0.03582 AFIX 33 H60D 2 0.364017 0.759455 0.200489 -31.00000 -1.50000 H60E 2 0.254686 0.726993 0.268387 -31.00000 -1.50000 H60F 2 0.227195 0.744379 0.134679 -31.00000 -1.50000 AFIX 0 O604 4 0.077800 0.795097 0.258374 -31.00000 0.12259 0.11734 = 0.10597 0.02086 -0.02250 0.01115 AFIX 83 H604 2 0.068559 0.761565 0.247987 -31.00000 -1.50000 AFIX 0 HKLF 5 REM exp_1983_twin1_hklf4_a.res in P2(1) REM wR2 = 0.3341, GooF = S = 1.038, Restrained GooF = 1.038 for all data REM R1 = 0.1188 for 20408 Fo > 4sig(Fo) and 0.1281 for all 23229 data REM 795 parameters refined using 76 restraints END WGHT 0.2000 0.0000 REM Highest difference peak 1.877, deepest hole -0.712, 1-sigma level 0.138 Q1 1 0.9300 0.4975 0.4332 11.00000 0.05 1.88 Q2 1 0.4366 0.5829 0.4384 11.00000 0.05 1.83 Q3 1 1.1218 0.5006 0.4353 11.00000 0.05 1.60 Q4 1 0.6271 0.5811 0.4446 11.00000 0.05 1.58 Q5 1 0.1173 0.5814 0.4297 11.00000 0.05 0.83 Q6 1 1.0258 0.4995 -0.3235 11.00000 0.05 0.82 Q7 1 1.0362 0.5019 0.5194 11.00000 0.05 0.81 Q8 1 0.5343 0.5828 0.5334 11.00000 0.05 0.76 Q9 1 0.6090 0.4969 0.4401 11.00000 0.05 0.76 Q10 1 0.5435 0.5839 0.6924 11.00000 0.05 0.67 Q11 1 0.2844 0.5394 0.4420 11.00000 0.05 0.65 Q12 1 0.4343 0.5892 1.2539 11.00000 0.05 0.65 Q13 1 0.5261 0.5918 1.0577 11.00000 0.05 0.64 Q14 1 0.4833 0.5843 0.6462 11.00000 0.05 0.62 Q15 1 0.5753 0.4710 0.4380 11.00000 0.05 0.62 Q16 1 1.0443 0.4954 0.0431 11.00000 0.05 0.60 Q17 1 0.5429 0.5871 0.8498 11.00000 0.05 0.59 Q18 1 0.7514 0.4651 0.4216 11.00000 0.05 0.56 Q19 1 -0.0888 0.5876 0.4244 11.00000 0.05 0.55 Q20 1 0.9439 0.4991 -0.3347 11.00000 0.05 0.54 Q21 1 0.5314 0.5838 0.3555 11.00000 0.05 0.53 Q22 1 0.9460 0.4824 0.0428 11.00000 0.05 0.52 Q23 1 0.7725 0.5405 0.4368 11.00000 0.05 0.51 Q24 1 0.0616 0.6125 0.0050 11.00000 0.05 0.48 Q25 1 1.1177 0.4862 0.2210 11.00000 0.05 0.47 Q26 1 0.9472 0.4860 -0.1186 11.00000 0.05 0.47 Q27 1 1.0265 0.4982 0.3334 11.00000 0.05 0.47 Q28 1 0.9521 0.4885 0.0094 11.00000 0.05 0.47 Q29 1 0.0523 0.5485 0.4431 11.00000 0.05 0.46 Q30 1 0.0418 0.6018 -0.0793 11.00000 0.05 0.46 Q31 1 0.2171 0.4999 0.4322 11.00000 0.05 0.44 Q32 1 0.0209 0.6225 0.1919 11.00000 0.05 0.44 Q33 1 0.6406 0.5866 0.6227 11.00000 0.05 0.44 Q34 1 0.5259 0.4582 0.6578 11.00000 0.05 0.44 Q35 1 0.1607 0.6810 0.0822 11.00000 0.05 0.43 Q36 1 0.2868 0.4992 0.4360 11.00000 0.05 0.43 Q37 1 0.1631 0.6968 0.1417 11.00000 0.05 0.42 Q38 1 0.7162 0.5827 0.4367 11.00000 0.05 0.41 Q39 1 0.4386 0.4598 0.7346 11.00000 0.05 0.41 Q40 1 1.1192 0.4971 -0.3493 11.00000 0.05 0.41 Q41 1 0.3317 0.5942 1.0421 11.00000 0.05 0.41 Q42 1 0.6160 0.5836 1.0653 11.00000 0.05 0.40 Q43 1 0.6204 0.5927 1.2334 11.00000 0.05 0.40 Q44 1 0.8051 0.5843 0.4309 11.00000 0.05 0.40 Q45 1 0.9341 0.4982 0.2029 11.00000 0.05 0.40 Q46 1 0.7526 0.5800 0.8182 11.00000 0.05 0.38 Q47 1 -0.0799 0.6219 0.0903 11.00000 0.05 0.37 Q48 1 0.1859 0.7185 -0.0009 11.00000 0.05 0.37 Q49 1 0.5345 0.5263 0.4375 11.00000 0.05 0.37 Q50 1 0.1507 0.7089 -0.0176 11.00000 0.05 0.37 Q51 1 0.5620 0.4492 0.8270 11.00000 0.05 0.36 Q52 1 0.3574 0.6039 0.5173 11.00000 0.05 0.36 Q53 1 -0.2464 0.7284 0.2125 11.00000 0.05 0.36 Q54 1 0.1622 0.8789 0.1934 11.00000 0.05 0.35 Q55 1 1.0275 0.4493 0.4384 11.00000 0.05 0.35 Q56 1 -0.2491 0.7495 0.1647 11.00000 0.05 0.35 Q57 1 0.1727 0.7582 0.2018 11.00000 0.05 0.35 Q58 1 1.0202 0.4611 0.1880 11.00000 0.05 0.34 Q59 1 1.2394 0.5058 0.1634 11.00000 0.05 0.33 Q60 1 0.1477 0.7575 0.4934 11.00000 0.05 0.33 Q61 1 0.6447 0.3487 0.4515 11.00000 0.05 0.33 Q62 1 -0.3569 0.7285 0.1982 11.00000 0.05 0.33 Q63 1 -0.1660 0.6279 0.1968 11.00000 0.05 0.33 Q64 1 0.2416 0.8523 0.4191 11.00000 0.05 0.33 Q65 1 0.1446 0.5989 0.7054 11.00000 0.05 0.32 Q66 1 -0.0430 0.6043 -0.0950 11.00000 0.05 0.31 Q67 1 -0.0362 0.5807 0.0562 11.00000 0.05 0.31 Q68 1 0.1918 0.8621 0.1395 11.00000 0.05 0.31 Q69 1 1.1439 0.1336 0.5655 11.00000 0.05 0.31 Q70 1 1.1596 0.1689 0.5374 11.00000 0.05 0.31 Q71 1 0.5083 0.4399 0.3064 11.00000 0.05 0.31 Q72 1 0.9333 0.4699 0.2388 11.00000 0.05 0.31 Q73 1 -0.4453 0.7424 0.1761 11.00000 0.05 0.31 Q74 1 0.0534 0.7390 0.4886 11.00000 0.05 0.31 Q75 1 0.1633 0.8427 0.2649 11.00000 0.05 0.30 Q76 1 0.6346 0.4572 0.5131 11.00000 0.05 0.30 Q77 1 -0.0380 0.9104 -0.0604 11.00000 0.05 0.30 Q78 1 -0.1647 0.8179 0.2990 11.00000 0.05 0.30 Q79 1 -0.0743 0.7390 0.2429 11.00000 0.05 0.30 Q80 1 0.6373 0.5838 0.9984 11.00000 0.05 0.30 Q81 1 0.4983 0.6191 1.1842 11.00000 0.05 0.30 Q82 1 0.7127 0.4488 0.7130 11.00000 0.05 0.29 Q83 1 1.0680 0.3250 0.6846 11.00000 0.05 0.29 Q84 1 1.3017 0.1210 0.5608 11.00000 0.05 0.29 Q85 1 -0.0016 0.6030 0.7930 11.00000 0.05 0.29 Q86 1 0.4732 0.4477 0.8934 11.00000 0.05 0.29 Q87 1 0.1381 0.5885 -0.1159 11.00000 0.05 0.29 Q88 1 1.1922 0.5512 0.0567 11.00000 0.05 0.29 Q89 1 0.3343 0.4550 0.6518 11.00000 0.05 0.29 Q90 1 0.3786 0.4528 0.8268 11.00000 0.05 0.29 Q91 1 0.4582 0.5962 0.8843 11.00000 0.05 0.28 Q92 1 -0.0156 0.5868 0.2105 11.00000 0.05 0.28 Q93 1 0.2442 0.6391 0.7377 11.00000 0.05 0.28 Q94 1 0.7618 0.5115 1.0252 11.00000 0.05 0.28 Q95 1 -0.1180 0.8427 -0.1630 11.00000 0.05 0.28 Q96 1 0.9601 0.4032 0.0546 11.00000 0.05 0.28 Q97 1 0.4593 0.4976 0.2139 11.00000 0.05 0.28 Q98 1 -0.6422 0.7323 -0.0154 11.00000 0.05 0.28 Q99 1 1.2194 0.1206 0.5733 11.00000 0.05 0.28 Q100 1 0.7471 0.4826 0.3401 11.00000 0.05 0.28 Q101 1 -0.0552 0.6283 0.3494 11.00000 0.05 0.28 Q102 1 0.1577 0.6315 -0.1400 11.00000 0.05 0.28 Q103 1 0.3423 0.5780 1.2063 11.00000 0.05 0.27 Q104 1 -0.2103 0.8603 -0.1693 11.00000 0.05 0.27 Q105 1 1.5509 0.1810 0.4983 11.00000 0.05 0.27 Q106 1 1.6659 0.1978 0.5534 11.00000 0.05 0.27 Q107 1 -0.1243 0.8227 0.2203 11.00000 0.05 0.27 Q108 1 0.1230 0.5932 -0.2254 11.00000 0.05 0.27 Q109 1 0.1531 0.7365 0.8762 11.00000 0.05 0.27 Q110 1 0.2483 0.8317 0.4995 11.00000 0.05 0.27 Q111 1 0.2146 0.7621 0.1022 11.00000 0.05 0.27 Q112 1 0.5396 0.4971 0.2454 11.00000 0.05 0.27 Q113 1 0.1604 0.6388 0.7601 11.00000 0.05 0.27 Q114 1 0.9117 0.4417 0.4360 11.00000 0.05 0.27 Q115 1 0.9834 0.4168 0.1377 11.00000 0.05 0.27 Q116 1 0.3484 0.4911 0.6930 11.00000 0.05 0.27 Q117 1 -0.1333 0.8511 -0.1816 11.00000 0.05 0.27 Q118 1 0.1563 0.6225 -0.0130 11.00000 0.05 0.26 Q119 1 0.4524 0.4343 0.8179 11.00000 0.05 0.26 Q120 1 0.5656 0.3473 -0.0130 11.00000 0.05 0.26 Q121 1 1.1511 0.4392 -0.2735 11.00000 0.05 0.26 Q122 1 0.4606 0.6152 0.6415 11.00000 0.05 0.26 Q123 1 -0.6654 0.7305 -0.1529 11.00000 0.05 0.26 Q124 1 0.8482 0.4617 0.3268 11.00000 0.05 0.26 Q125 1 0.8406 0.4885 -0.3052 11.00000 0.05 0.26 Q126 1 0.6596 0.3425 0.0164 11.00000 0.05 0.26 Q127 1 0.9566 0.4079 0.1230 11.00000 0.05 0.26 Q128 1 0.7424 0.3182 0.1191 11.00000 0.05 0.26 Q129 1 1.3840 0.3587 0.4331 11.00000 0.05 0.26 Q130 1 0.2350 0.6008 0.0826 11.00000 0.05 0.26 Q131 1 0.1640 0.6019 0.0356 11.00000 0.05 0.26 Q132 1 0.2551 0.8397 0.0473 11.00000 0.05 0.26 Q133 1 0.4585 0.6376 1.0224 11.00000 0.05 0.26 Q134 1 0.5792 0.3657 -0.0135 11.00000 0.05 0.26 Q135 1 0.9798 0.3738 0.2063 11.00000 0.05 0.26 Q136 1 0.3383 0.5873 1.2546 11.00000 0.05 0.26 Q137 1 -0.1739 0.8932 -0.1514 11.00000 0.05 0.26 Q138 1 -0.7389 0.7413 -0.1563 11.00000 0.05 0.25 Q139 1 0.4557 0.4823 0.2764 11.00000 0.05 0.25 Q140 1 0.3117 0.8029 0.0574 11.00000 0.05 0.25 Q141 1 0.8603 0.5682 0.7727 11.00000 0.05 0.25 Q142 1 1.2204 0.5296 0.0443 11.00000 0.05 0.25 Q143 1 -0.1363 0.9076 -0.0774 11.00000 0.05 0.25 Q144 1 -0.2367 0.6321 0.2643 11.00000 0.05 0.25 Q145 1 0.0303 0.6587 0.4747 11.00000 0.05 0.25 Q146 1 0.3507 0.6385 1.0101 11.00000 0.05 0.25 Q147 1 0.4555 0.6284 1.1352 11.00000 0.05 0.25 Q148 1 0.7459 0.4971 -0.1967 11.00000 0.05 0.25 Q149 1 0.3734 0.7597 0.4685 11.00000 0.05 0.25 Q150 1 0.2383 0.7309 0.5775 11.00000 0.05 0.25 Q151 1 0.0746 0.7483 0.6513 11.00000 0.05 0.25 Q152 1 0.9317 0.5694 -0.2017 11.00000 0.05 0.25 Q153 1 -0.0442 0.7425 0.1626 11.00000 0.05 0.25 Q154 1 -0.5822 0.7071 0.0740 11.00000 0.05 0.25 Q155 1 1.3803 0.2087 0.5092 11.00000 0.05 0.25 Q156 1 1.0311 0.4235 0.4456 11.00000 0.05 0.25 Q157 1 0.6588 0.3829 0.0943 11.00000 0.05 0.25 Q158 1 0.8515 0.5545 -0.2219 11.00000 0.05 0.25 Q159 1 1.0465 0.4197 0.6184 11.00000 0.05 0.25 Q160 1 0.6725 0.4310 0.3123 11.00000 0.05 0.24 Q161 1 0.5695 0.4002 0.3010 11.00000 0.05 0.24 Q162 1 1.0406 0.2424 0.4633 11.00000 0.05 0.24 Q163 1 0.5366 0.4193 0.4134 11.00000 0.05 0.24 Q164 1 0.2589 0.6375 1.0430 11.00000 0.05 0.24 Q165 1 0.1073 0.7220 0.2060 11.00000 0.05 0.24 Q166 1 0.9494 0.4204 0.1973 11.00000 0.05 0.24 Q167 1 0.4720 0.4718 0.0469 11.00000 0.05 0.24 Q168 1 0.8627 0.5775 0.8506 11.00000 0.05 0.24 Q169 1 0.7308 0.4103 0.4158 11.00000 0.05 0.24 Q170 1 1.4478 0.1979 0.4441 11.00000 0.05 0.24 Q171 1 0.3565 0.5082 0.1831 11.00000 0.05 0.23 Q172 1 -0.3369 0.7440 0.1004 11.00000 0.05 0.23 Q173 1 -0.4463 0.6393 0.1237 11.00000 0.05 0.23 Q174 1 0.3797 0.4984 0.7820 11.00000 0.05 0.23 Q175 1 0.3567 0.5440 0.8320 11.00000 0.05 0.23 Q176 1 0.4834 0.4908 0.0507 11.00000 0.05 0.23 Q177 1 -0.2598 0.6828 -0.3405 11.00000 0.05 0.23 Q178 1 0.6458 0.4796 0.3444 11.00000 0.05 0.23 Q179 1 0.2799 0.7398 -0.0525 11.00000 0.05 0.23 Q180 1 0.8821 0.3788 0.1898 11.00000 0.05 0.23 Q181 1 1.2667 0.2846 0.4988 11.00000 0.05 0.23 Q182 1 1.2341 0.5084 -0.1859 11.00000 0.05 0.23 Q183 1 0.3398 0.6253 0.8016 11.00000 0.05 0.23 Q184 1 -0.3873 0.6654 -0.3243 11.00000 0.05 0.23 Q185 1 0.6401 0.5170 0.7338 11.00000 0.05 0.23 Q186 1 0.4487 0.3395 0.0478 11.00000 0.05 0.23 Q187 1 0.4110 0.4664 0.2197 11.00000 0.05 0.23 Q188 1 1.2479 0.4813 0.0196 11.00000 0.05 0.23 Q189 1 0.4513 0.4464 -0.0170 11.00000 0.05 0.23 Q190 1 0.1371 0.8993 0.1215 11.00000 0.05 0.23 Q191 1 0.6381 0.3761 -0.0096 11.00000 0.05 0.23 Q192 1 -0.4271 0.7394 0.2523 11.00000 0.05 0.23 Q193 1 -0.0468 0.5541 0.5410 11.00000 0.05 0.22 Q194 1 0.8625 0.3984 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241.036 43.0652 1 -7 -9 9 1845.77 53.1947 1 -7 -9 8 378.714 53.5056 1 -7 -9 7 982.435 57.6240 1 -7 -9 6 3938.61 59.2743 1 -7 -9 5 887.356 60.2404 1 -7 -9 4 116.852 45.5225 1 -7 -9 3 1433.00 50.4005 1 -7 -9 2 562.382 38.6604 1 -7 -9 1 7091.59 54.6236 1 -7 -9 0 3969.76 60.3573 1 7 -9 1 1773.82 43.2943 1 7 -9 2 3199.78 41.2996 1 7 -9 3 567.810 41.3207 1 7 -9 4 79.0574 36.8868 1 7 -9 5 347.117 33.1484 1 7 -9 6 21.2938 30.3339 1 7 -9 7 1154.52 31.5387 1 7 -9 8 748.293 31.8548 1 7 -9 9 245.148 29.7530 1 7 -9 10 203.329 23.2494 1 -7 -8 11 1437.63 55.2563 1 -7 -8 10 912.712 36.1314 1 -7 -8 9 499.786 42.0685 1 -7 -8 8 473.729 41.3794 1 -7 -8 7 655.904 54.1245 1 -7 -8 6 3431.90 55.7060 1 -7 -8 5 4816.78 65.5007 1 -7 -8 4 6278.23 64.1271 1 -7 -8 3 677.376 49.1758 1 -7 -8 2 939.973 43.8723 1 -7 -8 1 348.539 45.0300 1 -7 -8 0 2782.07 57.9145 1 7 -8 1 176.959 38.3495 1 7 -8 2 3388.70 46.3560 1 7 -8 3 6316.95 49.9270 1 7 -8 4 5785.14 45.0340 1 7 -8 5 6611.60 45.2241 1 7 -8 6 974.842 30.0893 1 7 -8 7 628.149 29.0470 1 7 -8 8 62.6773 29.5001 1 7 -8 9 329.853 28.3207 1 7 -8 10 351.736 31.5201 1 -7 -7 11 451.377 54.6309 1 -7 -7 10 915.942 39.4626 1 -7 -7 9 2538.99 49.2685 1 -7 -7 8 1555.09 48.7811 1 -7 -7 7 3433.26 53.6159 1 -7 -7 6 2432.07 61.1589 1 -7 -7 5 1010.56 56.2876 1 -7 -7 4 743.702 42.9972 1 -7 -7 3 3378.25 52.8395 1 -7 -7 2 3483.57 48.4060 1 7 -7 -1 10818.0 60.6602 1 7 -7 0 21192.6 89.4164 1 7 -7 1 4583.55 49.8877 1 7 -7 2 4068.58 44.3982 1 7 -7 3 627.724 45.0281 1 7 -7 4 380.327 32.4949 1 7 -7 5 3826.89 36.9402 1 7 -7 6 3822.29 34.7746 1 7 -7 7 1380.35 30.9581 1 7 -7 8 1596.47 31.9439 1 7 -7 9 907.133 33.1513 1 7 -7 10 117.377 26.5604 1 -7 -6 11 1553.98 41.2234 1 -7 -6 10 761.392 41.3869 1 -7 -6 9 87.5148 50.5686 1 -7 -6 8 627.841 47.9547 1 -7 -6 7 1216.91 52.0359 1 -7 -6 6 7066.15 64.3086 1 -7 -6 5 14172.8 76.7075 1 -7 -6 4 13048.5 63.2158 1 -7 -6 3 5006.29 55.3012 1 7 -6 -2 4209.26 57.7301 1 -7 -6 1 1224.88 44.4062 1 -7 -6 0 871.968 51.6128 1 7 -6 1 699.466 48.8287 1 -7 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624.735 53.5976 1 -7 1 6 282.514 52.2680 1 -7 1 5 157.036 48.5372 1 -7 1 4 598.893 47.8308 1 -7 1 3 88.3594 39.7044 1 -7 1 2 313.393 37.7027 1 7 1 -1 596.975 47.4093 1 7 1 0 620.696 36.0780 1 7 1 1 82.6598 36.7119 1 -7 1 -2 577.661 37.3434 1 7 1 3 247.989 32.4425 1 7 1 4 105.841 35.6989 1 7 1 5 388.866 44.7551 1 7 1 6 362.126 59.2478 1 7 1 7 418.147 49.9366 1 7 1 8 88.3125 42.5374 1 7 1 9 244.386 41.7575 1 7 1 10 51.7197 33.3365 1 7 1 11 419.480 16.9442 1 -7 2 11 344.780 45.9390 1 -7 2 10 370.683 53.8915 1 -7 2 9 603.631 76.0789 1 -7 2 8 445.684 58.8939 1 -7 2 7 274.340 49.8563 1 -7 2 6 776.673 51.4080 1 -7 2 5 2299.86 55.1708 1 -7 2 4 1135.63 53.1700 1 -7 2 3 2239.62 43.6179 1 -7 2 2 901.303 46.5494 1 7 2 -1 189.021 40.3211 1 7 2 0 54.1748 38.7914 1 7 2 1 209.007 34.3803 1 7 2 2 1601.04 40.0592 1 7 2 3 233.970 36.9366 1 7 2 4 67.0884 39.3089 1 7 2 5 66.3143 42.9268 1 7 2 6 251.023 50.0485 1 7 2 7 119.848 47.7548 1 7 2 8 42.3214 42.2129 1 7 2 9 282.183 34.3985 1 7 2 10 425.252 34.2388 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1624.45 217.134 2 0 -15 -7 72.3568 80.5258 2 0 -15 -8 238.662 73.8364 2 0 -15 9 183.706 69.8967 2 0 -15 -10 323.720 108.149 2 0 -15 -11 231.179 71.7200 2 0 -14 -3 610.996 91.4113 2 0 -14 -4 390.098 61.3999 2 0 -14 -5 2077.88 72.1549 2 0 -14 -6 1237.41 217.713 2 0 -14 -7 1400.25 203.279 2 0 -14 9 1816.49 84.4428 2 0 -14 -10 446.658 119.828 2 0 -14 -11 665.773 83.1371 2 0 -13 -4 6432.11 81.6954 2 0 -13 -5 9359.99 88.5022 2 0 -13 -6 3487.66 221.129 2 0 -13 -7 154.716 199.310 2 0 -13 9 326.407 87.2786 2 0 -13 10 446.303 72.1220 2 0 -13 -11 2337.05 98.9838 2 0 -12 -4 333.265 272.729 2 0 -12 -5 2384.66 68.3325 2 0 -12 -6 2280.16 210.593 2 0 -12 -7 1836.99 203.254 2 0 -12 10 150.430 78.9351 2 0 -12 -11 134.888 49.7767 2 0 -12 12 78.3920 62.3981 2 0 -11 -4 9237.50 323.288 2 0 -11 -5 21545.3 157.669 2 0 -11 -11 1296.79 58.5348 2 0 -11 12 133.038 70.4159 2 0 -10 -4 1010.50 264.857 2 0 -10 -5 3560.61 277.736 2 0 -10 9 1145.10 124.841 2 0 -10 10 598.627 114.287 2 0 -10 -11 487.713 102.258 2 0 -10 12 64.6607 49.3182 2 0 -10 13 14.2564 46.7700 2 0 -9 -3 16546.8 322.093 2 0 -9 -4 14643.0 314.734 2 0 -9 -5 19476.9 335.226 2 0 -9 9 1267.99 126.019 2 0 -9 10 395.905 115.426 2 0 -9 11 3592.17 112.756 2 0 -9 12 67.8268 56.2974 2 0 -9 13 123.296 32.2467 2 0 -8 -4 6611.72 266.661 2 0 -8 -5 18252.4 326.355 2 0 -8 8 2936.21 165.402 2 0 -8 9 631.551 126.402 2 0 -8 10 802.826 117.459 2 0 -8 11 1237.16 82.5635 2 0 -8 12 581.573 74.1066 2 0 -8 13 97.7748 24.8716 2 0 -7 -3 3858.55 209.446 2 0 -7 -4 10770.2 257.281 2 0 -7 -5 12740.3 272.404 2 0 -7 8 2115.27 107.547 2 0 -7 10 600.334 68.9550 2 0 -7 11 1028.13 66.8966 2 0 -7 12 169.095 49.7980 2 0 -7 13 51.3916 27.9608 2 0 -6 -3 2981.11 170.684 2 0 -6 -4 3777.28 187.716 2 0 -6 -5 5850.68 214.031 2 0 -6 7 259.314 128.680 2 0 -6 9 99.6375 77.6699 2 0 -6 10 288.923 64.3932 2 0 -6 11 774.185 55.5839 2 0 -6 12 506.167 53.1195 2 0 -6 13 141.442 41.7540 2 0 -5 -3 1156.53 140.847 2 0 -5 -4 6414.56 182.874 2 0 -5 8 445.739 130.539 2 0 -5 -9 314.555 60.0738 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2 0 3 3 17989.6 215.283 2 0 3 4 33832.2 314.819 2 0 3 5 65524.6 465.329 2 0 3 6 1322.09 153.999 2 0 3 7 1589.33 50.4724 2 0 3 8 613.704 36.1623 2 0 3 9 708.299 42.4071 2 0 3 10 865.192 66.2312 2 0 3 11 3046.62 63.0853 2 0 3 12 1199.27 47.5615 2 0 3 13 501.343 31.6318 2 0 3 14 78.4040 33.0402 2 0 4 2 5422.24 134.037 2 0 4 3 3389.05 141.713 2 0 4 4 1051.35 97.5169 2 0 4 5 5563.32 162.416 2 0 4 6 1773.28 156.436 2 0 4 7 337.518 33.7298 2 0 4 8 3429.59 37.7000 2 0 4 9 826.791 41.3867 2 0 4 10 249.366 64.5880 2 0 4 11 1269.40 66.8856 2 0 4 12 235.165 48.0941 2 0 4 13 93.7820 37.4865 2 0 4 14 86.4473 31.7837 2 0 5 3 411.066 99.2212 2 0 5 4 3736.06 103.231 2 0 5 5 2502.40 141.701 2 0 5 6 1857.46 157.226 2 0 5 7 706.581 36.9526 2 0 5 8 348.535 35.5433 2 0 5 9 160.573 38.0337 2 0 5 10 573.949 51.1455 2 0 5 11 693.255 65.4736 2 0 5 12 270.587 59.7006 2 0 5 13 9.20997 36.3731 2 0 5 14-124.874 46.3063 2 0 6 3 1480.73 115.569 2 0 6 4 2088.04 85.6891 2 0 6 5 3829.92 116.239 2 0 6 6 284.219 140.855 2 0 6 7 120.512 31.8160 2 0 6 8 115.064 34.7968 2 0 6 9 123.467 43.1277 2 0 6 10 165.963 46.7127 2 0 6 11 589.180 65.3233 2 0 6 12 162.725 48.8985 2 0 6 13 108.313 36.0832 2 0 7 2 2544.99 141.445 2 0 7 3 2014.08 167.465 2 0 7 4 8253.98 125.421 2 0 7 5 11614.1 131.469 2 0 7 6 578.729 109.858 2 0 7 7 231.043 33.5322 2 0 7 8 1518.59 37.4970 2 0 7 9 349.141 42.8874 2 0 7 10 216.048 51.8126 2 0 7 11 841.686 89.4707 2 0 7 12 242.571 49.3931 2 0 7 13 18.6821 38.6356 2 0 8 2 2407.23 146.326 2 0 8 3 1224.66 177.672 2 0 8 4 3603.82 227.496 2 0 8 5 15499.7 176.111 2 0 8 6 462.698 59.8697 2 0 8 7 1860.35 39.0447 2 0 8 8 1874.91 37.2679 2 0 8 9 529.380 39.4050 2 0 8 10 295.548 46.2170 2 0 8 11 735.301 88.9889 2 0 8 12 328.202 66.4080 2 0 8 13 201.761 37.3200 2 0 9 2 5250.19 175.917 2 0 9 3 9405.70 241.873 2 0 9 4 12120.3 207.045 2 0 9 5 20021.7 242.395 2 0 9 6 1116.42 40.3251 2 0 9 7 140.437 37.2970 2 0 9 8 1060.33 41.6548 2 0 9 9 745.849 38.4092 2 0 9 10 228.573 44.3984 2 0 9 11 2254.91 68.5634 2 0 9 12 663.367 66.4459 2 0 9 13 128.523 60.1830 2 0 10 2 5954.37 194.753 2 0 10 3 250.757 133.228 2 0 10 4 595.443 118.606 2 0 10 5 3331.72 142.255 2 0 10 6 3216.74 46.1426 2 0 10 7 3949.72 44.5259 2 0 10 8 4155.19 47.0037 2 0 10 9 1364.27 41.5727 2 0 10 10 141.488 41.7300 2 0 10 11 339.711 52.0413 2 0 10 12 140.162 43.2166 2 0 10 13 159.158 52.2210 2 0 11 2 12437.6 180.125 2 0 11 3 8358.30 147.789 2 0 11 4 7740.62 139.769 2 0 11 5 20105.8 211.493 2 0 11 6 2760.08 47.5605 2 0 11 7 181.847 40.5888 2 0 11 8 229.261 41.4938 2 0 11 9 131.613 38.9557 2 0 11 10 553.843 44.2351 2 0 11 11 1414.65 41.7478 2 0 11 12 517.583 42.1184 2 0 11 13 156.314 28.6499 2 0 12 2 5576.65 159.940 2 0 12 3 2121.94 153.219 2 0 12 4 355.334 116.336 2 0 12 5 2817.43 76.5814 2 0 12 6 1646.82 46.0880 2 0 12 7 1893.48 44.9336 2 0 12 8 3101.68 49.4798 2 0 12 9 1355.71 40.4746 2 0 12 10 193.411 37.7165 2 0 12 11 187.098 39.8180 2 0 12 12 56.5998 36.9899 2 0 12 13 34.2886 21.9935 2 0 13 1 305.242 169.414 2 0 13 2 5268.50 163.316 2 0 13 3 3595.18 141.532 2 0 13 4 6535.17 144.394 2 0 13 5 8912.92 69.7329 2 0 13 6 1929.05 48.1015 2 0 13 7 616.711 42.1549 2 0 13 8 342.010 44.7116 2 0 13 9 239.850 39.8022 2 0 13 10 299.207 35.5031 2 0 13 11 1184.98 39.8346 2 0 13 12 356.294 30.4719 2 0 14 1 5669.88 205.353 2 0 14 2 754.854 144.142 2 0 14 3 344.575 129.277 2 0 14 4 519.119 89.7311 2 0 14 5 1204.31 54.8661 2 0 14 6 949.445 47.1138 2 0 14 7 976.832 43.8948 2 0 14 8 764.365 46.8672 2 0 14 9 1112.94 40.4970 2 0 14 10 271.746 37.1146 2 0 14 11 367.435 35.2622 2 0 14 12 31.6367 33.3628 2 0 15 1 5973.96 273.287 2 0 15 2 564.144 234.631 2 0 15 3 357.173 166.853 2 0 15 4 396.384 180.702 2 0 15 5 1601.24 64.6377 2 0 15 6 799.513 51.0696 2 0 15 7 53.8055 43.6986 2 0 15 8 99.0218 45.4355 2 0 15 9 75.7450 40.5208 2 0 15 10 223.557 34.8788 2 0 15 11 102.257 29.8013 2 0 15 12 50.1420 28.0968 2 0 16 1 3605.03 267.090 2 0 16 2 583.017 241.679 2 0 16 3 232.454 172.803 2 0 16 4 1011.30 184.609 2 0 16 5 522.901 61.3843 2 0 16 6 39.9274 48.0496 2 0 16 7 424.911 43.7245 2 0 16 8 76.5313 43.8447 2 0 16 9 124.193 44.5419 2 0 16 10 119.263 32.0424 2 0 16 11 178.372 29.8527 2 0 16 12 49.5677 23.1042 2 0 17 1 413.920 242.151 2 0 17 2 2009.16 185.927 2 0 17 3 568.136 180.594 2 0 17 4 430.326 183.980 2 0 17 5 173.411 59.4974 2 0 17 6 285.765 52.4255 2 0 17 7 40.9329 43.6373 2 0 17 8 60.0747 39.0841 2 0 17 9 195.868 38.4302 2 0 17 10 78.2171 27.8394 2 0 17 11 46.6660 27.6801 2 0 18 0 2246.59 263.946 2 0 18 1 2614.43 180.598 2 0 18 2 2063.95 184.112 2 0 18 3 846.687 185.207 2 0 18 4 2154.70 196.261 2 0 18 5 951.772 114.051 2 0 18 6 401.187 59.8385 2 0 18 7 95.9623 43.9595 2 0 18 8 80.6344 42.2617 2 0 18 9 123.796 33.5586 2 0 18 10 100.776 28.0380 2 0 18 11 105.622 22.5367 2 0 19 1 524.054 169.270 2 0 19 2 736.358 175.717 2 0 19 3 926.891 182.950 2 0 19 4 449.352 181.425 2 0 19 5 853.909 100.887 2 0 19 6 377.043 86.7848 2 0 19 7 99.5325 45.1891 2 0 19 8 56.7782 38.6461 2 0 19 9 211.155 29.9939 2 0 19 10 51.5029 24.0251 2 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1 3 7 793.976 43.3611 2 1 3 8 539.722 39.2606 2 1 3 9 629.722 41.5407 2 -1 3 -10 758.716 67.6881 2 1 3 11 1172.95 56.2784 2 1 3 12 265.323 47.0799 2 1 3 13 19.2220 39.0366 2 1 3 14 85.2323 49.5216 2 -1 4 14-3.83956 27.4087 2 -1 4 13 44.9370 34.5585 2 -1 4 12 245.937 51.8249 2 -1 4 11 1301.79 71.0436 2 1 4 -10 1272.36 63.3398 2 -1 4 9 1678.31 43.6809 2 -1 4 8 9341.52 47.7380 2 -1 4 7 4819.52 41.2694 2 -1 4 6 4417.21 143.231 2 1 4 -5 8936.18 133.403 2 -1 4 4 6949.61 134.947 2 -1 4 3 16553.2 155.812 2 -1 4 2 14210.1 104.956 2 -1 4 1 6044.96 57.1613 2 1 4 4 10029.8 151.388 2 1 4 5 8447.38 129.485 2 1 4 6 6655.45 114.740 2 1 4 7 999.374 31.3964 2 1 4 8 7221.58 48.6297 2 1 4 9 516.900 39.7134 2 -1 4 -10 226.486 55.7538 2 1 4 11 197.750 53.3454 2 1 4 12 55.6792 57.6541 2 1 4 13 17.0240 39.1434 2 1 4 14-15.4171 45.3386 2 -1 5 14 125.941 27.7590 2 -1 5 13 280.083 38.7605 2 -1 5 12 544.756 60.6312 2 -1 5 11 3297.16 78.8643 2 -1 5 10 574.226 48.2679 2 -1 5 9 334.467 44.2295 2 -1 5 8 305.979 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32.9847 2 -1 7 13 38.4233 69.0385 2 -1 7 12 411.469 95.0024 2 -1 7 11 1126.77 73.0981 2 -1 7 10 1002.99 44.5776 2 -1 7 9 433.169 38.0032 2 -1 7 8 535.810 38.2981 2 -1 7 7 107.468 34.9329 2 -1 7 6 2018.46 180.036 2 -1 7 5 27814.7 248.075 2 -1 7 4 7601.73 130.757 2 -1 7 3 4127.46 105.029 2 -1 7 2 1527.21 71.4299 2 -1 7 1 21691.0 165.814 2 -1 7 0 18389.6 198.814 2 1 7 4 6287.93 131.476 2 1 7 5 28927.3 181.273 2 1 7 6 3161.72 84.7344 2 1 7 7 1759.30 41.5090 2 1 7 8 863.014 39.7245 2 1 7 9 450.449 45.2185 2 1 7 10 1474.14 44.9337 2 1 7 11 1739.88 67.9056 2 1 7 12 451.424 43.8255 2 1 7 13 314.905 32.1607 2 -1 8 13 39.8022 64.5239 2 -1 8 12 137.420 91.4275 2 -1 8 11 659.166 57.1791 2 -1 8 10 547.495 46.2099 2 -1 8 9 875.295 39.5457 2 -1 8 8 1894.07 39.3763 2 -1 8 7 3315.86 42.3161 2 -1 8 6 189.266 40.4108 2 -1 8 5 10800.5 193.445 2 -1 8 4 3706.15 105.724 2 -1 8 3 2703.68 105.136 2 -1 8 2 827.046 74.8668 2 -1 8 1 3830.28 154.405 2 -1 8 0 224062. 445.844 2 1 8 4 3208.12 162.594 2 1 8 5 2321.01 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49.4566 2 1 26 6 61.9013 33.8458 2 1 26 7 11.3031 25.0562 2 -1 27 6-35.9345 48.5977 2 -1 27 5 171.400 33.5124 2 -1 27 4 146.873 50.9366 2 1 27 4 93.8717 63.2349 2 1 27 5 85.6460 55.3981 2 1 27 6 80.6343 24.8994 2 1 28 4 63.3174 45.4914 2 1 28 5 56.2753 27.9308 2 2 -30 -2 50.2563 26.4458 2 2 -29 -4 54.9726 30.9934 2 -2 -29 -2 85.9192 42.1331 2 2 -28 -5 125.853 36.3815 2 2 -28 -4 88.5683 47.4676 2 2 -28 -3 80.8509 67.1824 2 -2 -28 2 107.643 60.5585 2 -2 -28 0 22.4723 56.5179 2 -2 -28 -1 584.011 61.4363 2 -2 -28 -2 12.3264 56.6486 2 -2 -28 -3 37.0763 54.0511 2 2 -27 -6 30.1048 27.3234 2 2 -27 -5 101.776 37.5100 2 2 -27 -4 281.529 38.6195 2 2 -27 -3 754.429 54.6777 2 -2 -27 1 61.3508 69.0121 2 -2 -27 0 68.8355 75.3862 2 -2 -27 -1 3.57867 74.3809 2 -2 -27 -6 324.842 41.4523 2 2 -26 -7 437.727 44.9450 2 2 -26 -6 515.069 41.4290 2 2 -26 -5 553.097 41.8096 2 2 -26 -4 561.904 49.6950 2 2 -26 -3 174.624 50.6847 2 2 -26 -2 169.196 58.0957 2 2 -26 -1 367.716 42.4485 2 2 -26 0 1778.98 52.4886 2 -2 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3036.19 54.3620 2 2 -13 -5 3398.92 50.7889 2 2 -13 -4 6927.83 70.4478 2 2 -13 -3 5036.58 80.7173 2 -2 -13 -3 2939.67 144.606 2 -2 -13 -4 9377.73 91.5659 2 2 -13 5 15809.4 77.7812 2 2 -13 6 10407.7 78.0215 2 2 -13 7 819.979 52.8156 2 -2 -13 -8 368.292 53.0440 2 -2 -13 -9 549.335 60.5969 2 -2 -13 -10 54.5777 47.1199 2 2 -13 11 224.971 51.8353 2 2 -12 -12 138.059 31.2318 2 -2 -12 11 158.295 55.5052 2 -2 -12 10 447.927 71.7163 2 -2 -12 9 719.205 70.3026 2 -2 -12 8 1826.16 99.7758 2 -2 -12 7 11560.4 77.1194 2 2 -12 -6 4286.56 57.9432 2 -2 -12 5 15428.2 69.3581 2 -2 -12 4 1524.63 97.0662 2 2 -12 -3 270.097 200.638 2 2 -12 4 1613.14 79.4695 2 2 -12 5 1071.17 48.7267 2 2 -12 6 3087.06 52.6617 2 2 -12 7 1947.26 52.5436 2 -2 -12 -8 799.644 56.1361 2 2 -12 9 5021.15 68.8195 2 -2 -12 -10 914.748 65.7624 2 2 -12 11 143.216 58.2347 2 2 -12 12 135.380 26.6424 2 -2 -11 12 407.851 41.9085 2 -2 -11 11 2069.62 64.8579 2 -2 -11 10 749.716 77.5145 2 -2 -11 9 285.657 100.930 2 -2 -11 8 339.030 62.3135 2 2 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9 1360.81 58.2146 2 2 -10 10 421.207 68.9211 2 2 -10 11 222.169 53.1197 2 2 -10 12 83.5474 34.8999 2 2 -10 13 45.3915 27.1114 2 -2 -9 13 190.853 37.8807 2 -2 -9 12 116.955 36.3373 2 -2 -9 11 670.326 43.7356 2 -2 -9 10 134.280 60.1735 2 2 -9 -9 333.795 49.7998 2 2 -9 -8 345.062 53.7639 2 2 -9 -7 668.183 50.0725 2 -2 -9 6 607.566 65.9737 2 -2 -9 5 11671.4 142.154 2 -2 -9 4 16847.1 142.042 2 2 -9 -3 1370.50 93.2138 2 2 -9 -2 1679.57 187.830 2 -2 -9 -2 21630.2 158.029 2 -2 -9 -3 16527.1 179.685 2 -2 -9 -4 21165.7 171.613 2 2 -9 5 17803.2 97.6974 2 2 -9 6 1952.99 48.2873 2 2 -9 7 1801.56 48.3363 2 2 -9 8 714.510 43.9254 2 2 -9 9 304.159 43.8769 2 2 -9 10 232.290 45.8377 2 2 -9 11 460.849 58.6009 2 2 -9 12 241.104 39.1985 2 2 -9 13 44.7540 31.3120 2 -2 -8 12 91.3171 46.3872 2 -2 -8 11 60.1872 48.3790 2 -2 -8 10 407.230 57.4058 2 2 -8 -9 1035.36 56.5511 2 2 -8 -8 941.058 60.2891 2 -2 -8 7 889.453 69.8522 2 -2 -8 6 711.177 144.571 2 -2 -8 5 1233.19 106.694 2 -2 -8 4 2464.17 101.462 2 2 -8 -3 1890.90 85.8359 2 2 -8 -2 10744.9 221.662 2 -2 -8 -2 3131.87 210.051 2 -2 -8 -3 743.049 103.567 2 2 -8 4 1343.89 124.893 2 2 -8 5 6611.12 165.372 2 2 -8 6 3148.13 53.3876 2 2 -8 7 4577.76 49.5785 2 2 -8 8 256.078 44.8088 2 2 -8 9 410.583 52.9205 2 2 -8 10 693.324 48.7615 2 2 -8 11 575.261 54.7356 2 2 -8 12 207.366 42.7884 2 2 -8 13 46.2977 23.4470 2 -2 -7 13 160.607 43.0771 2 -2 -7 12 96.7679 44.5763 2 -2 -7 11 22.5164 50.4498 2 -2 -7 10 88.0941 48.2803 2 2 -7 -9 428.365 49.7995 2 2 -7 -8 685.537 56.1418 2 2 -7 -7 109.943 66.6807 2 2 -7 -6 222.367 100.722 2 -2 -7 5 13811.8 181.204 2 -2 -7 4 1480.69 98.4026 2 2 -7 -3 562.748 92.9230 2 2 -7 -2 149.466 108.249 2 -2 -7 -3 5403.46 127.232 2 2 -7 4 4699.87 144.430 2 2 -7 5 1323.14 144.580 2 2 -7 6 1416.04 50.5449 2 2 -7 7 1414.26 44.1966 2 2 -7 8 2408.59 48.8883 2 2 -7 9 1899.82 47.9611 2 2 -7 10 774.447 50.7439 2 2 -7 11 945.475 52.4789 2 2 -7 12 107.451 46.3981 2 2 -7 13 36.1324 24.2457 2 -2 -6 13 74.9731 28.5634 2 -2 -6 12 245.277 41.0766 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216.684 46.5361 2 2 3 13 30.5799 25.5017 2 -2 4 14-1.44543 27.3625 2 -2 4 13 24.0902 36.5942 2 -2 4 12 116.419 78.6500 2 -2 4 11 813.585 89.0604 2 2 4 -10 149.295 58.4591 2 -2 4 9 127.318 37.7347 2 -2 4 8 824.152 38.9766 2 -2 4 7 4030.80 43.3562 2 -2 4 6 1049.14 100.959 2 -2 4 5 17409.8 141.307 2 -2 4 4 2144.43 83.8820 2 -2 4 3 536.994 77.0993 2 -2 4 2 19726.3 143.277 2 -2 4 0 9664.39 138.909 2 -2 4 -1 25011.8 156.736 2 2 4 2 6397.47 80.1381 2 2 4 3 9012.75 99.6175 2 2 4 4 320.781 81.2899 2 2 4 5 726.175 69.0515 2 2 4 6 5106.21 93.3864 2 2 4 7 831.258 35.2363 2 2 4 8 288.649 36.7696 2 2 4 9 341.449 41.7230 2 2 4 10 201.763 58.9294 2 2 4 11 58.6712 54.5947 2 2 4 12 46.6923 46.3858 2 2 4 13-9.19555 27.3178 2 -2 5 13 163.431 69.0752 2 -2 5 12 84.4280 75.0151 2 -2 5 11 676.809 88.6196 2 -2 5 10 175.168 41.8293 2 -2 5 9 628.977 37.5517 2 -2 5 8 654.485 38.5195 2 2 5 -7 270.166 32.4392 2 2 5 -6 422.226 99.6426 2 -2 5 5 2459.61 97.2869 2 2 5 -4 899.184 96.0292 2 -2 5 3 595.594 104.135 2 -2 5 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371.186 40.7209 2 2 9 13 46.9516 21.2021 2 -2 10 13 58.8208 29.4776 2 -2 10 12 55.6791 48.9155 2 -2 10 11 256.187 43.2134 2 -2 10 10 1280.29 39.9651 2 -2 10 9 1085.59 38.1815 2 -2 10 8 379.722 38.7608 2 -2 10 7 1724.97 39.6067 2 -2 10 6 9159.92 53.3104 2 -2 10 5 6043.50 149.350 2 -2 10 4 920.365 112.876 2 -2 10 3 3065.68 84.9102 2 -2 10 2 10881.1 178.595 2 -2 10 1 12019.7 222.904 2 -2 10 0 60148.4 375.072 2 -2 10 -1 19880.5 167.444 2 -2 10 -2 15448.2 182.311 2 2 10 3 1131.67 84.9506 2 2 10 4 1627.81 96.5248 2 2 10 5 513.818 70.8694 2 2 10 6 1285.84 43.2106 2 2 10 7 3176.26 53.7296 2 2 10 8 1910.01 58.7078 2 2 10 9 1827.58 49.4515 2 2 10 10 229.152 42.9551 2 2 10 11 374.012 47.2719 2 2 10 12 89.2973 37.1712 2 2 10 13 37.8719 22.5692 2 -2 11 13 85.5876 26.4666 2 -2 11 12 313.250 46.4314 2 -2 11 11 1266.83 44.1079 2 -2 11 10 880.428 38.9159 2 -2 11 9 98.3527 35.9158 2 -2 11 8 362.129 41.1658 2 -2 11 7 777.723 40.9259 2 -2 11 6 1457.88 41.0225 2 -2 11 5 5029.95 130.287 2 -2 11 4 12712.3 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67.8433 2 4 2 11 436.507 39.0368 2 4 2 12 161.135 44.2136 2 4 2 13 107.845 55.5994 2 -4 3 13 38.6143 40.2545 2 -4 3 12 303.334 61.8830 2 -4 3 11 585.312 83.9668 2 -4 3 10 2027.45 67.7045 2 4 3 -9 1121.31 46.1590 2 4 3 -8 548.555 36.8700 2 -4 3 7 1016.62 31.5082 2 -4 3 6 1451.15 32.5559 2 4 3 -5 1956.51 145.412 2 -4 3 4 1517.34 119.794 2 -4 3 3 214.970 94.4211 2 -4 3 2 6316.40 150.268 2 -4 3 1 10386.3 128.553 2 -4 3 0 2466.40 109.141 2 -4 3 -1 6418.37 106.835 2 4 3 2 3989.06 106.770 2 4 3 3 1995.56 91.5339 2 4 3 4 15076.3 138.973 2 4 3 5 8663.11 53.4586 2 4 3 6 6081.94 43.3179 2 4 3 7 3229.40 44.6971 2 4 3 8 901.655 46.1484 2 4 3 9 815.163 46.9714 2 4 3 10 1788.38 65.9243 2 4 3 11 487.139 40.2989 2 4 3 12 287.945 38.7935 2 -4 4 13 67.4316 30.2321 2 -4 4 12 10.3687 60.0184 2 -4 4 11 61.8773 63.2470 2 -4 4 10 273.374 54.1319 2 4 4 -9 840.745 50.7658 2 4 4 -8 356.214 36.6697 2 -4 4 7 1359.61 35.1569 2 -4 4 6 2675.79 34.4033 2 4 4 -5 1446.44 142.051 2 -4 4 4 115.801 95.0578 2 -4 4 3 8135.79 127.482 2 -4 4 2 9214.50 213.936 2 -4 4 1 13536.7 161.169 2 -4 4 0 12695.7 153.293 2 -4 4 -1 23767.2 155.444 2 4 4 2 15355.9 198.897 2 4 4 3 1110.87 93.1738 2 4 4 4 1683.46 101.653 2 4 4 5 2553.29 37.7257 2 4 4 6 2918.83 39.0578 2 4 4 7 2691.31 43.3386 2 4 4 8 2512.59 42.0244 2 4 4 9 1730.19 53.3364 2 4 4 10 762.488 58.6394 2 4 4 11 109.709 43.9330 2 4 4 12 73.4811 37.6564 2 4 4 13 50.2842 46.8184 2 -4 5 13-56.5480 45.6726 2 -4 5 12 176.329 57.8633 2 -4 5 11 384.273 49.2988 2 -4 5 10 225.872 45.4751 2 4 5 -9 215.591 38.7278 2 4 5 -8 775.995 36.5721 2 4 5 -7 832.180 32.9966 2 -4 5 6 3043.37 35.0221 2 -4 5 5 2381.98 46.8364 2 -4 5 4 4465.45 114.634 2 -4 5 3 6837.29 129.315 2 -4 5 2 6898.25 200.631 2 -4 5 1 294.095 102.154 2 -4 5 0 444.295 100.224 2 -4 5 -1 7918.30 114.107 2 -4 5 -2 11361.4 187.180 2 4 5 3 4724.16 112.659 2 4 5 4 5180.61 117.764 2 4 5 5 6872.04 46.0768 2 4 5 6 1437.31 37.8624 2 4 5 7 630.002 38.2790 2 4 5 8 733.690 40.0731 2 4 5 9 608.032 44.5095 2 4 5 10 1153.35 60.0238 2 4 5 11 434.762 44.0184 2 4 5 12 182.556 24.0061 2 4 5 13 117.306 41.7610 2 -4 6 13-6.39913 40.8419 2 -4 6 12 135.463 56.3195 2 -4 6 11 68.3118 47.3806 2 -4 6 10 579.623 46.1574 2 4 6 -9 717.821 40.4051 2 -4 6 8 1625.32 39.7973 2 -4 6 7 606.171 33.1567 2 -4 6 6 191.704 36.5934 2 4 6 -5 49.8106 32.1084 2 4 6 -4 499.217 99.4856 2 -4 6 3 48.3889 102.826 2 -4 6 2 6549.00 109.685 2 -4 6 1 20733.6 212.240 2 -4 6 0 1757.63 113.212 2 -4 6 -1 4228.12 112.246 2 -4 6 -2 731.423 184.160 2 4 6 3 123.770 103.562 2 4 6 4 685.772 116.001 2 4 6 5 822.221 41.8951 2 4 6 6 2412.79 39.2863 2 4 6 7 2538.63 43.9039 2 4 6 8 1275.35 39.1917 2 4 6 9 372.548 44.4559 2 4 6 10 239.192 50.4539 2 4 6 11 146.094 42.8088 2 4 6 12 71.7557 27.2363 2 -4 7 13-34.1820 39.2128 2 -4 7 12 69.4539 53.0772 2 -4 7 11 55.6305 40.7620 2 -4 7 10 189.400 46.7799 2 -4 7 9 937.443 39.8231 2 4 7 -8 585.536 36.8147 2 -4 7 7 758.026 33.7481 2 -4 7 6 1722.09 41.7506 2 4 7 -5 86.7959 35.8246 2 -4 7 4 1284.09 106.078 2 -4 7 3 1352.36 105.655 2 -4 7 2 2775.81 100.495 2 -4 7 1 4263.01 151.984 2 -4 7 0 608.254 106.560 2 -4 7 -1 4803.07 119.873 2 -4 7 -2 1036.53 139.695 2 4 7 3 2189.41 120.277 2 4 7 4 3995.64 134.400 2 4 7 5 703.279 41.7858 2 4 7 6 1687.83 43.4349 2 4 7 7 2929.29 44.7219 2 4 7 8 297.871 39.8778 2 4 7 9 1182.71 43.4218 2 4 7 10 736.415 45.7331 2 4 7 11 382.522 42.5433 2 4 7 12 114.708 26.4547 2 -4 8 13 36.2916 33.5690 2 -4 8 12 58.4272 47.9206 2 -4 8 11 171.447 40.2732 2 -4 8 10 388.756 42.1499 2 -4 8 9 302.975 42.6076 2 4 8 -8 194.262 37.6124 2 -4 8 7 933.784 35.1179 2 -4 8 6 2589.05 41.9810 2 -4 8 5 4092.48 44.4868 2 -4 8 4 2812.29 131.513 2 -4 8 3 2567.67 122.468 2 -4 8 2 4798.99 110.893 2 -4 8 1 974.795 96.8802 2 -4 8 0 592.024 109.368 2 -4 8 -1 3239.25 105.959 2 -4 8 -2 17832.0 178.902 2 4 8 3 690.506 103.215 2 4 8 4 5731.24 67.5473 2 4 8 5 1326.72 44.1800 2 4 8 6 720.796 41.4152 2 4 8 7 762.629 40.1251 2 4 8 8 860.424 41.2712 2 4 8 9 764.109 40.2250 2 4 8 10 1040.46 42.6635 2 4 8 11 147.003 45.5977 2 4 8 12 93.5059 25.5063 2 -4 9 12 153.443 44.1873 2 -4 9 11 207.112 38.8080 2 -4 9 10 848.732 39.3605 2 -4 9 9 1881.29 47.8286 2 4 9 -8 569.948 42.4231 2 -4 9 7 177.702 37.2911 2 -4 9 6 82.4471 39.1065 2 -4 9 5 1229.48 40.2059 2 -4 9 4 1474.76 98.5056 2 -4 9 3 531.201 113.498 2 -4 9 2 22184.7 159.716 2 -4 9 1 15494.9 266.354 2 -4 9 0 2174.10 117.424 2 -4 9 -1 1234.93 99.7538 2 -4 9 -2 1113.58 119.547 2 4 9 3 1083.27 107.174 2 4 9 4 1575.91 50.5997 2 4 9 5 2480.75 50.4441 2 4 9 6 4026.73 51.9003 2 4 9 7 4263.21 52.5730 2 4 9 8 563.491 41.1434 2 4 9 9 395.478 38.0682 2 4 9 10 124.201 53.3227 2 4 9 11 125.878 43.9168 2 4 9 12 163.026 23.6616 2 -4 10 12 100.015 52.1725 2 -4 10 11 117.208 39.1607 2 -4 10 10 262.256 39.0914 2 -4 10 9 375.405 41.3088 2 -4 10 8 56.0171 42.4036 2 -4 10 7 3611.04 47.0719 2 -4 10 6 4549.72 51.4628 2 -4 10 5 8243.78 55.3354 2 -4 10 4 3262.14 71.6544 2 -4 10 3 321.359 113.747 2 -4 10 2 2688.68 109.428 2 -4 10 1 5504.89 215.635 2 -4 10 0 10295.2 226.873 2 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33.8338 2 -4 12 10 184.011 31.5708 2 -4 12 9 161.975 36.7991 2 -4 12 8 17.5416 39.8773 2 -4 12 7 6076.27 48.3452 2 -4 12 6 6637.50 59.4563 2 -4 12 5 4638.35 52.0723 2 -4 12 4 3310.50 67.9290 2 -4 12 3 206.512 85.7915 2 -4 12 2 1383.38 211.950 2 -4 12 1 1412.91 202.940 2 -4 12 0 8317.92 186.206 2 4 12 1 11656.4 357.192 2 4 12 2 4923.25 216.180 2 4 12 3 549.790 99.7479 2 4 12 4 343.442 71.0997 2 4 12 5 241.876 55.9111 2 4 12 6 1008.89 51.0276 2 4 12 7 411.050 44.8115 2 4 12 8 141.713 45.2180 2 4 12 9 966.443 42.1330 2 4 12 10 395.532 40.9254 2 4 12 11 60.3769 36.2572 2 4 12 12 16.1202 22.8994 2 -4 13 11 682.169 35.0375 2 -4 13 10 1473.91 35.0010 2 -4 13 9 960.048 36.8754 2 -4 13 8 696.528 36.7470 2 -4 13 7 821.268 41.2324 2 -4 13 6 860.380 48.6512 2 -4 13 5 1363.58 46.6109 2 -4 13 4 3215.04 68.3095 2 -4 13 3 3960.76 251.676 2 -4 13 2 10325.1 232.780 2 -4 13 1 6729.29 246.222 2 -4 13 0 10310.9 203.323 2 4 13 1 613.898 282.442 2 4 13 2 546.491 102.516 2 4 13 3 1136.65 106.961 2 4 13 4 1454.68 76.1487 2 4 13 5 3529.77 60.8388 2 4 13 6 1647.75 52.4192 2 4 13 7 544.657 51.5340 2 4 13 8 167.684 47.0123 2 4 13 9 46.4688 41.5442 2 4 13 10 15.5926 41.1669 2 4 13 11 94.2186 35.0880 2 -4 14 11 93.8330 29.5279 2 -4 14 10 104.188 29.8809 2 -4 14 9 159.078 31.3284 2 -4 14 8 231.273 44.5665 2 -4 14 7 3619.52 50.2996 2 -4 14 6 4138.85 59.2791 2 -4 14 5 5772.56 63.0726 2 -4 14 4 933.736 77.7909 2 -4 14 3 328.435 226.499 2 -4 14 2 684.293 221.490 2 -4 14 1 1970.28 224.859 2 -4 14 0 2798.74 168.147 2 4 14 1 11650.2 378.390 2 4 14 2 3253.10 107.867 2 4 14 3 549.299 107.500 2 4 14 4 1040.84 77.6487 2 4 14 5 319.395 50.9929 2 4 14 6 237.591 49.3990 2 4 14 7 151.727 51.5291 2 4 14 8 160.827 36.5502 2 4 14 9 660.509 43.8359 2 4 14 10 186.833 43.3975 2 -4 15 11 219.518 61.8586 2 -4 15 10 647.024 32.3823 2 -4 15 9 68.9661 31.6970 2 -4 15 8 118.886 39.5972 2 -4 15 7 173.144 41.4678 2 -4 15 6 153.082 47.3992 2 -4 15 5 538.085 56.3038 2 -4 15 4 2530.45 80.1155 2 -4 15 3 2126.65 246.424 2 -4 15 2 5759.48 265.108 2 -4 15 1 1351.50 158.672 2 4 15 0 2205.13 323.012 2 4 15 1 793.503 306.858 2 4 15 2 463.545 166.937 2 4 15 3 890.561 103.231 2 4 15 4 2556.82 82.1855 2 4 15 5 1804.93 57.8478 2 4 15 6 1489.26 51.1807 2 4 15 7 378.400 50.2034 2 4 15 8 78.5799 34.6037 2 4 15 9 130.936 33.5981 2 4 15 10 76.2156 39.2405 2 -4 16 11 132.088 53.1635 2 -4 16 10 109.087 30.8850 2 -4 16 9 69.8630 31.6357 2 -4 16 8 206.567 37.8370 2 -4 16 7 472.757 40.1120 2 -4 16 6 735.573 48.7943 2 -4 16 5 809.454 56.4528 2 -4 16 4 261.784 71.2284 2 -4 16 3 56.8875 105.092 2 -4 16 2 443.808 219.672 2 -4 16 1 988.378 177.890 2 -4 16 0 1457.94 228.986 2 4 16 1 2741.41 230.644 2 -4 16 -2 495.221 167.703 2 4 16 3 1148.44 89.9761 2 4 16 4 227.942 66.2954 2 4 16 5 132.742 53.7527 2 4 16 6 229.888 49.5457 2 4 16 7 190.439 47.3519 2 4 16 8 158.349 34.1678 2 4 16 9 95.5914 30.8299 2 4 16 10 81.4202 34.4942 2 -4 17 11 124.534 44.1257 2 -4 17 10 96.0522 27.5863 2 -4 17 9 138.138 30.7773 2 -4 17 8 161.813 33.4336 2 -4 17 7 3.68072 35.1504 2 -4 17 6 27.7685 43.1262 2 -4 17 5-24.7178 52.2784 2 -4 17 4 15.2040 77.1090 2 -4 17 3 1520.18 238.021 2 -4 17 2 1230.84 184.085 2 4 17 -1 959.324 312.122 2 4 17 0 246.453 217.925 2 4 17 1 976.792 306.478 2 4 17 2 226.968 208.191 2 4 17 3 197.204 112.729 2 4 17 4 153.212 88.8874 2 4 17 5 294.318 56.6750 2 4 17 6 182.447 50.4815 2 4 17 7 101.710 48.6261 2 4 17 8 137.342 33.0355 2 4 17 9 43.0268 27.5249 2 4 17 10 208.091 30.5447 2 -4 18 10 99.2124 28.5699 2 -4 18 9 48.3408 27.5024 2 -4 18 8 18.7256 32.4338 2 -4 18 7 12.1926 46.1022 2 -4 18 6 248.933 48.3973 2 -4 18 5 84.2705 68.5928 2 -4 18 4 117.681 65.4892 2 -4 18 3 387.935 126.744 2 4 18 -2 1279.65 181.173 2 4 18 -1 539.896 307.161 2 4 18 0 555.812 213.719 2 4 18 1 497.455 300.723 2 4 18 2 616.127 208.431 2 4 18 3 409.342 109.015 2 4 18 4 211.341 71.3389 2 4 18 5 619.577 54.9130 2 4 18 6 154.958 53.6891 2 4 18 7 59.4019 39.9947 2 4 18 8 111.892 31.4901 2 4 18 9 21.6510 24.8490 2 4 18 10 15.1737 22.2570 2 -4 19 10-6.29141 46.1087 2 -4 19 9 22.1934 24.2685 2 -4 19 8 178.686 33.5408 2 -4 19 7 525.650 40.1042 2 -4 19 6 259.659 39.4044 2 -4 19 5 547.510 57.1330 2 -4 19 4 603.131 84.5119 2 -4 19 3 812.185 174.311 2 4 19 -2 921.321 171.133 2 4 19 -1 874.914 298.801 2 4 19 0 526.520 204.612 2 4 19 1 938.246 294.627 2 4 19 2 211.680 287.613 2 4 19 3 237.404 104.411 2 4 19 4 688.959 64.1559 2 4 19 5 285.850 52.0568 2 4 19 6 70.8414 49.4131 2 4 19 7 45.7056 33.8830 2 4 19 8 18.1627 27.7142 2 4 19 9 76.3974 22.4233 2 4 19 10 36.1436 22.3808 2 -4 20 9 115.013 22.3986 2 -4 20 8 24.4850 31.1540 2 -4 20 7 471.754 36.0093 2 -4 20 6 243.123 38.5403 2 -4 20 5 505.057 49.1137 2 -4 20 4 72.7814 61.8563 2 4 20 -1 498.740 196.580 2 4 20 0 1596.31 208.906 2 4 20 1 1748.89 287.459 2 4 20 4-68.3423 68.7498 2 4 20 5 76.8567 69.4481 2 4 20 6 573.391 46.1873 2 4 20 7 113.285 34.2053 2 4 20 8 102.762 23.9898 2 4 20 9 148.536 18.1771 2 -4 21 9 152.278 20.2808 2 -4 21 8 49.4357 28.4553 2 -4 21 7 140.143 28.6546 2 -4 21 6 308.113 38.2393 2 -4 21 5 578.246 49.7717 2 -4 21 4 852.280 105.642 2 -4 21 3 381.033 108.371 2 4 21 3 530.817 115.531 2 4 21 4 734.330 80.0280 2 4 21 5 977.331 55.9100 2 4 21 6 192.752 40.4068 2 4 21 7 217.459 29.4939 2 4 21 8 32.9145 20.6059 2 4 21 9 29.5224 18.5301 2 -4 22 8 101.818 21.0233 2 -4 22 7 542.119 24.7120 2 -4 22 6 483.364 31.2268 2 -4 22 5 711.802 41.7167 2 -4 22 4 205.848 63.5380 2 4 22 3 155.202 100.734 2 4 22 4 105.247 71.9474 2 4 22 5 100.178 46.8599 2 4 22 6 265.396 32.1083 2 4 22 7 67.2399 24.1552 2 4 22 8 107.596 16.2862 2 -4 23 8 27.7334 23.2610 2 -4 23 7-17.6493 22.8143 2 -4 23 6 55.8227 25.7972 2 -4 23 5 515.393 39.6190 2 -4 23 4 964.914 51.0493 2 -4 23 3 564.663 87.9095 2 4 23 3 267.363 91.9688 2 4 23 4 503.565 64.4388 2 4 23 5 616.953 41.6487 2 4 23 6 488.785 24.7911 2 4 23 7 151.884 20.3229 2 4 23 8 22.5163 38.9888 2 -4 24 7 259.208 23.1325 2 -4 24 6 386.788 29.7564 2 -4 24 5 354.560 37.8604 2 -4 24 4 261.597 69.9782 2 4 24 3 256.327 77.8246 2 4 24 4 42.0499 52.2778 2 4 24 5 44.2180 28.7129 2 4 24 6 119.969 20.4528 2 4 24 7 39.9275 25.2421 2 -4 25 7 18.3867 41.0187 2 -4 25 6 11.9743 18.4360 2 -4 25 5 40.0441 30.8368 2 -4 25 4 162.358 42.2151 2 -4 25 3 659.158 65.3676 2 4 25 3 63.0132 67.7195 2 4 25 4 3.78833 44.3153 2 4 25 5 220.399 29.3333 2 4 25 6 204.494 31.7698 2 -4 26 6 150.695 26.2373 2 -4 26 5 60.0628 33.4631 2 -4 26 4 120.368 28.1429 2 4 26 3 38.6467 53.6656 2 4 26 4 104.736 31.4351 2 4 26 5 109.576 27.6281 2 -4 27 3 122.122 27.0707 2 4 27 2 84.1752 45.4355 2 4 27 3 226.872 47.3357 2 4 27 4 170.173 28.9746 2 5 -27 -1 78.8305 25.0389 2 5 -27 0 341.184 24.9598 2 -5 -27 -3 4.33845 43.2741 2 5 -26 -3 81.9801 34.2248 2 -5 -26 2 143.998 61.3074 2 5 -26 -1 73.9431 32.2268 2 5 -26 0 141.564 36.3135 2 5 -26 1 34.1705 32.6181 2 -5 -26 -2 4.75176 42.3527 2 -5 -26 -3 96.1474 40.0867 2 -5 -26 -4 92.1617 35.0274 2 -5 -26 -5 114.707 36.3898 2 5 -25 -4 21.3387 28.3591 2 5 -25 -3-23.8297 36.0844 2 5 -25 -2 61.5867 33.9589 2 5 -25 -1 7.49510 28.9221 2 5 -25 0 404.475 46.1919 2 -5 -25 -1 144.767 35.9773 2 -5 -25 -2 120.446 30.0605 2 -5 -25 -3 82.2773 52.7341 2 -5 -25 -4 30.8710 35.8014 2 -5 -25 -5 136.290 29.3916 2 -5 -25 -6 46.9007 37.7929 2 5 -24 -7 49.4097 42.5922 2 5 -24 -6 133.520 63.0085 2 5 -24 -5 16.1756 59.0019 2 5 -24 -4 109.675 30.9059 2 5 -24 -3 60.1696 29.9462 2 5 -24 -2 62.5583 37.8649 2 5 -24 -1 700.204 41.6309 2 5 -24 0 46.9016 35.6920 2 5 -24 1 58.8166 40.7701 2 -5 -24 -2 89.6448 33.6590 2 -5 -24 -3 130.073 60.2076 2 -5 -24 -4 87.4032 54.6714 2 -5 -24 -5 83.1929 60.3099 2 -5 -24 -6 157.345 36.2868 2 5 -23 -7 315.858 62.2710 2 5 -23 -6 136.267 77.1849 2 5 -23 -5 70.1708 29.7267 2 5 -23 -4 256.703 37.6993 2 5 -23 -3 95.0170 36.2040 2 5 -23 -2 171.814 37.6691 2 5 -23 -1 912.199 49.8368 2 5 -23 0 39.7487 37.4182 2 -5 -23 -1 548.185 84.0392 2 -5 -23 -2 56.8049 43.4419 2 -5 -23 -3 118.699 71.9201 2 -5 -23 -4 264.983 68.2877 2 -5 -23 -5 127.755 71.4017 2 -5 -23 -6-29.1439 80.2760 2 -5 -23 -7-9.36917 54.0798 2 5 -22 -8 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35.6773 2 -9 17 0 1213.37 36.5908 2 -9 17 -1 353.742 30.5735 2 -9 17 -2 217.991 27.5789 2 -9 17 -3 154.634 24.4645 2 9 17 4 112.090 25.7691 2 -9 17 -5 52.0202 22.7918 2 -9 18 5 230.861 18.0514 2 -9 18 4 409.813 22.8945 2 -9 18 3 272.904 24.8647 2 -9 18 2 267.495 22.3413 2 -9 18 1 136.120 24.8629 2 -9 18 0 110.976 28.9761 2 -9 18 -1 69.2786 27.0257 2 -9 18 -2 112.217 22.9302 2 -9 18 -3 94.1801 20.0455 2 -9 18 -4 216.654 21.2538 2 -9 19 5 120.521 29.4671 2 -9 19 4 14.9238 18.1725 2 -9 19 3-8.05335 22.4364 2 -9 19 2 86.6518 21.8188 2 -9 19 1 180.628 23.5724 2 -9 19 0 266.598 26.6313 2 -9 19 -1 428.199 22.4659 2 -9 19 -2 281.035 21.4535 2 -9 19 -3 304.399 24.2276 2 -9 19 -4 90.6731 21.9914 2 -9 20 3 158.482 15.7966 2 -9 20 2 130.428 23.8222 2 -9 20 1 125.013 21.9156 2 -9 20 0 80.9928 20.3910 2 -9 20 -1 26.9568 21.0223 2 -9 20 -2 69.0827 20.4927 2 9 20 3 126.456 30.5330 2 -9 21 2 43.4583 41.0130 2 -9 21 1 112.982 20.8216 2 -9 21 0 107.226 24.4741 2 -9 21 -1 155.663 22.7236 2 9 21 2 184.777 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39.2007 2 10 -14 1 51.1634 34.2315 2 10 -14 2 113.047 36.1724 2 10 -14 3 158.990 32.2167 2 10 -14 4 92.3365 25.2010 2 10 -14 5 185.777 27.3885 2 -10 -13 6 74.3256 51.1865 2 -10 -13 5 447.509 41.5737 2 10 -13 -4 137.611 32.2285 2 10 -13 -3 51.8352 34.3912 2 10 -13 -2 222.824 67.0706 2 10 -13 -1 113.058 44.3289 2 10 -13 0 1015.67 36.9914 2 10 -13 1 546.393 39.6323 2 10 -13 2 226.293 27.3576 2 10 -13 3 91.4001 30.1157 2 10 -13 4 50.9962 29.3228 2 10 -13 5 58.3265 36.2407 2 -10 -12 7 10.0591 41.0362 2 -10 -12 5 394.435 45.7081 2 10 -12 -4 204.535 32.9069 2 10 -12 -3 267.335 44.5105 2 10 -12 -2 296.307 75.7734 2 10 -12 -1 89.0414 49.2018 2 10 -12 0 347.707 38.9083 2 10 -12 1 115.135 36.3653 2 10 -12 2 526.258 34.6555 2 10 -12 3 302.702 34.0172 2 10 -12 4 357.781 29.0037 2 -10 -11 7 234.226 50.6479 2 -10 -11 6 117.768 35.9161 2 10 -11 -5 754.299 65.6736 2 10 -11 -4 232.636 41.3282 2 10 -11 -3 14.7933 47.7518 2 10 -11 -2 76.0783 51.9343 2 10 -11 -1 326.430 51.6803 2 10 -11 0 2919.58 46.2180 2 10 -11 1 1133.17 41.5762 2 10 -11 2 373.931 37.1893 2 10 -11 3 336.148 32.7920 2 10 -11 4 180.333 38.3284 2 10 -11 5 40.2984 41.3859 2 10 -11 6 49.1869 22.9571 2 -10 -10 7 82.4614 57.0770 2 -10 -10 6 7.92005 39.6424 2 -10 -10 5 1143.33 58.5504 2 10 -10 -4 1074.27 69.3262 2 10 -10 -3 775.264 49.7696 2 10 -10 -2 563.925 52.4260 2 10 -10 -1 202.369 52.3381 2 10 -10 0 1625.88 40.7600 2 10 -10 1 264.106 37.0405 2 10 -10 2 274.936 36.7320 2 10 -10 3 192.093 32.8024 2 10 -10 4 157.653 38.1432 2 10 -10 5 146.699 73.7766 2 10 -10 6 55.3086 26.4147 2 -10 -9 7 48.9231 63.4250 2 -10 -9 6 222.110 83.4405 2 10 -9 -5 639.599 47.7578 2 10 -9 -4 181.009 70.1082 2 10 -9 -3 247.539 55.0304 2 10 -9 -2 113.615 67.4342 2 10 -9 -1 101.620 45.5197 2 10 -9 0 2290.73 44.7438 2 10 -9 1 234.987 39.6425 2 10 -9 2 16.4194 38.5917 2 10 -9 3 115.849 33.5803 2 10 -9 4 208.144 37.8921 2 10 -9 5 297.505 58.7831 2 10 -9 6 120.324 26.7277 2 -10 -8 7-28.6922 60.8606 2 -10 -8 6 117.976 87.1302 2 10 -8 -5 495.739 65.3260 2 10 -8 -4 306.103 73.9012 2 10 -8 -3 231.815 57.3392 2 10 -8 -2 241.240 64.4643 2 10 -8 -1 54.4476 41.3666 2 10 -8 0 710.272 51.4028 2 10 -8 1 22.2722 41.4097 2 10 -8 2 171.599 44.4119 2 10 -8 3 72.0950 35.6376 2 10 -8 4 120.539 31.4687 2 10 -8 5 265.906 35.1086 2 10 -8 6 66.3751 50.9907 2 10 -8 7 110.316 22.4778 2 -10 -7 8 0.44770 47.6531 2 -10 -7 7 185.060 74.5182 2 -10 -7 6 199.807 94.0180 2 10 -7 -5 151.702 65.9633 2 10 -7 -4 158.421 76.5027 2 10 -7 -3 157.434 83.4376 2 10 -7 -2 108.057 72.6763 2 10 -7 -1 68.7881 43.0226 2 10 -7 0 1518.92 55.6130 2 10 -7 1 75.3748 43.6337 2 10 -7 2 77.7787 39.0864 2 10 -7 3 55.3327 43.7046 2 10 -7 4 143.619 38.5710 2 10 -7 5 140.858 47.6881 2 10 -7 6-6.54447 54.7804 2 10 -7 7 12.9569 21.2089 2 -10 -6 8 86.0054 48.4859 2 -10 -6 7 80.2814 76.2267 2 -10 -6 6 115.980 96.1749 2 10 -6 -5 173.163 67.7575 2 10 -6 -4 75.0065 66.1574 2 10 -6 -3 61.0782 69.6990 2 10 -6 -2 483.272 76.4571 2 10 -6 -1 106.949 53.5429 2 10 -6 0 142.569 53.4082 2 10 -6 1 117.663 46.4235 2 10 -6 2 220.028 53.2817 2 10 -6 3 164.805 46.1506 2 10 -6 4 128.391 41.0042 2 10 -6 5 54.5649 42.9023 2 10 -6 6 109.690 43.8522 2 10 -6 7 20.2744 23.2737 2 -10 -6 -8 61.3642 52.7915 2 -10 -5 8 46.3257 54.1495 2 -10 -5 7-78.9931 79.1545 2 -10 -5 6 294.950 103.322 2 10 -5 -5 70.3495 68.3953 2 10 -5 -4 142.087 67.9588 2 10 -5 -3 207.899 72.2663 2 10 -5 -2 122.932 67.4521 2 10 -5 -1 114.559 65.4216 2 10 -5 0 269.783 49.5091 2 10 -5 1 561.278 58.2623 2 10 -5 2 39.6283 54.6293 2 10 -5 3 52.4843 45.3516 2 10 -5 4 65.8365 39.2017 2 10 -5 5 159.189 33.6623 2 10 -5 6 100.522 45.8452 2 10 -5 7 131.117 28.1638 2 -10 -5 -8 129.902 59.8351 2 -10 -4 8 77.0668 54.8855 2 -10 -4 7-47.5593 80.9796 2 10 -4 -5 414.878 62.2569 2 10 -4 -4 79.7822 55.8355 2 10 -4 -3 225.525 59.4760 2 10 -4 -2 185.272 60.9855 2 10 -4 -1 77.3119 61.2240 2 10 -4 0 343.115 52.9990 2 -10 -4 -1 176.288 61.7898 2 10 -4 2 180.040 67.0984 2 10 -4 3 198.950 43.5165 2 10 -4 4 419.212 41.7901 2 10 -4 5 473.581 32.5268 2 10 -4 6 202.767 33.5228 2 10 -4 7 43.6906 37.0595 2 -10 -4 -8 93.8007 62.8006 2 -10 -3 8 361.928 54.1141 2 -10 -3 7 221.529 83.5727 2 -10 -3 6 109.560 84.4505 2 10 -3 -5 592.884 53.4548 2 10 -3 -4 174.051 58.6893 2 10 -3 -3 427.912 53.1009 2 10 -3 -2 97.5843 54.5671 2 10 -3 -1 224.403 56.2085 2 10 -3 0 4187.52 52.9527 2 -10 -3 -1 635.556 65.6400 2 10 -3 2 60.5485 58.7386 2 10 -3 3 224.251 45.1707 2 10 -3 4 12.8576 42.3391 2 10 -3 5 322.436 37.5043 2 10 -3 6 247.526 36.3625 2 10 -3 7 172.796 32.4510 2 -10 -3 -8 481.142 68.1635 2 -10 -2 7 5.96565 54.6477 2 -10 -2 6 114.924 73.8667 2 10 -2 -5 2039.86 57.4272 2 10 -2 -4 2993.02 67.3309 2 10 -2 -3 1881.82 58.8882 2 10 -2 -2 1054.76 59.1243 2 10 -2 -1 55.3191 56.9623 2 10 -2 0 1125.34 50.1544 2 -10 -2 -1 158.221 53.9473 2 10 -2 2-65.7440 46.9484 2 10 -2 3 809.883 51.4683 2 10 -2 4 941.433 68.9029 2 10 -2 5 1095.81 45.1403 2 10 -2 6 99.2921 36.7612 2 10 -2 7 106.048 33.1917 2 10 -2 8 34.5023 36.0844 2 -10 -1 8 623.380 65.3811 2 -10 -1 7 545.467 57.4627 2 -10 -1 6 207.732 77.9545 2 -10 -1 5 730.723 90.7716 2 10 -1 -4 238.714 56.9123 2 10 -1 -3 302.968 59.9222 2 10 -1 -2 367.030 62.3392 2 10 -1 -1 1535.57 67.3930 2 10 -1 0 13037.5 89.8741 2 -10 -1 -1 1745.97 57.6727 2 -10 -1 -2 258.286 58.9114 2 10 -1 3 418.954 67.0511 2 10 -1 4 53.5146 54.1349 2 10 -1 5 160.979 46.8846 2 10 -1 6 244.967 37.3935 2 10 -1 7 159.927 33.4349 2 10 -1 8 474.974 38.9191 2 -10 0 8-66.1571 64.0686 2 -10 0 7 65.6131 82.6224 2 -10 0 6 320.993 81.8513 2 -10 0 5 2027.96 96.9943 2 10 0 -4 4340.79 56.1329 2 10 0 -3 2415.69 53.9348 2 10 0 -2 274.688 51.9048 2 10 0 -1 336.511 73.7042 2 -10 0 0 2479.18 55.9601 2 -10 0 -1 367.915 47.7838 2 -10 0 -2 197.291 66.8692 2 10 0 3 2516.11 63.7451 2 10 0 4 2879.34 55.4668 2 10 0 5 2256.57 48.6599 2 10 0 6 213.612 38.6416 2 10 0 7 61.5500 34.7302 2 10 0 8-10.5026 38.4456 2 -10 0 -9 96.4259 44.0221 2 -10 1 8 560.876 67.7314 2 -10 1 7 703.650 88.3095 2 -10 1 6 265.558 62.2587 2 -10 1 5 824.388 68.0070 2 10 1 -4 143.175 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3 -2 259.771 45.6922 2 -10 3 -3 499.207 53.4418 2 10 3 4 125.259 53.9716 2 10 3 5 346.359 61.4850 2 10 3 6 251.972 42.8842 2 10 3 7 152.368 39.9141 2 -10 3 -8 291.876 63.3472 2 -10 4 8 43.0874 65.7777 2 -10 4 7 71.9133 50.5286 2 -10 4 6 37.4182 60.1505 2 -10 4 5 221.056 53.9482 2 -10 4 4 138.770 45.2897 2 10 4 -3 101.245 38.2936 2 -10 4 2 115.523 42.8269 2 -10 4 1 136.207 41.2078 2 -10 4 0 749.778 41.4758 2 -10 4 -1 119.412 45.5451 2 -10 4 -2 197.272 45.9249 2 -10 4 -3 116.468 53.9328 2 10 4 4 271.447 48.8938 2 10 4 5 316.270 55.8621 2 10 4 6 166.008 48.4599 2 -10 4 -7 45.7902 77.3940 2 -10 4 -8 61.4585 57.5374 2 -10 5 8 21.8915 41.0116 2 -10 5 7-21.2380 49.1985 2 -10 5 6-136.607 58.8329 2 -10 5 5 5.36982 44.8874 2 -10 5 4-71.1820 44.4908 2 10 5 -3 84.3918 35.9393 2 -10 5 2 132.675 39.4724 2 -10 5 1 58.5178 41.1443 2 -10 5 0 182.970 40.8804 2 -10 5 -1 363.636 45.7029 2 -10 5 -2 85.5116 40.5427 2 -10 5 -3 78.6223 44.0309 2 -10 5 -4 49.7103 45.1130 2 10 5 5 156.411 46.8643 2 10 5 6 39.3871 46.8073 2 10 5 7 91.4685 32.6980 2 -10 5 -8 48.9076 52.1343 2 -10 6 8 15.2888 53.1426 2 -10 6 7-22.2302 60.1352 2 -10 6 6-69.8569 73.3905 2 -10 6 5-35.5340 49.1303 2 -10 6 4 23.7460 43.9134 2 -10 6 3 31.8861 40.7590 2 -10 6 2 202.921 38.2563 2 -10 6 1 40.6869 42.3264 2 -10 6 0 323.331 40.4655 2 -10 6 -1 116.179 45.0254 2 -10 6 -2 284.979 40.1726 2 -10 6 -3 168.019 39.2909 2 -10 6 -4 44.6005 44.3680 2 10 6 5 61.2785 40.0072 2 10 6 6 96.6709 44.6859 2 10 6 7 57.4987 31.4485 2 -10 6 -8 78.8059 46.6037 2 -10 7 8 9.95141 37.5723 2 -10 7 7-14.0756 46.5702 2 -10 7 6-48.6267 71.4184 2 -10 7 5 7.26792 47.4592 2 -10 7 4 63.8523 41.6680 2 -10 7 3-12.4572 39.7922 2 -10 7 2 95.9558 37.9918 2 -10 7 1 23.5235 38.9514 2 -10 7 0 1095.71 40.9035 2 -10 7 -1 90.0188 43.9430 2 -10 7 -2 59.7952 39.1656 2 -10 7 -3 107.552 39.1236 2 -10 7 -4 85.8749 43.3413 2 10 7 5 216.937 38.9774 2 10 7 6 92.6893 40.1772 2 10 7 7 8.62999 29.1423 2 -10 8 8 28.0169 34.4039 2 -10 8 7 37.8204 44.4060 2 -10 8 6-2.25531 54.6814 2 -10 8 5 68.8140 38.6511 2 -10 8 4 122.819 39.1610 2 -10 8 3 24.6718 38.3627 2 -10 8 2 4.12043 36.2373 2 -10 8 1 80.8347 39.9470 2 -10 8 0 949.020 45.3181 2 -10 8 -1 92.1280 41.5347 2 -10 8 -2 264.943 38.9817 2 -10 8 -3 140.500 35.1472 2 -10 8 -4 109.315 41.8090 2 10 8 5 244.111 37.6205 2 10 8 6 81.5831 32.6971 2 -10 8 -7 150.225 52.5046 2 -10 9 7 126.188 41.0567 2 -10 9 6 69.8693 36.7504 2 -10 9 5 380.285 37.5587 2 -10 9 4 52.9569 34.5415 2 -10 9 3 58.7815 35.1692 2 -10 9 2 38.0134 39.6207 2 -10 9 1 108.252 36.3671 2 -10 9 0 1971.46 42.7822 2 -10 9 -1 122.720 43.0530 2 -10 9 -2 132.669 35.0871 2 -10 9 -3 130.706 33.5398 2 -10 9 -4 191.056 32.3740 2 -10 9 -5 249.590 37.2654 2 10 9 6 103.860 30.4579 2 -10 10 7-13.2019 42.8447 2 -10 10 6 63.7490 34.7717 2 -10 10 5 648.149 36.0456 2 -10 10 4 658.767 34.3923 2 -10 10 3 488.970 34.9018 2 -10 10 2 383.294 36.3730 2 -10 10 1 276.733 34.6446 2 -10 10 0 1443.26 38.0156 2 -10 10 -1 231.431 38.5082 2 -10 10 -2 145.063 34.7777 2 -10 10 -3 279.698 33.1185 2 -10 10 -4 316.294 30.5931 2 -10 10 -5 509.354 35.2765 2 10 10 6 105.769 38.8162 2 -10 11 7 126.915 53.3975 2 -10 11 6 69.4538 41.5130 2 -10 11 5 357.970 32.3231 2 -10 11 4 84.0153 33.3116 2 -10 11 3-16.7144 34.8452 2 -10 11 2 32.1382 35.5792 2 -10 11 1 317.968 32.8462 2 -10 11 0 2001.65 38.0855 2 -10 11 -1 637.733 38.3389 2 -10 11 -2 446.404 40.2503 2 -10 11 -3 351.183 33.1167 2 -10 11 -4 180.858 29.3449 2 -10 11 -5 85.7732 37.1179 2 10 11 6 147.677 28.7032 2 -10 12 6 10.8794 30.7322 2 -10 12 5 244.250 35.2259 2 -10 12 4 202.289 31.1241 2 -10 12 3 72.3681 32.5096 2 -10 12 2 147.369 35.4371 2 -10 12 1 63.4585 35.9375 2 -10 12 0 225.079 32.7207 2 -10 12 -1 93.4583 36.6529 2 -10 12 -2 379.411 36.4873 2 -10 12 -3 154.266 30.2021 2 -10 12 -4 242.294 27.3862 2 -10 12 -5 759.490 28.4667 2 10 12 6 255.690 34.1265 2 -10 13 6 102.770 25.7140 2 -10 13 5 163.122 26.0604 2 -10 13 4-4.75371 27.7022 2 -10 13 3-0.34110 27.4387 2 -10 13 2 118.581 31.7608 2 -10 13 1 150.516 35.8418 2 -10 13 0 549.887 30.4746 2 -10 13 -1 317.901 34.2048 2 -10 13 -2 64.5241 30.6031 2 -10 13 -3 81.1186 28.0393 2 -10 13 -4 117.825 24.3588 2 -10 13 -5 52.3052 23.1170 2 -10 14 6 31.7976 44.7305 2 -10 14 5 269.348 25.2168 2 -10 14 4 110.323 24.5925 2 -10 14 3 134.370 28.4892 2 -10 14 2 113.564 27.4773 2 -10 14 1 7.66413 33.6253 2 -10 14 0 81.2568 30.6835 2 -10 14 -1 35.8107 26.2775 2 -10 14 -2 55.2813 28.4693 2 -10 14 -3 61.0773 26.4141 2 -10 14 -4 105.436 26.8353 2 10 14 5 136.604 27.6022 2 -10 15 5 43.8654 29.6194 2 -10 15 4-22.8279 21.9788 2 -10 15 3-20.8943 25.8175 2 -10 15 2-3.78937 24.3862 2 -10 15 1 65.0355 27.7912 2 -10 15 0 181.724 26.2797 2 -10 15 -1 366.280 24.7388 2 -10 15 -2 115.605 24.7925 2 -10 15 -3 43.1689 23.4975 2 -10 15 -4 124.711 24.4961 2 -10 16 4 55.3091 22.9480 2 -10 16 3 77.8300 24.5564 2 -10 16 2 77.4745 20.9956 2 -10 16 1 44.9350 22.6909 2 -10 16 0 28.1752 24.1948 2 -10 16 -1 44.6051 22.5699 2 -10 16 -2 41.6167 20.7443 2 -10 16 -3 53.9363 21.0062 2 -10 17 4-39.4082 47.4421 2 -10 17 3 36.7790 22.0679 2 -10 17 2-6.32818 27.6353 2 -10 17 1 23.6403 17.9581 2 -10 17 0 23.8489 18.6356 2 -10 17 -1 75.2299 22.0064 2 -10 17 -2 26.8776 26.5918 2 -10 17 -3-48.7032 29.1212 2 -10 18 2-55.8971 49.4709 2 -10 18 1 51.8116 24.4373 2 -10 18 0 108.347 29.1854 2 -10 18 -1 7.12913 44.7245 2 10 19 -1 45.9410 32.3721 2 11 -14 -2 30.7201 37.4827 2 11 -14 -1 88.1562 26.0980 2 11 -14 0 69.0270 27.0157 2 11 -14 1 72.9190 34.5485 2 -11 -13 3 12.6058 31.4252 2 11 -13 -2 130.151 25.5352 2 11 -13 -1 83.9061 27.9448 2 11 -13 0 214.876 27.1920 2 11 -13 1 154.241 24.9919 2 11 -13 2 80.6951 34.3915 2 -11 -12 4 48.1695 50.9434 2 -11 -12 3 59.8263 36.8716 2 11 -12 -2 28.5099 42.8586 2 11 -12 -1 308.667 32.4679 2 11 -12 0 64.1694 30.5358 2 11 -12 1 61.4501 29.0643 2 11 -12 2 16.8152 34.4032 2 11 -12 3 24.3082 22.9562 2 -11 -11 4 73.9398 36.0063 2 11 -11 -3 185.357 25.2844 2 11 -11 -2 72.0612 33.4587 2 11 -11 -1 78.1281 54.9723 2 11 -11 0 32.2643 34.4094 2 11 -11 1 465.863 26.8637 2 11 -11 2 61.1866 26.3858 2 11 -11 3 69.8975 22.0918 2 11 -11 4 37.2617 21.2307 2 -11 -10 5 35.5599 54.7184 2 11 -10 -4 288.527 50.6600 2 11 -10 -3 248.966 46.6515 2 11 -10 -2 441.601 38.4556 2 11 -10 -1 16.6400 60.4061 2 11 -10 0 164.610 29.1339 2 11 -10 1 205.143 27.7896 2 11 -10 2 59.8643 25.5887 2 11 -10 3 40.6838 25.1537 2 11 -10 4 100.600 20.4299 2 -11 -9 6 83.6833 44.6007 2 -11 -9 5 199.241 61.0408 2 11 -9 -4 231.060 34.9035 2 11 -9 -3 157.312 35.2491 2 11 -9 -2 65.8862 36.5363 2 11 -9 -1-24.6059 52.9840 2 11 -9 0 570.849 34.1701 2 11 -9 1 877.251 31.8054 2 11 -9 2 32.1681 27.6573 2 11 -9 3 139.150 24.6537 2 11 -9 4 125.354 27.7897 2 -11 -8 6 65.1524 49.6534 2 -11 -8 5 240.238 67.7215 2 11 -8 -4 1142.60 45.0308 2 11 -8 -3 692.282 36.9469 2 11 -8 -2 1000.31 42.5558 2 11 -8 -1 369.450 52.3958 2 11 -8 0 643.259 35.3414 2 11 -8 1 103.317 30.6185 2 11 -8 2 131.222 28.6335 2 11 -8 3 140.093 25.6579 2 11 -8 4 428.962 28.9284 2 11 -8 5 283.603 24.4847 2 -11 -7 6 229.691 41.7614 2 -11 -7 5 849.108 57.9089 2 11 -7 -4 466.128 46.5585 2 11 -7 -3 124.501 38.1399 2 11 -7 -2 195.044 43.3185 2 11 -7 -1 1018.58 52.2332 2 11 -7 0 2505.78 41.0891 2 11 -7 1 1298.00 33.6293 2 11 -7 2 482.999 31.9135 2 11 -7 3 419.437 28.2770 2 11 -7 4 243.165 30.6752 2 11 -7 5 134.185 24.6662 2 -11 -6 6 94.2663 58.5644 2 -11 -6 5 394.088 37.7330 2 11 -6 -4 951.880 56.4499 2 11 -6 -3 380.297 54.9717 2 11 -6 -2 927.427 60.4440 2 11 -6 -1 300.973 52.8881 2 -11 -6 0 512.927 51.0988 2 11 -6 1 65.9672 32.9412 2 11 -6 2 104.203 32.4319 2 11 -6 3 188.941 29.5830 2 11 -6 4 407.999 25.3527 2 11 -6 5 587.953 28.0344 2 -11 -6 -6-52.0449 52.8567 2 -11 -5 6 35.6336 62.9966 2 11 -5 -5 1218.75 47.5026 2 11 -5 -4 328.165 55.4366 2 11 -5 -3 71.4809 57.0878 2 11 -5 -2 211.853 60.7850 2 11 -5 -1 407.949 55.9782 2 11 -5 0 1527.89 57.9589 2 11 -5 1 684.770 42.1615 2 11 -5 2 783.873 34.6076 2 11 -5 3 241.916 31.4854 2 11 -5 4 201.155 26.8522 2 11 -5 5 160.534 28.6995 2 11 -5 6 89.6655 25.6751 2 -11 -4 6-49.3579 63.2742 2 11 -4 -5 476.860 45.1850 2 11 -4 -4 359.379 56.8493 2 11 -4 -3 363.298 65.4945 2 11 -4 -2 530.091 63.9432 2 11 -4 -1 343.351 58.6280 2 11 -4 0 1104.39 60.7197 2 11 -4 1 165.294 42.1870 2 11 -4 2 316.387 34.9282 2 11 -4 3 186.947 39.4342 2 11 -4 4 450.162 34.5886 2 11 -4 5 665.253 32.1367 2 11 -4 6 169.124 22.7368 2 -11 -3 6-21.6225 63.6091 2 11 -3 -4 167.938 50.2177 2 11 -3 -3 9.05559 56.8227 2 11 -3 -2 317.340 59.1382 2 11 -3 -1 145.135 51.5185 2 11 -3 0 1152.98 53.2857 2 11 -3 1 403.898 43.4615 2 11 -3 2 366.792 43.5394 2 11 -3 3 68.1402 41.3750 2 11 -3 4 105.213 35.0170 2 -11 -3 -5 184.101 45.1708 2 11 -3 6 114.803 23.6035 2 -11 -3 -7 216.681 51.1280 2 -11 -2 6 50.5068 63.0063 2 -11 -2 5 478.872 109.077 2 11 -2 -4 254.809 50.8580 2 11 -2 -3 291.776 59.0517 2 11 -2 -2 223.542 48.2491 2 11 -2 -1 447.932 49.5332 2 11 -2 0 1131.74 54.4594 2 -11 -2 -1 268.181 57.5897 2 -11 -2 -2 227.096 58.9447 2 11 -2 3 175.021 42.5515 2 11 -2 4 147.096 36.6585 2 11 -2 5 405.680 30.2128 2 -11 -2 -6 87.3252 35.0833 2 -11 -2 -7 9.82611 51.7811 2 -11 -1 6 32.7373 59.6698 2 -11 -1 5 4.42286 110.594 2 11 -1 -4 78.6171 50.2744 2 11 -1 -3 47.7803 48.3545 2 11 -1 -2 2.75003 46.8607 2 11 -1 -1 72.6841 47.9559 2 11 -1 0 529.891 57.2809 2 11 -1 1 490.655 59.6031 2 11 -1 2 102.414 74.8493 2 11 -1 3 136.742 46.5898 2 11 -1 4 128.801 40.5548 2 11 -1 5 113.160 32.2893 2 11 -1 6 58.5372 41.4162 2 -11 0 5-62.8319 61.8437 2 11 0 -4 8.81345 42.6828 2 11 0 -3 36.7396 44.4491 2 11 0 -2-63.0970 44.8936 2 11 0 -1 20.4887 46.3767 2 11 0 0 104.661 46.4785 2 11 0 1 310.117 47.1826 2 -11 0 -2 23.9690 63.4804 2 11 0 3 46.3830 44.2567 2 11 0 4 40.9817 38.3186 2 11 0 5 6.97926 31.1173 2 -11 0 -6-5.35827 36.3494 2 -11 0 -7 104.224 52.7165 2 -11 1 6-15.6533 65.3384 2 -11 1 5 220.853 64.6977 2 -11 1 4 17.3109 72.1005 2 11 1 -3 35.8478 44.5524 2 11 1 -2 111.970 44.1800 2 11 1 -1 46.7246 45.8310 2 11 1 0 653.566 46.9167 2 11 1 1 314.916 44.4458 2 -11 1 -2 244.707 49.8381 2 11 1 3 86.9557 45.1002 2 11 1 4 137.621 39.0095 2 11 1 5 116.198 31.9934 2 -11 1 -6 32.8672 36.9866 2 -11 1 -7 57.4913 53.1877 2 -11 2 6 55.2178 54.2523 2 -11 2 5 394.294 66.1248 2 -11 2 4 250.924 73.8239 2 11 2 -3 199.283 44.4415 2 11 2 -2 304.864 44.0130 2 11 2 -1 368.944 46.5543 2 11 2 0 1179.77 48.6905 2 11 2 1 138.878 44.6526 2 11 2 2 130.722 35.8257 2 -11 2 -3 102.747 48.9716 2 11 2 4 140.763 39.2474 2 11 2 5 354.663 32.8451 2 -11 2 -6 107.676 36.8974 2 -11 2 -7 3.70730 51.3698 2 -11 3 6 58.8163 67.1423 2 -11 3 5 328.444 65.8157 2 -11 3 4 210.444 73.8288 2 11 3 -3 114.935 47.0396 2 11 3 -2 208.576 39.2370 2 11 3 -1 184.253 40.7291 2 -11 3 0 1215.24 44.7247 2 -11 3 -1 375.435 40.7242 2 11 3 2 471.593 42.5006 2 -11 3 -3 71.3891 48.7297 2 11 3 4 192.379 34.4917 2 11 3 5 160.079 31.9626 2 -11 3 -6 77.8620 35.3588 2 -11 3 -7 172.607 48.2676 2 -11 4 6 29.6878 66.6324 2 -11 4 5 321.332 80.6392 2 -11 4 4 295.067 47.1351 2 11 4 -3 513.607 41.0131 2 11 4 -2 407.086 41.1240 2 11 4 -1 322.541 41.1819 2 -11 4 0 887.152 43.4787 2 -11 4 -1 121.166 40.1517 2 -11 4 -2 277.939 37.7867 2 -11 4 -3 91.1005 38.4627 2 11 4 4 341.305 34.6202 2 11 4 5 586.166 31.9979 2 -11 4 -6 19.6769 63.4152 2 -11 5 6 115.973 54.0572 2 -11 5 5 726.793 54.2435 2 -11 5 4 151.505 49.5726 2 -11 5 3 56.4832 53.7691 2 11 5 -2 74.9194 42.3185 2 -11 5 1 225.927 35.3480 2 -11 5 0 1207.63 39.7248 2 -11 5 -1 690.219 40.7626 2 -11 5 -2 461.239 37.6313 2 11 5 3 118.947 32.6060 2 -11 5 -4 235.515 41.5229 2 11 5 5 228.453 31.0105 2 -11 5 -6 141.986 59.0474 2 -11 6 6 15.8143 36.6529 2 -11 6 5 255.117 46.0340 2 -11 6 4 657.285 50.8093 2 -11 6 3 337.597 43.9253 2 11 6 -2 354.733 41.3047 2 -11 6 1 292.597 34.1540 2 -11 6 0 599.463 37.7623 2 -11 6 -1 156.604 38.6458 2 -11 6 -2 187.940 33.7272 2 11 6 3 150.376 36.9278 2 -11 6 -4 321.069 36.5724 2 11 6 5 455.637 25.5945 2 -11 6 -6-73.9461 51.6283 2 -11 7 6 217.696 37.0737 2 -11 7 5 247.777 55.7800 2 -11 7 4 199.618 40.4036 2 -11 7 3 6.34847 41.8340 2 11 7 -2 185.720 34.2859 2 -11 7 1 609.275 32.9076 2 -11 7 0 2455.14 37.5331 2 -11 7 -1 1162.17 32.9097 2 -11 7 -2 511.776 32.9808 2 -11 7 -3 186.651 32.0930 2 -11 7 -4 193.872 33.6942 2 11 7 5 224.741 27.9351 2 -11 8 6-19.7864 66.7131 2 -11 8 5 241.108 44.4957 2 -11 8 4 456.293 44.4808 2 -11 8 3 265.979 42.5593 2 -11 8 2 570.101 48.8008 2 -11 8 1 313.845 32.9856 2 -11 8 0 555.537 32.5708 2 -11 8 -1 158.611 29.6842 2 -11 8 -2 245.098 31.1369 2 -11 8 -3 290.447 30.5382 2 -11 8 -4 502.946 35.8600 2 11 8 5 356.133 25.3010 2 -11 9 6 104.850 48.9381 2 -11 9 5 135.628 32.8763 2 -11 9 4 85.4146 31.3921 2 -11 9 3 36.6828 39.0469 2 -11 9 2 65.3724 42.3847 2 -11 9 1 102.596 30.1477 2 -11 9 0 613.534 29.8190 2 -11 9 -1 825.441 30.3222 2 -11 9 -2 223.708 28.9137 2 -11 9 -3 189.001 28.0076 2 11 9 4 196.928 25.2152 2 -11 10 5 37.3145 33.6220 2 -11 10 4 134.738 28.2880 2 -11 10 3 56.9561 29.3549 2 -11 10 2 181.920 31.5037 2 -11 10 1 118.014 30.2462 2 -11 10 0 130.559 28.4795 2 -11 10 -1 175.245 31.6211 2 -11 10 -2 55.6937 27.9142 2 -11 10 -3 96.5586 30.9466 2 11 10 4 163.848 25.7320 2 -11 11 5 39.9212 33.9870 2 -11 11 4 0.97713 27.3671 2 -11 11 3 24.1194 28.5138 2 -11 11 2-29.9051 30.7116 2 -11 11 1 57.6600 26.2895 2 -11 11 0 31.7073 23.1243 2 -11 11 -1 328.485 25.2933 2 -11 11 -2 39.4202 26.1590 2 -11 11 -3 32.7739 28.5258 2 11 11 4 75.2309 33.1682 2 -11 12 4 14.3818 32.8086 2 -11 12 3-14.1069 25.5328 2 -11 12 2 25.0194 27.7975 2 -11 12 1 258.359 23.1809 2 -11 12 0 41.4811 23.2104 2 -11 12 -1 57.7625 21.6381 2 -11 12 -2 40.6090 25.3357 2 -11 12 -3 33.0768 21.7327 2 -11 13 3 20.0813 27.3484 2 -11 13 2 42.5366 26.6900 2 -11 13 1 74.1806 21.0596 2 -11 13 0 100.737 21.9998 2 -11 13 -1 200.020 22.6245 2 -11 13 -2 75.2059 27.4652 2 -11 14 3-53.9500 44.2879 2 -11 14 2 3.00592 28.3471 2 -11 14 1 12.2428 19.2297 2 -11 14 0 41.5002 17.5588 2 -11 14 -1 60.1967 22.2196 2 -11 14 -2 43.2351 28.6862 2 12 -9 0 183.331 29.2011 2 12 -8 -2 39.1920 31.5257 2 12 -8 -1 87.5718 32.7897 2 12 -8 0 39.0453 40.2772 2 12 -8 1 182.346 23.1942 2 12 -7 -2 111.025 29.0479 2 12 -7 -1 105.314 24.6214 2 12 -7 0 111.587 42.6500 2 12 -7 1 69.5141 25.0433 2 12 -6 -3 65.0570 28.4818 2 12 -6 -2 152.836 33.3398 2 12 -6 -1 42.0526 26.7258 2 12 -6 1 341.696 32.9050 2 12 -6 2 177.072 28.5434 2 12 -5 -4 210.984 59.0788 2 12 -5 -3 177.711 31.1166 2 12 -5 -2 159.797 35.1832 2 12 -5 -1 278.626 36.8487 2 12 -5 0 307.767 37.6928 2 -12 -5 -1 273.255 78.5441 2 12 -5 2 21.6557 30.4878 2 -12 -5 -3 237.240 62.8251 2 12 -4 -4 113.666 65.7916 2 12 -4 -3 136.285 33.2211 2 12 -4 -2 33.7792 37.8139 2 12 -4 -1 68.6387 39.1002 2 12 -4 0 213.843 35.2804 2 -12 -4 -1 38.8998 81.2812 2 12 -4 2 118.353 33.0954 2 -12 -4 -3 28.0179 64.7410 2 -12 -4 -4 17.3446 52.4981 2 12 -3 -5 227.482 53.7970 2 12 -3 -4 164.454 75.6787 2 12 -3 -3 153.963 88.8949 2 12 -3 -2 106.459 39.4624 2 12 -3 -1 125.067 40.5921 2 12 -3 0 125.209 36.9362 2 -12 -3 -1-104.976 84.2701 2 12 -3 2 111.903 34.7949 2 12 -3 3 65.8882 27.8846 2 -12 -3 -4 47.4388 57.0905 2 12 -2 -5 204.180 63.4476 2 12 -2 -4 281.088 80.8875 2 12 -2 -3 75.4276 34.7904 2 12 -2 -2 320.448 41.0789 2 12 -2 -1 187.934 43.5309 2 12 -2 0 169.718 38.6721 2 12 -2 1 156.826 37.0395 2 -12 -2 -2 330.462 83.5311 2 12 -2 3 9.17495 29.0504 2 -12 -2 -4 289.540 61.5115 2 12 -1 -2 293.125 45.5664 2 12 -1 -1 403.145 49.2173 2 12 -1 0 274.203 48.9323 2 12 -1 1 386.713 47.0847 2 12 -1 3 35.9874 34.5654 2 12 0 -3 88.2776 35.2026 2 12 0 -2 971.796 47.4060 2 12 0 -1 814.358 50.2391 2 12 0 0 236.262 43.8878 2 12 0 1 393.420 42.3574 2 -12 0 -2 1397.31 89.7130 2 12 0 3 78.6092 32.0710 2 -12 0 -4 636.840 65.4877 2 12 1 -5 488.448 66.5908 2 12 1 -4 707.025 86.3093 2 -12 1 3 58.5950 62.1024 2 12 1 -2 218.963 36.0715 2 12 1 -1 329.136 43.9671 2 12 1 0 384.877 40.4830 2 12 1 1 436.819 39.3298 2 -12 1 -2 47.0417 81.6821 2 12 1 3 92.2513 32.0559 2 -12 1 -4 326.418 62.4673 2 12 2 -5 352.170 62.6395 2 -12 2 4 263.075 54.0383 2 -12 2 3 132.166 63.6121 2 12 2 -2 287.672 35.1813 2 12 2 -1 191.358 34.5230 2 12 2 0 274.880 39.8759 2 12 2 1 138.659 37.4873 2 12 2 2 122.321 37.7362 2 -12 2 -3 59.3514 70.1080 2 -12 2 -4 301.362 60.0832 2 12 3 -5 219.577 56.8208 2 -12 3 4 54.0351 54.4884 2 -12 3 3 81.4583 41.6349 2 12 3 -2 67.6145 26.8438 2 12 3 -1 23.7702 29.2485 2 12 3 0 93.1364 33.3638 2 12 3 1 265.984 40.5776 2 12 3 2 175.177 36.8987 2 -12 3 -3 126.240 67.5824 2 -12 3 -4 155.313 56.3913 2 -12 4 4 38.5488 49.6511 2 -12 4 3 23.7813 40.2863 2 -12 4 2 96.1494 37.6932 2 12 4 -1 59.3033 28.3206 2 12 4 0 182.532 27.8834 2 12 4 1 128.747 28.9284 2 12 4 2 56.9658 35.8017 2 -12 4 -3 21.3882 65.4387 2 -12 4 -4 88.8042 53.2368 2 12 5 -4 258.278 67.3733 2 -12 5 3 90.2082 39.8729 2 -12 5 2 45.1836 36.4554 2 12 5 -1 213.363 27.5400 2 12 5 0 160.489 28.2016 2 12 5 1 110.082 26.1884 2 12 5 2 92.3818 33.0510 2 12 5 3 61.7250 28.0143 2 -12 6 3 0.28642 36.3849 2 -12 6 2 126.998 40.5401 2 -12 6 1-33.2244 35.6542 2 12 6 0 124.618 26.3770 2 12 6 1 213.246 25.3002 2 12 6 2 90.9623 30.8892 2 -12 7 3-2.76718 40.3580 2 -12 7 2 73.7563 37.5127 2 -12 7 1 38.3642 33.0730 2 12 7 0 156.575 25.7702 2 12 7 1 51.9965 24.9358 2 12 7 2 104.294 32.4169 2 -12 8 2 11.8672 32.9425 2 -12 8 1 79.0185 42.6950 2 -12 8 0 23.1078 33.3567 2 -12 8 -1 119.403 34.8984 2 -12 9 1 47.9435 48.3277 2 -12 9 0 34.2589 33.3527 2 0 0 0 0.00000 0.00000 0 TITL exp_1983_twin1_hklf4 in P2(1) REM P2(1) (#4 in standard setting) CELL 1.54184 10.199708 24.657166 11.429798 90.0000 92.4691 90.0000 ZERR 2.00 0.000198 0.000587 0.000209 0.0000 0.0017 0.0000 LATT -1 SYMM -x, y+1/2,-z SFAC C H N O Co UNIT 96.00 72.00 16.00 24.00 4.00 TREF HKLF 5 BASF 0.43357 END ; _shelx_hkl_checksum 20960 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -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 Co1 Co 1.02809(17) 0.49999(7) 0.42687(15) 0.0395(5) Uani 1 1 d . . . . . N1 N 1.1108(10) 0.4203(4) 0.4410(9) 0.046(2) Uani 1 1 d . . . . . Co2 Co 0.53191(17) 0.58094(7) 0.44372(15) 0.0397(5) Uani 1 1 d . . . . . C2 C 1.0456(12) 0.3809(5) 0.4963(13) 0.052(3) Uani 1 1 d . . . . . H2 H 0.959069 0.388117 0.519881 0.062 Uiso 1 1 calc R U . . . C3 C 1.0993(14) 0.3312(6) 0.5196(14) 0.058(3) Uani 1 1 d . . . . . H3 H 1.051755 0.304904 0.561232 0.069 Uiso 1 1 calc R U . . . C4 C 1.2242(13) 0.3193(5) 0.4821(11) 0.049(3) Uani 1 1 d . . . . . C5 C 1.2905(13) 0.3595(6) 0.4242(12) 0.051(3) Uani 1 1 d . . . . . H5 H 1.375730 0.353073 0.396877 0.061 Uiso 1 1 calc R U . . . C6 C 1.2291(12) 0.4096(5) 0.4070(11) 0.045(2) Uani 1 1 d . . . . . H6 H 1.275421 0.437348 0.368718 0.054 Uiso 1 1 calc R U . . . C7 C 1.2856(13) 0.2652(5) 0.5060(12) 0.048(3) Uani 1 1 d . . . . . C8 C 1.2064(14) 0.2204(6) 0.5168(18) 0.070(4) Uani 1 1 d . . . . . H8 H 1.113633 0.223872 0.509273 0.084 Uiso 1 1 calc R U . . . C9 C 1.2641(16) 0.1696(6) 0.5391(16) 0.065(4) Uani 1 1 d . . . . . H9 H 1.208517 0.139220 0.549435 0.078 Uiso 1 1 calc R U . . . N10 N 1.3914(10) 0.1623(4) 0.5463(9) 0.045(2) Uani 1 1 d . . . . . C11 C 1.4685(14) 0.2061(6) 0.5344(16) 0.064(4) Uani 1 1 d . . . . . H11 H 1.561037 0.201543 0.539680 0.077 Uiso 1 1 calc R U . . . C12 C 1.4175(15) 0.2575(5) 0.5149(16) 0.064(4) Uani 1 1 d . . . . . H12 H 1.474973 0.287545 0.507688 0.077 Uiso 1 1 calc R U . . . N13 N 1.0307(10) 0.4920(4) 0.2378(8) 0.046(2) Uani 1 1 d . . . . . C14 C 1.1359(13) 0.5072(6) 0.1773(10) 0.049(3) Uani 1 1 d . . . . . H14 H 1.210373 0.520887 0.220438 0.059 Uiso 1 1 calc R U . . . C15 C 1.1419(12) 0.5041(7) 0.0582(10) 0.054(3) Uani 1 1 d . . . . . H15 H 1.219767 0.514155 0.020900 0.065 Uiso 1 1 calc R U . . . C16 C 1.0317(12) 0.4860(5) -0.0083(11) 0.048(3) Uani 1 1 d . . . . . C18 C 0.9299(13) 0.4718(6) 0.1740(11) 0.049(3) Uani 1 1 d . . . . . H18 H 0.856340 0.459033 0.214131 0.059 Uiso 1 1 calc R U . . . C17 C 0.9250(13) 0.4683(6) 0.0525(11) 0.051(3) Uani 1 1 d . . . . . H17 H 0.849642 0.453880 0.011703 0.062 Uiso 1 1 calc R U . . . C19 C 1.0299(13) 0.4876(5) -0.1377(11) 0.048(3) Uani 1 1 d . . . . . C20 C 1.1417(13) 0.4832(6) -0.2015(11) 0.052(3) Uani 1 1 d . . . . . H20 H 1.224079 0.476507 -0.162093 0.062 Uiso 1 1 calc R U . . . C21 C 1.1345(12) 0.4883(6) -0.3212(11) 0.051(3) Uani 1 1 d . . . . . H21 H 1.212796 0.484326 -0.362499 0.061 Uiso 1 1 calc R U . . . N22 N 1.0227(10) 0.4986(4) -0.3826(9) 0.046(2) Uani 1 1 d . . . . . C23 C 0.9143(13) 0.5022(7) -0.3233(11) 0.053(3) Uani 1 1 d . . . . . H23 H 0.833771 0.509498 -0.365136 0.064 Uiso 1 1 calc R U . . . C24 C 0.9130(12) 0.4955(6) -0.2007(11) 0.052(3) Uani 1 1 d . . . . . H24 H 0.832494 0.496487 -0.161883 0.062 Uiso 1 1 calc R U . . . N25 N 0.5313(10) 0.5850(5) 0.6317(8) 0.045(2) Uani 1 1 d . . . . . C26 C 0.4206(14) 0.5811(8) 0.6906(12) 0.063(4) Uani 1 1 d . . . . . H26 H 0.339896 0.577668 0.646510 0.076 Uiso 1 1 calc R U . . . C27 C 0.4166(15) 0.5816(8) 0.8125(12) 0.066(4) Uani 1 1 d . . . . . H27 H 0.335814 0.577223 0.849782 0.079 Uiso 1 1 calc R U . . . C28 C 0.5327(13) 0.5887(6) 0.8782(11) 0.051(3) Uani 1 1 d . . . . . C29 C 0.6481(12) 0.5956(6) 0.8170(11) 0.051(3) Uani 1 1 d . . . . . H29 H 0.729601 0.601565 0.858388 0.061 Uiso 1 1 calc R U . . . C30 C 0.6419(12) 0.5937(6) 0.6973(11) 0.050(3) Uani 1 1 d . . . . . H30 H 0.721134 0.598789 0.657904 0.059 Uiso 1 1 calc R U . . . C31 C 0.5333(12) 0.5890(6) 1.0071(10) 0.049(3) Uani 1 1 d . . . . . C32 C 0.4223(14) 0.6038(6) 1.0688(12) 0.056(3) Uani 1 1 d . . . . . H32 H 0.344649 0.615410 1.027268 0.067 Uiso 1 1 calc R U . . . C33 C 0.4260(13) 0.6013(6) 1.1889(11) 0.051(3) Uani 1 1 d . . . . . H33 H 0.349352 0.611150 1.228234 0.062 Uiso 1 1 calc R U . . . N34 N 0.5329(10) 0.5856(5) 1.2541(8) 0.046(2) Uani 1 1 d . . . . . C35 C 0.6415(12) 0.5733(6) 1.1943(10) 0.048(3) Uani 1 1 d . . . . . H35 H 0.719117 0.563302 1.237895 0.058 Uiso 1 1 calc R U . . . C36 C 0.6448(13) 0.5747(6) 1.0752(12) 0.052(3) Uani 1 1 d . . . . . H36 H 0.723700 0.565769 1.038321 0.063 Uiso 1 1 calc R U . . . C37 C 0.5918(12) 0.4320(5) 0.3096(11) 0.048(3) Uani 1 1 d . . . . . C38 C 0.6676(14) 0.3864(6) 0.2883(13) 0.058(3) Uani 1 1 d . . . . . H38 H 0.725080 0.372578 0.348787 0.069 Uiso 1 1 calc R U . . . C39 C 0.6605(17) 0.3607(7) 0.1804(16) 0.073(4) Uani 1 1 d . . . . . H39 H 0.714497 0.330166 0.166630 0.087 Uiso 1 1 calc R U . . . C40 C 0.5749(17) 0.3796(8) 0.0930(16) 0.073(4) Uani 1 1 d . . . . . H40 H 0.570077 0.361866 0.019224 0.087 Uiso 1 1 calc R U . . . C41 C 0.4978(17) 0.4231(6) 0.1112(13) 0.064(4) Uani 1 1 d . . . . . H41 H 0.438444 0.435617 0.050745 0.077 Uiso 1 1 calc R U . . . C42 C 0.5060(13) 0.4500(6) 0.2217(12) 0.055(3) Uani 1 1 d . . . . . H42 H 0.451885 0.480603 0.234743 0.066 Uiso 1 1 calc R U . . . C43 C 0.6066(13) 0.4609(5) 0.4250(11) 0.048(3) Uani 1 1 d . . . . . H43 H 0.615349 0.433068 0.488515 0.057 Uiso 1 1 calc R U . . . O44 O 0.4957(8) 0.4939(4) 0.4461(7) 0.0454(17) Uani 1 1 d D . . . . H44 H 0.462(14) 0.488(7) 0.510(7) 0.054 Uiso 1 1 d D U . . . C45 C 0.7323(11) 0.4968(5) 0.4299(8) 0.040(2) Uani 1 1 d . . . . . O46 O 0.8383(7) 0.4735(4) 0.4197(7) 0.0437(18) Uani 1 1 d . . . . . O47 O 0.7179(8) 0.5469(4) 0.4481(7) 0.0449(18) Uani 1 1 d . . . . . C48 C 0.1059(12) 0.6564(5) 0.5295(13) 0.053(3) Uani 1 1 d . . . . . C49 C 0.1539(15) 0.7083(6) 0.5248(15) 0.063(3) Uani 1 1 d . . . . . H49 H 0.189260 0.721388 0.454632 0.076 Uiso 1 1 calc R U . . . C50 C 0.1509(19) 0.7426(7) 0.625(2) 0.082(5) Uani 1 1 d . . . . . H50 H 0.182442 0.778814 0.621303 0.098 Uiso 1 1 calc R U . . . C51 C 0.102(2) 0.7228(9) 0.726(2) 0.089(6) Uani 1 1 d . . . . . H51 H 0.101965 0.745287 0.793228 0.107 Uiso 1 1 calc R U . . . C52 C 0.052(2) 0.6703(9) 0.7322(16) 0.088(6) Uani 1 1 d . . . . . H52 H 0.017446 0.656567 0.802296 0.106 Uiso 1 1 calc R U . . . C53 C 0.0539(18) 0.6387(7) 0.6307(14) 0.068(4) Uani 1 1 d . . . . . H53 H 0.017602 0.603292 0.632331 0.081 Uiso 1 1 calc R U . . . C54 C 0.1121(11) 0.6197(5) 0.4212(11) 0.047(3) Uani 1 1 d D . . . . H54 H 0.121098 0.643129 0.350514 0.056 Uiso 1 1 calc R U . . . O55 O -0.0026(8) 0.5873(4) 0.4045(8) 0.0497(18) Uani 1 1 d D . . . . H55 H -0.040(11) 0.595(6) 0.339(7) 0.060 Uiso 1 1 d D U . . . C56 C 0.2335(11) 0.5836(5) 0.4354(8) 0.043(2) Uani 1 1 d . . . . . O57 O 0.2155(8) 0.5334(3) 0.4412(7) 0.0437(17) Uani 1 1 d . . . . . O58 O 0.3421(8) 0.6072(4) 0.4376(7) 0.0450(18) Uani 1 1 d . . . . . N201 N 0.5137(11) 0.4548(5) 0.7281(10) 0.058(3) Uani 1 1 d D . . . . O202 O 0.4794(13) 0.4512(6) 0.8313(10) 0.084(4) Uani 1 1 d D . . . . O203 O 0.6262(10) 0.4600(6) 0.7046(10) 0.072(3) Uani 1 1 d D . . . . O204 O 0.4254(9) 0.4521(5) 0.6465(8) 0.061(2) Uani 1 1 d D . . . . N301 N 0.0041(15) 0.6234(7) 0.1068(12) 0.062(4) Uani 0.813(16) 1 d D . P A 1 O302 O -0.0792(13) 0.6240(7) 0.1865(14) 0.065(3) Uani 0.813(16) 1 d D . P A 1 O303 O 0.1160(14) 0.6291(10) 0.1294(16) 0.077(5) Uani 0.813(16) 1 d D . P A 1 O304 O -0.0382(17) 0.6099(8) 0.0049(13) 0.079(4) Uani 0.813(16) 1 d D . P A 1 N501 N 0.085(5) 0.630(3) 0.026(4) 0.062(4) Uani 0.187(16) 1 d D . P A 2 O502 O 0.132(5) 0.614(2) -0.069(4) 0.065(3) Uani 0.187(16) 1 d D . P A 2 O503 O 0.149(7) 0.638(5) 0.113(6) 0.077(5) Uani 0.187(16) 1 d D . P A 2 O504 O -0.038(5) 0.638(4) 0.017(6) 0.079(4) Uani 0.187(16) 1 d D . P A 2 O505 O -0.117(7) 0.634(2) 0.249(6) 0.063(15) Uani 0.187(16) 1 d . . P A 2 C101 C -0.421(3) 0.7318(9) -0.115(2) 0.104(8) Uani 1 1 d . . . . . C102 C -0.459(3) 0.7236(9) -0.006(2) 0.103(7) Uani 1 1 d . . . . . H102 H -0.548939 0.716488 0.005314 0.123 Uiso 1 1 calc R U . . . C103 C -0.363(3) 0.7251(10) 0.103(2) 0.099(6) Uani 1 1 d . . . . . H10A H -0.405317 0.743897 0.168025 0.119 Uiso 1 1 calc R U . . . H10B H -0.342675 0.687526 0.128804 0.119 Uiso 1 1 calc R U . . . C104 C -0.236(2) 0.7542(10) 0.077(2) 0.097(6) Uani 1 1 d . . . . . C105 C -0.183(3) 0.7327(12) -0.034(3) 0.114(8) Uani 1 1 d . . . . . H10C H -0.166824 0.693246 -0.026134 0.136 Uiso 1 1 calc R U . . . H10D H -0.098797 0.750597 -0.049168 0.136 Uiso 1 1 calc R U . . . C106 C -0.282(3) 0.7428(11) -0.141(2) 0.109(8) Uani 1 1 d . . . . . H10E H -0.274579 0.781003 -0.166924 0.130 Uiso 1 1 calc R U . . . H10F H -0.257770 0.719409 -0.207340 0.130 Uiso 1 1 calc R U . . . C107 C -0.528(4) 0.7292(11) -0.213(3) 0.145(14) Uani 1 1 d . . . . . H10G H -0.525774 0.762299 -0.260082 0.217 Uiso 1 1 calc R U . . . H10H H -0.614093 0.726001 -0.178198 0.217 Uiso 1 1 calc R U . . . H10I H -0.513281 0.697615 -0.262502 0.217 Uiso 1 1 calc R U . . . C108 C -0.255(2) 0.8159(10) 0.073(2) 0.097(6) Uani 1 1 d . . . . . H108 H -0.335599 0.823560 0.023096 0.116 Uiso 1 1 calc R U . . . C109 C -0.278(5) 0.8352(10) 0.193(3) 0.148(15) Uani 1 1 d . . . . . H10J H -0.270845 0.874814 0.195491 0.222 Uiso 1 1 calc R U . . . H10K H -0.213013 0.819160 0.248022 0.222 Uiso 1 1 calc R U . . . H10L H -0.366439 0.824401 0.214455 0.222 Uiso 1 1 calc R U . . . C110 C -0.142(4) 0.8462(15) 0.020(4) 0.157(15) Uani 1 1 d . . . . . H11A H -0.141728 0.838983 -0.064465 0.235 Uiso 1 1 calc R U . . . H11B H -0.058363 0.833844 0.056879 0.235 Uiso 1 1 calc R U . . . H11C H -0.151714 0.885188 0.033076 0.235 Uiso 1 1 calc R U . . . O111 O -0.139(2) 0.7424(7) 0.175(2) 0.124(6) Uani 1 1 d . . . . . H111 H -0.150267 0.710550 0.198672 0.186 Uiso 1 1 calc R U . . . C401 C 0.309(6) 0.822(3) 0.269(8) 0.20(4) Uani 0.59(5) 1 d D U P B 1 H40A H 0.364450 0.843073 0.218507 0.298 Uiso 0.59(5) 1 calc R U P B 1 H40B H 0.292190 0.842045 0.340021 0.298 Uiso 0.59(5) 1 calc R U P B 1 H40C H 0.353327 0.787483 0.289661 0.298 Uiso 0.59(5) 1 calc R U P B 1 C402 C 0.178(5) 0.809(3) 0.203(6) 0.18(2) Uani 0.59(5) 1 d D U P B 1 H402 H 0.132067 0.844152 0.184011 0.212 Uiso 0.59(5) 1 calc R U P B 1 C403 C 0.195(8) 0.778(4) 0.089(7) 0.20(3) Uani 0.59(5) 1 d D U P B 1 H40D H 0.249464 0.799108 0.036848 0.306 Uiso 0.59(5) 1 calc R U P B 1 H40E H 0.237903 0.743050 0.106211 0.306 Uiso 0.59(5) 1 calc R U P B 1 H40F H 0.108938 0.771422 0.049895 0.306 Uiso 0.59(5) 1 calc R U P B 1 O404 O 0.100(5) 0.779(2) 0.276(5) 0.116(12) Uani 0.59(5) 1 d D U P B 1 H404 H 0.080221 0.749059 0.242836 0.174 Uiso 0.59(5) 1 calc R U P B 1 C601 C 0.273(10) 0.830(4) 0.367(10) 0.20(4) Uani 0.41(5) 1 d D . P B 2 H60A H 0.364985 0.839180 0.356338 0.298 Uiso 0.41(5) 1 calc R U P B 2 H60B H 0.225421 0.862477 0.390921 0.298 Uiso 0.41(5) 1 calc R U P B 2 H60C H 0.266868 0.801905 0.426632 0.298 Uiso 0.41(5) 1 calc R U P B 2 C602 C 0.211(8) 0.809(4) 0.250(9) 0.18(2) Uani 0.41(5) 1 d D . P B 2 H602 H 0.220135 0.837100 0.187759 0.212 Uiso 0.41(5) 1 calc R U P B 2 C603 C 0.270(10) 0.755(5) 0.210(12) 0.20(3) Uani 0.41(5) 1 d D . P B 2 H60D H 0.364017 0.759455 0.200489 0.306 Uiso 0.41(5) 1 calc R U P B 2 H60E H 0.254686 0.726993 0.268387 0.306 Uiso 0.41(5) 1 calc R U P B 2 H60F H 0.227195 0.744379 0.134679 0.306 Uiso 0.41(5) 1 calc R U P B 2 O604 O 0.078(7) 0.795(4) 0.258(9) 0.116(12) Uani 0.41(5) 1 d D . P B 2 H604 H 0.068559 0.761565 0.247987 0.174 Uiso 0.41(5) 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 Co1 0.0446(10) 0.0352(10) 0.0388(8) 0.0002(7) 0.0014(7) -0.0002(7) N1 0.052(6) 0.031(5) 0.054(5) 0.003(4) 0.001(4) -0.002(4) Co2 0.0441(10) 0.0356(10) 0.0393(8) -0.0004(7) 0.0023(6) -0.0008(7) C2 0.041(6) 0.039(7) 0.077(8) 0.003(6) 0.006(5) 0.002(5) C3 0.058(7) 0.041(7) 0.075(8) 0.014(6) 0.010(6) -0.004(6) C4 0.049(6) 0.041(7) 0.056(6) 0.004(5) -0.003(5) 0.000(5) C5 0.045(6) 0.042(7) 0.066(8) 0.003(5) 0.007(5) 0.003(5) C6 0.047(6) 0.033(6) 0.056(6) 0.007(5) 0.003(5) 0.000(4) C7 0.055(7) 0.025(5) 0.064(7) 0.002(5) 0.003(5) 0.002(5) C8 0.050(7) 0.028(6) 0.131(15) 0.015(7) 0.010(8) 0.001(5) C9 0.067(9) 0.033(7) 0.095(11) 0.012(6) 0.007(8) -0.004(6) N10 0.047(5) 0.041(6) 0.048(5) 0.001(4) 0.006(4) 0.000(4) C11 0.049(7) 0.042(8) 0.101(11) 0.010(7) -0.001(7) -0.005(5) C12 0.061(8) 0.026(6) 0.107(12) 0.007(6) 0.009(7) -0.004(5) N13 0.056(6) 0.038(5) 0.044(5) 0.001(4) 0.001(4) 0.003(4) C14 0.050(6) 0.057(8) 0.040(5) 0.000(5) 0.001(4) -0.007(5) C15 0.046(6) 0.075(10) 0.042(6) 0.004(6) 0.003(5) -0.002(6) C16 0.047(6) 0.047(7) 0.051(6) -0.004(5) 0.002(5) 0.002(5) C18 0.053(6) 0.051(7) 0.044(6) 0.002(5) 0.001(5) 0.000(5) C17 0.054(7) 0.057(8) 0.043(6) -0.001(5) -0.001(5) 0.000(6) C19 0.063(7) 0.034(6) 0.049(6) -0.002(4) 0.003(5) -0.001(5) C20 0.046(6) 0.058(8) 0.050(6) -0.003(5) -0.002(5) 0.001(5) C21 0.044(6) 0.062(8) 0.047(6) -0.003(5) 0.001(5) 0.001(5) N22 0.054(5) 0.035(5) 0.049(5) 0.001(4) 0.007(4) -0.001(4) C23 0.050(7) 0.056(8) 0.053(7) -0.002(6) -0.001(5) 0.003(6) C24 0.046(6) 0.059(8) 0.051(6) -0.001(6) 0.004(5) -0.002(6) N25 0.048(5) 0.041(5) 0.047(5) -0.001(4) 0.008(4) -0.001(4) C26 0.055(7) 0.083(11) 0.052(7) 0.001(7) 0.003(6) -0.013(8) C27 0.056(7) 0.095(12) 0.047(6) 0.008(7) 0.002(5) -0.010(8) C28 0.051(6) 0.052(8) 0.050(6) 0.001(5) 0.002(5) -0.001(5) C29 0.042(6) 0.060(8) 0.050(6) -0.004(5) -0.001(5) -0.001(5) C30 0.039(6) 0.054(8) 0.056(7) -0.005(5) 0.004(5) 0.003(5) C31 0.053(7) 0.051(7) 0.045(6) -0.002(5) 0.000(5) -0.006(5) C32 0.051(7) 0.061(8) 0.054(7) 0.005(6) 0.001(5) 0.005(6) C33 0.051(6) 0.056(8) 0.047(6) -0.001(5) 0.003(5) 0.003(5) N34 0.049(5) 0.046(6) 0.044(5) -0.003(4) 0.003(4) -0.006(4) C35 0.048(6) 0.052(7) 0.045(6) -0.004(5) 0.000(5) -0.001(5) C36 0.051(6) 0.050(8) 0.056(7) 0.000(5) 0.005(5) 0.006(5) C37 0.047(6) 0.039(6) 0.058(7) -0.004(5) 0.003(5) -0.004(4) C38 0.057(7) 0.044(7) 0.071(8) -0.005(6) -0.005(6) 0.006(5) C39 0.067(9) 0.063(10) 0.087(11) -0.030(8) -0.001(8) 0.010(7) C40 0.075(10) 0.070(10) 0.073(9) -0.026(8) -0.001(7) -0.003(8) C41 0.087(10) 0.044(7) 0.059(7) -0.008(6) -0.010(7) -0.007(7) C42 0.047(6) 0.053(8) 0.064(7) -0.001(6) -0.003(5) -0.003(5) C43 0.060(7) 0.034(6) 0.049(6) 0.001(4) 0.005(5) -0.003(5) O44 0.044(4) 0.040(4) 0.052(4) 0.000(3) 0.004(3) -0.001(3) C45 0.049(6) 0.036(6) 0.034(4) 0.002(4) 0.001(4) 0.000(5) O46 0.036(4) 0.047(5) 0.048(4) 0.003(3) 0.002(3) -0.004(3) O47 0.041(4) 0.043(5) 0.051(4) 0.001(3) 0.003(3) 0.001(3) C48 0.039(6) 0.042(7) 0.077(8) -0.007(6) -0.004(5) 0.005(4) C49 0.061(8) 0.044(7) 0.084(10) -0.013(6) 0.006(7) -0.002(6) C50 0.080(11) 0.050(9) 0.115(15) -0.029(9) 0.005(10) -0.010(7) C51 0.094(13) 0.084(14) 0.089(13) -0.030(10) 0.011(10) -0.002(10) C52 0.122(16) 0.086(13) 0.058(9) -0.017(8) 0.019(9) 0.009(11) C53 0.088(10) 0.050(8) 0.065(8) -0.008(6) 0.013(7) 0.010(7) C54 0.041(6) 0.046(7) 0.053(6) 0.000(5) -0.004(5) -0.001(5) O55 0.048(4) 0.039(5) 0.062(5) -0.002(4) -0.002(4) -0.002(3) C56 0.051(6) 0.048(7) 0.031(4) -0.001(4) 0.004(4) 0.006(5) O57 0.051(5) 0.030(4) 0.051(4) 0.000(3) 0.003(3) -0.001(3) O58 0.044(4) 0.042(5) 0.049(4) -0.004(3) 0.002(3) -0.001(3) N201 0.058(6) 0.060(7) 0.057(6) 0.009(5) 0.001(5) 0.007(5) O202 0.090(8) 0.109(10) 0.054(6) 0.019(6) 0.006(5) 0.018(7) O203 0.054(5) 0.093(8) 0.068(6) 0.004(6) -0.005(5) -0.007(5) O204 0.057(5) 0.071(7) 0.055(5) 0.016(4) 0.000(4) 0.002(4) N301 0.066(9) 0.063(9) 0.059(8) 0.014(6) 0.007(6) 0.006(7) O302 0.055(7) 0.073(9) 0.067(8) 0.010(7) -0.002(6) 0.001(6) O303 0.048(10) 0.083(12) 0.101(10) -0.003(8) 0.007(7) -0.007(8) O304 0.096(9) 0.069(11) 0.071(8) 0.005(8) -0.004(7) 0.004(9) N501 0.066(9) 0.063(9) 0.059(8) 0.014(6) 0.007(6) 0.006(7) O502 0.055(7) 0.073(9) 0.067(8) 0.010(7) -0.002(6) 0.001(6) O503 0.048(10) 0.083(12) 0.101(10) -0.003(8) 0.007(7) -0.007(8) O504 0.096(9) 0.069(11) 0.071(8) 0.005(8) -0.004(7) 0.004(9) O505 0.09(4) 0.02(2) 0.07(4) 0.01(2) -0.01(3) -0.01(2) C101 0.16(2) 0.057(11) 0.095(15) 0.001(9) -0.012(15) 0.014(13) C102 0.14(2) 0.059(12) 0.111(17) -0.004(10) 0.001(14) -0.008(12) C103 0.119(17) 0.071(13) 0.107(15) 0.009(11) 0.000(13) -0.003(12) C104 0.098(14) 0.068(12) 0.122(17) 0.016(11) -0.015(12) 0.005(10) C105 0.14(2) 0.090(17) 0.115(18) -0.010(13) 0.019(16) 0.021(15) C106 0.17(3) 0.078(15) 0.082(13) -0.006(10) 0.010(15) 0.011(15) C107 0.26(4) 0.062(14) 0.110(19) -0.001(12) -0.04(2) 0.015(19) C108 0.100(14) 0.071(13) 0.117(17) 0.012(11) -0.011(12) -0.005(10) C109 0.28(5) 0.049(12) 0.115(19) -0.007(11) 0.03(2) -0.038(19) C110 0.15(3) 0.10(2) 0.22(4) 0.05(2) -0.03(3) -0.04(2) O111 0.128(13) 0.072(10) 0.168(18) 0.005(10) -0.035(13) 0.001(9) C401 0.12(4) 0.16(5) 0.30(10) 0.11(7) -0.06(6) -0.07(4) C402 0.09(3) 0.22(5) 0.22(6) 0.11(5) -0.01(4) 0.00(3) C403 0.18(6) 0.20(7) 0.24(8) -0.04(6) 0.06(5) -0.04(5) O404 0.12(2) 0.12(4) 0.11(2) 0.02(2) -0.022(17) 0.01(2) C601 0.12(4) 0.16(5) 0.30(10) 0.11(7) -0.06(6) -0.07(4) C602 0.09(3) 0.22(5) 0.22(6) 0.11(5) -0.01(4) 0.00(3) C603 0.18(6) 0.20(7) 0.24(8) -0.04(6) 0.06(5) -0.04(5) O604 0.12(2) 0.12(4) 0.11(2) 0.02(2) -0.022(17) 0.01(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Co Co -2.3653 3.6143 '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 O46 Co1 O57 174.8(4) . 1_655 ? O46 Co1 N1 94.6(4) . . ? O57 Co1 N1 90.0(4) 1_655 . ? O46 Co1 N13 89.1(4) . . ? O57 Co1 N13 93.6(4) 1_655 . ? N1 Co1 N13 88.3(4) . . ? O46 Co1 N22 88.3(4) . 1_556 ? O57 Co1 N22 89.4(4) 1_655 1_556 ? N1 Co1 N22 86.4(4) . 1_556 ? N13 Co1 N22 173.9(4) . 1_556 ? O46 Co1 O55 100.3(3) . 1_655 ? O57 Co1 O55 75.3(3) 1_655 1_655 ? N1 Co1 O55 164.8(4) . 1_655 ? N13 Co1 O55 88.9(4) . 1_655 ? N22 Co1 O55 97.0(4) 1_556 1_655 ? C6 N1 C2 118.2(11) . . ? C6 N1 Co1 121.8(8) . . ? C2 N1 Co1 119.6(8) . . ? O58 Co2 O47 174.6(4) . . ? O58 Co2 N25 88.6(4) . . ? O47 Co2 N25 92.1(4) . . ? O58 Co2 N10 92.8(4) . 2_756 ? O47 Co2 N10 92.6(4) . 2_756 ? N25 Co2 N10 85.4(4) . 2_756 ? O58 Co2 N34 89.7(4) . 1_554 ? O47 Co2 N34 90.1(4) . 1_554 ? N25 Co2 N34 174.3(5) . 1_554 ? N10 Co2 N34 89.2(4) 2_756 1_554 ? O58 Co2 O44 98.7(3) . . ? O47 Co2 O44 75.9(3) . . ? N25 Co2 O44 91.5(4) . . ? N10 Co2 O44 168.0(4) 2_756 . ? N34 Co2 O44 94.2(4) 1_554 . ? N1 C2 C3 122.4(12) . . ? C2 C3 C4 119.6(12) . . ? C5 C4 C3 117.9(12) . . ? C5 C4 C7 121.1(11) . . ? C3 C4 C7 120.9(11) . . ? C4 C5 C6 118.4(12) . . ? N1 C6 C5 123.4(11) . . ? C12 C7 C8 117.7(12) . . ? C12 C7 C4 123.0(11) . . ? C8 C7 C4 119.3(11) . . ? C7 C8 C9 119.3(13) . . ? N10 C9 C8 122.8(13) . . ? C9 N10 C11 117.7(12) . . ? C9 N10 Co2 119.3(9) . 2_746 ? C11 N10 Co2 122.7(9) . 2_746 ? N10 C11 C12 122.3(13) . . ? C7 C12 C11 120.2(12) . . ? C18 N13 C14 115.7(10) . . ? C18 N13 Co1 122.4(8) . . ? C14 N13 Co1 121.8(8) . . ? N13 C14 C15 124.3(12) . . ? C14 C15 C16 119.2(12) . . ? C17 C16 C15 117.2(12) . . ? C17 C16 C19 122.3(12) . . ? C15 C16 C19 120.5(12) . . ? N13 C18 C17 124.4(12) . . ? C16 C17 C18 119.1(12) . . ? C24 C19 C20 116.8(11) . . ? C24 C19 C16 119.9(12) . . ? C20 C19 C16 123.3(12) . . ? C21 C20 C19 120.5(12) . . ? N22 C21 C20 123.3(12) . . ? C23 N22 C21 117.1(11) . . ? C23 N22 Co1 124.6(9) . 1_554 ? C21 N22 Co1 118.0(8) . 1_554 ? N22 C23 C24 123.0(12) . . ? C19 C24 C23 119.3(12) . . ? C26 N25 C30 115.8(11) . . ? C26 N25 Co2 122.4(9) . . ? C30 N25 Co2 121.7(8) . . ? N25 C26 C27 124.1(13) . . ? C28 C27 C26 118.7(13) . . ? C27 C28 C29 117.4(12) . . ? C27 C28 C31 120.6(12) . . ? C29 C28 C31 122.0(12) . . ? C30 C29 C28 119.4(11) . . ? N25 C30 C29 124.4(11) . . ? C36 C31 C32 116.1(11) . . ? C36 C31 C28 121.6(12) . . ? C32 C31 C28 122.3(12) . . ? C33 C32 C31 120.1(12) . . ? N34 C33 C32 123.4(12) . . ? C33 N34 C35 116.3(10) . . ? C33 N34 Co2 121.9(8) . 1_556 ? C35 N34 Co2 121.9(8) . 1_556 ? N34 C35 C36 123.5(11) . . ? C35 C36 C31 120.5(12) . . ? C42 C37 C38 118.2(13) . . ? C42 C37 C43 121.7(12) . . ? C38 C37 C43 120.1(12) . . ? C39 C38 C37 121.1(14) . . ? C40 C39 C38 119.8(15) . . ? C41 C40 C39 120.8(14) . . ? C40 C41 C42 119.5(15) . . ? C37 C42 C41 120.5(14) . . ? O44 C43 C37 111.7(10) . . ? O44 C43 C45 109.2(10) . . ? C37 C43 C45 110.7(10) . . ? C43 O44 Co2 115.1(7) . . ? O46 C45 O47 125.3(11) . . ? O46 C45 C43 117.2(11) . . ? O47 C45 C43 117.4(10) . . ? C45 O46 Co1 133.0(8) . . ? C45 O47 Co2 120.3(7) . . ? C53 C48 C49 118.8(14) . . ? C53 C48 C54 121.8(12) . . ? C49 C48 C54 119.4(13) . . ? C48 C49 C50 120.2(16) . . ? C51 C50 C49 119.1(17) . . ? C50 C51 C52 121.6(17) . . ? C51 C52 C53 117.0(18) . . ? C48 C53 C52 123.2(17) . . ? O55 C54 C56 110.2(10) . . ? O55 C54 C48 112.1(10) . . ? C56 C54 C48 108.5(9) . . ? C54 O55 Co1 115.1(7) . 1_455 ? O58 C56 O57 126.2(11) . . ? O58 C56 C54 116.4(11) . . ? O57 C56 C54 117.4(11) . . ? C56 O57 Co1 121.5(8) . 1_455 ? C56 O58 Co2 133.7(8) . . ? O203 N201 O202 122.0(12) . . ? O203 N201 O204 119.8(11) . . ? O202 N201 O204 118.2(11) . . ? O303 N301 O304 121.7(17) . . ? O303 N301 O302 121.1(16) . . ? O304 N301 O302 116.7(16) . . ? O503 N501 O504 124(5) . . ? O503 N501 O502 123(5) . . ? O504 N501 O502 113(4) . . ? C102 C101 C106 122(3) . . ? C102 C101 C107 117(3) . . ? C106 C101 C107 121(3) . . ? C101 C102 C103 123(3) . . ? C104 C103 C102 111(2) . . ? O111 C104 C105 109(2) . . ? O111 C104 C103 107(2) . . ? C105 C104 C103 110(2) . . ? O111 C104 C108 107.0(19) . . ? C105 C104 C108 112(2) . . ? C103 C104 C108 112(2) . . ? C104 C105 C106 111(2) . . ? C101 C106 C105 114(2) . . ? C109 C108 C110 112(3) . . ? C109 C108 C104 109(2) . . ? C110 C108 C104 114(2) . . ? O404 C402 C403 109(5) . . ? O404 C402 C401 108(4) . . ? C403 C402 C401 113(5) . . ? O604 C602 C603 101(5) . . ? O604 C602 C601 113(6) . . ? C603 C602 C601 114(6) . . ? 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 Co1 O46 2.041(8) . ? Co1 O57 2.081(8) 1_655 ? Co1 N1 2.142(10) . ? Co1 N13 2.172(10) . ? Co1 N22 2.181(10) 1_556 ? Co1 O55 2.189(9) 1_655 ? N1 C6 1.310(17) . ? N1 C2 1.349(17) . ? Co2 O58 2.040(9) . ? Co2 O47 2.073(8) . ? Co2 N25 2.151(10) . ? Co2 N10 2.154(11) 2_756 ? Co2 N34 2.171(10) 1_554 ? Co2 O44 2.178(9) . ? C2 C3 1.364(19) . ? C3 C4 1.39(2) . ? C4 C5 1.383(19) . ? C4 C7 1.493(15) . ? C5 C6 1.395(18) . ? C7 C12 1.36(2) . ? C7 C8 1.378(18) . ? C8 C9 1.40(2) . ? C9 N10 1.310(19) . ? N10 C11 1.346(18) . ? C11 C12 1.39(2) . ? N13 C18 1.332(17) . ? N13 C14 1.353(16) . ? C14 C15 1.368(17) . ? C15 C16 1.403(18) . ? C16 C17 1.387(19) . ? C16 C19 1.479(19) . ? C18 C17 1.390(18) . ? C19 C24 1.380(19) . ? C19 C20 1.384(19) . ? C20 C21 1.374(18) . ? C21 N22 1.337(17) . ? N22 C23 1.325(17) . ? C23 C24 1.412(19) . ? N25 C26 1.343(18) . ? N25 C30 1.345(16) . ? C26 C27 1.40(2) . ? C27 C28 1.39(2) . ? C28 C29 1.405(18) . ? C28 C31 1.474(18) . ? C29 C30 1.368(18) . ? C31 C36 1.396(19) . ? C31 C32 1.407(19) . ? C32 C33 1.373(19) . ? C33 N34 1.350(17) . ? N34 C35 1.360(17) . ? C35 C36 1.363(18) . ? C37 C42 1.377(19) . ? C37 C38 1.394(19) . ? C37 C43 1.500(17) . ? C38 C39 1.38(2) . ? C39 C40 1.38(3) . ? C40 C41 1.35(2) . ? C41 C42 1.43(2) . ? C43 O44 1.423(16) . ? C43 C45 1.557(17) . ? C45 O46 1.233(14) . ? C45 O47 1.264(16) . ? C48 C53 1.36(2) . ? C48 C49 1.37(2) . ? C48 C54 1.536(18) . ? C49 C50 1.42(2) . ? C50 C51 1.37(3) . ? C51 C52 1.40(3) . ? C52 C53 1.40(2) . ? C54 O55 1.422(15) . ? C54 C56 1.528(17) . ? C56 O58 1.250(15) . ? C56 O57 1.255(17) . ? N201 O203 1.197(15) . ? N201 O202 1.248(15) . ? N201 O204 1.270(14) . ? N301 O303 1.168(19) . ? N301 O304 1.27(2) . ? N301 O302 1.27(2) . ? N501 O503 1.18(3) . ? N501 O504 1.27(3) . ? N501 O502 1.27(3) . ? C101 C102 1.34(4) . ? C101 C106 1.48(4) . ? C101 C107 1.53(4) . ? C102 C103 1.55(4) . ? C103 C104 1.52(3) . ? C104 O111 1.49(3) . ? C104 C105 1.50(4) . ? C104 C108 1.53(3) . ? C105 C106 1.57(4) . ? C108 C109 1.48(4) . ? C108 C110 1.52(4) . ? C401 C402 1.54(4) . ? C402 O404 1.40(4) . ? C402 C403 1.53(4) . ? C601 C602 1.54(4) . ? C602 O604 1.41(4) . ? C602 C603 1.54(4) . ?