#------------------------------------------------------------------------------ #$Date: 2024-04-09 04:14:26 +0300 (Tue, 09 Apr 2024) $ #$Revision: 291142 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/83/7248393.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_7248393 loop_ _publ_author_name 'Bhunia, Sudip' 'Das, Mainak' 'Banerjee, Snehasis' 'Drew, Michael. G. B.' 'Ray, Partha Pratim' 'Chattopadhyay, Shouvik' _publ_section_title ; Application of a distinctly bent, trinuclear, end-to-end azide bridged, mixed valence cobalt(iii/ii/iii) complex in the fabrication of photosensitive Schottky barrier diodes ; _journal_issue 16 _journal_name_full 'RSC Advances' _journal_page_first 11185 _journal_page_last 11196 _journal_paper_doi 10.1039/D4RA01406E _journal_volume 14 _journal_year 2024 _chemical_absolute_configuration unk _chemical_formula_moiety 'C38 H48 Co3 N16 O4, 1[CH4O]' _chemical_formula_sum 'C39 H52 Co3 N16 O5' _chemical_formula_weight 1001.752 _space_group_crystal_system orthorhombic _space_group_IT_number 29 _space_group_name_Hall 'P 2c -2ac' _space_group_name_H-M_alt 'P c a 21' _symmetry_Int_Tables_number 29 _audit_creation_date 2024-02-26 _audit_creation_method ; Olex2 1.5-dev (compiled 2024.01.31 svn.r2f8d729c for OlexSys, GUI svn.r6697) ; _audit_update_record ; 2024-03-11 deposited with the CCDC. 2024-03-18 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 21.066(8) _cell_length_b 12.519(7) _cell_length_c 17.232(8) _cell_measurement_reflns_used 900 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 25.076 _cell_measurement_theta_min 1.627 _cell_volume 4545(4) _computing_cell_refinement 'SAINT (Bruker, 2000)' _computing_data_collection 'SMART (Bruker, 2000)' _computing_data_reduction SAINT _computing_molecular_graphics 'Olex2 1.5-dev (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5-dev (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine 1.5-dev (Bourhis et al., 2015)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.9941 _diffrn_measured_fraction_theta_max 0.9941 _diffrn_measurement_device_type 'BRUKER D8 QUEST area detector' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.1426 _diffrn_reflns_av_unetI/netI 0.1324 _diffrn_reflns_Laue_measured_fraction_full 0.9941 _diffrn_reflns_Laue_measured_fraction_max 0.9941 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 32229 _diffrn_reflns_point_group_measured_fraction_full 0.9756 _diffrn_reflns_point_group_measured_fraction_max 0.9756 _diffrn_reflns_theta_full 23.9997 _diffrn_reflns_theta_max 24.00 _diffrn_reflns_theta_min 1.63 _exptl_absorpt_coefficient_mu 1.143 _exptl_absorpt_correction_T_max 0.710 _exptl_absorpt_correction_T_min 0.584 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details SADABS _exptl_crystal_colour Black _exptl_crystal_density_diffrn 1.464 _exptl_crystal_description Block _exptl_crystal_F_000 2081.668 _exptl_crystal_size_max 0.6 _exptl_crystal_size_mid 0.4 _exptl_crystal_size_min 0.3 _refine_diff_density_max 0.6181 _refine_diff_density_min -0.6953 _refine_diff_density_rms 0.1379 _refine_ls_abs_structure_details 'Hooft, R.W.W., Straver, L.H., Spek, A.L. (2010). J. Appl. Cryst., 43, 665-668.' _refine_ls_abs_structure_Flack 0.012(18) _refine_ls_d_res_high 0.8737 _refine_ls_d_res_low 12.5189 _refine_ls_goodness_of_fit_ref 1.0454 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_constraints 80 _refine_ls_number_parameters 550 _refine_ls_number_reflns 6971 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.0454 _refine_ls_R_factor_all 0.0976 _refine_ls_R_factor_gt 0.0604 _refine_ls_shift/su_max 0.0008 _refine_ls_shift/su_mean 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0249P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0913 _refine_ls_wR_factor_ref 0.1059 _reflns_Friedel_coverage 0.956 _reflns_limit_h_max 24 _reflns_limit_h_min -24 _reflns_limit_k_max 14 _reflns_limit_k_min -14 _reflns_limit_l_max 19 _reflns_limit_l_min -18 _reflns_number_gt 5047 _reflns_number_total 6971 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL SC_SB_83A_0m_a.res in Pca2(1) CELL 0.71073 21.0663 12.5189 17.2319 90 90 90 ZERR 4 0.0078 0.0065 0.0077 0 0 0 LATT -1 SYMM -X,-Y,0.5+Z SYMM 0.5+X,-Y,+Z SYMM 0.5-X,+Y,0.5+Z SFAC C H Co N O UNIT 156 208 12 64 20 L.S. 100 PLAN 8 BOND $H LIST 6 fmap 2 acta ABIN MERG 2 OMIT -3 48 OMIT 0 0 4 OMIT 0 2 -4 OMIT 0 2 -2 OMIT 0 2 2 OMIT 0 2 4 OMIT 1 1 -4 OMIT 1 1 4 OMIT 1 1 14 OMIT 1 2 -2 OMIT 1 2 -1 OMIT 1 2 2 OMIT 1 10 -13 OMIT 2 0 -2 OMIT 2 0 0 OMIT 2 1 -3 OMIT 2 1 3 OMIT 2 2 -1 OMIT 2 2 0 OMIT 2 2 1 OMIT 2 6 18 OMIT 3 1 -1 OMIT 3 1 0 OMIT 3 1 1 OMIT 3 3 15 OMIT 3 9 0 OMIT 4 0 -1 OMIT 4 0 1 OMIT 4 1 -5 OMIT 4 2 -3 OMIT 4 12 -1 OMIT 5 1 -3 OMIT 5 1 3 OMIT 5 1 17 OMIT 6 3 -16 OMIT 6 5 -16 OMIT 7 1 -4 OMIT 7 4 8 OMIT 8 2 18 OMIT 9 2 -16 OMIT 9 5 -14 OMIT 9 7 15 OMIT 9 10 -10 OMIT 11 3 17 OMIT 15 1 11 OMIT 18 1 -12 OMIT 19 8 -7 OMIT 20 1 -11 OMIT 21 2 -10 OMIT 21 7 -4 OMIT 22 1 -9 WGHT 0.024876 0 FVAR 0.214469 REM REM REM Co3 3 0.76918 0.71122 0.43880 11.00000 0.01950 0.03895 0.02552 = 0.00112 0.00059 -0.00147 Co1 3 0.63290 0.65880 0.38695 11.00000 0.02234 0.04106 0.02500 = -0.00259 -0.00067 -0.00191 Co2 3 0.55026 0.68692 0.53375 11.00000 0.02001 0.03777 0.02964 = -0.00015 0.00093 -0.00093 O2 5 0.55695 0.74892 0.42990 11.00000 0.02417 0.03905 0.04095 = 0.00379 -0.00099 0.00815 O4 5 0.69414 0.78098 0.39943 11.00000 0.02360 0.04049 0.02733 = 0.00250 -0.00050 0.00743 O1 5 0.60329 0.58463 0.48397 11.00000 0.02486 0.03029 0.03475 = 0.00136 -0.00248 0.00066 O3 5 0.72349 0.59322 0.39705 11.00000 0.02048 0.04136 0.04371 = -0.00145 0.00643 0.00136 N2 4 0.49671 0.80543 0.57043 11.00000 0.03327 0.05065 0.02347 = -0.01004 -0.00054 -0.00824 AFIX 13 H2 2 0.45597 0.78265 0.56464 11.00000 -1.20000 AFIX 0 N4 4 0.80765 0.84651 0.47351 11.00000 0.01856 0.05281 0.01658 = 0.00892 -0.00364 0.00052 AFIX 13 H4 2 0.83518 0.86551 0.43522 11.00000 -1.20000 AFIX 0 C19 1 0.51030 0.80588 0.39788 11.00000 0.03270 0.02531 0.01804 = -0.00125 0.00925 0.00198 N1 4 0.55030 0.60816 0.63349 11.00000 0.00823 0.05895 0.02129 = 0.00858 -0.00248 -0.00283 AFIX 13 H1 2 0.51457 0.56731 0.63290 11.00000 -1.20000 AFIX 0 N14 4 0.81781 0.73065 0.34578 11.00000 0.03054 0.06942 0.01895 = 0.01048 0.00136 -0.00340 N6 4 0.67732 0.73277 0.55239 11.00000 0.02605 0.04807 0.00772 = -0.00062 0.00222 -0.01009 N12 4 0.47339 0.55492 0.45275 11.00000 0.01540 0.05058 0.06265 = 0.00690 0.00113 -0.00619 N5 4 0.62666 0.77004 0.56774 11.00000 0.02824 0.04881 0.02741 = -0.00180 0.00820 -0.00493 N8 4 0.61015 0.60747 0.28225 11.00000 0.03553 0.09049 0.04593 = -0.01108 -0.01696 0.01137 N3 4 0.83810 0.61797 0.47760 11.00000 0.01612 0.05394 0.03637 = -0.00788 0.00913 0.00193 AFIX 13 H3 2 0.86806 0.61710 0.43957 11.00000 -1.20000 AFIX 0 N7 4 0.72702 0.69552 0.54115 11.00000 0.02567 0.04751 0.03143 = 0.00574 -0.00187 -0.00546 N15 4 0.79021 0.72979 0.28408 11.00000 0.04616 0.06775 0.03156 = 0.00288 0.01847 0.00221 C6 1 0.60782 0.45039 0.57913 11.00000 0.02193 0.04868 0.04516 = -0.00101 -0.00229 0.00760 N11 4 0.47299 0.61491 0.50734 11.00000 0.02862 0.05898 0.02630 = -0.00712 0.00293 -0.00370 N9 4 0.56700 0.58006 0.24680 11.00000 0.05296 0.04712 0.05599 = 0.00143 -0.01567 -0.00339 C7 1 0.60442 0.53125 0.63964 11.00000 0.02614 0.06756 0.02776 = 0.02060 -0.00899 -0.01095 AFIX 23 H7a 2 0.60165 0.49539 0.68943 11.00000 -1.20000 H7b 2 0.64372 0.57161 0.63919 11.00000 -1.20000 AFIX 0 C25 1 0.80162 0.45828 0.40885 11.00000 0.03981 0.02963 0.05192 = 0.00724 -0.00837 0.00231 C1 1 0.60794 0.47862 0.50035 11.00000 0.01322 0.03175 0.04126 = 0.00004 -0.01152 0.00489 C20 1 0.75221 0.50809 0.36594 11.00000 0.02726 0.03584 0.06144 = 0.00425 0.01510 -0.00357 C13 1 0.50261 0.90201 0.52031 11.00000 0.07086 0.04007 0.02912 = -0.01080 -0.00648 0.00190 AFIX 23 H13a 2 0.47855 0.96004 0.54325 11.00000 -1.20000 H13b 2 0.54679 0.92367 0.51825 11.00000 -1.20000 AFIX 0 C38 1 0.69377 0.87888 0.36938 11.00000 0.02731 0.05221 0.04880 = 0.00647 -0.00708 0.00499 C14 1 0.47949 0.88296 0.44063 11.00000 0.04311 0.04064 0.02767 = -0.00208 -0.00328 0.01069 C26 1 0.81600 0.50589 0.48553 11.00000 0.02163 0.03640 0.06185 = 0.00340 -0.01027 0.00591 AFIX 23 H26a 2 0.84858 0.46392 0.51109 11.00000 -1.20000 H26b 2 0.77821 0.50409 0.51766 11.00000 -1.20000 AFIX 0 C31 1 0.84584 0.84604 0.54618 11.00000 0.02894 0.04161 0.04387 = -0.00732 -0.01117 -0.00323 AFIX 23 H31a 2 0.81763 0.83259 0.58959 11.00000 -1.20000 H31b 2 0.86406 0.91650 0.55341 11.00000 -1.20000 AFIX 0 N13 4 0.46906 0.49735 0.40071 11.00000 0.04882 0.08253 0.08400 = -0.02394 -0.01999 -0.00265 C8 1 0.54753 0.67029 0.70754 11.00000 0.03286 0.06271 0.03552 = -0.01376 -0.00742 -0.01399 AFIX 23 H8a 2 0.58735 0.70813 0.71417 11.00000 -1.20000 H8b 2 0.54329 0.62065 0.75045 11.00000 -1.20000 AFIX 0 C27 1 0.87213 0.65222 0.55033 11.00000 0.02281 0.07588 0.01550 = 0.00091 -0.00346 0.00878 AFIX 23 H27a 2 0.84307 0.64613 0.59377 11.00000 -1.20000 H27b 2 0.90708 0.60343 0.55962 11.00000 -1.20000 AFIX 0 C24 1 0.83115 0.36851 0.37909 11.00000 0.03378 0.03194 0.08438 = -0.00664 -0.01789 0.00194 AFIX 43 H24 2 0.86319 0.33551 0.40744 11.00000 -1.20000 AFIX 0 C17 1 0.44607 0.85485 0.28696 11.00000 0.05439 0.05821 0.03576 = 0.00009 -0.00688 0.00783 AFIX 43 H17 2 0.43532 0.84496 0.23511 11.00000 -1.20000 AFIX 0 C12 1 0.50253 0.83859 0.65357 11.00000 0.03882 0.06637 0.03528 = -0.01788 -0.00810 0.01585 AFIX 23 H12a 2 0.54444 0.86878 0.66147 11.00000 -1.20000 H12b 2 0.47180 0.89460 0.66363 11.00000 -1.20000 AFIX 0 C37 1 0.65993 0.89942 0.30270 11.00000 0.05675 0.05002 0.05306 = -0.00434 -0.02050 -0.00764 AFIX 43 H37 2 0.63765 0.84504 0.27800 11.00000 -1.20000 AFIX 0 C29 1 0.93522 0.78096 0.62257 11.00000 0.05959 0.06868 0.03885 = 0.00003 -0.01669 -0.00353 AFIX 33 H29a 2 0.96911 0.72979 0.62475 11.00000 -1.50000 H29b 2 0.95254 0.85186 0.62394 11.00000 -1.50000 H29c 2 0.90754 0.77087 0.66621 11.00000 -1.50000 AFIX 0 C21 1 0.73782 0.46628 0.29287 11.00000 0.04088 0.04742 0.04184 = -0.02359 -0.00478 0.01446 AFIX 43 H21 2 0.70766 0.50069 0.26239 11.00000 -1.20000 AFIX 0 C16 1 0.41468 0.92919 0.33020 11.00000 0.06776 0.05656 0.05309 = 0.00166 -0.01137 0.02224 AFIX 43 H16 2 0.38292 0.97068 0.30792 11.00000 -1.20000 AFIX 0 C28 1 0.89807 0.76574 0.54809 11.00000 0.03189 0.04439 0.02756 = -0.00798 0.00587 -0.00462 C15 1 0.43033 0.94222 0.40673 11.00000 0.06292 0.06969 0.07099 = 0.00135 -0.00525 0.02831 AFIX 43 H15 2 0.40797 0.99120 0.43671 11.00000 -1.20000 AFIX 0 C32 1 0.76006 0.93698 0.47839 11.00000 0.03858 0.04466 0.04457 = -0.01612 -0.00015 0.00331 AFIX 23 H32a 2 0.78163 1.00090 0.49620 11.00000 -1.20000 H32b 2 0.72796 0.91888 0.51653 11.00000 -1.20000 AFIX 0 C2 1 0.61512 0.40367 0.44400 11.00000 0.03953 0.03179 0.06033 = -0.01702 -0.00661 0.00528 AFIX 43 H2a 2 0.61655 0.42424 0.39217 11.00000 -1.20000 AFIX 0 N10 4 0.52555 0.55540 0.20767 11.00000 0.09582 0.07238 0.08755 = -0.00078 -0.05274 -0.01854 C33 1 0.72869 0.96005 0.40375 11.00000 0.03203 0.04922 0.06661 = -0.01096 -0.02375 0.00812 C30 1 0.94401 0.77542 0.48058 11.00000 0.02564 0.07026 0.05880 = 0.00034 -0.00672 -0.00105 AFIX 33 H30a 2 0.97634 0.72175 0.48516 11.00000 -1.50000 H30b 2 0.92146 0.76571 0.43268 11.00000 -1.50000 H30c 2 0.96327 0.84491 0.48119 11.00000 -1.50000 AFIX 0 C9 1 0.49275 0.75147 0.71143 11.00000 0.04214 0.06036 0.03389 = -0.01755 0.00403 0.00470 C5 1 0.61042 0.33983 0.59659 11.00000 0.04512 0.04278 0.07688 = 0.02709 0.00119 0.00784 AFIX 43 H5 2 0.60743 0.31749 0.64794 11.00000 -1.20000 AFIX 0 C10 1 0.49589 0.80120 0.79104 11.00000 0.08042 0.10324 0.02642 = -0.00449 0.00335 0.00584 AFIX 33 H10a 2 0.48974 0.74696 0.82970 11.00000 -1.50000 H10b 2 0.53667 0.83397 0.79824 11.00000 -1.50000 H10c 2 0.46327 0.85433 0.79586 11.00000 -1.50000 AFIX 0 C18 1 0.49414 0.79370 0.32006 11.00000 0.03834 0.05872 0.04599 = 0.00795 0.00784 0.01078 AFIX 43 H18 2 0.51575 0.74408 0.28981 11.00000 -1.20000 AFIX 0 C11 1 0.42871 0.69716 0.70262 11.00000 0.05826 0.05705 0.04940 = -0.00355 0.01563 0.00608 AFIX 33 H11a 2 0.42462 0.64193 0.74094 11.00000 -1.50000 H11b 2 0.39550 0.74879 0.70961 11.00000 -1.50000 H11c 2 0.42550 0.66642 0.65173 11.00000 -1.50000 AFIX 0 C3 1 0.62029 0.29764 0.46338 11.00000 0.05942 0.04877 0.08226 = -0.00529 -0.00597 0.01024 AFIX 43 H3a 2 0.62593 0.24687 0.42459 11.00000 -1.20000 AFIX 0 C36 1 0.65949 1.00186 0.27295 11.00000 0.11087 0.05157 0.07662 = 0.02649 -0.04950 0.00040 AFIX 43 H36 2 0.63533 1.01674 0.22909 11.00000 -1.20000 AFIX 0 N16 4 0.76754 0.72669 0.22508 11.00000 0.07517 0.19431 0.04325 = 0.00690 -0.00410 0.03202 C22 1 0.76655 0.37661 0.26476 11.00000 0.06470 0.06517 0.07474 = -0.03127 0.00670 -0.01471 AFIX 43 H22 2 0.75459 0.34872 0.21692 11.00000 -1.20000 AFIX 0 C35 1 0.69425 1.08245 0.30715 11.00000 0.09883 0.04883 0.13420 = 0.02458 -0.05742 -0.01105 AFIX 43 H35 2 0.69374 1.15083 0.28607 11.00000 -1.20000 AFIX 0 C23 1 0.81381 0.32725 0.30807 11.00000 0.05106 0.05127 0.11988 = -0.02487 0.00916 0.00284 AFIX 43 H23 2 0.83375 0.26632 0.28911 11.00000 -1.20000 AFIX 0 C4 1 0.61720 0.26605 0.53941 11.00000 0.07389 0.03750 0.09668 = 0.00176 -0.00638 0.01493 AFIX 43 H4a 2 0.61976 0.19390 0.55189 11.00000 -1.20000 AFIX 0 C34 1 0.72934 1.06181 0.37185 11.00000 0.10032 0.03532 0.10497 = -0.00211 -0.03254 -0.00426 AFIX 43 H34 2 0.75356 1.11555 0.39448 11.00000 -1.20000 AFIX 0 HKLF 4 END Q6 1 0.763889 1.177778 0.383333 11 0.05 0.52 Q7 1 0.569444 0.533333 0.3 11 0.05 0.52 Q2 1 0.736111 0.777778 0.416667 11 0.05 0.61 Q1 1 0.513889 0.955556 0.566667 11 0.05 0.62 Q3 1 0.444444 1.044444 0.45 11 0.05 0.6 Q4 1 0.555556 0.688889 0.6 11 0.05 0.59 Q5 1 0.763889 0.533333 0.433333 11 0.05 0.59 REM The information below was added by Olex2. REM REM R1 = 0.0604 for 5047 Fo > 4sig(Fo) and 0.0976 for all 6971 data REM 550 parameters refined using 1 restraints REM Highest difference peak 0.6181, deepest hole -0.6953 REM Mean Shift 0.0000, Max Shift 0.0008. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0976 REM R1_gt = 0.0604 REM wR_ref = 0.1059 REM GOOF = 1.0454 REM Shift_max = 0.0008 REM Shift_mean = 0.0000 REM Reflections_all = 6971 REM Reflections_gt = 5047 REM Parameters = 550 REM Hole = -0.6953 REM Peak = 0.6181 REM Flack = 0.012(18) ; _cod_data_source_file d4ra01406e2.cif _cod_data_source_block shelx _cod_original_sg_symbol_Hall ' P 2c -2ac' _cod_database_code 7248393 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups, All N(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Ternary CH refined with riding coordinates: N2(H2), N4(H4), N1(H1), N3(H3) 2.b Secondary CH2 refined with riding coordinates: C7(H7a,H7b), C13(H13a,H13b), C26(H26a,H26b), C31(H31a,H31b), C8(H8a,H8b), C27(H27a,H27b), C12(H12a,H12b), C32(H32a,H32b) 2.c Me refined with riding coordinates: C29(H29a,H29b,H29c), C30(H30a,H30b,H30c), C10(H10a,H10b,H10c), C11(H11a,H11b, H11c) 2.d Aromatic/amide H refined with riding coordinates: C24(H24), C17(H17), C37(H37), C21(H21), C16(H16), C15(H15), C2(H2a), C5(H5), C18(H18), C3(H3a), C36(H36), C22(H22), C35(H35), C23(H23), C4(H4a), C34(H34) ; _smtbx_masks_special_details ; A solvent mask was calculated and 76 electrons were found in a volume of 616\%A^3^ in 1 void per unit cell. This is consistent with the presence of 1[CH4O] per formula unit which account for 72 electrons per unit cell. ; _smtbx_masks_void_probe_radius 1.2 _smtbx_masks_void_truncation_radius 1.2 _shelx_fab_file ; 0 0 2 21.0706 49.7499 0 0 4 -16.2213 23.8605 0 0 6 -8.4451 4.6196 0 0 8 -4.6657 0.4306 0 0 10 -0.1706 -2.1667 0 0 12 4.4507 4.8848 0 0 14 -5.0420 10.8576 0 0 16 -8.6852 2.5247 0 0 18 6.9971 -7.6580 0 0 20 8.5571 4.2782 0 1 0 22.2582 0.2281 0 1 2 -1.3980 22.5792 0 1 4 -12.7776 1.4294 0 1 6 0.5316 -2.0765 0 1 8 0.8061 0.6853 0 1 10 2.0367 1.5097 0 1 12 -0.4289 5.4006 0 1 14 -5.8904 3.8062 0 1 16 -5.7777 2.3604 0 1 18 1.6317 -5.5370 0 1 20 4.6829 0.3836 0 2 0 -19.6755 0.0253 0 2 2 -21.5277 -7.8755 0 2 4 -6.7459 -19.9003 0 2 6 7.1408 -6.9934 0 2 8 2.5549 -1.2395 0 2 10 5.0289 1.3135 0 2 12 -2.4008 3.6863 0 2 14 -1.9296 -4.1899 0 2 16 0.0794 5.3075 0 2 18 -5.8593 0.0705 0 2 20 -2.2051 -2.9044 0 3 0 -12.2815 0.0919 0 3 2 -10.6401 -9.6590 0 3 4 1.7569 -15.1649 0 3 6 7.9917 -0.9979 0 3 8 -1.8628 2.3842 0 3 10 0.9952 0.0002 0 3 12 -1.3806 0.4535 0 3 14 2.7230 -3.6845 0 3 16 0.0955 6.8061 0 3 18 -6.4186 -1.0241 0 3 20 -1.0058 -2.1187 0 4 0 -1.8277 0.0803 0 4 2 1.0871 -6.2946 0 4 4 7.2029 -5.6204 0 4 6 6.6952 4.9104 0 4 8 -3.9586 6.9256 0 4 10 -6.2988 2.8654 0 4 12 -6.0558 -3.2077 0 4 14 4.0556 -4.6632 0 4 16 -0.1320 5.2236 0 4 18 -4.8164 -4.4964 0 5 0 1.9261 -0.0525 0 5 2 4.5088 -0.7398 0 5 4 3.7901 3.9666 0 5 6 -1.5691 5.4018 0 5 8 -3.7279 0.3541 0 5 10 -3.6021 1.6806 0 5 12 -5.7897 -2.6486 0 5 14 5.5325 -3.9255 0 5 16 4.6789 7.7643 0 5 18 -7.0076 1.4193 0 6 0 3.7297 -0.0405 0 6 2 1.1920 2.9002 0 6 4 -0.8911 1.3556 0 6 6 0.2873 0.1143 0 6 8 2.5208 -3.6104 0 6 10 2.0305 2.0948 0 6 12 -4.0875 3.3686 0 6 14 -0.0096 -0.0871 0 6 16 6.3406 4.6556 0 6 18 -5.5820 4.7296 0 7 0 3.9649 -0.0507 0 7 2 -3.1197 4.4601 0 7 4 -4.6559 -3.4677 0 7 6 3.4916 -2.1439 0 7 8 3.1718 -1.3471 0 7 10 -1.9788 0.9758 0 7 12 -5.5510 0.6525 0 7 14 -2.7651 -2.4985 0 7 16 9.7156 -2.9510 0 7 18 1.8068 4.4006 0 8 0 4.9830 -0.0064 0 8 2 -1.8619 5.6924 0 8 4 -5.3977 -0.5629 0 8 6 1.4044 0.8404 0 8 8 0.4191 0.4221 0 8 10 -3.7253 -0.9753 0 8 12 -2.0835 -1.8581 0 8 14 0.4650 0.1876 0 8 16 8.2977 -2.2659 0 9 0 3.5061 0.0247 0 9 2 -0.1675 2.8971 0 9 4 -3.3872 -1.1993 0 9 6 1.9049 -0.2541 0 9 8 1.6230 -0.1799 0 9 10 -0.6111 -0.8006 0 9 12 0.7198 1.7805 0 9 14 -1.4188 5.4291 0 9 16 0.3835 -0.5420 0 10 0 -2.6492 0.0347 0 10 2 -0.7828 -1.9019 0 10 4 -0.5266 -0.6660 0 10 6 -1.6699 1.0982 0 10 8 -4.0132 -2.4908 0 10 10 -2.5279 -5.5906 0 10 12 0.3820 -0.7240 0 10 14 -1.6480 1.8364 0 11 0 -0.3133 0.0279 0 11 2 0.2220 1.8433 0 11 4 0.8945 5.3241 0 11 6 -4.6097 5.0092 0 11 8 -4.9775 -1.5662 0 11 10 -0.7819 -4.6200 0 11 12 2.4745 1.5360 0 12 0 6.5588 0.0348 0 12 2 0.0475 6.5322 0 12 4 1.4407 4.1832 0 12 6 -1.3136 1.6050 0 12 8 2.7991 -1.5093 0 12 10 3.8841 1.0145 0 12 12 2.7371 5.9991 0 13 0 1.8265 -0.0221 0 13 2 -3.6210 -0.3616 0 13 4 5.0430 -4.3018 0 13 6 1.3152 -2.5804 0 13 8 3.2274 -4.5481 0 13 10 1.9289 -0.7745 0 14 0 0.5706 -0.1609 0 14 2 -3.9294 -1.5025 0 14 4 4.0461 -4.7551 0 14 6 0.3436 -2.5454 1 1 0 42.2860 0.4990 1 1 1 6.2604 -17.7565 1 1 2 20.4399 29.2159 1 1 3 11.0054 -4.7393 1 1 4 -5.8538 21.9755 1 1 5 4.2826 3.3828 1 1 6 -9.2537 3.6597 1 1 7 0.1855 2.1830 1 1 8 -2.9794 -0.1446 1 1 9 1.3140 0.9329 1 1 10 -2.1647 -1.0134 1 1 11 0.0583 0.9886 1 1 12 2.3038 0.1130 1 1 13 1.3068 -1.1828 1 1 14 1.3443 5.9436 1 1 15 -1.1871 3.0452 1 1 16 -3.9191 3.3890 1 1 17 -5.5803 -2.3142 1 1 18 1.7658 -4.7905 1 1 19 2.6320 -3.5158 1 1 20 7.2105 2.6482 1 2 0 18.2684 0.3226 1 2 1 4.5777 -13.5312 1 2 2 4.0239 15.9969 1 2 3 7.4810 -1.9118 1 2 4 -7.5784 8.2847 1 2 5 0.5598 4.3311 1 2 6 -4.2323 -3.5110 1 2 7 -2.1400 1.6499 1 2 8 3.2469 -0.8867 1 2 9 1.0515 -0.1919 1 2 10 0.7392 2.2384 1 2 11 0.8712 1.5249 1 2 12 -0.9709 2.4978 1 2 13 1.0007 -0.9314 1 2 14 -1.5435 1.5762 1 2 15 -2.1124 2.4139 1 2 16 -2.2389 3.7479 1 2 17 -5.5559 -3.3392 1 2 18 -3.2602 -4.4167 1 2 19 4.6417 -1.9051 1 2 20 6.7202 -1.4358 1 3 0 -6.5772 -0.0189 1 3 1 0.0911 -2.1097 1 3 2 -10.1351 0.5049 1 3 3 -0.6423 1.9482 1 3 4 -6.9959 -4.4147 1 3 5 -3.9057 2.6012 1 3 6 -1.1230 -7.9718 1 3 7 -3.8654 -0.0717 1 3 8 4.4203 -3.9514 1 3 9 -0.4818 -2.2935 1 3 10 5.0931 -1.3039 1 3 11 1.7479 0.4161 1 3 12 2.3991 3.1455 1 3 13 1.4355 -0.8382 1 3 14 -1.0652 -1.4234 1 3 15 -1.2034 0.5388 1 3 16 2.5688 5.2269 1 3 17 -3.3743 -2.7242 1 3 18 -8.1496 1.7596 1 3 19 4.6842 0.6952 1 3 20 0.7090 -4.1886 1 4 0 -8.1663 -0.0575 1 4 1 -1.7413 2.0833 1 4 2 -7.6528 -4.5388 1 4 3 -4.1667 1.7583 1 4 4 -0.4582 -7.4889 1 4 5 -3.8559 -1.0139 1 4 6 4.7473 -4.2628 1 4 7 -1.9282 -2.2985 1 4 8 1.8258 1.7639 1 4 9 0.7473 -2.6920 1 4 10 1.4068 -2.9807 1 4 11 2.1244 2.0048 1 4 12 5.0739 1.8017 1 4 13 0.4049 0.1118 1 4 14 -1.7519 0.9612 1 4 15 -1.1187 -0.7205 1 4 16 -0.2710 2.7634 1 4 17 -4.0992 -2.3367 1 4 18 -6.6692 -0.2479 1 4 19 1.7214 -0.5546 1 5 0 -6.8364 -0.0967 1 5 1 -1.5528 1.5520 1 5 2 -2.1063 -5.5787 1 5 3 -3.3475 -0.2276 1 5 4 4.1264 -3.3540 1 5 5 0.3077 -2.5303 1 5 6 4.6140 1.9717 1 5 7 1.3797 -0.8897 1 5 8 -2.7105 5.9040 1 5 9 1.4939 -0.1539 1 5 10 -4.4852 -2.4023 1 5 11 -0.1777 4.3923 1 5 12 2.6212 -2.4998 1 5 13 -2.3953 -0.8332 1 5 14 -0.1804 0.5461 1 5 15 -0.2647 -3.6987 1 5 16 -3.2889 1.1514 1 5 17 -2.7051 -2.6957 1 5 18 -4.3500 -3.6669 1 5 19 0.0394 -1.8558 1 6 0 -4.2829 -0.0443 1 6 1 -0.8053 -0.1217 1 6 2 1.7021 -2.5868 1 6 3 -1.0420 -1.6386 1 6 4 3.5425 3.0095 1 6 5 4.0562 -1.2704 1 6 6 -0.5187 4.3841 1 6 7 2.3689 2.3835 1 6 8 -3.8992 1.1321 1 6 9 -0.2456 0.8625 1 6 10 -0.2701 -2.2786 1 6 11 -1.1816 2.2530 1 6 12 2.9643 -1.2195 1 6 13 -1.0615 -1.7547 1 6 14 2.9987 2.8139 1 6 15 1.5878 -3.6395 1 6 16 -4.5901 5.9735 1 6 17 0.2093 -1.5898 1 6 18 -6.6742 -1.3885 1 7 0 -2.2764 0.0157 1 7 1 -0.8914 -0.4504 1 7 2 0.1115 -0.9345 1 7 3 -0.7273 -1.6233 1 7 4 1.5656 -0.5443 1 7 5 2.8423 -0.2451 1 7 6 1.9323 0.5302 1 7 7 1.2815 2.1168 1 7 8 0.4851 -1.8338 1 7 9 -0.1559 -0.2185 1 7 10 4.3676 0.2647 1 7 11 0.4727 0.4930 1 7 12 0.4850 3.2863 1 7 13 0.0939 0.9037 1 7 14 0.1363 3.1017 1 7 15 -0.6764 -0.8599 1 7 16 -5.0772 4.8157 1 7 17 0.5748 -0.6373 1 7 18 -5.0071 -0.9322 1 8 0 0.0703 0.0200 1 8 1 -2.1273 0.5441 1 8 2 -2.0239 1.5144 1 8 3 -1.1962 -2.0207 1 8 4 -1.3346 -1.5248 1 8 5 1.0170 0.4923 1 8 6 1.0779 -0.4649 1 8 7 0.1407 2.0307 1 8 8 -0.0617 -1.7547 1 8 9 0.2897 0.0383 1 8 10 1.3522 -0.0350 1 8 11 0.2589 0.6334 1 8 12 -3.1100 0.2703 1 8 13 -2.6713 1.1973 1 8 14 0.5873 -2.6970 1 8 15 -3.2878 -2.2424 1 8 16 0.8338 0.4864 1 8 17 2.3949 -1.4246 1 9 0 3.6481 0.0280 1 9 1 -1.1472 -1.4286 1 9 2 -1.2660 3.7796 1 9 3 0.5488 -2.2093 1 9 4 -2.3003 0.8264 1 9 5 -0.1822 1.0675 1 9 6 -0.0085 -0.3478 1 9 7 -1.0028 2.0270 1 9 8 2.3212 -0.1358 1 9 9 0.2892 -0.3889 1 9 10 1.3613 1.6661 1 9 11 0.4833 -0.4310 1 9 12 -1.5082 1.1022 1 9 13 -2.9539 -1.0015 1 9 14 1.7613 -0.7624 1 9 15 -2.2536 -2.8216 1 9 16 1.1399 0.4669 1 10 0 2.5431 -0.0010 1 10 1 0.8078 -2.8891 1 10 2 -0.9802 0.6207 1 10 3 0.8258 -0.7284 1 10 4 -1.5540 -0.9567 1 10 5 -2.8330 -0.5125 1 10 6 0.3181 -3.6711 1 10 7 -1.0446 0.3458 1 10 8 4.5711 -0.5545 1 10 9 0.6831 -0.1969 1 10 10 0.9094 1.2792 1 10 11 0.4469 -0.2334 1 10 12 -1.1606 2.0625 1 10 13 -2.5781 -1.7930 1 10 14 -0.6684 0.9637 1 10 15 -1.5342 -1.0485 1 11 0 -3.3419 -0.0212 1 11 1 0.2890 -0.2716 1 11 2 -0.7608 -3.7563 1 11 3 -0.7055 -0.0208 1 11 4 -0.5988 1.2269 1 11 5 -2.4512 -2.1780 1 11 6 -3.8074 -1.7783 1 11 7 0.5256 1.3487 1 11 8 -1.8450 -1.0962 1 11 9 -0.6232 1.9868 1 11 10 -3.8529 -4.3946 1 11 11 -1.4493 0.1625 1 11 12 -1.3994 -2.2457 1 11 13 -3.0268 -2.3826 1 12 0 0.8070 -0.0513 1 12 1 0.2886 -0.1559 1 12 2 2.2326 2.6313 1 12 3 0.7964 -0.7411 1 12 4 -3.5160 8.5789 1 12 5 1.0255 -1.7172 1 12 6 -5.5493 1.1201 1 12 7 2.4027 2.9163 1 12 8 -1.8671 1.9297 1 12 9 -0.9837 2.7514 1 12 10 -2.2376 -2.6294 1 12 11 -1.2878 -0.5368 1 12 12 0.8560 0.6659 1 13 0 4.1556 -0.0005 1 13 1 0.0678 -1.3468 1 13 2 2.8104 6.0084 1 13 3 0.9125 -2.0838 1 13 4 -4.9592 7.4697 1 13 5 2.5540 -2.3843 1 13 6 -2.1119 -1.3317 1 13 7 3.7381 1.7391 1 13 8 2.3611 2.0807 1 13 9 0.4345 2.2568 1 13 10 1.2564 -0.0151 1 14 0 -0.4369 -0.0715 1 14 1 -0.9395 -0.7474 1 14 2 0.7786 0.0559 1 14 3 -1.2024 -2.3522 1 14 4 -1.2564 0.2449 1 14 5 1.8102 -2.6450 1 14 6 1.0459 -2.8316 1 14 7 2.8384 0.7269 2 0 0 -42.5580 0.2218 2 0 1 -7.3520 28.3193 2 0 2 -13.5067 -28.4146 2 0 3 -21.3526 14.4185 2 0 4 9.0965 -8.2348 2 0 5 -13.1727 -8.0371 2 0 6 3.5780 -0.0930 2 0 7 1.4787 -4.1250 2 0 8 2.8719 -0.8438 2 0 9 -0.5972 0.7587 2 0 10 3.4562 -0.5615 2 0 11 -0.8964 -1.6563 2 0 12 -1.2949 1.2814 2 0 13 -0.6019 1.8066 2 0 14 -3.9205 -2.7649 2 0 15 1.1635 -5.2086 2 0 16 2.9843 1.8594 2 0 17 10.8095 5.0586 2 0 18 -7.3162 3.6144 2 0 19 -6.7972 7.4418 2 0 20 -0.7983 -11.1591 2 1 0 -13.1359 -0.0630 2 1 1 0.3439 8.3326 2 1 2 1.5655 -9.0925 2 1 3 -6.9009 7.5623 2 1 4 4.8401 6.0105 2 1 5 -4.9429 -4.7699 2 1 6 -4.1675 2.8830 2 1 7 3.4232 -1.0066 2 1 8 -1.9217 -1.8208 2 1 9 0.0570 2.4285 2 1 10 0.9658 -3.0494 2 1 11 -1.4328 -0.9110 2 1 12 1.7440 -0.2949 2 1 13 -0.2202 0.4839 2 1 14 -1.3853 1.6341 2 1 15 2.4175 -3.2070 2 1 16 1.1008 3.1684 2 1 17 6.5334 5.2861 2 1 18 -3.8336 3.1832 2 1 19 -6.7677 2.4790 2 1 20 0.7409 -6.3986 2 2 0 14.9272 -0.0517 2 2 1 10.3049 -17.5692 2 2 2 13.6636 8.9452 2 2 3 12.1700 -0.5736 2 2 4 0.2198 15.1482 2 2 5 4.5355 1.0040 2 2 6 -8.0889 3.3127 2 2 7 4.6665 2.4717 2 2 8 -3.3005 -0.4844 2 2 9 2.0055 3.8232 2 2 10 -2.0968 -1.1722 2 2 11 -0.7023 1.9390 2 2 12 2.0197 0.1705 2 2 13 -1.4363 0.3332 2 2 14 -1.6905 6.1488 2 2 15 3.0711 -0.8969 2 2 16 -3.8671 1.8005 2 2 17 0.3376 5.8393 2 2 18 0.8463 -0.9407 2 2 19 -6.8292 -4.1935 2 2 20 4.6453 -1.1016 2 3 0 7.6952 -0.1223 2 3 1 9.9104 -17.1382 2 3 2 5.5615 5.3987 2 3 3 13.5074 0.9146 2 3 4 -3.0694 6.5172 2 3 5 2.9147 5.9385 2 3 6 -5.6130 -2.7912 2 3 7 0.2110 3.4832 2 3 8 1.4081 -2.1581 2 3 9 0.3457 1.4721 2 3 10 0.5006 2.4122 2 3 11 1.0252 1.5077 2 3 12 -0.9396 2.6152 2 3 13 -2.3075 0.5829 2 3 14 -3.6151 2.3527 2 3 15 3.7195 -2.3909 2 3 16 -2.4051 -1.3816 2 3 17 2.0088 6.5264 2 3 18 2.0870 -1.1272 2 3 19 -4.7033 -2.5879 2 3 20 3.8203 0.1071 2 4 0 1.5090 -0.1149 2 4 1 4.7439 -6.0612 2 4 2 -0.5398 1.9769 2 4 3 5.9432 4.5221 2 4 4 -4.4970 0.0046 2 4 5 -3.0673 6.5899 2 4 6 -3.5300 -6.4515 2 4 7 -4.9095 0.9712 2 4 8 2.9934 -4.8905 2 4 9 -2.0964 -3.1580 2 4 10 3.5728 0.2469 2 4 11 3.3840 -1.9711 2 4 12 0.7392 3.1368 2 4 13 0.5223 1.0187 2 4 14 -1.7413 -0.3634 2 4 15 3.7190 -2.4026 2 4 16 2.5416 -1.5400 2 4 17 4.1999 6.6377 2 4 18 2.5474 2.9359 2 4 19 -3.3983 1.4421 2 5 0 -0.1727 -0.0294 2 5 1 1.0572 0.3395 2 5 2 -1.3575 -1.0730 2 5 3 -0.6497 4.5773 2 5 4 -0.4218 -3.5404 2 5 5 -6.0766 2.1121 2 5 6 2.1102 -4.0596 2 5 7 -4.3486 -3.9062 2 5 8 1.8638 -0.3566 2 5 9 0.9477 -4.1322 2 5 10 -0.5019 -1.1749 2 5 11 3.6237 1.0095 2 5 12 0.6382 1.3730 2 5 13 -0.0075 2.0612 2 5 14 -1.7078 0.5233 2 5 15 0.4617 -1.8520 2 5 16 0.6707 -3.9588 2 5 17 1.0480 3.7092 2 5 18 5.2403 -0.6457 2 5 19 -5.0416 1.1919 2 6 0 -1.7955 -0.0015 2 6 1 0.2323 1.5039 2 6 2 -0.1087 -1.8696 2 6 3 -1.9684 2.7502 2 6 4 2.0173 0.7587 2 6 5 -2.1225 -0.8404 2 6 6 0.5044 1.3187 2 6 7 -0.5180 -2.2026 2 6 8 -1.4125 1.5624 2 6 9 1.5578 -0.4083 2 6 10 -4.1767 -2.2172 2 6 11 -0.7702 4.2957 2 6 12 -1.2450 -1.9381 2 6 13 -1.4051 -2.1116 2 6 14 0.2265 0.3537 2 6 15 1.9128 -4.2476 2 6 16 -1.4869 -3.7249 2 6 17 1.2757 -0.0389 2 6 18 5.4533 -4.1952 2 7 0 -3.5456 0.0496 2 7 1 1.7201 -0.3373 2 7 2 0.6608 -2.7074 2 7 3 -0.3742 2.4741 2 7 4 2.9753 3.6336 2 7 5 1.2401 -1.7197 2 7 6 -0.9086 2.9772 2 7 7 1.8894 0.4413 2 7 8 -0.3786 -0.1551 2 7 9 -0.7089 0.7477 2 7 10 -0.5595 -1.7689 2 7 11 -1.6051 2.2198 2 7 12 -0.4771 0.0138 2 7 13 3.8654 -3.6869 2 7 14 2.3093 3.5637 2 7 15 5.7676 -0.3047 2 7 16 -3.7351 2.3296 2 7 17 0.4267 0.1739 2 7 18 0.2602 -3.6159 2 8 0 -4.1183 0.0094 2 8 1 0.9969 0.8495 2 8 2 0.4131 -3.9422 2 8 3 -1.3335 3.1431 2 8 4 2.4296 1.6207 2 8 5 -0.1770 -2.8790 2 8 6 -0.1751 0.6326 2 8 7 2.9169 -0.8841 2 8 8 0.8063 -1.7270 2 8 9 -1.0796 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-0.3941 -4.2563 21 5 5 -1.6611 -1.4922 21 5 6 2.9385 0.7648 21 5 7 1.3361 -2.5681 21 5 8 1.5256 4.5555 21 6 0 -1.3338 0.1010 21 6 1 -0.0238 -2.3302 21 6 2 -2.9019 -1.8160 21 6 3 0.4404 -0.1551 21 6 4 0.2787 -2.7231 21 6 5 -2.9492 -0.2542 21 6 6 2.5306 0.9020 21 6 7 0.8495 -3.2056 21 7 0 1.0708 0.0221 21 7 1 0.0141 -0.0212 21 7 2 -0.4299 -0.6773 21 7 3 -0.3869 0.7092 21 7 4 -0.4446 -1.8957 21 7 5 -2.0084 0.0876 21 8 0 0.2324 0.0619 21 8 1 -0.5461 0.9797 21 8 2 1.0170 -1.8591 22 0 0 -2.1533 -0.9864 22 0 1 -5.4418 5.3494 22 0 2 -1.6673 -2.7126 22 0 3 -3.0285 -2.5146 22 0 4 0.0647 -2.7669 22 0 5 1.7442 -1.9979 22 0 6 -0.9784 -2.0057 22 0 7 1.2954 -0.8282 22 0 8 1.5068 -0.8952 22 0 9 -1.9179 -2.9135 22 1 0 0.1666 -0.3967 22 1 1 -3.9938 4.0145 22 1 2 1.6576 -1.7652 22 1 3 -2.6716 -2.3099 22 1 4 1.3847 1.5568 22 1 5 2.4446 -2.3475 22 1 6 -3.8971 0.4554 22 1 7 1.5619 0.4924 22 1 8 -1.0478 -1.6272 22 1 9 -3.3811 -2.1609 22 2 0 0.6644 0.0015 22 2 1 -0.4915 2.1738 22 2 2 2.3539 -1.3646 22 2 3 -3.9415 0.5270 22 2 4 0.4743 2.6462 22 2 5 -0.4452 -4.7601 22 2 6 -4.6852 -0.7270 22 2 7 2.7887 -1.3618 22 2 8 -0.6367 -1.6302 22 2 9 -2.3148 -0.3391 22 3 0 0.0848 0.0551 22 3 1 2.8537 -0.7548 22 3 2 -0.0230 -1.3465 22 3 3 -2.4009 2.3314 22 3 4 -1.1467 -0.7261 22 3 5 -1.3979 -4.4364 22 3 6 -1.3024 -3.3161 22 3 7 3.3438 -1.4771 22 3 8 1.4913 -0.4088 22 3 9 -1.1639 1.9136 22 4 0 4.2052 0.0112 22 4 1 1.8263 -0.3386 22 4 2 1.5987 1.1532 22 4 3 -0.0052 0.4726 22 4 4 -0.8519 0.3647 22 4 5 1.8598 -1.2554 22 4 6 0.0453 -1.5798 22 4 7 2.3696 1.6462 22 4 8 0.4120 0.7363 22 5 0 3.9890 -0.1993 22 5 1 -1.9006 3.7231 22 5 2 0.6152 1.6346 22 5 3 -2.0176 -1.0979 22 5 4 -2.0108 0.2511 22 5 5 1.2862 -1.1094 22 5 6 0.0054 -1.6412 22 5 7 1.3604 0.2191 22 6 0 0.3661 -0.1634 22 6 1 -1.7071 1.9382 22 6 2 -1.6985 -0.2399 22 6 3 -1.6116 -1.5216 22 6 4 -1.7751 -0.5433 22 6 5 -0.0904 -1.3031 22 7 0 1.1307 -0.1249 22 7 1 0.3715 -0.6755 22 7 2 -1.5244 0.2779 23 1 0 -2.1210 -0.1064 23 1 1 -3.2911 2.4336 23 1 2 -1.7265 -1.2732 23 1 3 -0.2920 -0.8605 23 1 4 -0.6218 -1.7283 23 1 5 -0.5054 1.1903 23 1 6 1.2221 -0.6194 23 1 7 -0.8694 -1.8689 23 1 8 1.1760 -0.1882 23 2 0 -0.2216 0.0370 23 2 1 -4.4075 2.6713 23 2 2 1.8951 -0.7974 23 2 3 0.1930 -2.6208 23 2 4 1.1057 2.6830 23 2 5 2.2703 1.3684 23 2 6 -1.6116 2.5660 23 2 7 -0.1125 -0.4357 23 3 0 -3.1743 0.0763 23 3 1 -2.0890 1.7780 23 3 2 0.9839 -2.4770 23 3 3 -1.8015 0.1246 23 3 4 0.5417 2.4602 23 3 5 -0.4575 -0.8771 23 3 6 -3.0403 1.2378 23 3 7 0.7188 -2.8093 23 4 0 -4.8117 0.0849 23 4 1 1.5670 -1.6893 23 4 2 -0.4794 -3.3219 23 4 3 -1.3207 2.0694 23 4 4 0.4910 0.4438 23 4 5 -0.8191 -1.1689 23 4 6 -1.6812 0.1933 23 5 0 -0.4038 -0.1149 23 5 1 1.8909 -1.8132 23 5 2 1.5460 -0.6534 23 5 3 -1.0765 1.7697 23 5 4 0.8312 1.0275 23 6 0 0.0513 -0.2862 24 0 0 6.5800 0.4604 24 0 1 2.6746 -3.6203 24 0 2 3.3528 4.1921 24 0 3 -0.5616 0.9608 24 0 4 -2.4993 1.6176 24 0 5 0.6407 0.1394 24 0 6 -3.2782 -2.7105 24 1 0 4.2698 0.1275 24 1 1 1.7660 -1.7125 24 1 2 1.0051 3.4231 24 1 3 -1.9140 2.2525 24 1 4 -3.7091 -0.6332 24 1 5 -2.2950 0.1617 24 2 0 4.6263 -0.1248 24 2 1 -0.4468 -0.0251 24 2 2 0.8089 3.9857 24 2 3 -1.4241 0.5574 24 2 4 -3.7158 -0.8801 24 2 5 -1.3718 0.8978 24 3 0 6.0563 -0.1037 24 3 1 -2.3878 1.0378 24 3 2 2.8787 4.3709 24 3 3 -0.3377 -1.9745 24 3 4 -2.3503 1.4662 24 4 0 0.9801 0.0902 24 4 1 -2.0087 1.3782 24 4 2 0.6357 0.9808 25 1 0 0.8628 0.2444 25 1 1 0.6816 -1.1094 0 0 0 0.0 0.0 ; _iucr_refine_fcf_details ; data_shelx_CCDC1 _computing_structure_refinement 'olex2.refine 1.5-dev (Bourhis et al., 2015)' _shelx_refln_list_code 4 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,z+1/2 3 -x+1/2,y,z+1/2 4 x+1/2,-y,z _space_group_crystal_system orthorhombic _space_group_IT_number 29 _space_group_name_H-M_alt 'P c a 21' _space_group_name_Hall ' P 2c -2ac' _symmetry_space_group_name_H-M 'P c a 21' _symmetry_space_group_name_Hall ' P 2c -2ac' _symmetry_Int_Tables_number 29 _cell_length_a 21.066(8) _cell_length_b 12.519(7) _cell_length_c 17.232(8) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4545(4) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_weight _refln_observed_status -24 -1 -1 608.477 569.354 289.339 40.107 o -24 0 -1 4409.530 4687.930 1037.900 3.089 o -23 -4 -2 815.382 829.443 204.518 79.690 o -23 -4 -1 1291.260 1939.770 436.337 17.552 o -23 -3 -4 269.912 528.502 558.517 10.789 o -23 -3 -3 425.938 384.584 239.247 58.705 o -23 -3 -2 803.274 808.816 324.691 31.811 o -23 -3 -1 296.951 409.420 220.180 69.342 o -23 -2 -5 1433.080 1488.510 429.932 18.085 o -23 -2 -4 6.132 -5.530 181.366 102.343 o -23 -2 -3 1411.940 1361.680 370.487 24.312 o -23 -2 -2 912.101 707.648 272.408 45.098 o -23 -2 -1 828.335 643.396 285.781 41.037 o -23 -1 -5 715.860 88.873 334.371 30.067 o -23 -1 -4 748.522 527.036 292.745 39.153 o -23 -1 -3 68.461 26.577 196.427 87.246 o -23 -1 -2 4489.260 4935.230 757.863 5.728 o -23 -1 -1 2517.600 2431.330 503.455 13.084 o -22 -5 -3 1090.190 961.800 364.621 25.193 o -22 -5 -2 1805.880 1755.800 276.766 42.841 o -22 -5 -1 215.017 106.439 245.297 55.930 o -22 -4 -5 64.650 62.936 128.257 204.615 o -22 -4 -4 855.567 909.253 215.822 71.548 o -22 -4 -3 183.841 274.270 177.017 107.337 o -22 -4 -2 389.901 462.315 162.328 127.244 o -22 -4 -1 265.952 391.937 166.890 120.613 o -22 -3 -6 1950.970 2190.280 397.902 20.925 o -22 -3 -5 1712.390 1496.970 289.825 39.298 o -22 -3 -4 426.305 357.500 129.637 199.120 o -22 -3 -3 1603.670 2121.210 362.120 25.296 o -22 -3 -2 2582.860 2352.670 441.849 16.907 o -22 -3 -1 589.761 441.258 246.916 55.054 o -22 -2 -7 421.704 371.291 147.157 154.731 o -22 -2 -6 418.268 521.221 218.310 70.448 o -22 -2 -5 154.148 324.345 274.435 44.682 o -22 -2 -4 66.898 -109.272 210.115 76.251 o -22 -2 -3 34.952 118.751 172.376 113.287 o -22 -2 -2 1497.720 1433.670 390.951 21.833 o -22 -2 -1 296.286 398.034 223.556 67.269 o -22 -1 -7 173.586 259.295 133.778 187.840 o -22 -1 -6 306.236 413.150 266.080 47.501 o -22 -1 -5 738.874 680.622 307.455 35.493 o -22 -1 -4 180.387 288.940 304.369 36.327 o -22 -1 -3 1152.480 1223.610 302.440 36.462 o -22 -1 -2 82.197 303.757 222.673 67.874 o -22 -1 -1 1178.590 622.578 296.868 37.935 o -22 0 -8 1617.910 1485.680 393.376 21.541 o -22 0 -7 697.474 488.729 332.414 30.398 o -22 0 -6 2161.090 868.103 473.946 14.864 o -22 0 -5 509.644 451.988 370.895 24.445 o -22 0 -4 663.330 1238.130 573.953 10.205 o -22 0 -3 400.304 360.242 361.981 25.674 o -22 0 -2 1937.080 1444.010 546.994 11.179 o -22 0 -1 85.271 90.876 303.934 36.441 o -21 -7 -1 428.871 463.573 317.078 33.444 o -21 -6 -5 1875.980 1412.410 346.625 27.598 o -21 -6 -4 518.879 972.580 590.693 9.641 o -21 -6 -3 789.442 672.166 269.654 46.076 o -21 -6 -2 576.187 504.186 212.759 74.060 o -21 -6 -1 110.209 242.353 175.289 109.509 o -21 -5 -6 75.047 50.398 262.320 48.920 o -21 -5 -5 83.667 111.190 158.835 133.410 o -21 -5 -4 650.027 816.023 509.600 12.948 o -21 -5 -3 64.809 44.687 142.569 165.605 o -21 -5 -2 360.803 410.168 185.793 97.276 o -21 -5 -1 709.356 602.832 176.008 107.692 o -21 -4 -7 1206.040 1164.480 202.296 80.531 o -21 -4 -6 480.574 604.177 169.989 115.825 o -21 -4 -5 2270.310 2235.070 281.263 40.921 o -21 -4 -4 1985.360 1551.510 309.525 34.386 o -21 -4 -3 1543.100 1252.080 333.756 29.874 o -21 -4 -2 1407.430 1372.610 245.359 54.822 o -21 -4 -1 225.137 228.597 200.298 83.844 o -21 -3 -8 857.200 926.393 171.943 112.050 o -21 -3 -7 153.645 202.639 113.807 259.556 o -21 -3 -6 384.286 329.446 159.304 132.222 o -21 -3 -5 306.288 184.899 125.512 213.106 o -21 -3 -4 214.971 161.399 193.112 90.213 o -21 -3 -3 159.336 451.252 263.370 48.504 o -21 -3 -2 3.013 -60.238 152.349 145.040 o -21 -3 -1 70.078 277.868 140.645 170.082 o -21 -2 -9 161.595 18.382 135.846 182.342 o -21 -2 -8 27.759 176.687 124.046 218.727 o -21 -2 -7 66.307 -92.250 132.161 192.723 o -21 -2 -6 2282.630 1661.470 245.090 53.661 o -21 -2 -5 362.315 473.005 216.835 71.450 o -21 -2 -4 2064.560 1904.840 251.640 51.141 o -21 -2 -3 842.807 553.499 244.689 55.905 o -21 -2 -2 1814.120 1824.380 412.258 19.572 o -21 -2 -1 809.764 949.572 378.314 23.447 o -21 -1 -9 851.043 931.719 291.277 39.457 o -21 -1 -8 394.498 511.011 151.128 146.648 o -21 -1 -7 1873.200 1542.810 229.099 61.871 o -21 -1 -6 1919.720 2485.830 257.466 48.761 o -21 -1 -5 1617.720 882.452 469.815 15.171 o -21 -1 -4 1638.310 1845.070 456.364 16.025 o -21 -1 -3 619.612 516.340 342.850 28.588 o -21 -1 -2 1204.440 1207.700 348.380 27.533 o -21 -1 -1 1091.130 1120.660 290.273 39.601 o -20 -7 -5 756.939 550.265 249.868 53.668 o -20 -7 -4 593.772 873.484 192.462 90.172 o -20 -7 -3 1039.840 804.489 189.991 91.807 o -20 -7 -2 109.873 159.678 158.312 134.268 o -20 -7 -1 1154.290 1168.070 384.515 22.642 o -20 -6 -7 306.923 726.643 162.991 126.133 o -20 -6 -6 211.284 387.178 173.515 111.647 o -20 -6 -5 536.728 583.042 161.348 128.383 o -20 -6 -4 671.589 818.698 203.216 80.888 o -20 -6 -3 437.598 783.051 272.458 45.234 o -20 -6 -2 584.574 784.660 194.148 88.694 o -20 -6 -1 753.137 931.935 235.377 60.318 o -20 -5 -8 990.994 869.446 317.955 33.116 o -20 -5 -7 449.028 538.034 134.222 185.402 o -20 -5 -6 2015.930 1986.350 374.995 23.523 o -20 -5 -5 104.036 139.569 111.051 272.793 o -20 -5 -4 1807.540 1368.950 304.782 35.586 o -20 -5 -3 516.831 468.124 298.521 37.711 o -20 -5 -2 507.049 394.573 242.897 56.927 o -20 -5 -1 569.146 660.133 201.201 82.704 o -20 -4 -9 22.655 25.670 185.320 98.022 o -20 -4 -8 589.402 847.360 221.669 68.119 o -20 -4 -7 254.375 297.869 227.012 65.267 o -20 -4 -6 505.003 506.562 125.528 211.519 o -20 -4 -5 584.441 527.938 220.868 68.730 o -20 -4 -4 124.107 66.170 128.540 203.664 o -20 -4 -3 1769.610 1901.360 309.809 34.345 o -20 -4 -2 617.036 -65.659 194.724 88.539 o -20 -4 -1 1228.690 1442.410 246.609 54.419 o -20 -3 -10 695.613 989.241 235.346 60.355 o -20 -3 -9 1985.610 1912.580 258.552 48.627 o -20 -3 -8 13.137 169.301 124.656 216.607 o -20 -3 -7 1959.390 2037.600 222.764 64.660 o -20 -3 -6 707.742 664.172 239.246 58.510 o -20 -3 -5 498.465 532.224 158.449 133.234 o -20 -3 -4 2470.380 2750.910 342.337 27.762 o -20 -3 -3 1004.500 904.523 196.086 86.245 o -20 -3 -2 2004.340 1831.650 252.598 50.890 o -20 -3 -1 305.287 374.770 242.166 57.339 o -20 -2 -10 362.317 1060.100 568.300 10.416 o -20 -2 -9 1863.010 2260.490 574.725 10.116 o -20 -2 -8 297.161 558.763 150.315 148.392 o -20 -2 -7 653.526 626.093 154.499 139.530 o -20 -2 -6 349.387 368.124 154.127 141.249 o -20 -2 -5 679.831 612.813 228.019 64.417 o -20 -2 -4 987.449 1177.280 336.493 29.553 o -20 -2 -3 499.783 399.945 263.409 48.425 o -20 -2 -2 304.969 274.044 193.316 89.952 o -20 -2 -1 157.662 566.401 200.169 83.906 o -20 -1 -10 367.266 532.364 225.557 66.026 o -20 -1 -9 114.396 170.166 249.909 53.892 o -20 -1 -8 94.847 -42.228 124.565 216.923 o -20 -1 -7 130.397 227.984 104.880 305.587 o -20 -1 -6 122.530 3.411 125.437 213.894 o -20 -1 -5 264.460 218.869 103.693 311.975 o -20 -1 -4 390.759 324.240 234.359 61.199 o -20 -1 -3 276.268 1.980 202.750 81.851 o -20 -1 -2 1046.720 524.540 311.543 34.517 o -20 -1 -1 260.427 259.816 167.829 119.341 o -20 0 -11 1291.340 1277.240 890.496 4.240 o -20 0 -10 156.243 224.363 366.330 25.082 o -20 0 -9 2176.580 2313.210 474.728 14.738 o -20 0 -8 689.381 1621.630 612.216 8.967 o -20 0 -7 1787.890 2455.340 554.930 10.844 o -20 0 -6 3717.820 3862.160 646.892 7.879 o -20 0 -5 3185.930 2493.870 792.011 5.321 o -20 0 -4 4762.880 4232.030 1004.630 3.293 o -20 0 -3 1515.370 996.156 457.423 16.004 o -20 0 -2 3953.390 4507.920 996.808 3.352 o -20 0 -1 632.052 344.372 289.585 40.059 o -19 -8 -5 1172.740 686.177 446.318 16.846 o -19 -8 -4 420.083 124.738 239.164 58.788 o -19 -8 -3 1231.920 1370.780 259.581 49.222 o -19 -8 -2 449.480 970.487 205.419 79.327 o -19 -8 -1 2097.970 2328.640 382.429 22.566 o -19 -7 -7 192.218 210.916 201.354 82.983 o -19 -7 -6 78.766 184.617 167.402 120.094 o -19 -7 -5 854.154 718.833 206.379 78.294 o -19 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11 2 7 16838.500 15540.100 411.466 10.023 o 11 2 8 375.054 211.880 113.472 260.164 o 11 2 9 4386.340 4338.570 329.348 27.986 o 11 2 10 612.875 650.049 202.036 81.987 o 11 2 11 430.825 429.736 152.664 143.735 o 11 2 12 510.093 496.289 164.884 123.110 o 11 2 13 2909.170 3089.020 347.584 26.660 o 11 2 14 136.125 101.211 171.736 114.105 o 11 2 15 3209.250 4279.960 619.751 8.589 o 11 2 16 149.239 19.154 254.334 52.037 o 11 2 17 438.671 358.458 258.554 50.279 o 11 3 0 79.082 232.925 104.138 310.122 o 11 3 1 1145.050 1034.120 147.622 149.274 o 11 3 2 33.328 68.734 51.412 1273.000 o 11 3 3 3552.240 3494.350 173.765 88.781 o 11 3 4 322.347 310.849 70.210 674.343 o 11 3 5 8452.470 8365.910 265.409 29.439 o 11 3 6 166.423 199.374 78.686 542.016 o 11 3 7 2399.060 2591.560 269.940 43.935 o 11 3 8 44.033 241.932 95.524 368.626 o 11 3 9 46.623 -42.775 102.889 317.984 o 11 3 10 311.266 477.965 127.104 207.310 o 11 3 11 74.710 86.982 120.866 230.380 o 11 3 12 144.648 248.625 197.501 86.260 o 11 3 13 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3 1747.350 2033.490 190.966 87.282 o 11 5 4 789.524 1060.330 142.403 162.179 o 11 5 5 80.872 -71.609 95.081 372.301 o 11 5 6 324.955 217.689 122.002 225.386 o 11 5 7 1650.810 1684.920 244.360 54.809 o 11 5 8 228.533 53.908 135.554 183.030 o 11 5 9 1877.140 1998.180 283.681 40.682 o 11 5 10 213.809 48.644 154.781 140.428 o 11 5 11 584.165 716.285 198.461 84.945 o 11 5 12 14.426 48.821 160.366 130.899 o 11 5 13 1867.080 1776.140 328.802 30.549 o 11 5 14 73.136 411.085 236.009 60.415 o 11 5 15 605.210 695.838 259.364 49.859 o 11 5 16 122.543 678.484 341.206 28.901 o 11 6 0 1454.270 1290.100 140.019 161.712 o 11 6 1 956.399 1015.560 130.287 191.664 o 11 6 2 2834.520 2672.670 193.535 79.697 o 11 6 3 3572.390 3527.880 236.548 52.776 o 11 6 4 97.181 -14.314 65.136 792.987 o 11 6 5 8646.780 8162.980 459.423 13.169 o 11 6 6 2604.470 2639.290 331.537 29.491 o 11 6 7 1612.750 1845.010 293.173 38.378 o 11 6 8 1741.040 1676.780 289.960 39.187 o 11 6 9 147.286 129.266 160.295 130.955 o 11 6 10 504.065 305.585 156.866 136.152 o 11 6 11 185.554 33.313 169.038 117.769 o 11 6 12 52.171 210.107 205.027 80.072 o 11 6 13 488.008 112.686 216.011 72.021 o 11 6 14 348.199 63.979 332.459 30.447 o 11 6 15 2044.850 2357.380 461.884 15.571 o 11 7 0 1.029 14.206 61.069 902.673 o 11 7 1 2230.040 2152.090 182.710 92.512 o 11 7 2 278.853 210.959 88.184 430.654 o 11 7 3 1614.550 1524.450 191.311 88.234 o 11 7 4 1266.270 1289.710 180.716 100.005 o 11 7 5 3181.460 3013.750 346.881 26.639 o 11 7 6 295.510 224.903 182.819 100.584 o 11 7 7 3914.160 3515.660 426.634 17.638 o 11 7 8 41.804 58.499 134.754 185.375 o 11 7 9 987.871 1144.060 258.094 50.035 o 11 7 10 288.067 -95.996 201.039 83.246 o 11 7 11 358.237 173.673 221.443 68.575 o 11 7 12 63.142 -8.772 293.869 38.981 o 11 7 13 2368.630 2076.900 491.848 13.735 o 11 7 14 6.998 353.456 462.122 15.763 o 11 8 0 124.256 422.522 117.035 245.221 o 11 8 1 1667.950 1930.420 266.545 46.145 o 11 8 2 267.568 215.731 97.457 353.001 o 11 8 3 2023.470 2274.020 226.723 62.168 o 11 8 4 369.306 398.653 152.349 144.486 o 11 8 5 906.646 1127.860 161.739 125.828 o 11 8 6 1152.260 1391.370 260.321 48.998 o 11 8 7 516.317 587.444 226.982 65.113 o 11 8 8 231.571 99.568 173.041 112.346 o 11 8 9 183.830 115.629 215.716 72.319 o 11 8 10 683.064 573.994 281.800 42.255 o 11 8 11 202.106 -311.405 213.597 73.769 o 11 8 12 88.307 -56.849 245.282 55.953 o 11 8 13 587.112 172.006 294.624 38.727 o 11 9 0 33.287 38.311 97.988 350.584 o 11 9 1 1541.230 1587.680 218.944 68.096 o 11 9 2 91.824 8.212 114.445 256.977 o 11 9 3 2739.810 2111.980 272.028 43.180 o 11 9 4 522.320 421.241 132.388 190.470 o 11 9 5 2171.390 2051.770 235.537 57.754 o 11 9 6 111.434 -109.256 165.243 123.273 o 11 9 7 1261.190 1162.380 407.531 20.157 o 11 9 8 165.375 -186.232 214.210 73.353 o 11 9 9 604.518 257.687 264.149 48.145 o 11 9 10 261.359 299.995 275.847 44.215 o 11 9 11 807.700 249.285 281.385 42.390 o 11 9 12 167.104 -213.126 277.876 43.594 o 11 10 0 49.759 110.212 140.488 170.540 o 11 10 1 3018.820 3222.800 317.088 31.627 o 11 10 2 691.394 687.146 325.058 31.771 o 11 10 3 417.193 343.052 199.049 84.763 o 11 10 4 52.231 -147.668 109.740 279.522 o 11 10 5 545.998 546.830 150.249 147.914 o 11 10 6 41.999 -258.632 195.715 87.885 o 11 10 7 1923.860 1826.180 381.571 22.775 o 11 10 8 91.332 -108.398 436.149 17.697 o 11 10 9 587.578 710.284 325.631 31.675 o 11 10 10 191.509 435.903 427.265 18.436 o 11 11 0 158.434 471.095 208.710 77.207 o 11 11 1 1854.330 1363.500 244.619 54.643 o 11 11 2 321.686 369.189 183.824 99.417 o 11 11 3 2195.040 2442.010 500.321 13.278 o 11 11 4 151.870 63.535 332.324 30.480 o 11 11 5 1919.890 1450.560 231.917 60.428 o 11 11 6 211.763 -146.049 245.977 55.628 o 11 11 7 676.895 365.606 344.696 28.285 o 11 11 8 34.904 61.493 284.180 41.685 o 11 12 0 32.206 -97.580 167.785 119.580 o 11 12 1 1089.890 1098.400 274.533 44.233 o 11 12 2 420.842 321.094 398.180 21.221 o 11 12 3 2087.250 2069.770 455.432 16.023 o 11 12 4 76.456 -45.351 227.330 65.139 o 11 12 5 571.958 588.286 278.391 43.322 o 12 0 0 10517.900 10916.800 595.839 7.917 o 12 0 1 247.519 390.965 139.049 173.628 o 12 0 2 8873.250 8846.770 495.484 11.445 o 12 0 3 1252.080 1232.570 170.216 112.464 o 12 0 4 366.105 238.439 93.464 382.532 o 12 0 5 11681.800 11094.900 533.960 9.179 o 12 0 6 7078.990 6705.320 352.272 21.856 o 12 0 7 8401.540 8207.080 408.155 16.061 o 12 0 8 7930.420 7999.720 453.345 13.759 o 12 0 9 2209.660 2217.350 269.527 44.486 o 12 0 10 455.536 558.111 252.828 52.543 o 12 0 11 82.275 139.083 190.228 93.013 o 12 0 12 2413.730 3085.200 497.209 13.384 o 12 0 13 3080.130 3176.300 698.500 6.816 o 12 0 14 1822.990 1935.650 373.887 23.718 o 12 0 15 2509.870 2626.680 437.216 17.248 o 12 0 16 779.679 483.185 474.025 14.963 o 12 0 17 674.179 965.297 488.401 14.091 o 12 1 0 10571.000 11115.800 466.812 11.630 o 12 1 1 899.189 1291.130 167.507 117.237 o 12 1 2 1830.690 1957.260 155.045 128.442 o 12 1 3 744.772 926.999 113.275 254.401 o 12 1 4 409.337 422.451 79.963 517.906 o 12 1 5 2028.050 2040.010 164.529 113.635 o 12 1 6 1398.470 1242.960 126.589 196.328 o 12 1 7 3587.720 3883.840 233.511 53.489 o 12 1 8 2903.810 2941.830 197.392 76.117 o 12 1 9 1554.800 1527.230 146.768 146.245 o 12 1 10 357.196 544.194 112.729 262.661 o 12 1 11 86.202 118.223 111.196 272.139 o 12 1 12 284.742 129.783 134.565 185.567 o 12 1 13 1772.700 1750.170 273.912 43.745 o 12 1 14 544.643 327.563 183.763 99.285 o 12 1 15 633.536 516.283 157.658 134.257 o 12 1 16 689.658 417.680 324.070 31.987 o 12 1 17 125.284 25.097 450.427 16.592 o 12 2 0 3584.640 3369.840 218.674 60.705 o 12 2 1 2479.640 2641.210 184.967 88.161 o 12 2 2 1925.180 2113.840 171.235 105.971 o 12 2 3 4548.940 4616.150 237.418 48.578 o 12 2 4 2013.160 2129.230 164.744 113.173 o 12 2 5 10871.800 10552.800 355.807 16.975 o 12 2 6 1054.960 1098.410 136.258 174.662 o 12 2 7 3492.400 3521.030 243.230 50.434 o 12 2 8 1907.020 1879.960 164.248 115.262 o 12 2 9 209.733 321.360 182.986 100.426 o 12 2 10 190.840 163.307 142.650 165.267 o 12 2 11 132.086 397.781 126.831 208.884 o 12 2 12 776.784 1021.640 230.726 62.701 o 12 2 13 238.509 185.109 201.417 82.919 o 12 2 14 609.132 400.543 248.728 54.257 o 12 2 15 532.944 350.213 243.302 56.737 o 12 2 16 367.538 338.761 222.483 67.901 o 12 3 0 11926.500 11830.700 373.546 14.824 o 12 3 1 1011.620 1199.860 173.092 109.745 o 12 3 2 1808.720 1953.710 205.520 75.867 o 12 3 3 2591.150 2839.510 195.097 79.233 o 12 3 4 2759.790 2538.160 156.455 116.314 o 12 3 5 10692.500 11027.900 417.226 13.667 o 12 3 6 6220.400 6124.460 232.446 43.309 o 12 3 7 12911.100 11692.500 516.001 9.273 o 12 3 8 5060.880 4673.280 351.204 24.325 o 12 3 9 4902.470 4910.460 369.798 22.200 o 12 3 10 90.759 260.281 130.911 196.281 o 12 3 11 606.443 444.418 229.490 63.692 o 12 3 12 2653.570 2108.940 321.727 31.377 o 12 3 13 1854.650 1543.340 291.522 38.747 o 12 3 14 1924.550 2118.680 319.839 32.139 o 12 3 15 961.611 1021.090 312.284 34.310 o 12 3 16 295.211 -3.901 348.405 27.728 o 12 4 0 900.018 1224.520 138.202 170.636 o 12 4 1 1897.130 1908.470 226.759 62.741 o 12 4 2 1111.550 1401.990 187.591 93.268 o 12 4 3 2110.280 2227.880 186.166 89.731 o 12 4 4 1091.380 1132.410 119.632 223.424 o 12 4 5 2371.320 2817.130 159.143 115.068 o 12 4 6 586.686 484.349 162.232 126.996 o 12 4 7 295.124 326.923 136.277 180.708 o 12 4 8 341.823 300.499 120.228 231.825 o 12 4 9 202.663 217.451 134.908 184.697 o 12 4 10 152.225 -221.936 125.254 214.492 o 12 4 11 43.703 104.195 136.552 180.515 o 12 4 12 622.409 573.056 232.798 61.858 o 12 4 13 404.519 1148.100 277.367 43.609 o 12 4 14 92.594 -28.962 275.923 44.216 o 12 4 15 1052.630 1034.240 339.918 28.965 o 12 4 16 329.068 185.435 386.663 22.509 o 12 5 0 2040.000 1849.180 161.370 118.297 o 12 5 1 14.610 22.683 64.033 820.987 o 12 5 2 761.143 903.850 123.456 215.159 o 12 5 3 1260.980 1279.910 168.754 114.225 o 12 5 4 1528.130 1747.420 185.786 93.245 o 12 5 5 4262.470 4003.270 244.639 47.656 o 12 5 6 1499.060 1464.000 238.523 57.780 o 12 5 7 2220.610 1963.990 278.931 41.755 o 12 5 8 1234.070 1065.740 208.045 76.264 o 12 5 9 950.968 1026.040 207.800 76.911 o 12 5 10 52.072 234.727 171.459 114.480 o 12 5 11 754.005 607.716 217.375 70.783 o 12 5 12 352.661 372.110 295.964 38.397 o 12 5 13 1329.120 1505.030 311.015 34.379 o 12 5 14 1056.050 1017.580 294.260 38.578 o 12 5 15 2801.620 1789.790 418.365 18.829 o 12 6 0 2924.610 3078.670 198.685 74.882 o 12 6 1 2164.960 2432.070 197.180 80.107 o 12 6 2 1119.120 1134.910 168.921 114.830 o 12 6 3 1076.110 1202.510 153.604 138.149 o 12 6 4 29.853 178.088 94.329 378.169 o 12 6 5 259.408 309.186 104.865 304.826 o 12 6 6 3689.360 3629.720 344.616 26.488 o 12 6 7 237.248 9.692 124.133 218.242 o 12 6 8 721.147 914.443 229.460 63.477 o 12 6 9 357.776 409.621 171.118 114.627 o 12 6 10 375.618 127.944 186.292 96.854 o 12 6 11 911.881 868.481 253.338 52.049 o 12 6 12 1003.610 174.149 242.874 56.755 o 12 6 13 925.107 829.101 280.359 42.562 o 12 6 14 1175.710 1358.740 372.991 24.034 o 12 7 0 26.083 22.396 69.504 696.802 o 12 7 1 1515.360 1601.580 199.860 81.277 o 12 7 2 12.200 36.184 71.895 651.252 o 12 7 3 2062.810 1784.440 208.385 73.461 o 12 7 4 879.590 1452.200 184.273 97.112 o 12 7 5 618.006 774.644 124.876 212.100 o 12 7 6 1428.300 1493.010 273.645 44.189 o 12 7 7 592.059 1019.310 246.552 55.077 o 12 7 8 324.855 383.460 204.918 80.030 o 12 7 9 773.993 899.322 256.297 50.929 o 12 7 10 136.971 132.028 225.653 66.098 o 12 7 11 224.259 332.585 236.244 60.273 o 12 7 12 365.922 134.028 278.779 43.287 o 12 7 13 878.092 993.228 346.636 27.896 o 12 7 14 3.571 -26.022 307.597 35.580 o 12 8 0 516.371 556.595 126.403 208.428 o 12 8 1 20.729 58.742 119.860 234.314 o 12 8 2 650.608 573.883 151.104 145.895 o 12 8 3 1592.930 2067.270 284.070 40.759 o 12 8 4 512.880 504.698 175.718 108.462 o 12 8 5 2136.510 2174.210 221.921 64.606 o 12 8 6 1431.740 1476.990 296.788 37.665 o 12 8 7 1501.090 1456.540 326.319 31.214 o 12 8 8 220.116 -1.191 215.924 72.184 o 12 8 9 135.119 -28.928 225.504 66.194 o 12 8 10 198.239 225.796 258.474 50.369 o 12 8 11 442.783 480.076 286.060 41.075 o 12 8 12 1045.440 961.732 329.852 30.760 o 12 8 13 470.042 470.803 331.272 30.638 o 12 9 0 2260.830 2947.100 331.989 29.517 o 12 9 1 2298.720 2902.200 270.841 43.594 o 12 9 2 1357.200 1464.440 222.695 66.276 o 12 9 3 643.467 755.579 194.446 88.367 o 12 9 4 570.451 622.104 163.376 125.121 o 12 9 5 464.256 266.029 139.111 173.082 o 12 9 6 2202.780 1465.370 345.177 27.703 o 12 9 7 2160.220 1698.860 328.934 30.413 o 12 9 8 49.901 -213.865 211.874 74.990 o 12 9 9 1021.120 652.606 356.678 26.358 o 12 9 10 337.692 353.239 290.873 39.755 o 12 9 11 972.134 992.255 367.599 24.804 o 12 10 0 474.073 389.823 303.946 36.391 o 12 10 1 965.343 1226.290 259.747 49.395 o 12 10 2 829.727 845.755 183.287 98.938 o 12 10 3 4685.490 4895.880 480.126 13.768 o 12 10 4 544.054 755.085 171.895 113.038 o 12 10 5 1649.800 1409.890 199.610 81.375 o 12 10 6 208.499 14.555 276.143 44.140 o 12 10 7 518.467 264.028 251.814 52.992 o 12 10 8 64.173 412.124 325.536 31.761 o 12 10 9 83.113 -398.200 237.937 59.461 o 12 10 10 993.080 1286.780 371.268 24.293 o 12 11 0 1467.180 1068.580 229.274 62.727 o 12 11 1 446.613 763.625 214.753 72.697 o 12 11 2 446.600 644.877 214.691 72.780 o 12 11 3 487.276 152.400 242.767 57.036 o 12 11 4 258.948 -98.508 227.347 65.108 o 12 11 5 100.903 -273.596 208.444 77.476 o 12 11 6 314.826 99.090 291.152 39.696 o 12 11 7 483.655 357.970 381.687 23.088 o 12 12 0 143.477 64.545 225.803 66.014 o 12 12 1 912.503 1327.660 276.732 43.571 o 12 12 2 462.567 525.707 268.258 46.687 o 12 12 3 803.177 1046.020 451.638 16.465 o 12 12 4 215.267 -51.970 332.463 30.453 o 13 1 0 18803.600 18094.700 713.155 4.663 o 13 1 1 4664.660 4623.440 225.458 52.422 o 13 1 2 3299.780 3391.410 202.966 70.048 o 13 1 3 3897.370 3747.940 228.841 54.713 o 13 1 4 688.282 810.993 106.538 288.234 o 13 1 5 2259.700 2545.150 202.266 75.918 o 13 1 6 4288.850 3780.180 195.146 69.293 o 13 1 7 885.904 1057.840 144.438 157.216 o 13 1 8 4088.400 3692.650 272.390 40.132 o 13 1 9 2050.410 2324.950 197.572 80.395 o 13 1 10 300.888 374.311 99.537 337.551 o 13 1 11 2019.020 2472.380 215.171 68.405 o 13 1 12 1278.630 1693.310 197.718 83.462 o 13 1 13 2195.410 1896.840 275.878 42.707 o 13 1 14 1876.250 2497.250 313.038 33.437 o 13 1 15 485.918 504.906 310.161 34.940 o 13 1 16 687.805 667.524 257.450 50.572 o 13 2 0 13430.400 13576.100 545.390 8.213 o 13 2 1 4164.750 4189.330 233.134 51.690 o 13 2 2 2049.960 2109.980 175.258 100.891 o 13 2 3 1009.670 1216.810 154.682 136.587 o 13 2 4 1570.780 1571.220 156.668 129.120 o 13 2 5 2119.370 2209.950 189.382 86.932 o 13 2 6 7074.620 6896.000 287.338 29.787 o 13 2 7 610.804 652.012 109.935 273.091 o 13 2 8 8130.970 7199.090 309.319 25.212 o 13 2 9 1393.210 1253.100 234.978 59.755 o 13 2 10 356.828 638.343 189.492 93.427 o 13 2 11 26.081 57.935 152.066 145.577 o 13 2 12 2762.950 3036.730 403.595 20.047 o 13 2 13 56.166 181.099 216.118 72.067 o 13 2 14 1927.170 2618.990 477.509 14.580 o 13 2 15 264.631 55.108 253.934 52.188 o 13 2 16 638.655 802.965 297.238 37.975 o 13 3 0 66.784 181.838 84.383 472.324 o 13 3 1 2681.240 2847.120 288.130 38.406 o 13 3 2 108.904 103.516 63.312 838.350 o 13 3 3 932.860 966.617 135.791 177.267 o 13 3 4 1573.530 1872.990 168.119 112.226 o 13 3 5 3370.830 3701.760 219.499 60.461 o 13 3 6 784.473 856.285 104.017 299.932 o 13 3 7 2738.640 2608.900 227.457 59.866 o 13 3 8 211.383 247.927 117.285 244.178 o 13 3 9 2405.920 2212.230 290.520 38.344 o 13 3 10 307.354 354.687 143.573 162.804 o 13 3 11 1096.870 1046.900 235.159 60.091 o 13 3 12 81.782 60.776 180.196 103.665 o 13 3 13 547.708 803.148 233.085 61.683 o 13 3 14 140.171 195.232 211.841 74.990 o 13 3 15 607.409 641.319 279.394 42.995 o 13 3 16 316.998 152.593 308.457 35.366 o 13 4 0 5620.370 5478.670 281.123 34.264 o 13 4 1 3385.110 3444.520 255.934 46.321 o 13 4 2 1460.200 1742.770 262.305 47.887 o 13 4 3 2432.040 2081.260 213.988 68.552 o 13 4 4 539.442 463.702 107.287 288.366 o 13 4 5 465.299 540.394 108.294 283.456 o 13 4 6 5889.900 5445.130 277.975 34.467 o 13 4 7 384.141 459.527 141.854 166.438 o 13 4 8 3769.010 3971.010 355.559 24.839 o 13 4 9 1611.120 1762.080 277.285 42.832 o 13 4 10 168.455 111.516 129.137 201.701 o 13 4 11 1174.950 879.030 247.062 54.511 o 13 4 12 1603.960 1447.560 295.047 38.020 o 13 4 13 567.539 368.753 248.317 54.458 o 13 4 14 1193.040 1594.060 332.710 30.115 o 13 4 15 719.294 996.034 308.068 35.320 o 13 5 0 4315.280 3736.430 264.729 41.768 o 13 5 1 39.481 52.404 72.897 633.359 o 13 5 2 1657.330 1976.950 227.431 62.748 o 13 5 3 298.983 218.239 91.180 402.704 o 13 5 4 1667.650 1684.710 168.299 112.001 o 13 5 5 2862.140 2796.500 183.486 87.080 o 13 5 6 6120.850 5763.680 406.185 17.976 o 13 5 7 1011.860 885.486 206.711 77.726 o 13 5 8 2965.960 3551.830 345.974 26.743 o 13 5 9 320.107 98.031 138.518 175.110 o 13 5 10 113.226 188.738 174.004 111.143 o 13 5 11 265.821 294.013 195.281 88.169 o 13 5 12 1826.420 1777.560 352.784 26.615 o 13 5 13 17.329 -113.407 198.182 85.712 o 13 5 14 1156.620 1137.550 445.225 16.913 o 13 5 15 43.409 -73.456 238.666 59.099 o 13 6 0 139.119 98.550 88.360 430.643 o 13 6 1 2956.600 3044.540 260.074 46.017 o 13 6 2 790.455 844.635 137.015 175.539 o 13 6 3 1389.960 1442.600 190.283 89.931 o 13 6 4 1787.620 1850.640 208.675 73.874 o 13 6 5 1540.320 1495.580 153.184 135.170 o 13 6 6 16.994 -136.315 94.873 374.010 o 13 6 7 2046.200 2022.100 307.805 34.593 o 13 6 8 541.656 699.610 256.651 50.938 o 13 6 9 3713.520 3740.710 431.272 17.302 o 13 6 10 394.629 399.539 246.012 55.534 o 13 6 11 1787.320 1346.540 303.358 35.931 o 13 6 12 461.309 316.393 233.718 61.510 o 13 6 13 1123.140 473.477 303.156 36.428 o 13 6 14 180.412 -27.757 266.938 47.238 o 13 7 0 1552.380 1521.100 184.843 94.461 o 13 7 1 366.296 515.452 114.821 253.288 o 13 7 2 1540.540 1466.380 184.133 95.294 o 13 7 3 30.840 363.521 107.662 290.121 o 13 7 4 2529.860 2341.200 232.789 58.085 o 13 7 5 333.019 243.759 122.535 223.361 o 13 7 6 2311.920 2998.050 417.827 18.852 o 13 7 7 568.414 501.487 229.481 63.702 o 13 7 8 622.890 630.683 288.287 40.388 o 13 7 9 857.219 742.081 245.521 55.464 o 13 7 10 68.264 -268.042 192.241 91.088 o 13 7 11 910.910 1184.060 313.648 34.005 o 13 7 12 937.721 783.846 373.637 24.030 o 13 7 13 600.365 734.146 339.777 29.095 o 13 8 0 3368.140 3566.400 281.238 38.966 o 13 8 1 367.829 583.183 193.298 89.810 o 13 8 2 1300.790 1561.460 246.746 54.231 o 13 8 3 1159.270 1343.360 235.428 59.743 o 13 8 4 444.283 382.285 120.678 229.410 o 13 8 5 315.457 402.639 139.327 172.765 o 13 8 6 662.863 1002.230 254.078 51.848 o 13 8 7 1582.410 1354.280 297.226 37.510 o 13 8 8 19.561 -139.162 204.689 80.349 o 13 8 9 892.773 585.391 246.817 54.913 o 13 8 10 919.653 493.739 295.023 38.512 o 13 8 11 883.209 946.074 338.180 29.306 o 13 8 12 643.254 968.146 385.093 22.647 o 13 9 0 25.913 106.438 128.848 202.755 o 13 9 1 518.927 510.514 150.689 147.186 o 13 9 2 900.289 1053.780 335.482 29.763 o 13 9 3 848.961 588.297 233.371 61.407 o 13 9 4 1231.630 1415.590 270.988 45.206 o 13 9 5 184.815 267.660 155.877 138.391 o 13 9 6 402.576 475.168 460.751 15.849 o 13 9 7 15.683 -387.502 164.536 124.350 o 13 9 8 345.663 470.299 239.858 58.420 o 13 9 9 16.444 50.216 258.441 50.401 o 13 9 10 1344.150 1118.720 392.458 21.716 o 13 9 11 493.247 345.326 335.098 29.947 o 13 10 0 1662.820 2412.290 438.591 17.297 o 13 10 1 84.183 178.759 189.269 93.953 o 13 10 2 570.132 419.361 192.062 90.849 o 13 10 3 351.386 86.219 231.678 62.669 o 13 10 4 203.179 172.981 169.785 116.687 o 13 10 5 1002.290 1126.150 185.664 95.787 o 13 10 6 568.923 416.101 316.498 33.551 o 13 10 7 525.332 505.345 382.047 23.038 o 13 10 8 144.092 303.170 292.191 39.420 o 13 10 9 127.478 142.575 356.406 26.500 o 13 11 0 152.982 27.715 183.357 100.109 o 13 11 1 642.117 927.220 301.807 36.822 o 13 11 2 855.424 819.826 296.844 38.014 o 13 11 3 11.927 -233.659 229.506 63.912 o 13 11 4 1041.160 1481.520 492.320 13.839 o 13 11 5 552.080 299.948 285.993 41.090 o 13 11 6 628.533 465.072 299.517 37.440 o 13 12 0 13.269 -53.512 190.508 92.756 o 13 12 1 76.519 -150.593 312.190 34.540 o 14 0 0 603.538 746.573 371.982 24.283 o 14 0 1 32262.800 31943.200 1419.520 1.268 o 14 0 2 3758.980 3713.490 533.732 11.468 o 14 0 3 8046.260 7468.020 402.574 16.812 o 14 0 4 3746.300 4023.050 311.273 31.756 o 14 0 5 1940.060 1661.290 217.218 68.291 o 14 0 6 4605.390 4235.750 314.950 30.158 o 14 0 7 4437.420 3999.590 298.371 33.523 o 14 0 8 1361.860 1397.280 219.029 68.505 o 14 0 9 3670.070 3006.640 287.084 37.497 o 14 0 10 937.866 731.395 180.108 102.304 o 14 0 11 5620.250 6028.840 417.213 17.302 o 14 0 12 609.762 743.856 287.597 40.571 o 14 0 13 1981.640 2470.440 358.277 25.657 o 14 0 14 472.170 366.511 396.425 21.405 o 14 0 15 3487.330 3399.550 680.040 7.165 o 14 0 16 435.955 -72.503 414.779 19.562 o 14 1 0 6587.710 6276.950 412.259 17.178 o 14 1 1 3651.600 4198.100 350.545 25.508 o 14 1 2 1463.680 1306.690 216.355 70.072 o 14 1 3 502.994 697.016 119.080 234.113 o 14 1 4 687.301 712.920 182.382 100.303 o 14 1 5 302.735 265.863 100.891 329.033 o 14 1 6 1336.470 1403.660 157.415 129.866 o 14 1 7 615.649 760.748 119.129 232.734 o 14 1 8 21.756 -34.173 94.725 375.172 o 14 1 9 645.987 674.219 113.518 255.959 o 14 1 10 99.281 11.849 100.922 330.423 o 14 1 11 593.236 670.238 140.222 169.173 o 14 1 12 23.203 3.761 104.469 308.451 o 14 1 13 563.678 471.285 141.129 167.542 o 14 1 14 652.149 670.429 199.820 83.750 o 14 1 15 330.266 288.297 218.800 70.228 o 14 2 0 4093.400 4052.160 266.980 41.266 o 14 2 1 12874.700 12859.900 462.173 10.650 o 14 2 2 274.481 262.738 104.568 306.605 o 14 2 3 3272.420 3481.550 223.394 59.250 o 14 2 4 1072.690 1396.290 164.583 120.444 o 14 2 5 1863.200 1812.660 169.641 108.989 o 14 2 6 875.024 1149.500 150.910 144.160 o 14 2 7 5880.000 5655.870 278.544 34.197 o 14 2 8 326.874 270.867 103.952 309.848 o 14 2 9 3279.440 2827.040 319.837 31.069 o 14 2 10 1597.870 1638.890 288.906 39.571 o 14 2 11 988.924 967.123 249.142 53.718 o 14 2 12 246.760 202.422 185.341 97.905 o 14 2 13 743.948 675.496 298.364 37.680 o 14 2 14 744.971 764.792 217.467 70.662 o 14 2 15 554.900 503.609 249.564 53.896 o 14 3 0 518.100 615.567 145.156 158.361 o 14 3 1 12437.500 11674.200 746.025 5.192 o 14 3 2 3352.920 3245.890 253.994 47.200 o 14 3 3 2473.200 2314.580 219.097 65.204 o 14 3 4 3606.000 3678.890 284.577 37.766 o 14 3 5 501.101 525.321 135.973 180.514 o 14 3 6 466.645 510.128 103.117 312.389 o 14 3 7 893.740 796.027 126.100 205.771 o 14 3 8 689.338 640.478 199.460 84.025 o 14 3 9 809.490 813.796 218.609 69.847 o 14 3 10 1611.490 1513.710 287.369 40.018 o 14 3 11 602.742 565.159 213.592 73.444 o 14 3 12 207.434 177.663 232.588 62.202 o 14 3 13 1766.510 1874.360 345.915 27.669 o 14 3 14 21.030 69.161 292.272 39.408 o 14 3 15 388.275 43.746 362.415 25.621 o 14 4 0 706.764 894.030 148.165 150.833 o 14 4 1 55.860 57.481 96.288 363.025 o 14 4 2 793.667 728.357 163.606 124.060 o 14 4 3 1274.460 1179.600 182.354 98.408 o 14 4 4 1120.500 1211.390 170.256 112.942 o 14 4 5 387.646 313.067 127.683 205.466 o 14 4 6 2970.190 2639.890 187.808 83.464 o 14 4 7 2586.920 2717.500 355.009 25.833 o 14 4 8 770.104 848.411 189.920 92.327 o 14 4 9 3113.070 3229.030 358.163 25.043 o 14 4 10 322.193 370.046 161.112 129.340 o 14 4 11 576.704 357.129 186.575 96.274 o 14 4 12 553.350 408.249 189.963 92.883 o 14 4 13 396.343 629.339 233.780 61.440 o 14 4 14 344.069 632.865 339.027 29.258 o 14 4 15 214.147 440.790 296.860 38.178 o 14 5 0 975.804 1063.040 164.784 121.188 o 14 5 1 6329.390 6356.630 483.609 13.011 o 14 5 2 44.666 23.124 88.435 430.397 o 14 5 3 4129.690 3887.640 302.204 33.176 o 14 5 4 685.562 776.536 132.185 189.231 o 14 5 5 398.929 439.929 106.677 293.108 o 14 5 6 321.547 295.275 161.915 128.113 o 14 5 7 1139.260 942.686 232.384 61.526 o 14 5 8 0.653 -168.961 123.175 221.882 o 14 5 9 1483.970 1159.350 240.268 57.155 o 14 5 10 82.570 212.685 155.445 139.264 o 14 5 11 1809.180 1988.850 335.113 29.411 o 14 5 12 302.038 361.075 202.552 81.925 o 14 5 13 1736.730 1547.620 338.144 29.002 o 14 5 14 13.454 -604.859 308.238 35.432 o 14 6 0 85.880 -33.169 111.179 272.303 o 14 6 1 554.870 599.942 164.901 122.892 o 14 6 2 307.363 41.892 170.632 115.507 o 14 6 3 54.564 429.312 141.668 167.570 o 14 6 4 396.008 665.464 134.994 183.263 o 14 6 5 3171.830 3093.930 252.933 48.024 o 14 6 6 212.081 637.858 216.190 71.908 o 14 6 7 3643.440 3815.480 418.738 18.314 o 14 6 8 178.571 137.427 218.474 70.504 o 14 6 9 843.249 1334.980 290.456 39.609 o 14 6 10 755.914 138.565 198.485 85.046 o 14 6 11 226.485 205.771 224.977 66.472 o 14 6 12 514.527 405.898 261.068 49.290 o 14 6 13 1525.990 1495.320 371.748 24.112 o 14 7 0 372.556 403.963 135.701 181.915 o 14 7 1 759.344 978.286 176.437 106.672 o 14 7 2 434.309 554.183 145.532 157.910 o 14 7 3 2464.520 2732.960 267.143 44.646 o 14 7 4 266.805 110.766 118.152 240.658 o 14 7 5 1148.010 1195.720 186.133 94.873 o 14 7 6 154.968 13.874 156.209 137.921 o 14 7 7 1086.140 1111.810 299.270 37.279 o 14 7 8 5.022 -113.927 185.236 98.112 o 14 7 9 4132.990 3945.070 592.363 9.321 o 14 7 10 72.263 85.690 214.775 72.974 o 14 7 11 3842.590 3729.170 623.528 8.464 o 14 7 12 237.613 346.589 275.938 44.186 o 14 8 0 704.767 769.571 171.955 112.608 o 14 8 1 669.884 545.217 155.359 138.077 o 14 8 2 420.683 336.777 268.562 46.613 o 14 8 3 1122.770 1216.690 240.024 57.609 o 14 8 4 291.065 384.351 141.649 167.244 o 14 8 5 919.671 903.443 176.768 105.982 o 14 8 6 66.308 -257.504 166.593 121.294 o 14 8 7 149.594 277.298 300.244 37.335 o 14 8 8 292.961 54.518 270.871 45.864 o 14 8 9 611.996 -26.520 231.615 62.633 o 14 8 10 100.765 260.636 398.065 21.243 o 14 8 11 779.917 1051.410 368.724 24.676 o 14 9 0 257.886 313.620 154.200 141.298 o 14 9 1 26.468 283.308 177.244 107.132 o 14 9 2 652.241 798.049 226.604 65.173 o 14 9 3 358.179 276.511 203.074 81.498 o 14 9 4 73.662 268.240 195.284 88.247 o 14 9 5 2521.230 2553.400 259.748 47.125 o 14 9 6 177.437 518.111 221.613 68.473 o 14 9 7 1454.380 1406.520 389.383 22.017 o 14 9 8 617.610 560.893 323.108 32.177 o 14 9 9 798.463 915.653 327.430 31.274 o 14 9 10 300.031 779.374 530.937 11.937 o 14 10 0 144.234 318.686 136.099 181.495 o 14 10 1 447.866 959.240 240.177 58.120 o 14 10 2 383.586 507.861 320.828 32.670 o 14 10 3 691.765 671.784 248.273 54.359 o 14 10 4 95.116 89.662 245.077 56.044 o 14 10 5 451.270 392.726 279.403 43.059 o 14 10 6 62.561 230.657 274.224 44.762 o 14 10 7 193.772 299.245 281.696 42.407 o 14 10 8 507.684 381.478 536.635 11.684 o 14 11 0 175.480 49.633 183.873 99.539 o 14 11 1 170.004 629.659 262.538 48.795 o 14 11 2 136.155 -254.034 213.512 73.838 o 14 11 3 525.539 455.601 300.766 37.151 o 14 11 4 117.845 7.607 258.726 50.288 o 14 11 5 742.267 931.820 322.267 32.289 o 15 1 0 4871.190 4759.210 398.279 19.450 o 15 1 1 10180.600 9540.210 516.795 10.246 o 15 1 2 2691.000 2954.770 285.628 38.980 o 15 1 3 7170.060 7133.190 345.718 22.261 o 15 1 4 1817.230 1813.180 182.008 95.726 o 15 1 5 6920.690 6763.790 309.497 26.935 o 15 1 6 3683.010 3325.400 205.062 67.450 o 15 1 7 2729.620 2988.050 197.849 76.422 o 15 1 8 348.774 365.592 94.403 374.478 o 15 1 9 290.618 410.108 118.184 239.860 o 15 1 10 1407.190 1287.940 167.406 115.361 o 15 1 12 541.960 591.900 145.694 157.163 o 15 1 13 360.052 435.905 140.399 169.990 o 15 1 14 592.347 807.253 270.723 45.762 o 15 1 15 2133.840 1774.320 367.086 24.526 o 15 2 0 393.298 420.847 125.785 211.429 o 15 2 1 1461.670 1696.130 165.236 117.011 o 15 2 2 1816.410 1744.520 275.079 43.350 o 15 2 3 3201.630 2995.540 217.874 62.873 o 15 2 4 2549.180 2433.370 190.454 83.798 o 15 2 5 2510.130 2446.700 197.969 78.243 o 15 2 6 2112.470 2359.240 241.658 54.846 o 15 2 7 290.520 244.150 119.418 235.291 o 15 2 8 2654.230 3020.700 233.880 56.607 o 15 2 9 377.698 317.359 136.434 180.087 o 15 2 10 1026.050 836.134 231.316 62.248 o 15 2 11 160.224 130.777 387.989 22.361 o 15 2 12 891.620 488.033 333.223 30.221 o 15 2 13 771.896 827.317 250.681 53.243 o 15 2 14 120.166 140.974 309.106 35.230 o 15 2 15 597.873 275.854 249.455 53.969 o 15 3 0 1003.240 808.198 155.988 135.322 o 15 3 1 2792.430 2772.180 253.946 48.584 o 15 3 2 239.208 262.262 84.238 471.902 o 15 3 3 1894.940 1863.470 198.425 80.982 o 15 3 4 558.006 607.267 117.661 239.633 o 15 3 5 1291.560 1458.080 160.710 124.911 o 15 3 6 2094.340 2064.450 226.593 62.303 o 15 3 7 1764.790 2062.720 182.364 95.078 o 15 3 8 329.418 516.860 186.452 96.572 o 15 3 9 1545.900 1746.270 455.968 16.068 o 15 3 10 285.201 337.762 201.584 82.728 o 15 3 11 239.393 -72.497 169.169 117.568 o 15 3 12 29.351 -67.203 190.978 92.300 o 15 3 13 259.195 117.900 267.106 47.166 o 15 3 14 108.897 -39.555 202.394 82.175 o 15 4 0 1185.560 1257.810 219.729 68.442 o 15 4 1 3295.790 3258.390 292.733 36.447 o 15 4 2 910.141 862.599 161.378 126.855 o 15 4 3 7146.070 6691.380 377.130 19.515 o 15 4 4 1183.950 1255.590 163.867 121.290 o 15 4 5 3187.220 2992.150 208.926 67.759 o 15 4 6 5977.840 5700.800 274.456 34.791 o 15 4 7 374.288 282.003 124.445 216.357 o 15 4 8 1669.640 1896.860 309.152 34.542 o 15 4 9 221.779 357.991 169.664 116.768 o 15 4 10 822.913 418.101 312.929 34.275 o 15 4 11 461.360 375.964 262.336 48.834 o 15 4 12 501.476 128.628 174.658 110.038 o 15 4 13 1007.410 749.212 289.918 39.803 o 15 4 14 740.996 432.000 261.114 49.194 o 15 5 0 28.096 28.189 84.569 470.673 o 15 5 1 98.843 75.994 99.952 336.790 o 15 5 2 378.341 256.048 131.035 195.260 o 15 5 3 1326.550 1696.430 200.668 80.985 o 15 5 4 306.127 543.345 112.736 262.979 o 15 5 5 968.316 1196.510 151.262 142.916 o 15 5 6 377.972 354.808 113.564 259.321 o 15 5 7 1702.140 1539.170 288.914 39.535 o 15 5 8 276.456 133.644 284.162 41.674 o 15 5 9 1219.030 1270.080 287.011 40.403 o 15 5 10 22.384 146.782 192.130 91.191 o 15 5 11 1899.630 1475.640 377.375 23.325 o 15 5 12 69.310 -243.312 189.009 94.230 o 15 5 13 555.132 258.345 282.850 42.011 o 15 6 0 8.987 65.463 74.423 607.743 o 15 6 1 521.299 704.821 293.677 38.938 o 15 6 2 486.939 526.048 167.059 119.958 o 15 6 3 530.873 612.836 134.003 185.483 o 15 6 4 15.716 89.725 108.805 284.335 o 15 6 5 1092.950 1368.020 179.180 102.093 o 15 6 6 1521.260 1811.720 411.333 19.708 o 15 6 7 733.585 761.168 287.366 40.598 o 15 6 8 159.220 273.054 212.492 74.517 o 15 6 9 417.987 529.546 226.801 65.283 o 15 6 10 245.766 306.605 247.149 55.073 o 15 6 11 1399.040 1913.380 452.658 16.308 o 15 6 12 192.257 420.191 280.463 42.773 o 15 6 13 1724.650 1548.620 525.592 12.111 o 15 7 0 97.945 338.612 99.423 339.883 o 15 7 1 1566.850 1575.310 300.265 36.718 o 15 7 2 600.167 413.041 202.132 82.035 o 15 7 3 669.313 582.526 407.202 20.271 o 15 7 4 849.887 731.945 185.518 96.671 o 15 7 5 155.971 187.590 122.316 224.753 o 15 7 6 1165.460 757.059 372.680 24.124 o 15 7 7 291.616 479.517 184.927 98.216 o 15 7 8 438.095 606.038 258.944 50.093 o 15 7 9 988.721 818.289 348.498 27.596 o 15 7 10 294.646 108.314 242.096 57.405 o 15 7 11 879.888 824.949 346.790 27.886 o 15 7 12 620.219 598.059 317.909 33.233 o 15 8 0 527.917 512.744 167.441 119.353 o 15 8 1 774.412 1010.680 219.628 69.144 o 15 8 2 338.309 423.160 172.728 112.522 o 15 8 3 344.900 475.285 213.747 73.533 o 15 8 4 319.633 290.679 141.424 167.817 o 15 8 5 2559.330 2529.230 287.709 38.784 o 15 8 6 285.982 51.968 257.187 50.874 o 15 8 7 2687.960 1925.460 422.153 18.509 o 15 8 8 189.027 230.307 237.272 59.770 o 15 8 9 3470.740 3207.160 565.926 10.284 o 15 8 10 72.217 -92.934 229.580 63.869 o 15 9 0 222.771 507.642 161.700 128.444 o 15 9 1 38.695 132.584 131.472 194.727 o 15 9 2 929.688 763.554 273.095 44.853 o 15 9 3 13.338 -475.685 437.639 17.577 o 15 9 4 1488.070 1949.860 356.804 26.101 o 15 9 5 178.085 281.266 235.710 60.561 o 15 9 6 545.586 432.199 267.880 46.809 o 15 9 7 199.598 26.078 274.918 44.534 o 15 9 8 655.190 -65.584 310.926 34.780 o 15 9 9 537.363 206.680 259.086 50.067 o 15 10 0 410.468 281.732 204.663 80.209 o 15 10 1 51.827 97.237 163.591 125.778 o 15 10 2 501.671 578.966 261.645 49.051 o 15 10 3 992.478 552.954 407.763 20.193 o 15 10 4 490.500 380.348 235.653 60.482 o 15 10 5 911.611 829.263 324.022 31.917 o 15 10 6 273.018 403.216 337.829 29.481 o 15 11 0 3.156 53.512 160.872 130.078 o 15 11 1 42.924 194.931 215.036 72.794 o 15 11 2 327.071 332.203 229.426 63.875 o 15 11 3 494.625 566.874 305.940 35.903 o 16 0 0 7021.920 6548.650 939.956 3.689 o 16 0 1 7884.230 7684.880 664.138 7.029 o 16 0 2 488.996 629.088 370.569 24.483 o 16 0 3 12116.200 12691.000 818.578 4.407 o 16 0 4 1951.700 2167.850 250.122 51.715 o 16 0 5 9899.090 9379.540 512.014 10.497 o 16 0 6 2571.520 2330.120 260.316 47.014 o 16 0 7 422.699 560.039 451.335 16.515 o 16 0 8 907.854 666.573 202.053 81.612 o 16 0 9 1998.040 2119.950 334.520 29.407 o 16 0 10 562.758 810.827 239.991 58.189 o 16 0 11 1172.420 1153.100 292.705 38.910 o 16 0 12 1555.960 1725.500 323.606 31.660 o 16 0 13 534.696 360.077 227.898 64.642 o 16 0 14 473.333 876.955 227.206 64.925 o 16 1 0 11.637 70.967 99.765 338.207 o 16 1 1 1952.580 2156.530 294.943 37.606 o 16 1 2 439.492 601.759 179.552 103.935 o 16 1 3 2228.880 2278.140 210.247 71.137 o 16 1 4 838.671 758.574 169.450 115.600 o 16 1 5 1787.150 1930.240 184.752 92.953 o 16 1 6 854.893 990.883 194.519 87.807 o 16 1 7 54.813 123.021 120.744 230.847 o 16 1 8 176.435 203.553 134.342 186.310 o 16 1 9 530.290 614.299 147.327 153.731 o 16 1 10 56.935 183.359 100.631 332.235 o 16 1 11 51.896 -71.560 141.830 167.347 o 16 1 12 178.530 362.876 149.854 149.673 o 16 1 13 103.558 104.864 171.287 114.715 o 16 1 14 207.882 59.059 231.866 62.599 o 16 2 0 5912.720 5491.530 315.873 27.961 o 16 2 1 4160.030 4220.760 274.289 39.123 o 16 2 2 403.781 468.661 150.699 147.506 o 16 2 3 6133.140 6484.520 341.774 23.878 o 16 2 4 675.208 640.064 135.103 181.722 o 16 2 5 6954.160 7316.130 337.321 23.255 o 16 2 6 774.520 634.616 162.273 126.271 o 16 2 7 900.561 896.419 151.666 143.234 o 16 2 8 172.955 13.851 167.863 119.433 o 16 2 9 27.563 67.991 98.847 344.509 o 16 2 10 395.225 758.932 166.856 120.204 o 16 2 11 285.038 249.963 183.059 100.320 o 16 2 12 783.648 669.067 320.236 32.717 o 16 2 13 798.736 894.261 255.183 51.360 o 16 2 14 326.359 733.413 536.953 11.671 o 16 3 0 37.226 -41.458 71.270 662.714 o 16 3 1 1983.390 2081.240 228.378 61.575 o 16 3 2 32.382 46.679 95.552 368.681 o 16 3 3 5616.090 5115.530 336.802 25.540 o 16 3 4 448.004 435.319 123.251 219.844 o 16 3 5 5118.680 5103.010 304.985 30.829 o 16 3 6 2759.350 3051.280 216.916 64.611 o 16 3 7 1431.230 1780.170 237.292 58.253 o 16 3 8 914.265 696.628 208.866 76.400 o 16 3 9 753.113 735.191 272.894 44.996 o 16 3 10 176.305 297.481 178.298 105.799 o 16 3 11 1046.830 1139.840 305.856 35.712 o 16 3 12 712.780 643.116 243.594 56.453 o 16 3 13 325.244 540.956 241.713 57.524 o 16 3 14 948.855 1030.960 564.131 10.559 o 16 4 0 25.174 129.641 111.858 269.004 o 16 4 1 204.537 350.707 166.533 121.212 o 16 4 2 289.334 204.145 122.881 222.326 o 16 4 3 793.196 1008.750 157.738 132.827 o 16 4 4 355.337 351.493 153.276 142.821 o 16 4 5 1098.860 1402.240 165.383 119.197 o 16 4 6 320.368 468.662 107.841 287.377 o 16 4 7 1709.620 1519.630 248.466 53.088 o 16 4 8 663.728 963.104 310.473 34.794 o 16 4 9 1470.290 1648.720 312.100 34.054 o 16 4 10 1.567 -258.255 165.718 122.583 o 16 4 11 727.286 1064.440 300.708 37.050 o 16 4 12 360.258 347.479 222.127 68.121 o 16 4 13 481.937 471.187 269.775 46.166 o 16 5 0 123.156 28.019 181.753 101.891 o 16 5 1 661.894 618.040 179.762 103.349 o 16 5 2 434.901 678.686 166.440 120.802 o 16 5 3 3402.910 3330.740 282.766 38.685 o 16 5 4 349.912 244.413 114.145 257.167 o 16 5 5 4554.170 4560.130 274.252 38.229 o 16 5 6 2197.950 2137.450 194.721 82.407 o 16 5 7 2955.340 3121.000 466.127 15.104 o 16 5 8 972.812 917.644 218.986 69.385 o 16 5 9 612.686 361.591 223.745 67.014 o 16 5 10 298.512 322.213 266.364 47.409 o 16 5 11 42.734 -277.775 188.943 94.297 o 16 5 12 114.584 1230.780 1077.900 2.897 o 16 5 13 802.357 926.842 312.274 34.367 o 16 6 0 1938.640 2013.550 232.836 59.479 o 16 6 1 1017.210 1192.880 362.744 25.445 o 16 6 2 850.904 556.664 189.522 92.818 o 16 6 3 3689.330 3785.060 431.973 17.249 o 16 6 4 134.109 170.059 107.456 291.211 o 16 6 5 1543.420 1566.460 264.062 47.270 o 16 6 6 296.552 747.280 216.836 71.411 o 16 6 7 15.273 -246.456 156.651 137.183 o 16 6 8 547.878 114.449 226.756 65.343 o 16 6 9 795.813 1071.270 325.232 31.680 o 16 6 10 1040.420 1050.290 337.917 29.308 o 16 6 11 1167.330 1666.640 403.389 20.549 o 16 6 12 756.506 299.483 301.430 36.959 o 16 7 0 2456.370 2607.600 317.417 32.171 o 16 7 1 468.021 405.237 272.411 45.290 o 16 7 2 1169.550 1396.930 292.711 38.856 o 16 7 3 85.527 79.641 142.439 165.889 o 16 7 4 467.194 349.196 202.106 82.188 o 16 7 5 1592.490 1618.890 199.476 81.359 o 16 7 6 322.095 525.197 293.969 38.913 o 16 7 7 1658.150 2054.530 411.586 19.642 o 16 7 8 79.679 134.544 200.976 83.333 o 16 7 9 1651.910 1451.250 370.363 24.267 o 16 7 10 411.041 724.627 279.601 42.971 o 16 7 11 1660.660 1618.110 374.268 23.748 o 16 8 0 3.262 -18.994 117.424 244.151 o 16 8 1 560.956 216.706 195.021 88.228 o 16 8 2 32.227 104.175 126.617 209.960 o 16 8 3 730.791 733.300 251.235 53.056 o 16 8 4 305.352 368.113 158.614 133.459 o 16 8 5 2098.260 2435.230 317.454 32.431 o 16 8 6 110.465 218.932 312.687 34.426 o 16 8 7 894.589 658.251 259.262 49.778 o 16 8 8 163.846 498.856 249.911 53.861 o 16 8 9 41.838 399.769 259.131 50.122 o 16 9 0 957.741 1242.900 396.318 21.340 o 16 9 1 206.460 447.709 203.538 81.160 o 16 9 2 802.029 1127.710 280.176 42.607 o 16 9 3 431.639 663.293 237.964 59.282 o 16 9 4 237.324 204.166 211.108 75.483 o 16 9 5 579.138 464.074 283.313 41.846 o 16 9 6 964.530 1113.770 369.259 24.575 o 16 9 7 1176.410 1069.630 356.316 26.348 o 16 9 8 617.665 837.148 416.280 19.394 o 16 10 0 304.218 586.893 192.904 90.228 o 16 10 1 34.011 118.183 187.783 95.461 o 16 10 2 337.580 401.136 326.526 31.551 o 16 10 3 370.830 746.727 261.430 49.147 o 16 10 4 569.163 486.207 360.662 25.844 o 16 10 5 704.343 1338.040 321.488 32.409 o 17 1 0 1293.530 1933.470 436.492 17.540 o 17 1 1 662.190 811.227 197.427 85.680 o 17 1 2 3153.810 3394.350 352.898 25.696 o 17 1 3 4784.100 4729.040 338.109 26.224 o 17 1 4 6691.080 6665.800 352.460 22.167 o 17 1 5 4847.270 4867.650 294.023 33.321 o 17 1 6 1365.180 1390.490 215.054 70.998 o 17 1 7 4006.750 4149.560 276.406 38.886 o 17 1 8 3901.420 3946.370 308.805 32.106 o 17 1 9 1097.140 972.155 167.175 117.556 o 17 1 10 5057.000 4779.130 318.068 28.917 o 17 1 11 461.197 409.764 154.415 140.467 o 17 1 12 2485.880 2954.460 276.302 41.735 o 17 1 13 1103.730 1321.210 302.648 36.413 o 17 2 0 950.266 853.202 159.703 129.346 o 17 2 1 174.812 409.229 132.047 192.633 o 17 2 2 1992.140 2206.910 246.810 52.972 o 17 2 3 1230.210 1453.970 186.438 94.001 o 17 2 4 2919.270 3067.920 230.671 57.385 o 17 2 5 737.541 1091.460 235.829 60.042 o 17 2 6 1881.040 1659.330 182.406 95.386 o 17 2 7 1025.110 621.262 186.991 94.945 o 17 2 8 79.121 209.699 115.086 253.991 o 17 2 9 254.429 28.964 234.446 61.225 o 17 2 10 996.035 1248.230 232.266 61.578 o 17 2 11 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201.569 80.852 o 17 4 8 1953.280 1828.860 311.622 33.878 o 17 4 9 1150.120 1102.290 366.346 24.936 o 17 4 10 2913.890 2504.610 351.177 26.280 o 17 4 11 45.566 174.111 187.524 95.719 o 17 4 12 1308.170 1245.430 350.532 27.171 o 17 5 0 1534.150 1474.540 262.917 47.721 o 17 5 1 967.202 1225.910 243.256 56.238 o 17 5 2 3019.770 3218.250 373.793 23.119 o 17 5 3 47.584 7.084 103.874 311.980 o 17 5 4 2946.720 3234.900 247.680 50.189 o 17 5 5 372.027 528.387 145.917 157.288 o 17 5 6 509.022 633.082 136.063 180.017 o 17 5 7 165.569 184.931 159.903 131.566 o 17 5 8 594.527 272.708 212.372 74.398 o 17 5 9 189.608 -105.442 152.173 145.314 o 17 5 10 911.768 1016.250 318.613 32.982 o 17 5 11 278.772 624.186 252.529 52.710 o 17 5 12 958.229 716.826 292.544 39.118 o 17 6 0 1548.600 2211.410 350.457 26.984 o 17 6 1 1342.220 1261.350 261.360 48.522 o 17 6 2 947.592 946.461 241.103 57.363 o 17 6 3 1605.350 1862.530 284.714 40.642 o 17 6 4 231.446 57.931 116.287 248.603 o 17 6 5 2866.120 2857.460 255.397 47.886 o 17 6 6 909.718 1123.470 274.971 44.176 o 17 6 7 1963.410 1692.470 385.127 22.369 o 17 6 8 1671.350 1751.590 386.854 22.229 o 17 6 9 818.392 792.329 315.314 33.722 o 17 6 10 764.717 1042.200 325.888 31.563 o 17 6 11 10.335 -615.934 231.716 62.698 o 17 7 0 22.302 -123.484 100.719 331.851 o 17 7 1 161.715 120.200 145.775 158.317 o 17 7 2 863.001 880.709 239.186 58.367 o 17 7 3 195.015 50.715 152.683 144.324 o 17 7 4 996.516 959.352 216.965 70.615 o 17 7 5 907.910 770.632 155.283 136.998 o 17 7 6 296.970 -82.384 195.797 87.757 o 17 7 7 610.364 312.470 289.179 40.179 o 17 7 8 839.272 745.183 399.563 21.033 o 17 7 9 320.457 -70.181 246.148 55.536 o 17 7 10 1730.530 1260.340 362.192 25.366 o 17 8 0 3136.270 2700.930 336.242 28.386 o 17 8 1 75.161 20.827 183.296 100.193 o 17 8 2 2197.660 1761.050 354.469 26.248 o 17 8 3 966.514 929.746 295.130 38.401 o 17 8 4 1089.800 950.256 283.204 41.624 o 17 8 5 201.873 287.197 237.560 59.617 o 17 8 6 1835.110 1146.050 332.765 29.970 o 17 8 7 529.498 433.029 267.616 46.905 o 17 8 8 665.539 373.252 289.125 40.175 o 17 9 0 2188.350 2612.240 329.561 30.066 o 17 9 1 104.522 216.657 181.166 102.530 o 17 9 2 1029.310 887.923 296.317 38.081 o 17 9 3 925.364 469.796 267.536 46.791 o 17 9 4 225.257 317.791 246.906 55.184 o 17 9 5 810.784 374.060 373.329 24.106 o 17 9 6 423.768 596.375 276.015 44.105 o 17 10 0 0.348 190.821 240.244 58.324 o 17 10 1 517.479 477.255 253.335 52.326 o 17 10 2 405.706 570.096 335.854 29.810 o 18 0 0 7447.540 7244.220 696.894 6.482 o 18 0 1 1878.520 2233.680 458.645 15.818 o 18 0 2 6611.200 6259.120 602.919 8.641 o 18 0 3 962.168 1561.270 361.358 25.617 o 18 0 4 4562.310 4927.680 522.549 11.745 o 18 0 5 3059.900 2796.200 320.160 31.180 o 18 0 6 782.692 898.233 225.850 65.462 o 18 0 7 2496.810 2334.820 335.533 28.952 o 18 0 8 2571.290 2892.930 553.706 10.823 o 18 0 9 1642.870 1622.260 320.424 32.268 o 18 0 10 4298.120 3784.310 440.448 16.459 o 18 0 11 4034.950 3919.100 667.410 7.394 o 18 0 12 1376.210 1688.810 724.289 6.401 o 18 0 13 847.203 366.895 485.251 14.279 o 18 1 0 418.595 169.048 230.770 63.131 o 18 1 1 985.827 1120.590 217.399 70.251 o 18 1 2 1104.300 1263.680 245.574 55.065 o 18 1 3 437.449 396.253 171.617 113.872 o 18 1 4 593.693 835.609 182.720 99.989 o 18 1 5 249.585 372.376 138.848 174.147 o 18 1 6 551.982 345.887 155.185 138.954 o 18 1 7 211.485 349.737 131.577 193.992 o 18 1 8 159.389 68.408 106.335 297.456 o 18 1 9 349.274 540.634 167.903 118.968 o 18 1 10 577.212 883.356 183.697 98.925 o 18 1 11 595.590 662.848 180.329 102.776 o 18 1 12 79.584 -162.554 150.091 149.426 o 18 1 13 93.220 193.321 235.050 60.921 o 18 2 0 3615.640 3635.570 423.975 17.919 o 18 2 1 107.380 10.262 120.452 231.971 o 18 2 2 1391.210 1591.700 204.763 77.849 o 18 2 3 541.365 525.954 186.182 96.621 o 18 2 4 1244.100 1444.250 190.515 90.110 o 18 2 5 487.614 487.291 133.701 186.786 o 18 2 6 51.244 49.395 139.818 172.189 o 18 2 7 376.673 422.774 140.589 169.506 o 18 2 8 2643.560 2572.790 265.149 45.156 o 18 2 9 1521.460 1621.570 203.881 78.174 o 18 2 10 2983.250 2461.760 297.175 36.121 o 18 2 11 3236.330 2726.710 415.376 18.875 o 18 2 12 1609.220 2072.590 338.056 28.969 o 18 3 0 1583.360 1732.060 195.414 84.506 o 18 3 1 779.661 908.207 155.288 137.220 o 18 3 2 1833.350 2313.160 310.253 34.102 o 18 3 3 833.490 824.492 165.324 121.275 o 18 3 4 1197.490 1349.810 197.950 83.850 o 18 3 5 547.256 729.487 205.664 79.161 o 18 3 6 20.727 16.309 202.751 81.892 o 18 3 7 1374.050 1418.540 195.831 85.132 o 18 3 8 650.460 628.734 133.224 186.976 o 18 3 9 2424.830 2203.700 343.253 27.766 o 18 3 10 2319.660 2480.940 389.361 21.707 o 18 3 11 2104.820 1721.110 357.419 25.862 o 18 3 12 2056.710 2170.340 391.215 21.612 o 18 4 0 754.935 775.779 159.158 131.038 o 18 4 1 570.890 493.483 157.223 135.182 o 18 4 2 1048.350 995.018 195.173 86.876 o 18 4 3 1572.780 1887.880 225.559 63.977 o 18 4 4 184.465 301.598 129.152 201.449 o 18 4 5 418.488 572.034 137.756 176.132 o 18 4 6 266.843 314.157 154.251 141.192 o 18 4 7 265.452 76.264 149.026 151.408 o 18 4 8 78.695 -210.262 229.629 63.841 o 18 4 9 86.971 -168.807 159.448 132.402 o 18 4 10 52.691 -20.288 181.476 102.216 o 18 4 11 60.909 148.642 263.434 48.506 o 18 5 0 23.544 -33.102 110.132 277.549 o 18 5 1 1835.060 1910.400 346.485 27.550 o 18 5 2 2851.020 3045.970 427.174 17.931 o 18 5 3 1529.050 1467.280 244.426 55.050 o 18 5 4 1574.460 1796.530 305.985 35.322 o 18 5 5 61.368 -93.844 117.544 243.633 o 18 5 6 174.928 115.761 110.235 276.692 o 18 5 7 695.149 557.165 223.471 67.060 o 18 5 8 1323.210 830.183 361.850 25.549 o 18 5 9 1061.160 839.819 290.785 39.531 o 18 5 10 2443.460 2159.300 394.379 21.179 o 18 5 11 1101.040 608.377 324.238 31.857 o 18 6 0 601.662 397.258 195.965 87.262 o 18 6 1 239.035 677.153 308.980 35.228 o 18 6 2 2180.500 2039.690 355.726 26.024 o 18 6 3 1610.960 1370.800 254.447 50.857 o 18 6 4 1809.390 1998.810 288.093 39.527 o 18 6 5 779.347 843.822 177.757 105.220 o 18 6 6 464.875 134.256 151.673 145.843 o 18 6 7 95.482 25.935 179.951 103.948 o 18 6 8 501.440 484.322 267.429 46.971 o 18 6 9 653.488 629.439 260.453 49.438 o 18 6 10 941.060 722.141 356.096 26.451 o 18 7 0 1999.100 1737.060 327.404 30.756 o 18 7 1 1010.160 863.819 254.027 51.710 o 18 7 2 1285.480 887.788 285.877 40.781 o 18 7 3 1474.570 1350.100 266.367 46.612 o 18 7 4 246.822 51.534 232.839 62.072 o 18 7 5 387.631 516.445 152.821 143.442 o 18 7 6 702.821 645.595 255.659 51.278 o 18 7 7 168.871 644.432 328.170 31.239 o 18 7 8 808.324 754.285 322.953 32.158 o 18 8 0 554.267 732.637 214.704 72.661 o 18 8 1 656.204 955.562 212.505 73.968 o 18 8 2 796.065 894.865 244.361 55.979 o 18 8 3 584.392 588.476 228.965 63.955 o 18 8 4 549.978 514.252 176.033 108.013 o 18 8 5 225.078 269.588 182.559 100.901 o 18 8 6 814.037 675.378 531.672 11.894 o 18 8 7 320.519 525.567 269.514 46.286 o 18 9 0 738.195 559.484 263.772 48.188 o 18 9 1 631.570 316.393 261.663 49.045 o 18 9 2 1229.510 1228.480 336.720 29.449 o 18 9 3 916.488 795.843 408.222 20.144 o 18 9 4 2105.530 1949.930 431.036 17.868 o 19 1 0 23.302 -45.022 200.160 84.026 o 19 1 1 1262.730 1634.330 346.214 27.809 o 19 1 2 409.091 521.921 140.837 168.672 o 19 1 3 1165.470 1407.520 265.424 47.142 o 19 1 4 298.087 465.279 145.868 157.642 o 19 1 5 1288.550 1442.730 278.799 42.699 o 19 1 6 1540.480 1936.950 271.005 44.781 o 19 1 7 579.149 585.860 152.528 143.412 o 19 1 8 489.182 605.476 208.993 76.771 o 19 1 9 4854.450 4781.070 345.376 25.175 o 19 1 10 743.737 713.096 300.746 37.083 o 19 1 11 4915.870 5241.990 613.195 8.596 o 19 1 12 189.314 355.658 174.752 110.102 o 19 2 0 219.162 1240.300 413.289 19.686 o 19 2 1 821.528 698.250 269.475 46.119 o 19 2 2 500.753 396.353 153.550 141.971 o 19 2 3 1292.530 1586.140 219.727 68.041 o 19 2 4 270.933 152.658 120.765 230.302 o 19 2 5 631.451 821.077 160.872 128.596 o 19 2 6 274.756 437.835 115.903 249.357 o 19 2 7 381.901 501.062 154.828 139.791 o 19 2 8 183.102 -135.514 177.628 106.665 o 19 2 9 2957.750 2793.110 271.166 42.751 o 19 2 10 125.452 15.304 173.912 111.286 o 19 2 11 3469.060 3061.980 416.827 18.638 o 19 3 0 282.091 380.482 116.586 246.558 o 19 3 1 1217.220 1462.160 211.731 73.384 o 19 3 2 803.173 948.012 221.319 68.104 o 19 3 3 2079.410 1879.760 265.722 46.042 o 19 3 4 424.832 305.145 128.931 201.402 o 19 3 5 495.665 728.781 163.667 124.727 o 19 3 6 400.806 508.916 151.594 145.740 o 19 3 7 397.962 354.342 117.523 242.143 o 19 3 8 365.057 75.909 198.721 85.151 o 19 3 9 827.584 1093.330 223.334 66.797 o 19 3 10 688.714 838.652 265.098 47.673 o 19 3 11 1373.900 875.768 418.177 19.152 o 19 4 0 1.429 -143.976 88.599 428.858 o 19 4 1 1732.270 1666.300 257.198 49.535 o 19 4 2 241.897 191.880 131.976 192.930 o 19 4 3 5021.990 4682.930 411.108 18.303 o 19 4 4 70.902 47.711 142.747 165.189 o 19 4 5 778.026 852.916 186.004 96.193 o 19 4 6 749.318 788.992 235.084 60.521 o 19 4 7 322.760 223.787 158.649 133.475 o 19 4 8 963.667 967.113 278.024 43.229 o 19 4 9 3388.690 4375.660 834.205 4.779 o 19 4 10 491.992 819.871 289.552 40.046 o 19 5 0 595.822 827.369 214.544 72.694 o 19 5 1 978.656 1124.610 235.092 60.200 o 19 5 2 327.516 103.554 134.482 185.735 o 19 5 3 3328.200 3966.250 417.949 18.452 o 19 5 4 112.844 359.797 137.183 178.660 o 19 5 5 1127.160 1256.510 215.049 71.484 o 19 5 6 177.531 165.057 150.419 148.665 o 19 5 7 40.586 -234.655 222.788 67.824 o 19 5 8 5.466 -396.766 265.236 47.853 o 19 5 9 759.009 728.279 323.536 32.054 o 19 5 10 152.583 666.071 284.857 41.454 o 19 6 0 168.813 257.417 155.162 139.687 o 19 6 1 2195.640 2849.080 370.431 23.905 o 19 6 2 407.529 666.749 166.925 120.165 o 19 6 3 722.987 817.034 210.485 75.385 o 19 6 4 332.326 383.631 170.429 115.599 o 19 6 5 140.316 66.027 129.406 200.932 o 19 6 6 456.676 635.683 201.020 82.970 o 19 6 7 214.596 169.882 213.559 73.773 o 19 6 8 309.365 38.002 208.072 77.704 o 19 7 0 100.219 88.862 221.613 68.537 o 19 7 1 631.397 936.204 276.332 43.895 o 19 7 2 56.078 -264.632 217.949 70.868 o 19 7 3 2126.590 2282.760 394.696 21.210 o 19 7 4 198.187 419.986 204.032 80.778 o 19 7 5 848.949 1198.800 300.093 37.144 o 19 7 6 66.263 319.046 175.446 109.316 o 19 7 7 202.436 163.336 295.350 38.582 o 19 8 0 484.214 412.994 337.967 29.439 o 19 8 1 2163.020 1972.640 337.337 28.890 o 19 8 2 398.744 456.529 226.292 65.602 o 19 8 3 1284.890 1673.810 371.922 24.121 o 19 8 4 365.463 444.083 255.209 51.611 o 19 8 5 1240.270 1261.650 250.833 52.699 o 20 0 0 39.615 -109.245 168.115 119.111 o 20 0 1 558.765 633.822 261.735 48.990 o 20 0 2 4173.130 4820.970 593.537 9.243 o 20 0 3 1541.640 1882.000 449.772 16.503 o 20 0 4 4858.490 5929.460 635.850 7.994 o 20 0 5 3115.780 2852.790 440.139 16.883 o 20 0 6 3277.060 2897.350 559.604 10.543 o 20 0 7 1938.110 1868.200 480.033 14.467 o 20 0 8 626.378 533.318 207.112 78.081 o 20 0 9 2302.860 2854.520 405.566 20.001 o 20 0 10 105.063 225.160 209.567 76.629 o 20 0 11 1152.250 1033.000 429.801 18.148 o 20 1 0 155.908 707.077 177.757 106.300 o 20 1 1 218.859 204.198 239.677 58.574 o 20 1 2 1091.290 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34.867 o 20 3 5 533.759 590.108 156.515 136.370 o 20 3 6 601.927 714.057 178.891 104.369 o 20 3 7 1877.320 2006.840 253.409 50.624 o 20 3 8 39.855 184.714 172.737 112.805 o 20 3 9 1975.370 2407.310 391.005 21.626 o 20 3 10 645.643 1393.560 336.037 29.682 o 20 4 0 83.565 282.228 223.707 67.249 o 20 4 1 1248.470 1164.640 201.925 80.739 o 20 4 2 672.743 558.007 141.116 166.961 o 20 4 3 1874.300 1714.920 243.341 54.947 o 20 4 4 169.475 247.309 162.581 127.245 o 20 4 5 562.477 390.180 177.171 106.710 o 20 4 6 547.977 460.293 168.634 117.691 o 20 4 7 198.623 44.288 152.048 145.532 o 20 4 8 647.265 1049.530 395.199 21.503 o 20 4 9 17.520 -324.071 186.410 96.879 o 20 5 0 76.828 44.777 108.266 287.136 o 20 5 1 582.653 410.206 159.428 131.563 o 20 5 2 578.850 801.421 171.938 112.866 o 20 5 3 531.480 477.769 167.945 118.667 o 20 5 4 1859.650 2687.140 420.468 18.742 o 20 5 5 102.941 -189.247 128.718 203.149 o 20 5 6 2121.550 1886.270 310.253 34.059 o 20 5 7 574.038 217.871 367.970 24.839 o 20 5 8 931.173 665.288 287.395 40.542 o 20 6 0 333.951 167.639 169.036 117.620 o 20 6 1 683.762 314.782 297.262 38.013 o 20 6 2 590.936 697.023 251.918 52.844 o 20 6 3 437.400 369.169 186.428 96.565 o 20 6 4 718.290 787.887 236.792 59.677 o 20 6 5 526.221 675.699 447.640 16.783 o 20 6 6 246.485 361.951 169.138 117.470 o 20 6 7 346.140 541.473 263.394 48.451 o 20 7 0 65.224 -222.831 159.074 133.031 o 20 7 1 1115.270 1015.950 279.132 42.809 o 20 7 2 98.688 80.321 123.811 219.532 o 20 7 3 1036.790 870.751 220.172 68.602 o 20 7 4 587.100 1224.370 224.018 66.557 o 20 7 5 784.898 1174.630 229.544 63.269 o 20 8 0 85.587 -242.840 293.009 39.210 o 21 1 0 1685.830 1888.070 361.453 25.397 o 21 1 1 1111.280 1198.400 243.044 56.224 o 21 1 2 1243.710 1269.550 247.163 54.245 o 21 1 3 770.989 1171.920 242.818 56.610 o 21 1 4 1388.240 1893.380 295.263 37.962 o 21 1 5 1620.690 1905.400 300.784 36.476 o 21 1 6 1694.650 1460.560 216.263 69.573 o 21 1 7 1960.010 2105.000 244.559 54.031 o 21 1 8 413.064 486.383 141.255 167.723 o 21 1 9 854.764 604.126 236.416 59.836 o 21 2 0 1605.780 1500.520 331.021 30.300 o 21 2 1 834.261 1033.270 259.425 49.650 o 21 2 2 2005.300 2371.930 378.429 23.056 o 21 2 3 775.983 623.387 358.774 26.087 o 21 2 4 1876.170 2601.700 297.785 36.811 o 21 2 5 258.139 533.534 140.437 170.036 o 21 2 6 2121.830 2252.710 264.860 46.082 o 21 2 7 19.995 63.611 147.802 154.098 o 21 2 8 48.896 176.068 140.141 171.366 o 21 2 9 161.078 373.526 183.809 99.542 o 21 3 0 393.314 424.138 206.624 78.665 o 21 3 1 78.250 378.292 160.223 131.034 o 21 3 2 7.994 -84.517 143.724 162.970 o 21 3 3 132.855 455.880 142.256 166.058 o 21 3 4 318.504 573.898 189.535 93.449 o 21 3 5 275.621 264.895 139.479 172.636 o 21 3 6 493.315 838.320 197.753 85.583 o 21 3 7 191.038 133.664 286.393 41.034 o 21 3 8 977.864 1108.490 180.519 101.298 o 21 4 0 2088.050 1624.230 262.507 47.266 o 21 4 1 185.826 35.462 126.816 209.176 o 21 4 2 1517.330 1610.670 260.269 48.631 o 21 4 3 1450.820 1660.180 250.625 52.401 o 21 4 4 2069.090 1767.650 259.038 48.438 o 21 4 5 2163.110 2078.220 295.614 37.319 o 21 4 6 441.879 722.116 182.389 100.662 o 21 4 7 1303.260 1660.250 255.589 50.564 o 21 5 0 56.635 241.082 125.676 213.022 o 21 5 1 737.225 972.540 222.358 67.525 o 21 5 2 374.840 501.631 295.567 38.488 o 21 5 3 88.731 232.279 478.641 14.694 o 21 5 4 645.430 872.944 190.006 92.423 o 21 5 5 74.593 185.576 257.754 50.665 o 21 5 6 123.565 222.170 176.951 107.461 o 21 6 0 641.969 507.773 177.196 106.468 o 21 6 1 129.670 380.046 157.250 135.987 o 21 6 2 631.505 851.265 188.277 94.151 o 21 6 3 774.866 1109.910 235.372 60.237 o 21 6 4 599.008 657.205 216.207 71.653 o 21 6 5 1934.430 2259.190 332.788 29.705 o 21 7 0 626.121 483.556 508.394 13.014 o 21 7 1 449.538 784.555 207.065 78.161 o 22 0 0 5490.830 6150.420 871.799 4.315 o 22 0 1 48.444 -563.300 568.952 10.400 o 22 0 2 1912.410 2069.040 484.506 14.196 o 22 0 3 509.846 1120.270 480.685 14.550 o 22 0 4 558.448 849.115 235.355 60.484 o 22 0 5 491.749 271.087 441.009 17.299 o 22 0 6 2015.220 2221.920 409.476 19.761 o 22 0 7 691.687 569.788 219.617 69.419 o 22 0 8 1662.960 1760.120 1011.590 3.284 o 22 1 0 149.624 170.592 230.475 63.358 o 22 1 1 1104.770 1122.090 260.708 48.979 o 22 1 2 80.747 252.628 154.535 140.897 o 22 1 3 1145.590 710.402 304.581 36.047 o 22 1 4 169.165 181.958 169.765 116.732 o 22 1 5 654.272 1109.320 282.890 41.856 o 22 1 6 287.142 349.245 146.707 155.986 o 22 1 7 164.547 383.479 131.468 194.380 o 22 2 0 6122.050 5354.760 528.203 11.210 o 22 2 1 360.156 68.142 383.943 22.830 o 22 2 2 1494.480 1838.360 468.344 15.236 o 22 2 3 29.730 225.098 237.908 59.471 o 22 2 4 76.356 132.047 146.667 156.455 o 22 2 5 266.239 278.039 377.186 23.655 o 22 2 6 364.684 606.726 297.363 38.018 o 22 2 7 469.859 103.221 256.588 51.075 o 22 3 0 5755.710 5713.520 666.538 7.245 o 22 3 1 547.051 1141.680 652.328 7.905 o 22 3 2 2548.180 2696.610 411.137 19.436 o 22 3 3 1572.520 1255.110 418.520 19.074 o 22 3 4 397.775 88.254 218.043 70.729 o 22 3 5 1683.100 2246.860 388.880 21.946 o 22 3 6 1970.480 1921.210 279.399 41.857 o 22 4 0 55.969 206.888 131.473 194.681 o 22 4 1 265.028 17.497 155.242 139.567 o 22 4 2 360.200 287.171 205.915 79.265 o 22 4 3 206.208 75.533 153.444 142.879 o 22 4 4 913.483 717.640 246.364 55.061 o 22 4 5 94.674 107.705 159.259 132.696 o 22 5 0 1766.970 2303.090 339.782 28.579 o 22 5 1 215.604 433.954 223.268 67.463 o 22 5 2 1834.920 1801.570 358.579 25.769 o 22 5 3 1170.970 1807.390 328.391 30.878 o 22 5 4 1022.510 1140.890 228.327 63.721 o 23 1 0 7114.160 7719.210 710.411 6.260 o 23 1 1 2787.100 3130.320 487.394 13.867 o 23 1 2 4569.210 4683.820 530.927 11.411 o 23 1 3 118.009 139.189 303.273 36.598 o 23 1 4 679.905 391.352 208.631 76.969 o 23 1 5 666.985 579.292 304.320 36.252 o 23 2 0 2838.250 3480.470 537.757 11.414 o 23 2 1 865.097 987.915 285.932 40.922 o 23 2 2 957.693 1110.930 246.779 54.712 o 23 2 3 1314.500 779.114 388.355 22.203 o 23 2 4 6.240 271.086 242.846 57.078 o 23 2 5 1512.890 1558.390 504.770 13.138 o 23 3 0 406.153 717.842 273.555 44.890 o 23 3 1 310.196 312.322 229.277 63.967 o 23 3 2 780.496 975.305 258.051 50.221 o 23 3 3 468.721 983.354 235.881 60.230 o 23 3 4 334.661 602.834 233.318 61.714 o 23 4 0 2406.970 1803.030 281.535 40.918 o 23 4 1 1223.610 1277.250 393.692 21.587 o 23 4 2 923.190 1223.120 227.255 64.377 o 24 0 0 1162.580 1079.200 558.299 10.773 o 24 0 1 4760.940 4542.050 928.977 3.840 o 24 1 0 302.310 668.993 401.767 20.841 o 24 1 1 594.560 118.792 254.112 52.039 o ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,z+1/2 3 -x+1/2,y,z+1/2 4 x+1/2,-y,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_refinement_flags_posn Co3 Co 0.76918(4) 0.71122(7) 0.43880(5) 0.0280(3) Uani 1.000000 . Co1 Co 0.63290(4) 0.65880(8) 0.38695(5) 0.0295(3) Uani 1.000000 . Co2 Co 0.55026(4) 0.68692(8) 0.53375(5) 0.0291(3) Uani 1.000000 . O2 O 0.5570(2) 0.7489(4) 0.4299(3) 0.0347(13) Uani 1.000000 . O4 O 0.6941(2) 0.7810(4) 0.3994(3) 0.0305(13) Uani 1.000000 . O1 O 0.6033(2) 0.5846(4) 0.4840(3) 0.0300(13) Uani 1.000000 . O3 O 0.7235(2) 0.5932(4) 0.3970(3) 0.0352(13) Uani 1.000000 . N2 N 0.4967(3) 0.8054(5) 0.5704(3) 0.0358(17) Uani 1.000000 . H2 H 0.4560(3) 0.7827(5) 0.5646(3) 0.043(2) Uiso 1.000000 R N4 N 0.8076(2) 0.8465(5) 0.4735(3) 0.0293(15) Uani 1.000000 . H4 H 0.8352(2) 0.8655(5) 0.4352(3) 0.0352(19) Uiso 1.000000 R C19 C 0.5103(3) 0.8059(5) 0.3979(4) 0.0253(18) Uani 1.000000 . N1 N 0.5503(2) 0.6082(5) 0.6335(3) 0.0295(16) Uani 1.000000 . H1 H 0.5146(2) 0.5673(5) 0.6329(3) 0.0354(19) Uiso 1.000000 R N14 N 0.8178(3) 0.7307(5) 0.3458(4) 0.0396(18) Uani 1.000000 . N6 N 0.6773(3) 0.7328(5) 0.5524(3) 0.0273(15) Uani 1.000000 . N12 N 0.4734(3) 0.5549(6) 0.4527(5) 0.043(2) Uani 1.000000 . N5 N 0.6267(3) 0.7700(5) 0.5677(3) 0.0348(17) Uani 1.000000 . N8 N 0.6102(3) 0.6075(6) 0.2823(4) 0.057(2) Uani 1.000000 . N3 N 0.8381(3) 0.6180(5) 0.4776(4) 0.0355(17) Uani 1.000000 . H3 H 0.8681(3) 0.6171(5) 0.4396(4) 0.043(2) Uiso 1.000000 R N7 N 0.7270(3) 0.6955(5) 0.5412(4) 0.0349(16) Uani 1.000000 . N15 N 0.7902(3) 0.7298(6) 0.2841(4) 0.048(2) Uani 1.000000 . C6 C 0.6078(3) 0.4504(7) 0.5791(5) 0.039(2) Uani 1.000000 . N11 N 0.4730(3) 0.6149(6) 0.5073(4) 0.0380(18) Uani 1.000000 . N9 N 0.5670(4) 0.5801(5) 0.2468(4) 0.052(2) Uani 1.000000 . C7 C 0.6044(3) 0.5313(6) 0.6396(4) 0.040(2) Uani 1.000000 . H7a H 0.6017(3) 0.4954(6) 0.6894(4) 0.049(3) Uiso 1.000000 R H7b H 0.6437(3) 0.5716(6) 0.6392(4) 0.049(3) Uiso 1.000000 R C25 C 0.8016(4) 0.4583(6) 0.4089(5) 0.040(2) Uani 1.000000 . C1 C 0.6079(3) 0.4786(6) 0.5004(5) 0.029(2) Uani 1.000000 . C20 C 0.7522(4) 0.5081(6) 0.3659(5) 0.042(2) Uani 1.000000 . C13 C 0.5026(4) 0.9020(6) 0.5203(4) 0.047(2) Uani 1.000000 . H13a H 0.4786(4) 0.9600(6) 0.5432(4) 0.056(3) Uiso 1.000000 R H13b H 0.5468(4) 0.9237(6) 0.5183(4) 0.056(3) Uiso 1.000000 R C38 C 0.6938(3) 0.8789(7) 0.3694(5) 0.043(2) Uani 1.000000 . C14 C 0.4795(3) 0.8830(6) 0.4406(5) 0.037(2) Uani 1.000000 . C26 C 0.8160(3) 0.5059(6) 0.4855(5) 0.040(2) Uani 1.000000 . H26a H 0.8486(3) 0.4639(6) 0.5111(5) 0.048(3) Uiso 1.000000 R H26b H 0.7782(3) 0.5041(6) 0.5177(5) 0.048(3) Uiso 1.000000 R C31 C 0.8458(3) 0.8460(6) 0.5462(4) 0.038(2) Uani 1.000000 . H31a H 0.8176(3) 0.8326(6) 0.5896(4) 0.046(3) Uiso 1.000000 R H31b H 0.8641(3) 0.9165(6) 0.5534(4) 0.046(3) Uiso 1.000000 R N13 N 0.4691(3) 0.4973(7) 0.4007(5) 0.072(3) Uani 1.000000 . C8 C 0.5475(4) 0.6703(6) 0.7075(5) 0.044(2) Uani 1.000000 . H8a H 0.5873(4) 0.7081(6) 0.7142(5) 0.052(3) Uiso 1.000000 R H8b H 0.5433(4) 0.6207(6) 0.7505(5) 0.052(3) Uiso 1.000000 R C27 C 0.8721(3) 0.6522(6) 0.5503(4) 0.038(2) Uani 1.000000 . H27a H 0.8431(3) 0.6461(6) 0.5938(4) 0.046(3) Uiso 1.000000 R H27b H 0.9071(3) 0.6034(6) 0.5596(4) 0.046(3) Uiso 1.000000 R C24 C 0.8312(4) 0.3685(6) 0.3791(6) 0.050(2) Uani 1.000000 . H24 H 0.8632(4) 0.3355(6) 0.4074(6) 0.060(3) Uiso 1.000000 R C17 C 0.4461(4) 0.8549(7) 0.2870(5) 0.049(2) Uani 1.000000 . H17 H 0.4353(4) 0.8450(7) 0.2351(5) 0.059(3) Uiso 1.000000 R C12 C 0.5025(4) 0.8386(7) 0.6536(4) 0.047(2) Uani 1.000000 . H12a H 0.5444(4) 0.8688(7) 0.6615(4) 0.056(3) Uiso 1.000000 R H12b H 0.4718(4) 0.8946(7) 0.6636(4) 0.056(3) Uiso 1.000000 R C37 C 0.6599(4) 0.8994(7) 0.3027(5) 0.053(3) Uani 1.000000 . H37 H 0.6377(4) 0.8450(7) 0.2780(5) 0.064(3) Uiso 1.000000 R C29 C 0.9352(4) 0.7810(7) 0.6226(5) 0.056(3) Uani 1.000000 . H29a H 0.9691(4) 0.7298(7) 0.6248(5) 0.084(4) Uiso 1.000000 R H29b H 0.9525(4) 0.8519(7) 0.6239(5) 0.084(4) Uiso 1.000000 R H29c H 0.9075(4) 0.7709(7) 0.6662(5) 0.084(4) Uiso 1.000000 R C21 C 0.7378(4) 0.4663(6) 0.2929(5) 0.043(2) Uani 1.000000 . H21 H 0.7077(4) 0.5007(6) 0.2624(5) 0.052(3) Uiso 1.000000 R C16 C 0.4147(4) 0.9292(7) 0.3302(5) 0.059(3) Uani 1.000000 . H16 H 0.3829(4) 0.9707(7) 0.3079(5) 0.071(3) Uiso 1.000000 R C28 C 0.8981(3) 0.7657(6) 0.5481(4) 0.035(2) Uani 1.000000 . C15 C 0.4303(4) 0.9422(7) 0.4067(6) 0.068(3) Uani 1.000000 . H15 H 0.4080(4) 0.9912(7) 0.4367(6) 0.081(4) Uiso 1.000000 R C32 C 0.7601(4) 0.9370(6) 0.4784(5) 0.043(2) Uani 1.000000 . H32a H 0.7816(4) 1.0009(6) 0.4962(5) 0.051(3) Uiso 1.000000 R H32b H 0.7280(4) 0.9189(6) 0.5165(5) 0.051(3) Uiso 1.000000 R C2 C 0.6151(3) 0.4037(6) 0.4440(5) 0.044(2) Uani 1.000000 . H2a H 0.6165(3) 0.4242(6) 0.3922(5) 0.053(3) Uiso 1.000000 R N10 N 0.5256(4) 0.5554(6) 0.2077(5) 0.085(3) Uani 1.000000 . C33 C 0.7287(4) 0.9601(7) 0.4038(5) 0.049(3) Uani 1.000000 . C30 C 0.9440(3) 0.7754(7) 0.4806(5) 0.052(2) Uani 1.000000 . H30a H 0.9763(3) 0.7218(7) 0.4852(5) 0.077(4) Uiso 1.000000 R H30b H 0.9215(3) 0.7657(7) 0.4327(5) 0.077(4) Uiso 1.000000 R H30c H 0.9633(3) 0.8449(7) 0.4812(5) 0.077(4) Uiso 1.000000 R C9 C 0.4927(4) 0.7515(7) 0.7114(5) 0.045(2) Uani 1.000000 . C5 C 0.6104(4) 0.3398(7) 0.5966(6) 0.055(3) Uani 1.000000 . H5 H 0.6074(4) 0.3175(7) 0.6479(6) 0.066(3) Uiso 1.000000 R C10 C 0.4959(4) 0.8012(8) 0.7910(4) 0.070(3) Uani 1.000000 . H10a H 0.4897(4) 0.7470(8) 0.8297(4) 0.105(5) Uiso 1.000000 R H10b H 0.5367(4) 0.8340(8) 0.7982(4) 0.105(5) Uiso 1.000000 R H10c H 0.4633(4) 0.8543(8) 0.7959(4) 0.105(5) Uiso 1.000000 R C18 C 0.4941(4) 0.7937(7) 0.3201(5) 0.048(2) Uani 1.000000 . H18 H 0.5157(4) 0.7441(7) 0.2898(5) 0.057(3) Uiso 1.000000 R C11 C 0.4287(4) 0.6972(6) 0.7026(5) 0.055(3) Uani 1.000000 . H11a H 0.4246(4) 0.6419(6) 0.7409(5) 0.082(4) Uiso 1.000000 R H11b H 0.3955(4) 0.7488(6) 0.7096(5) 0.082(4) Uiso 1.000000 R H11c H 0.4255(4) 0.6664(6) 0.6517(5) 0.082(4) Uiso 1.000000 R C3 C 0.6203(4) 0.2976(8) 0.4634(6) 0.063(3) Uani 1.000000 . H3a H 0.6259(4) 0.2469(8) 0.4246(6) 0.076(4) Uiso 1.000000 R C36 C 0.6595(5) 1.0019(8) 0.2730(6) 0.080(3) Uani 1.000000 . H36 H 0.6353(5) 1.0167(8) 0.2291(6) 0.096(4) Uiso 1.000000 R N16 N 0.7675(4) 0.7267(9) 0.2251(5) 0.104(4) Uani 1.000000 . C22 C 0.7666(5) 0.3766(7) 0.2648(6) 0.068(3) Uani 1.000000 . H22 H 0.7546(5) 0.3487(7) 0.2169(6) 0.082(4) Uiso 1.000000 R C35 C 0.6943(5) 1.0824(8) 0.3072(7) 0.094(4) Uani 1.000000 . H35 H 0.6937(5) 1.1508(8) 0.2861(7) 0.113(5) Uiso 1.000000 R C23 C 0.8138(4) 0.3272(8) 0.3081(6) 0.074(3) Uani 1.000000 . H23 H 0.8337(4) 0.2663(8) 0.2891(6) 0.089(4) Uiso 1.000000 R C4 C 0.6172(4) 0.2660(7) 0.5394(7) 0.069(3) Uani 1.000000 . H4a H 0.6198(4) 0.1939(7) 0.5519(7) 0.083(4) Uiso 1.000000 R C34 C 0.7293(5) 1.0618(7) 0.3719(6) 0.080(3) Uani 1.000000 . H34 H 0.7536(5) 1.1155(7) 0.3945(6) 0.096(4) Uiso 1.000000 R loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Co3 0.0195(5) 0.0389(6) 0.0255(6) -0.0015(5) 0.0006(5) 0.0011(6) Co1 0.0223(5) 0.0411(6) 0.0250(6) -0.0019(5) -0.0007(5) -0.0026(6) Co2 0.0200(5) 0.0378(6) 0.0296(7) -0.0009(5) 0.0009(5) -0.0002(6) O2 0.024(3) 0.039(3) 0.041(4) 0.008(2) -0.001(3) 0.004(3) O4 0.024(3) 0.040(3) 0.027(3) 0.007(2) -0.001(2) 0.003(3) O1 0.025(3) 0.030(3) 0.035(4) 0.001(2) -0.002(3) 0.001(3) O3 0.020(3) 0.041(3) 0.044(4) 0.001(2) 0.006(3) -0.001(3) N2 0.033(4) 0.051(4) 0.023(4) -0.008(3) -0.001(3) -0.010(4) N4 0.019(3) 0.053(4) 0.017(4) 0.001(3) -0.004(3) 0.009(3) C19 0.033(4) 0.025(4) 0.018(5) 0.002(3) 0.009(4) -0.001(4) N1 0.008(3) 0.059(4) 0.021(4) -0.003(3) -0.002(3) 0.009(3) N14 0.031(4) 0.069(5) 0.019(5) -0.003(4) 0.001(3) 0.010(4) N6 0.026(4) 0.048(4) 0.008(4) -0.010(3) 0.002(3) -0.001(3) N12 0.015(3) 0.051(5) 0.063(7) -0.006(3) 0.001(4) 0.007(5) N5 0.028(4) 0.049(4) 0.027(4) -0.005(3) 0.008(3) -0.002(3) N8 0.036(5) 0.090(6) 0.046(6) 0.011(4) -0.017(4) -0.011(5) N3 0.016(3) 0.054(4) 0.036(5) 0.002(3) 0.009(3) -0.008(4) N7 0.026(4) 0.048(4) 0.031(4) -0.005(3) -0.002(4) 0.006(4) N15 0.046(5) 0.068(5) 0.032(6) 0.002(4) 0.018(4) 0.003(5) C6 0.022(5) 0.049(6) 0.045(6) 0.008(4) -0.002(4) -0.001(5) N11 0.029(4) 0.059(5) 0.026(5) -0.004(3) 0.003(3) -0.007(4) N9 0.053(5) 0.047(5) 0.056(6) -0.003(4) -0.016(4) 0.001(4) C7 0.026(5) 0.068(6) 0.028(6) -0.011(4) -0.009(4) 0.021(5) C25 0.040(5) 0.030(5) 0.052(7) 0.002(4) -0.008(4) 0.007(4) C1 0.013(4) 0.032(5) 0.041(6) 0.005(3) -0.012(4) 0.000(4) C20 0.027(5) 0.036(5) 0.061(7) -0.004(4) 0.015(4) 0.004(5) C13 0.071(6) 0.040(5) 0.029(6) 0.002(5) -0.006(5) -0.011(4) C38 0.027(5) 0.052(6) 0.049(7) 0.005(4) -0.007(5) 0.006(5) C14 0.043(5) 0.041(5) 0.028(5) 0.011(4) -0.003(5) -0.002(5) C26 0.022(4) 0.036(5) 0.062(7) 0.006(4) -0.010(4) 0.003(5) C31 0.029(4) 0.042(5) 0.044(6) -0.003(4) -0.011(4) -0.007(5) N13 0.049(5) 0.083(6) 0.084(8) -0.003(4) -0.020(5) -0.024(6) C8 0.033(5) 0.063(6) 0.036(6) -0.014(4) -0.007(4) -0.014(5) C27 0.023(4) 0.076(6) 0.016(5) 0.009(4) -0.003(4) 0.001(4) C24 0.034(5) 0.032(5) 0.084(8) 0.002(4) -0.018(6) -0.007(6) C17 0.054(6) 0.058(6) 0.036(6) 0.008(5) -0.007(5) 0.000(5) C12 0.039(5) 0.066(6) 0.035(6) 0.016(5) -0.008(4) -0.018(5) C37 0.057(6) 0.050(6) 0.053(7) -0.008(5) -0.020(5) -0.004(5) C29 0.060(6) 0.069(7) 0.039(6) -0.004(5) -0.017(5) 0.000(5) C21 0.041(5) 0.047(5) 0.042(6) 0.014(4) -0.005(5) -0.024(5) C16 0.068(7) 0.057(6) 0.053(7) 0.022(5) -0.011(6) 0.002(6) C28 0.032(5) 0.044(5) 0.028(6) -0.005(4) 0.006(4) -0.008(4) C15 0.063(7) 0.070(7) 0.071(9) 0.028(5) -0.005(6) 0.001(6) C32 0.039(5) 0.045(5) 0.045(6) 0.003(4) -0.000(5) -0.016(4) C2 0.040(5) 0.032(5) 0.060(7) 0.005(4) -0.007(5) -0.017(5) N10 0.096(8) 0.072(6) 0.088(8) -0.019(5) -0.053(6) -0.001(5) C33 0.032(5) 0.049(6) 0.067(8) 0.008(4) -0.024(5) -0.011(5) C30 0.026(5) 0.070(6) 0.059(6) -0.001(4) -0.007(5) 0.000(5) C9 0.042(5) 0.060(6) 0.034(6) 0.005(5) 0.004(5) -0.018(5) C5 0.045(6) 0.043(6) 0.077(9) 0.008(5) 0.001(5) 0.027(6) C10 0.080(7) 0.103(8) 0.026(6) 0.006(6) 0.003(6) -0.004(6) C18 0.038(5) 0.059(6) 0.046(7) 0.011(5) 0.008(5) 0.008(5) C11 0.058(6) 0.057(6) 0.049(7) 0.006(5) 0.016(5) -0.004(5) C3 0.059(6) 0.049(7) 0.082(9) 0.010(5) -0.006(6) -0.005(6) C36 0.111(9) 0.052(7) 0.077(9) 0.000(6) -0.049(7) 0.026(6) N16 0.075(7) 0.194(10) 0.043(7) 0.032(7) -0.004(6) 0.007(7) C22 0.065(7) 0.065(7) 0.075(9) -0.015(6) 0.007(6) -0.031(6) C35 0.099(9) 0.049(7) 0.134(12) -0.011(6) -0.057(9) 0.025(7) C23 0.051(7) 0.051(7) 0.120(11) 0.003(5) 0.009(7) -0.025(7) C4 0.074(7) 0.037(6) 0.097(10) 0.015(5) -0.006(8) 0.002(7) C34 0.100(9) 0.035(6) 0.105(10) -0.004(6) -0.033(8) -0.002(6) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source _atom_type_scat_dispersion_source C 0.00313 0.00162 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870 51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' Co 0.35001 0.97719 12.28410 7.34090 4.00340 2.34880 4.27910 0.27840 13.53590 71.16920 1.01180 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236 57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' N 0.00612 0.00332 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750 0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' O 0.01085 0.00610 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390 32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u 0 1 0 3528.04 120.93 0 -3 0 1002.18 45.63 0 3 0 940.96 44.74 0 -3 0 944.44 43.44 0 3 0 973.22 46.35 0 -4 0 56.23 9.52 0 -4 0 42.78 9.61 0 4 0 53.23 12.75 0 4 0 52.92 12.23 0 -5 0 926.16 47.13 0 -5 0 842.24 48.91 0 5 0 906.15 49.84 0 5 0 833.34 50.69 0 -6 0 34.85 11.95 0 6 0 19.35 9.53 0 -6 0 36.08 10.3 0 6 0 40.25 11.83 0 7 0 26.83 10.31 0 -7 0 13.1 8.01 0 -7 0 15.7 7.81 0 7 0 23.94 11.07 0 -8 0 111.15 19.62 0 8 0 114.59 26.95 0 8 0 108.72 17.74 0 9 0 14.99 8.65 0 9 0 4.39 7.6 0 -9 0 -3.85 5.61 0 10 0 63.86 23.13 0 10 0 30.7 13.36 0 -10 0 31 12.39 0 11 0 44.21 18.99 0 11 0 31.94 18.51 0 12 0 -13.85 13.19 0 12 0 -12.38 9.31 0 13 0 14.26 17 0 13 0 29.74 20.68 0 14 0 -35.45 16.83 0 14 0 -20.55 16.78 0 1 -1 0.33 0.61 0 1 1 -0.99 1.4 0 1 1 -0.82 0.54 0 -2 -1 0.88 1.6 0 2 -1 -0.66 1.22 0 -2 -1 0.86 0.98 0 2 -1 0.52 1.27 0 -2 1 1.39 0.85 0 2 1 -0.36 1.02 0 -2 1 0.99 1.42 0 2 1 -2.89 1.33 0 3 1 -2.27 2.32 0 3 -1 -1.02 1.65 0 -3 1 0.67 2.48 0 -3 1 5.08 2.51 0 -3 -1 -0.57 2.33 0 3 -1 -1.09 1.46 0 3 1 0.37 2.05 0 -3 -1 0.87 2.18 0 -4 -1 1.74 2.15 0 4 -1 -3.39 2.35 0 4 -1 -1.79 1.57 0 -4 1 2.07 3.7 0 -4 -1 3.61 3.35 0 -4 1 -0.95 1.86 0 4 1 -1.39 2.62 0 5 1 -1.65 4.5 0 5 -1 -0.98 2.7 0 -5 -1 3.25 3.57 0 -5 1 -0.06 3.62 0 5 -1 0.94 3.55 0 -5 1 0.62 2.92 0 -5 -1 -1.85 3.43 0 5 1 -3.33 2.49 0 6 1 -7.16 4.06 0 -6 -1 -4.62 3.54 0 -6 1 -1.53 3.86 0 6 1 -1.42 2.68 0 6 -1 -0.85 2.69 0 6 -1 -3.48 4 0 -6 1 -4.5 2.64 0 -6 -1 -6.59 3.91 0 7 1 2.68 4.93 0 7 -1 0.41 3.93 0 7 -1 -4.49 4.44 0 7 1 5.05 5.73 0 -7 -1 9.19 6.46 0 -7 1 3.61 5.97 0 -7 1 5.44 3.97 0 8 -1 6.39 5.31 0 -8 -1 2.31 6.31 0 -8 1 9.36 7.91 0 8 -1 -5.38 5.2 0 8 1 8.37 4.43 0 8 1 -0.6 6.05 0 9 -1 -4.77 6.12 0 9 1 1.26 8.07 0 9 1 1.47 9.72 0 9 -1 -1.75 7.15 0 -9 1 12.37 8.82 0 -9 -1 7.87 9.19 0 10 -1 5.48 7.24 0 -10 -1 13.43 9.96 0 -10 1 -3.92 9.01 0 10 1 5.8 11.23 0 10 -1 -16.2 8.08 0 11 -1 3.57 10.35 0 11 1 -1.55 10.97 0 11 1 -3.84 9.35 0 11 -1 4.36 10.2 0 12 1 22.09 14.84 0 12 -1 8.5 15.01 0 12 1 24.58 16.4 0 12 -1 -8.77 9.47 0 13 1 -9.65 14.49 0 13 1 -7.11 17.69 0 13 -1 -11.1 13.1 0 14 1 -19.36 16.58 0 14 -1 -15.78 17.81 0 0 -2 9999 320.12 0 0 2 9673.73 324.73 0 -1 2 572.32 27.15 0 1 2 588.9 29.27 0 2 -2 1191.53 52.22 0 2 2 1295.77 55.31 0 -2 -2 1135.33 52.2 0 2 -2 1116.94 43.92 0 2 2 1239.75 52.45 0 2 -2 1091.47 52.76 0 3 -2 380.16 20.4 0 -3 -2 384 24.53 0 -3 2 365.61 26.5 0 -3 2 397.54 21.68 0 3 -2 422.73 26.67 0 3 2 360.46 28.08 0 -3 -2 418.9 28.04 0 3 2 352.08 25.4 0 4 2 89.6 13.22 0 -4 -2 78.07 12.5 0 -4 2 59.59 8.47 0 -4 2 57.05 12.76 0 4 -2 64.47 8.82 0 -4 -2 69.29 10.47 0 4 2 73.58 17.25 0 4 -2 76.77 11.7 0 -5 -2 587.03 39.26 0 -5 2 513.32 38.14 0 5 2 544.66 38.44 0 5 -2 575.73 34.7 0 5 -2 578.5 37.73 0 5 2 426.11 37.92 0 -5 -2 514.79 34.93 0 -5 2 537.29 31.57 0 -6 2 36.23 13.11 0 -6 -2 11.08 8.03 0 6 -2 21.13 8.14 0 -6 2 29.81 7.74 0 6 -2 18.72 8.92 0 6 2 21.2 11.92 0 -6 -2 19.19 8.77 0 6 2 32.64 10.02 0 7 2 136.88 20.78 0 7 -2 130.37 19.02 0 7 2 152.45 21.98 0 -7 -2 119.28 18.1 0 -7 2 145.97 16.83 0 -7 2 126.98 21.05 0 7 -2 115.18 18.39 0 -8 -2 131.58 18.88 0 8 2 121.75 19.1 0 8 -2 107.5 17.49 0 8 2 111.68 29.36 0 -8 2 131.41 21.37 0 8 -2 93.06 21.99 0 9 2 38.2 17.7 0 -9 -2 59.44 17.55 0 9 -2 38.03 13.66 0 -9 2 51.1 17.99 0 9 2 35.06 16.91 0 9 -2 43.83 16.21 0 -10 2 46.53 19.92 0 10 -2 91.95 24.27 0 10 2 60.76 23.19 0 -10 -2 41.17 16.95 0 10 2 45.69 19.26 0 10 -2 95.23 24.92 0 11 -2 50.9 18.89 0 11 2 80.64 24.94 0 11 -2 74.04 21.83 0 11 2 58.06 21.6 0 12 -2 2.98 11.31 0 12 2 36.12 22.4 0 12 2 31.1 15.68 0 12 -2 33.38 19.34 0 13 2 97.76 32.53 0 13 -2 52.73 25.86 0 13 -2 58.18 25.99 0 13 2 67.53 25.5 0 14 2 26.65 26.31 0 14 2 27.38 23.7 0 14 -2 -2.7 20.12 0 14 -2 61.45 29.27 0 0 3 0.71 1.61 0 0 -3 2.23 2.43 0 0 3 -2.51 1.3 0 0 -3 -0.24 1.58 0 -1 -3 -1.17 1.4 0 -1 3 -0.88 1.96 0 1 -3 -0.08 1.68 0 -1 -3 0.41 2.08 0 1 3 1.28 1.95 0 1 -3 -1.1 1.47 0 1 3 -2.3 1.21 0 -2 3 -2.72 2.45 0 2 3 2.51 3.54 0 -2 -3 -0.68 1.85 0 2 -3 2.04 1.72 0 -2 -3 -1.02 2.01 0 2 -3 1.33 2.94 0 2 3 2.6 3.35 0 3 -3 2.06 1.35 0 -3 -3 -1.39 2.24 0 3 3 -1.61 3.12 0 3 3 -1.95 2.89 0 -3 3 0.34 1.87 0 -3 -3 0.56 3.04 0 3 -3 -0.47 1.98 0 4 3 -4.16 4.08 0 4 -3 2.51 2.29 0 4 -3 2.86 4.17 0 -4 3 -0.21 2.91 0 -4 -3 -2.5 2.25 0 -4 -3 3.32 4.75 0 4 3 -1.35 3.37 0 -5 -3 -3.19 3.62 0 5 3 -1.19 4.05 0 5 3 -3.05 3.25 0 -5 3 -1.88 4.33 0 5 -3 -3.59 2.04 0 -5 -3 -1.78 3.22 0 5 -3 -1.77 3.44 0 6 -3 -1.49 3.91 0 -6 3 5.07 5.27 0 6 3 4 6.84 0 -6 3 -6.36 3.32 0 -6 -3 5.11 9.69 0 6 3 -1.01 4.41 0 6 -3 0.25 3.34 0 -6 -3 6.15 3.5 0 7 -3 10.78 7.2 0 7 -3 -0.92 3.9 0 7 3 6.42 7.48 0 -7 -3 9.66 4.99 0 -7 3 3.05 4.27 0 7 3 -1.46 5.64 0 -7 3 0.16 6.07 0 8 -3 4.24 4.86 0 8 3 -0.55 4.35 0 8 3 16.43 10.44 0 8 -3 -4.3 4.09 0 -8 -3 1.16 5.52 0 -8 3 5.95 7.33 0 9 -3 2.06 7.63 0 9 3 0.12 10.22 0 9 3 -8.87 7.07 0 -9 3 13.49 11.48 0 9 -3 -6.43 7.53 0 -9 -3 1.43 6.22 0 10 3 -14.4 10.77 0 -10 -3 -7.07 8.33 0 -10 3 -13.26 11.42 0 10 -3 -1.67 7.9 0 10 -3 6.76 8.9 0 10 3 2.98 11.77 0 11 3 11.6 14.32 0 11 -3 -3.16 9.76 0 11 -3 14.82 10.27 0 11 3 -7.81 9.7 0 12 -3 17.75 10.36 0 12 -3 11.49 11 0 12 3 12.16 12.92 0 13 -3 27.6 13.68 0 13 -3 -10.8 11.4 0 13 3 -11.69 18.18 0 13 3 -3.89 15.78 0 14 -3 -22.16 15.07 0 14 3 -5.28 14.49 0 14 -3 -13.1 18.74 0 14 3 -33.43 16.79 0 0 4 236.47 18.84 0 0 -4 225.75 17.51 0 0 4 215.28 20.84 0 0 -4 158.18 17.77 0 -1 -4 636.81 39.11 0 1 -4 673.38 34.5 0 1 4 645.33 41.05 0 1 4 624.55 37.04 0 -1 -4 662.8 36.22 0 -1 4 667.25 35.5 0 1 -4 677.48 42.32 0 -1 4 663.75 42.33 0 -2 4 330.69 24.02 0 2 4 337.83 27.65 0 -2 -4 291.91 24.7 0 -2 -4 337.96 25.56 0 2 -4 322.99 22.59 0 2 4 324.26 26.58 0 2 -4 318.6 20.25 0 -3 -4 79.24 12.64 0 3 4 111 15.81 0 -3 -4 80.51 13.18 0 -3 4 114.3 12.14 0 3 -4 73.06 12.44 0 3 4 90.12 18.83 0 3 -4 89.52 8.96 0 4 4 73.59 16.97 0 4 -4 83.81 9.4 0 -4 -4 69.3 15.68 0 4 -4 91.88 15.03 0 4 4 92.85 21.92 0 4 -4 95.25 19.83 0 -4 -4 69.52 12.18 0 -4 4 72.6 10.59 0 -5 -4 44.32 12.2 0 5 4 25.36 12.12 0 5 4 45.91 13.47 0 -5 4 59.55 12.54 0 5 -4 40.48 12.69 0 5 -4 43.56 9.52 0 -5 -4 43.55 10.56 0 6 -4 131.18 14.95 0 -6 -4 148.91 18.81 0 -6 4 117.74 15.56 0 6 -4 124.64 19.42 0 6 4 143.29 22.72 0 6 4 136.03 29.64 0 7 -4 697.39 43.38 0 7 4 671.71 53.11 0 7 -4 652.53 48.54 0 -7 -4 664.09 46.05 0 7 4 652.88 56.97 0 -7 4 611.48 41.04 0 8 -4 9.84 7.95 0 8 -4 20.93 10.73 0 8 4 15.47 13.48 0 -8 4 23.93 9.2 0 8 4 12.64 9.5 0 -8 -4 24.22 11.55 0 -9 -4 139.42 27.99 0 9 -4 139.02 22.43 0 9 -4 166.05 26.16 0 9 4 142.13 34.03 0 9 4 140.14 32.5 0 10 4 143.37 38.07 0 -10 -4 122.05 26.26 0 10 -4 142.51 24.14 0 10 4 100.17 25.71 0 10 -4 126.58 20.93 0 11 -4 14.37 11.32 0 11 4 -11.43 10.23 0 11 -4 16.75 14.15 0 11 4 3.51 18.02 0 12 4 63.37 26.28 0 12 4 18.47 22.29 0 12 -4 49.8 19.69 0 12 -4 62.99 18.65 0 13 4 77.35 29.19 0 13 -4 76.05 24.44 0 13 -4 70.14 25.88 0 13 4 143.23 39.9 0 14 -4 26.78 19.99 0 14 -4 28.72 23.67 0 14 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104.71 30.15 0 1 -12 66.1 19.94 0 -1 -12 83.25 24.15 0 -2 -12 401.23 39.89 0 2 -12 419.09 54.41 0 2 -12 343.8 34.18 0 2 12 383.1 45.23 0 -2 12 419.47 43.27 0 2 12 369.35 50.6 0 3 12 337.37 44.04 0 -3 12 406.32 39.69 0 -3 -12 408.45 43.42 0 3 12 320.4 49.57 0 3 -12 349.62 35.17 0 -4 -12 105.37 27.16 0 4 -12 100.89 22.06 0 4 12 95.92 36.46 0 -4 12 65.37 21.88 0 4 12 82.03 27.01 0 4 -12 93.02 19.57 0 5 12 629.58 64.47 0 5 -12 525.45 37.47 0 5 -12 506.48 44.59 0 -5 12 570.99 51.29 0 5 12 603.73 63.03 0 6 -12 145.21 29.31 0 6 12 134.35 42 0 6 12 133.92 42.51 0 6 -12 121.59 17.78 0 7 12 263.58 60.07 0 7 -12 274.64 24.81 0 7 12 364.16 52.37 0 7 -12 309.85 43.13 0 7 -12 352.32 40.86 0 8 -12 12.12 24.63 0 8 -12 9.05 9.24 0 8 12 4.19 24.71 0 8 -12 23.78 16.18 0 8 12 -1.41 18.14 0 9 12 49.22 23.82 0 9 12 73.56 29.12 0 9 -12 53.9 25.01 0 9 -12 100.06 15.81 0 10 -12 79.47 28.72 0 10 12 77.2 28.57 0 10 12 63.85 41.62 0 10 -12 54.49 18.58 0 11 -12 31.8 14.18 0 11 12 -29.91 32.53 0 11 12 32.45 25.01 0 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63.55 21.49 12 12 -1 36.28 21.56 -12 12 1 21.11 24.89 12 12 -1 75.39 23.89 12 -12 1 77.91 29.56 -12 12 -1 44.42 25.34 12 12 1 82.5 25.75 12 12 1 64.43 22.91 12 -12 -1 28.57 20.33 12 13 -1 26.44 18.88 12 13 -1 13.58 15.36 -12 13 1 -24.16 28.8 12 13 1 3.99 18.83 12 13 1 45.18 22.18 -12 13 -1 26.65 24.91 -12 0 2 370.03 47.5 12 0 2 404.56 42.37 12 0 2 423.72 32.88 12 0 -2 407.59 41.85 12 1 -2 109.12 26.41 12 -1 2 88.35 14.9 -12 1 2 101.46 29.46 12 -1 2 107.89 25.29 12 1 -2 80.58 10.04 -12 1 -2 134.76 31.58 12 1 2 84.4 11.79 -12 -1 2 72.03 25.15 12 1 2 96.43 21.04 12 1 2 93.72 26.65 12 2 -2 99.89 25.84 12 -2 2 121.51 25.09 -12 2 2 85.14 28.79 12 -2 2 95.21 20.45 12 2 -2 105.49 12.26 -12 2 -2 80.62 23.04 12 2 2 96.07 13.23 12 2 2 90.86 15.39 -12 -2 2 98.38 31.65 12 3 -2 82.35 12.73 12 3 -2 78.8 21.67 -12 3 2 104.15 30.94 12 -3 2 93.85 21.67 -12 3 -2 105.11 27.4 12 -3 -2 84.38 9.26 12 3 2 91.76 14.1 12 3 2 75.57 18.3 12 4 -2 68.83 18.64 12 4 -2 62.3 15.25 -12 4 2 90.43 24.42 12 -4 2 65.64 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38.77 24 -4 0 27.3 19.77 24 4 0 51.61 20.68 -24 4 0 36.28 38.75 24 0 -1 215.63 47.74 24 0 1 208.92 42.73 24 1 -1 33.73 16.49 -24 1 1 0.43 35.87 24 -1 1 25.05 19.68 24 -1 -1 15.88 22.54 24 1 1 -8.12 15.89 -24 2 1 2.1 34.99 24 2 -1 71.29 23.55 24 -2 1 25.85 19.57 24 2 1 69.11 23 24 -2 -1 35.37 21.52 24 3 -1 133.56 34.6 24 -3 1 59.62 26.22 -24 3 1 90.94 51.97 -24 3 -1 108.62 59.27 24 -3 -1 80.03 29.43 24 3 1 127.09 32.9 24 -4 1 -2.52 17.53 -24 4 1 3.7 39.6 24 4 -1 37.49 19.02 24 4 1 14.38 15.91 24 -4 -1 17.07 17.5 -24 4 -1 34.25 41 -24 0 2 78.5 49.12 24 0 -2 60.12 19.27 24 0 2 54.66 24.8 24 -1 2 15.64 13.55 24 1 -2 9.19 15.03 -24 1 2 -19.16 35.21 24 -1 -2 7.28 15.25 24 1 2 21.95 16.43 24 -2 2 -2.61 15.85 -24 2 2 41.7 32.44 24 2 -2 1 14.56 24 -2 -2 51.22 23.11 24 2 2 37.7 18.9 -24 3 2 -41.5 29.14 24 3 -2 20.48 18.13 24 -3 2 15.4 16.12 24 -3 -2 38.05 18.9 24 3 2 33.08 18.18 24 4 -2 9.33 17.48 24 -4 2 32.16 18.58 -24 4 2 4.21 33.39 24 -4 -2 11.09 15.14 24 4 2 35.6 18.48 24 0 -3 55.72 23.1 -24 0 3 22.88 43.97 24 0 3 58.39 21.59 -24 1 3 -1.06 34.29 24 1 -3 6.23 16.61 24 -1 3 -23.02 13.94 24 -1 -3 5.66 13.28 24 1 3 25.35 14.7 24 -2 3 3.34 16.39 -24 2 3 21.96 32.31 24 2 -3 46.14 20.01 24 2 3 28.98 15.81 24 -2 -3 12.8 15.21 24 3 -3 14.21 16 24 -3 3 33.24 13.15 -24 3 3 28.28 33.46 24 -3 -3 12.35 16.42 24 3 3 37.25 16.94 24 0 -4 45.99 24.96 -24 0 4 102.56 43.49 24 0 4 64.51 22.29 24 -1 4 -11.84 11.66 -24 1 4 -28.33 33.52 24 1 -4 16.46 14.15 24 -1 -4 19.3 19.6 -24 -1 4 5.71 27.28 24 1 4 -6 11.33 -24 2 4 -6.6 25.73 24 -2 4 46.05 15.26 24 2 -4 55.39 22.49 24 -2 -4 18.26 16.68 24 2 4 43.29 19.93 24 3 -4 -5.85 16.16 -24 3 4 28.29 30.35 24 3 4 21.1 12.98 24 -3 -4 -11.58 16.79 24 0 5 58.91 19.85 -24 0 5 24.93 37.09 24 0 -5 24.45 17.46 24 -1 5 37.32 15.83 -24 1 5 98.31 35.21 24 1 -5 20.56 18.78 -24 -1 5 4 43.31 24 1 5 -5.6 12.18 24 -1 -5 12.67 14.91 24 2 -5 18.77 19.41 -24 2 5 35.07 27.16 24 2 5 14.17 14.07 24 -2 -5 16.45 18.8 -24 -2 5 2.85 27.81 24 0 -6 91.53 34.03 24 0 6 48.74 17.41 -24 0 6 55.72 43.97 25 0 0 12.87 18.57 25 -1 0 17.33 17.3 25 1 0 24.18 17.37 25 0 -1 29.71 18.57 25 0 1 -5.62 14.45 25 -1 1 55.43 19.45 25 1 -1 26.29 18.07 25 1 1 21.92 16.65 25 -1 -1 16.47 16.45 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 O3 Co3 O4 78.70(19) . . ? N4 Co3 O4 93.1(2) . . ? N4 Co3 O3 171.6(2) . . ? N14 Co3 O4 95.0(2) . . ? N14 Co3 O3 93.0(2) . . ? N14 Co3 N4 85.7(3) . . ? N3 Co3 O4 170.7(2) . . ? N3 Co3 O3 92.3(2) . . ? N3 Co3 N4 95.9(2) . . ? N3 Co3 N14 88.0(3) . . ? N7 Co3 O4 89.5(2) . . ? N7 Co3 O3 91.9(2) . . ? N7 Co3 N4 90.0(2) . . ? N7 Co3 N14 174.0(3) . . ? N7 Co3 N3 88.3(3) . . ? O4 Co1 O2 92.44(18) . . ? O1 Co1 O2 73.61(18) . . ? O1 Co1 O4 117.44(19) . . ? O3 Co1 O2 151.9(2) . . ? O3 Co1 O4 72.75(18) . . ? O3 Co1 O1 91.87(18) . . ? N8 Co1 O2 108.2(2) . . ? N8 Co1 O4 120.0(3) . . ? N8 Co1 O1 122.3(3) . . ? N8 Co1 O3 99.8(2) . . ? O1 Co2 O2 79.19(19) . . ? N2 Co2 O2 92.1(2) . . ? N2 Co2 O1 171.2(2) . . ? N1 Co2 O2 172.4(2) . . ? N1 Co2 O1 93.2(2) . . ? N1 Co2 N2 95.6(2) . . ? N5 Co2 O2 90.2(2) . . ? N5 Co2 O1 90.6(2) . . ? N5 Co2 N2 88.6(3) . . ? N5 Co2 N1 90.3(2) . . ? N11 Co2 O2 91.8(2) . . ? N11 Co2 O1 94.3(2) . . ? N11 Co2 N2 86.8(3) . . ? N11 Co2 N1 88.4(2) . . ? N11 Co2 N5 175.0(3) . . ? Co2 O2 Co1 99.5(2) . . ? C19 O2 Co1 134.8(5) . . ? C19 O2 Co2 122.5(4) . . ? Co1 O4 Co3 102.6(2) . . ? C38 O4 Co3 124.0(4) . . ? C38 O4 Co1 130.9(5) . . ? Co2 O1 Co1 104.2(2) . . ? C1 O1 Co1 126.9(5) . . ? C1 O1 Co2 127.2(5) . . ? Co1 O3 Co3 100.9(2) . . ? C20 O3 Co3 122.7(4) . . ? C20 O3 Co1 134.0(5) . . ? H2 N2 Co2 105.62(18) . . ? C13 N2 Co2 112.2(5) . . ? C13 N2 H2 105.6(4) . . ? C12 N2 Co2 118.0(5) . . ? C12 N2 H2 105.6(4) . . ? C12 N2 C13 108.8(6) . . ? H4 N4 Co3 105.46(17) . . ? C31 N4 Co3 118.3(5) . . ? C31 N4 H4 105.5(4) . . ? C32 N4 Co3 112.8(4) . . ? C32 N4 H4 105.5(4) . . ? C32 N4 C31 108.3(5) . . ? C14 C19 O2 120.1(7) . . ? C18 C19 O2 121.3(6) . . ? C18 C19 C14 118.5(7) . . ? H1 N1 Co2 105.64(16) . . ? C7 N1 Co2 112.5(4) . . ? C7 N1 H1 105.6(4) . . ? C8 N1 Co2 118.8(5) . . ? C8 N1 H1 105.6(4) . . ? C8 N1 C7 107.7(5) . . ? N15 N14 Co3 118.4(5) . . ? N7 N6 N5 176.8(7) . . ? N13 N12 N11 175.1(8) . . ? N6 N5 Co2 116.8(5) . . ? N9 N8 Co1 140.9(7) . . ? H3 N3 Co3 105.81(18) . . ? C26 N3 Co3 111.0(4) . . ? C26 N3 H3 105.8(4) . . ? C27 N3 Co3 117.5(4) . . ? C27 N3 H3 105.8(4) . . ? C27 N3 C26 110.0(6) . . ? N6 N7 Co3 120.8(5) . . ? N16 N15 N14 176.2(9) . . ? C1 C6 C7 121.2(7) . . ? C5 C6 C7 121.9(8) . . ? C5 C6 C1 116.8(8) . . ? N12 N11 Co2 118.2(5) . . ? N10 N9 N8 176.0(10) . . ? C6 C7 N1 115.7(6) . . ? H7a C7 N1 108.3(4) . . ? H7a C7 C6 108.3(4) . . ? H7b C7 N1 108.3(4) . . ? H7b C7 C6 108.3(4) . . ? H7b C7 H7a 107.4 . . ? C26 C25 C20 116.0(7) . . ? C24 C25 C20 119.5(8) . . ? C24 C25 C26 124.5(8) . . ? C6 C1 O1 116.5(7) . . ? C2 C1 O1 122.2(7) . . ? C2 C1 C6 121.2(8) . . ? C25 C20 O3 118.2(8) . . ? C21 C20 O3 124.2(7) . . ? C21 C20 C25 117.6(7) . . ? H13a C13 N2 109.1(4) . . ? H13b C13 N2 109.1(4) . . ? H13b C13 H13a 107.9 . . ? C14 C13 N2 112.4(6) . . ? C14 C13 H13a 109.1(4) . . ? C14 C13 H13b 109.1(5) . . ? C37 C38 O4 120.0(8) . . ? C33 C38 O4 120.4(7) . . ? C33 C38 C37 119.6(8) . . ? C13 C14 C19 117.1(7) . . ? C15 C14 C19 119.8(8) . . ? C15 C14 C13 123.1(8) . . ? C25 C26 N3 111.2(7) . . ? H26a C26 N3 109.4(4) . . ? H26a C26 C25 109.4(4) . . ? H26b C26 N3 109.4(4) . . ? H26b C26 C25 109.4(4) . . ? H26b C26 H26a 108.0 . . ? H31a C31 N4 108.6(4) . . ? H31b C31 N4 108.6(4) . . ? H31b C31 H31a 107.5 . . ? C28 C31 N4 114.8(6) . . ? C28 C31 H31a 108.6(4) . . ? C28 C31 H31b 108.6(4) . . ? H8a C8 N1 108.7(3) . . ? H8b C8 N1 108.7(4) . . ? H8b C8 H8a 107.6 . . ? C9 C8 N1 114.2(6) . . ? C9 C8 H8a 108.7(4) . . ? C9 C8 H8b 108.7(4) . . ? H27a C27 N3 108.6(4) . . ? H27b C27 N3 108.6(4) . . ? H27b C27 H27a 107.6 . . ? C28 C27 N3 114.5(6) . . ? C28 C27 H27a 108.6(4) . . ? C28 C27 H27b 108.6(4) . . ? H24 C24 C25 119.5(5) . . ? C23 C24 C25 121.0(8) . . ? C23 C24 H24 119.5(5) . . ? C16 C17 H17 119.9(5) . . ? C18 C17 H17 119.9(5) . . ? C18 C17 C16 120.3(8) . . ? H12a C12 N2 108.5(4) . . ? H12b C12 N2 108.5(4) . . ? H12b C12 H12a 107.5 . . ? C9 C12 N2 115.2(7) . . ? C9 C12 H12a 108.5(4) . . ? C9 C12 H12b 108.5(4) . . ? H37 C37 C38 120.4(5) . . ? C36 C37 C38 119.1(8) . . ? C36 C37 H37 120.4(5) . . ? H29b C29 H29a 109.5 . . ? H29c C29 H29a 109.5 . . ? H29c C29 H29b 109.5 . . ? C28 C29 H29a 109.5 . . ? C28 C29 H29b 109.5 . . ? C28 C29 H29c 109.5 . . ? H21 C21 C20 118.9(5) . . ? C22 C21 C20 122.1(8) . . ? C22 C21 H21 118.9(6) . . ? H16 C16 C17 120.3(5) . . ? C15 C16 C17 119.4(9) . . ? C15 C16 H16 120.3(6) . . ? C27 C28 C31 111.4(6) . . ? C29 C28 C31 108.4(6) . . ? C29 C28 C27 106.3(6) . . ? C30 C28 C31 113.6(7) . . ? C30 C28 C27 108.8(6) . . ? C30 C28 C29 108.1(6) . . ? C16 C15 C14 121.1(9) . . ? H15 C15 C14 119.5(5) . . ? H15 C15 C16 119.5(6) . . ? H32a C32 N4 108.9(4) . . ? H32b C32 N4 108.9(4) . . ? H32b C32 H32a 107.7 . . ? C33 C32 N4 113.2(6) . . ? C33 C32 H32a 108.9(5) . . ? C33 C32 H32b 108.9(4) . . ? H2a C2 C1 119.9(5) . . ? C3 C2 C1 120.2(9) . . ? C3 C2 H2a 119.9(6) . . ? C32 C33 C38 117.8(8) . . ? C34 C33 C38 120.6(8) . . ? C34 C33 C32 121.4(8) . . ? H30a C30 C28 109.5 . . ? H30b C30 C28 109.5 . . ? H30b C30 H30a 109.5 . . ? H30c C30 C28 109.5 . . ? H30c C30 H30a 109.5 . . ? H30c C30 H30b 109.5 . . ? C12 C9 C8 110.5(7) . . ? C10 C9 C8 106.2(7) . . ? C10 C9 C12 107.5(7) . . ? C11 C9 C8 111.5(7) . . ? C11 C9 C12 112.5(7) . . ? C11 C9 C10 108.4(7) . . ? H5 C5 C6 119.5(5) . . ? C4 C5 C6 120.9(9) . . ? C4 C5 H5 119.5(6) . . ? H10a C10 C9 109.5 . . ? H10b C10 C9 109.5 . . ? H10b C10 H10a 109.5 . . ? H10c C10 C9 109.5 . . ? H10c C10 H10a 109.5 . . ? H10c C10 H10b 109.5 . . ? C17 C18 C19 120.8(8) . . ? H18 C18 C19 119.6(4) . . ? H18 C18 C17 119.6(5) . . ? H11a C11 C9 109.5 . . ? H11b C11 C9 109.5 . . ? H11b C11 H11a 109.5 . . ? H11c C11 C9 109.5 . . ? H11c C11 H11a 109.5 . . ? H11c C11 H11b 109.5 . . ? H3a C3 C2 119.7(6) . . ? C4 C3 C2 120.5(9) . . ? C4 C3 H3a 119.7(6) . . ? H36 C36 C37 119.4(5) . . ? C35 C36 C37 121.1(9) . . ? C35 C36 H36 119.4(6) . . ? H22 C22 C21 120.2(6) . . ? C23 C22 C21 119.6(9) . . ? C23 C22 H22 120.2(6) . . ? H35 C35 C36 120.0(6) . . ? C34 C35 C36 119.9(9) . . ? C34 C35 H35 120.0(6) . . ? C22 C23 C24 120.0(9) . . ? H23 C23 C24 120.0(5) . . ? H23 C23 C22 120.0(6) . . ? C3 C4 C5 120.2(9) . . ? H4a C4 C5 119.9(6) . . ? H4a C4 C3 119.9(6) . . ? C35 C34 C33 119.5(9) . . ? H34 C34 C33 120.2(5) . . ? H34 C34 C35 120.2(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 Co3 O4 1.929(4) . ? Co3 O3 1.904(5) . ? Co3 N4 1.971(6) . ? Co3 N14 1.918(6) . ? Co3 N3 1.979(6) . ? Co3 N7 1.985(6) . ? Co1 O2 2.093(5) . ? Co1 O4 2.013(5) . ? Co1 O1 2.012(5) . ? Co1 O3 2.085(4) . ? Co1 N8 1.974(7) . ? Co2 O2 1.956(5) . ? Co2 O1 1.904(5) . ? Co2 N2 1.968(6) . ? Co2 N1 1.981(6) . ? Co2 N5 2.004(6) . ? Co2 N11 1.916(6) . ? O2 C19 1.334(8) . ? O4 C38 1.331(9) . ? O1 C1 1.360(8) . ? O3 C20 1.338(8) . ? N2 H2 0.9100 . ? N2 C13 1.491(9) . ? N2 C12 1.497(8) . ? N4 H4 0.9100 . ? N4 C31 1.489(8) . ? N4 C32 1.515(8) . ? C19 C14 1.377(9) . ? C19 C18 1.392(10) . ? N1 H1 0.9100 . ? N1 C7 1.496(8) . ? N1 C8 1.496(8) . ? N14 N15 1.212(9) . ? N6 N5 1.194(7) . ? N6 N7 1.162(8) . ? N12 N11 1.204(8) . ? N12 N13 1.154(9) . ? N8 N9 1.148(9) . ? N3 H3 0.9100 . ? N3 C26 1.485(8) . ? N3 C27 1.506(8) . ? N15 N16 1.124(9) . ? C6 C7 1.455(10) . ? C6 C1 1.403(10) . ? C6 C5 1.417(10) . ? N9 N10 1.146(9) . ? C7 H7a 0.9700 . ? C7 H7b 0.9700 . ? C25 C20 1.421(10) . ? C25 C26 1.481(10) . ? C25 C24 1.383(10) . ? C1 C2 1.359(9) . ? C20 C21 1.397(10) . ? C13 H13a 0.9700 . ? C13 H13b 0.9700 . ? C13 C14 1.476(10) . ? C38 C37 1.376(10) . ? C38 C33 1.387(10) . ? C14 C15 1.402(10) . ? C26 H26a 0.9700 . ? C26 H26b 0.9700 . ? C31 H31a 0.9700 . ? C31 H31b 0.9700 . ? C31 C28 1.491(9) . ? C8 H8a 0.9700 . ? C8 H8b 0.9700 . ? C8 C9 1.539(10) . ? C27 H27a 0.9700 . ? C27 H27b 0.9700 . ? C27 C28 1.523(10) . ? C24 H24 0.9300 . ? C24 C23 1.378(12) . ? C17 H17 0.9300 . ? C17 C16 1.363(10) . ? C17 C18 1.392(10) . ? C12 H12a 0.9700 . ? C12 H12b 0.9700 . ? C12 C9 1.492(10) . ? C37 H37 0.9300 . ? C37 C36 1.381(11) . ? C29 H29a 0.9600 . ? C29 H29b 0.9600 . ? C29 H29c 0.9600 . ? C29 C28 1.515(10) . ? C21 H21 0.9300 . ? C21 C22 1.364(10) . ? C16 H16 0.9300 . ? C16 C15 1.369(11) . ? C28 C30 1.518(10) . ? C15 H15 0.9300 . ? C32 H32a 0.9700 . ? C32 H32b 0.9700 . ? C32 C33 1.475(10) . ? C2 H2a 0.9300 . ? C2 C3 1.373(11) . ? C33 C34 1.387(11) . ? C30 H30a 0.9600 . ? C30 H30b 0.9600 . ? C30 H30c 0.9600 . ? C9 C10 1.508(10) . ? C9 C11 1.518(10) . ? C5 H5 0.9300 . ? C5 C4 1.358(12) . ? C10 H10a 0.9600 . ? C10 H10b 0.9600 . ? C10 H10c 0.9600 . ? C18 H18 0.9300 . ? C11 H11a 0.9600 . ? C11 H11b 0.9600 . ? C11 H11c 0.9600 . ? C3 H3a 0.9300 . ? C3 C4 1.370(13) . ? C36 H36 0.9300 . ? C36 C35 1.379(12) . ? C22 H22 0.9300 . ? C22 C23 1.389(12) . ? C35 H35 0.9300 . ? C35 C34 1.362(12) . ? C23 H23 0.9300 . ? C4 H4a 0.9300 . ? C34 H34 0.9300 . ? loop_ _smtbx_masks_void_nr _smtbx_masks_void_average_x _smtbx_masks_void_average_y _smtbx_masks_void_average_z _smtbx_masks_void_volume _smtbx_masks_void_count_electrons _smtbx_masks_void_content 1 -0.223 0.112 0.094 154.5 18.6 '1 methanol' 2 0.223 0.888 0.594 154.5 19.0 '1 methanol' 3 0.277 0.888 0.094 154.5 18.9 '1 methanol' 4 0.723 0.112 0.594 154.5 18.6 '1 methanol'