#------------------------------------------------------------------------------ #$Date: 2021-10-05 02:03:26 +0300 (Tue, 05 Oct 2021) $ #$Revision: 269553 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/85/7708509.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_7708509 loop_ _publ_author_name 'Jayaprakash, Harikrishnan' _publ_section_title ; Mn(i) phosphine-amino-phosphinites: a highly modular class of pincer complexes for enantioselective transfer hydrogenation of aryl-alkyl ketones ; _journal_name_full 'Dalton Transactions' _journal_paper_doi 10.1039/D1DT02257A _journal_year 2021 _chemical_absolute_configuration ad _chemical_formula_moiety 'C39 H37 Br Mn N O3 P2' _chemical_formula_sum 'C39 H37 Br Mn N O3 P2' _chemical_formula_weight 764.48 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2021-05-17 _audit_creation_method ; Olex2 1.3 (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272) ; _audit_update_record ; 2021-05-17 deposited with the CCDC. 2021-10-04 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 108.7480(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.5751(3) _cell_length_b 29.5477(10) _cell_length_c 12.0766(4) _cell_measurement_reflns_used 9917 _cell_measurement_temperature 100.0 _cell_measurement_theta_max 80.481 _cell_measurement_theta_min 2.991 _cell_volume 3573.4(2) _computing_cell_refinement 'SAINT V8.40A (Bruker, 2019)' _computing_data_collection 'Bruker APEX3' _computing_data_reduction 'SAINT V8.40A (Bruker, 2019)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'XS (Sheldrick, 2008)' _diffrn_ambient_temperature 100.0 _diffrn_detector 'Bruker Photon II area detector' _diffrn_detector_area_resol_mean 7.39 _diffrn_detector_type 'CPAD area detector' _diffrn_measured_fraction_theta_full 0.992 _diffrn_measured_fraction_theta_max 0.970 _diffrn_measurement_device 'kappa-stage diffractometer' _diffrn_measurement_device_type 'Bruker D8 Venture' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_monochromator 'double mirror optics' _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_xray_symbol K-L~3~ _diffrn_reflns_av_R_equivalents 0.0456 _diffrn_reflns_av_unetI/netI 0.0446 _diffrn_reflns_Laue_measured_fraction_full 0.992 _diffrn_reflns_Laue_measured_fraction_max 0.970 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 37 _diffrn_reflns_limit_k_min -36 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 53870 _diffrn_reflns_point_group_measured_fraction_full 0.982 _diffrn_reflns_point_group_measured_fraction_max 0.947 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 81.164 _diffrn_reflns_theta_min 2.991 _diffrn_source 'microfocus sealed X-ray tube' _diffrn_source_current 1.0 _diffrn_source_power 0.05 _diffrn_source_type 'Incoatec I\ms' _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 5.460 _exptl_absorpt_correction_T_max 0.7543 _exptl_absorpt_correction_T_min 0.5477 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1351 before and 0.0706 after correction. The Ratio of minimum to maximum transmission is 0.7261. The \l/2 correction factor is Not present. ; _exptl_crystal_colour orange _exptl_crystal_colour_primary orange _exptl_crystal_density_diffrn 1.421 _exptl_crystal_description plate _exptl_crystal_F_000 1568 _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _refine_diff_density_max 0.496 _refine_diff_density_min -0.441 _refine_diff_density_rms 0.085 _refine_ls_abs_structure_details ; Classical Flack method preferred over Parsons because s.u. lower. ; _refine_ls_abs_structure_Flack 0.014(6) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.026 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 873 _refine_ls_number_reflns 14930 _refine_ls_number_restraints 6 _refine_ls_restrained_S_all 1.026 _refine_ls_R_factor_all 0.0537 _refine_ls_R_factor_gt 0.0531 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0392P)^2^+16.1659P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1296 _refine_ls_wR_factor_ref 0.1308 _reflns_Friedel_coverage 0.914 _reflns_Friedel_fraction_full 0.971 _reflns_Friedel_fraction_max 0.923 _reflns_number_gt 14769 _reflns_number_total 14930 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1dt02257a2.cif _cod_data_source_block 3a _cod_database_code 7708509 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.611 _shelx_estimated_absorpt_t_min 0.291 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups, All N(H) groups 2. Restrained distances Mn2-C78A \\sim Mn2-C77 with sigma of 0.01 Mn1-C38 \\sim Mn1-C38A with sigma of 0.01 O1-C38 \\sim O1A-C38A with sigma of 0.01 O4-C77 \\sim O5A-C78A with sigma of 0.01 Mn1-O1 \\sim Mn1-O1A with sigma of 0.02 3. Others Sof(Br2A)=Sof(O5A)=Sof(C78A)=1-FVAR(1) Sof(Br2)=Sof(O5)=Sof(C78)=FVAR(1) Sof(Br1A)=Sof(O1A)=Sof(C38A)=1-FVAR(2) Sof(Br1)=Sof(O1)=Sof(C38)=FVAR(2) 4.a Ternary CH refined with riding coordinates: N1(H1), C20(H20), C21(H21), N2(H2A), C59(H59), C60(H60) 4.b Secondary CH2 refined with riding coordinates: C19(H19A,H19B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A, H25B), C58(H58A,H58B), C61(H61A,H61B), C62(H62A,H62B), C63(H63A,H63B), C64(H64A,H64B) 4.c Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37), C41(H41), C42(H42), C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C66(H66), C67(H67), C68(H68), C69(H69), C70(H70), C72(H72), C73(H73), C74(H74), C75(H75), C76(H76) ; _shelx_res_file ; TITL abscorr_a.res in P2(1) abscorr.res created by SHELXL-2018/3 at 11:54:35 on 17-May-2021 REM Old TITL abscorr in P2(1) REM SHELXT solution in P2(1) REM R1 0.075, Rweak 0.037, Alpha 0.010, Orientation as input REM Flack x = 0.013 ( 0.005 ) from Parsons' quotients REM Formula found by SHELXT: C68 N10 O8 P4 Mn2 Br2A CELL 1.54178 10.5751 29.5477 12.0766 90 108.748 90 ZERR 4 0.0003 0.001 0.0004 0 0.001 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H Br Mn N O P UNIT 156 148 4 4 4 12 8 SADI 0.01 Mn2 C78A Mn2 C77 SADI 0.01 Mn1 C38 Mn1 C38A SADI 0.01 O1 C38 O1A C38A SADI 0.01 O4 C77 O5A C78A SADI Mn1 O1 Mn1 O1A L.S. 20 0 0 PLAN 99 SIZE 0.1 0.2 0.3 TEMP -173.15 CONF BOND $H list 4 MORE -1 fmap 2 53 acta REM REM REM WGHT 0.039200 16.165899 FVAR 0.44256 0.93569 0.91751 PART 1 BR1 3 1.179591 0.355239 0.913335 31.00000 0.01442 0.02322 = 0.02498 -0.00251 0.00396 0.00001 PART 2 BR1A 3 0.670223 0.383286 0.734714 -31.00000 0.04107 PART 0 MN1 4 0.930292 0.368606 0.825221 11.00000 0.01427 0.01625 = 0.01804 -0.00113 0.00381 -0.00036 P1 7 0.953740 0.370161 0.641708 11.00000 0.01694 0.01573 = 0.01969 0.00136 0.00494 0.00099 P2 7 0.912281 0.369065 1.003986 11.00000 0.01677 0.01756 = 0.01852 -0.00174 0.00504 -0.00340 PART 1 O1 6 0.638468 0.370720 0.728107 31.00000 0.01185 0.05120 = 0.03542 -0.00669 0.00040 0.00233 PART 2 O1A 6 1.197370 0.331967 0.860714 -31.00000 0.07462 PART 0 O2 6 0.952095 0.467953 0.829094 11.00000 0.03809 0.01792 = 0.03537 -0.00317 0.01039 0.00077 O3 6 0.896638 0.319164 1.053632 11.00000 0.02699 0.01999 = 0.02449 -0.00246 0.01163 -0.00344 N1 5 0.930758 0.295482 0.817296 11.00000 0.02504 0.01974 = 0.01868 -0.00071 0.00479 -0.00263 AFIX 13 H1 2 1.021822 0.289238 0.812573 11.00000 -1.20000 AFIX 0 C1 1 0.813144 0.393195 0.520637 11.00000 0.01799 0.01944 = 0.03141 0.00451 0.00767 -0.00161 C2 1 0.785753 0.378905 0.405860 11.00000 0.02303 0.03235 = 0.01966 0.00803 0.00714 0.00347 AFIX 43 H2 2 0.836992 0.355142 0.388621 11.00000 -1.20000 AFIX 0 C3 1 0.684251 0.398909 0.315662 11.00000 0.02571 0.03900 = 0.02900 0.01046 0.00705 -0.00176 AFIX 43 H3 2 0.667616 0.389155 0.237303 11.00000 -1.20000 AFIX 0 C4 1 0.607869 0.432875 0.340042 11.00000 0.02310 0.04785 = 0.02709 0.01940 0.00115 0.00675 AFIX 43 H4 2 0.538010 0.446353 0.278606 11.00000 -1.20000 AFIX 0 C5 1 0.633001 0.447312 0.453963 11.00000 0.02839 0.04466 = 0.04802 0.01124 0.00910 0.02001 AFIX 43 H5 2 0.579470 0.470418 0.470861 11.00000 -1.20000 AFIX 0 C6 1 0.736228 0.428154 0.543780 11.00000 0.03128 0.03924 = 0.02969 0.00400 0.00862 0.01395 AFIX 43 H6 2 0.754707 0.438887 0.621532 11.00000 -1.20000 AFIX 0 C7 1 1.092537 0.404679 0.631522 11.00000 0.01943 0.02040 = 0.01792 -0.00182 0.00539 -0.00106 C8 1 1.071372 0.450183 0.598410 11.00000 0.03346 0.02021 = 0.03304 0.00114 0.01158 -0.00146 AFIX 43 H8 2 0.983257 0.462093 0.574176 11.00000 -1.20000 AFIX 0 C9 1 1.177758 0.478078 0.600612 11.00000 0.04803 0.02027 = 0.04220 0.00148 0.01742 -0.01007 AFIX 43 H9 2 1.162395 0.508993 0.578838 11.00000 -1.20000 AFIX 0 C10 1 1.306054 0.460857 0.634496 11.00000 0.03776 0.04275 = 0.03849 -0.01290 0.01655 -0.02262 AFIX 43 H10 2 1.378677 0.479840 0.634826 11.00000 -1.20000 AFIX 0 C11 1 1.328818 0.416151 0.667834 11.00000 0.02433 0.04276 = 0.02967 -0.00895 0.00892 -0.00730 AFIX 43 H11 2 1.417320 0.404587 0.691306 11.00000 -1.20000 AFIX 0 C12 1 1.223255 0.387695 0.667475 11.00000 0.02262 0.02755 = 0.02121 -0.00277 0.00691 0.00335 AFIX 43 H12 2 1.239905 0.357038 0.691429 11.00000 -1.20000 AFIX 0 C13 1 0.978007 0.314564 0.582959 11.00000 0.02063 0.01533 = 0.01984 0.00217 0.00226 0.00157 C14 1 1.048486 0.309922 0.503649 11.00000 0.02272 0.02151 = 0.02242 0.00124 0.00571 0.00181 AFIX 43 H14 2 1.093819 0.335295 0.486059 11.00000 -1.20000 AFIX 0 C15 1 1.052984 0.268716 0.450374 11.00000 0.02499 0.02646 = 0.02037 -0.00142 0.00348 0.00344 AFIX 43 H15 2 1.100121 0.266057 0.395683 11.00000 -1.20000 AFIX 0 C16 1 0.988660 0.231297 0.476840 11.00000 0.03086 0.02174 = 0.02669 -0.00679 0.00025 0.00144 AFIX 43 H16 2 0.989728 0.203224 0.438805 11.00000 -1.20000 AFIX 0 C17 1 0.922507 0.235016 0.559355 11.00000 0.03054 0.02472 = 0.02207 -0.00204 0.00224 -0.00516 AFIX 43 H17 2 0.881466 0.209103 0.579588 11.00000 -1.20000 AFIX 0 C18 1 0.916068 0.276653 0.612663 11.00000 0.01789 0.01755 = 0.01882 -0.00067 -0.00269 -0.00068 C19 1 0.842559 0.278380 0.700568 11.00000 0.02728 0.01819 = 0.02052 -0.00397 0.00467 -0.00876 AFIX 23 H19A 2 0.809978 0.247702 0.710275 11.00000 -1.20000 H19B 2 0.763995 0.298495 0.671096 11.00000 -1.20000 AFIX 0 C20 1 0.924516 0.263092 0.911432 11.00000 0.02172 0.01763 = 0.02204 0.00133 0.00444 -0.00270 AFIX 13 H20 2 0.829346 0.253960 0.896035 11.00000 -1.20000 AFIX 0 C21 1 0.977943 0.282651 1.035081 11.00000 0.02196 0.02151 = 0.02044 -0.00200 0.00162 -0.00064 AFIX 13 H21 2 1.071898 0.293294 1.051095 11.00000 -1.20000 AFIX 0 C22 1 0.972831 0.246758 1.125196 11.00000 0.04659 0.02684 = 0.02474 0.00265 0.00389 0.00234 AFIX 23 H22A 2 1.008556 0.259888 1.204611 11.00000 -1.20000 H22B 2 0.878650 0.238170 1.112095 11.00000 -1.20000 AFIX 0 C23 1 1.052783 0.204394 1.118500 11.00000 0.05624 0.03324 = 0.02962 0.00612 0.00417 0.00994 AFIX 23 H23A 2 1.148618 0.212134 1.138650 11.00000 -1.20000 H23B 2 1.043079 0.181613 1.175340 11.00000 -1.20000 AFIX 0 C24 1 1.002208 0.184918 0.995393 11.00000 0.05605 0.02485 = 0.03375 0.00480 0.00626 0.01163 AFIX 23 H24A 2 0.909457 0.174009 0.978919 11.00000 -1.20000 H24B 2 1.058369 0.158803 0.989549 11.00000 -1.20000 AFIX 0 C25 1 1.006083 0.220613 0.905297 11.00000 0.03868 0.02514 = 0.02419 -0.00302 0.00743 0.00641 AFIX 23 H25A 2 0.970634 0.207315 0.826055 11.00000 -1.20000 H25B 2 1.100011 0.229476 0.918178 11.00000 -1.20000 AFIX 0 C26 1 1.038078 0.397157 1.126274 11.00000 0.01798 0.01724 = 0.02125 -0.00109 0.00380 -0.00036 C27 1 1.125054 0.429476 1.106590 11.00000 0.02205 0.02695 = 0.02189 0.00012 0.00657 -0.00331 AFIX 43 H27 2 1.123494 0.435905 1.029086 11.00000 -1.20000 AFIX 0 C28 1 1.213887 0.452218 1.200514 11.00000 0.02313 0.02094 = 0.02965 -0.00344 0.00527 -0.00779 AFIX 43 H28 2 1.271308 0.474730 1.186888 11.00000 -1.20000 AFIX 0 C29 1 1.218793 0.442199 1.313010 11.00000 0.02846 0.02581 = 0.02411 -0.00315 0.00019 -0.00907 AFIX 43 H29 2 1.281083 0.457240 1.377081 11.00000 -1.20000 AFIX 0 C30 1 1.133023 0.410218 1.332870 11.00000 0.05089 0.03450 = 0.02102 -0.00283 0.00912 -0.01955 AFIX 43 H30 2 1.135779 0.403656 1.410620 11.00000 -1.20000 AFIX 0 C31 1 1.042447 0.387537 1.239295 11.00000 0.03570 0.02426 = 0.02190 -0.00327 0.00876 -0.01221 AFIX 43 H31 2 0.983923 0.365524 1.253354 11.00000 -1.20000 AFIX 0 C32 1 0.758666 0.392646 1.014748 11.00000 0.01729 0.02266 = 0.02227 -0.00050 0.00417 -0.00009 C33 1 0.747905 0.438836 1.034081 11.00000 0.02284 0.02777 = 0.02725 0.00080 0.00762 0.00188 AFIX 43 H33 2 0.824579 0.457668 1.050896 11.00000 -1.20000 AFIX 0 C34 1 0.625217 0.457369 1.028794 11.00000 0.02971 0.03248 = 0.02881 0.00198 0.00822 0.01156 AFIX 43 H34 2 0.618576 0.488876 1.041592 11.00000 -1.20000 AFIX 0 C35 1 0.512781 0.430384 1.005089 11.00000 0.02477 0.05537 = 0.02485 0.00615 0.00642 0.01295 AFIX 43 H35 2 0.429050 0.443152 1.001318 11.00000 -1.20000 AFIX 0 C36 1 0.524009 0.384365 0.986880 11.00000 0.01649 0.04303 = 0.05110 0.00222 0.00751 -0.00289 AFIX 43 H36 2 0.447428 0.365537 0.971118 11.00000 -1.20000 AFIX 0 C37 1 0.644863 0.365720 0.991410 11.00000 0.02298 0.03048 = 0.04223 -0.00534 0.00740 -0.00582 AFIX 43 H37 2 0.650759 0.334188 0.978502 11.00000 -1.20000 AFIX 0 PART 1 C38 1 0.755077 0.370308 0.767282 31.00000 0.02123 0.02601 = 0.02031 0.00118 0.00528 0.00934 PART 2 C38A 1 1.087802 0.343598 0.848881 -31.00000 0.03450 PART 0 C39 1 0.944410 0.428637 0.828791 11.00000 0.01792 0.02632 = 0.01751 -0.00340 0.00586 0.00106 PART 1 BR2 3 0.283216 0.662173 0.276017 21.00000 0.01622 0.01631 = 0.02491 -0.00012 0.00555 0.00168 PART 2 BR2A 3 0.410700 0.552280 0.347002 -21.00000 0.05839 PART 0 MN2 4 0.507889 0.627077 0.381622 11.00000 0.01388 0.01342 = 0.01897 -0.00206 0.00576 -0.00191 P3 7 0.540580 0.617364 0.200275 11.00000 0.01724 0.01467 = 0.01893 -0.00240 0.00663 -0.00220 P4 7 0.482218 0.635461 0.557137 11.00000 0.01731 0.01575 = 0.01986 -0.00182 0.00650 -0.00206 O4 6 0.777023 0.593404 0.506926 11.00000 0.01544 0.04896 = 0.02598 0.00152 0.00193 0.00511 PART 1 O5 6 0.406782 0.533398 0.367965 21.00000 0.02827 0.01181 = 0.03475 0.00305 0.00848 -0.00615 PART 2 O5A 6 0.217018 0.637021 0.303249 -21.00000 0.04761 PART 0 O6 6 0.535525 0.683663 0.618021 11.00000 0.02879 0.01853 = 0.02100 -0.00019 0.00791 -0.00291 N2 5 0.575036 0.697206 0.381060 11.00000 0.01739 0.01600 = 0.01890 -0.00242 0.00693 -0.00194 AFIX 13 H2A 2 0.498503 0.710841 0.318091 11.00000 -1.20000 AFIX 0 C40 1 0.422534 0.583462 0.084385 11.00000 0.02512 0.01488 = 0.02355 -0.00001 0.00993 0.00097 C41 1 0.294980 0.573265 0.087693 11.00000 0.02442 0.02332 = 0.02099 -0.00108 0.00630 -0.00156 AFIX 43 H41 2 0.268023 0.583622 0.151145 11.00000 -1.20000 AFIX 0 C42 1 0.207291 0.548094 -0.001123 11.00000 0.02827 0.02919 = 0.02504 -0.00363 0.00647 -0.00827 AFIX 43 H42 2 0.120119 0.541733 0.001195 11.00000 -1.20000 AFIX 0 C43 1 0.245968 0.532236 -0.092843 11.00000 0.03060 0.02446 = 0.02536 -0.00549 0.00036 -0.00754 AFIX 43 H43 2 0.185992 0.514598 -0.152762 11.00000 -1.20000 AFIX 0 C44 1 0.372721 0.542079 -0.097540 11.00000 0.03910 0.02482 = 0.02362 -0.00521 0.01150 -0.00079 AFIX 43 H44 2 0.398976 0.531637 -0.161295 11.00000 -1.20000 AFIX 0 C45 1 0.460440 0.567128 -0.009053 11.00000 0.02469 0.01911 = 0.02712 -0.00242 0.01065 -0.00007 AFIX 43 H45 2 0.547552 0.573322 -0.011752 11.00000 -1.20000 AFIX 0 C46 1 0.700887 0.589246 0.212336 11.00000 0.02021 0.02570 = 0.01626 -0.00650 0.00571 -0.00317 C47 1 0.718332 0.544701 0.255266 11.00000 0.02469 0.02317 = 0.03012 -0.00355 0.00972 0.00043 AFIX 43 H47 2 0.648205 0.529987 0.274396 11.00000 -1.20000 AFIX 0 C48 1 0.837830 0.522091 0.269843 11.00000 0.03176 0.02492 = 0.03509 -0.00284 0.00724 0.00510 AFIX 43 H48 2 0.848709 0.491793 0.297636 11.00000 -1.20000 AFIX 0 C49 1 0.940680 0.543621 0.243972 11.00000 0.02189 0.03961 = 0.02886 -0.00385 0.00748 0.00778 AFIX 43 H49 2 1.022458 0.528095 0.254872 11.00000 -1.20000 AFIX 0 C50 1 0.926014 0.587451 0.202448 11.00000 0.02364 0.04128 = 0.04053 -0.00400 0.01614 0.00194 AFIX 43 H50 2 0.997095 0.602003 0.184421 11.00000 -1.20000 AFIX 0 C51 1 0.805304 0.610411 0.187008 11.00000 0.02714 0.02711 = 0.02985 0.00007 0.01546 -0.00001 AFIX 43 H51 2 0.795126 0.640679 0.158991 11.00000 -1.20000 AFIX 0 C52 1 0.552415 0.670971 0.128306 11.00000 0.02223 0.01434 = 0.02474 -0.00251 0.01099 -0.00131 C53 1 0.490972 0.678343 0.009361 11.00000 0.04022 0.01789 = 0.02576 0.00067 0.00592 -0.00563 AFIX 43 H53 2 0.438496 0.655066 -0.037833 11.00000 -1.20000 AFIX 0 C54 1 0.505669 0.719634 -0.041373 11.00000 0.05851 0.02884 = 0.02401 0.00254 0.00616 -0.00390 AFIX 43 H54 2 0.461041 0.724640 -0.122260 11.00000 -1.20000 AFIX 0 C55 1 0.584220 0.752921 0.025141 11.00000 0.06167 0.02266 = 0.03140 0.00194 0.01660 -0.01322 AFIX 43 H55 2 0.597789 0.780438 -0.010137 11.00000 -1.20000 AFIX 0 C56 1 0.643797 0.746288 0.144078 11.00000 0.03817 0.02351 = 0.02774 -0.00570 0.01513 -0.01120 AFIX 43 H56 2 0.696591 0.769777 0.190064 11.00000 -1.20000 AFIX 0 C57 1 0.628049 0.705996 0.197702 11.00000 0.02435 0.01872 = 0.02286 -0.00230 0.01177 -0.00455 C58 1 0.685973 0.700586 0.327904 11.00000 0.02271 0.02186 = 0.02220 -0.00354 0.01135 -0.00616 AFIX 23 H58A 2 0.743581 0.726864 0.361572 11.00000 -1.20000 H58B 2 0.741668 0.672928 0.346369 11.00000 -1.20000 AFIX 0 C59 1 0.596041 0.731460 0.477429 11.00000 0.01998 0.01776 = 0.01847 -0.00463 0.00480 -0.00171 AFIX 13 H59 2 0.689834 0.728436 0.531270 11.00000 -1.20000 AFIX 0 C60 1 0.501413 0.724455 0.549074 11.00000 0.02332 0.01781 = 0.02408 -0.00131 0.00891 -0.00311 AFIX 13 H60 2 0.407309 0.722407 0.495338 11.00000 -1.20000 AFIX 0 C61 1 0.512218 0.761949 0.638648 11.00000 0.03100 0.02289 = 0.03136 0.00061 0.01304 0.00087 AFIX 23 H61A 2 0.442791 0.757196 0.676299 11.00000 -1.20000 H61B 2 0.600392 0.759871 0.700187 11.00000 -1.20000 AFIX 0 C62 1 0.495995 0.809293 0.585230 11.00000 0.04237 0.02106 = 0.03027 -0.00445 0.01551 0.00445 AFIX 23 H62A 2 0.403978 0.813038 0.530795 11.00000 -1.20000 H62B 2 0.510845 0.832239 0.647861 11.00000 -1.20000 AFIX 0 C63 1 0.595217 0.816413 0.519934 11.00000 0.03859 0.02038 = 0.03058 -0.00294 0.01331 -0.00174 AFIX 23 H63A 2 0.687268 0.815405 0.575641 11.00000 -1.20000 H63B 2 0.580921 0.846554 0.482125 11.00000 -1.20000 AFIX 0 C64 1 0.577992 0.779579 0.426876 11.00000 0.02604 0.01913 = 0.02528 -0.00073 0.00873 -0.00372 AFIX 23 H64A 2 0.643852 0.784690 0.385568 11.00000 -1.20000 H64B 2 0.487705 0.782240 0.368712 11.00000 -1.20000 AFIX 0 C65 1 0.322128 0.628948 0.583351 11.00000 0.02103 0.01777 = 0.02567 0.00497 0.00920 0.00264 C66 1 0.315062 0.642669 0.692985 11.00000 0.02251 0.03309 = 0.01821 -0.00310 0.00746 0.00041 AFIX 43 H66 2 0.389893 0.656893 0.747612 11.00000 -1.20000 AFIX 0 C67 1 0.199705 0.635575 0.721813 11.00000 0.02821 0.03708 = 0.02783 0.00246 0.01356 0.00528 AFIX 43 H67 2 0.195477 0.645331 0.795497 11.00000 -1.20000 AFIX 0 C68 1 0.091163 0.614387 0.643694 11.00000 0.01996 0.02952 = 0.03301 0.00537 0.01345 0.00372 AFIX 43 H68 2 0.013417 0.608654 0.664651 11.00000 -1.20000 AFIX 0 C69 1 0.095511 0.601451 0.534548 11.00000 0.01657 0.02501 = 0.03086 0.00006 0.00762 -0.00058 AFIX 43 H69 2 0.019281 0.588084 0.479583 11.00000 -1.20000 AFIX 0 C70 1 0.211310 0.608005 0.505338 11.00000 0.02138 0.02158 = 0.02488 -0.00310 0.00979 -0.00162 AFIX 43 H70 2 0.214637 0.598087 0.431497 11.00000 -1.20000 AFIX 0 C71 1 0.587257 0.599268 0.674286 11.00000 0.01780 0.02131 = 0.02121 0.00299 0.00622 0.00219 C72 1 0.684320 0.615988 0.769542 11.00000 0.05364 0.02385 = 0.04461 0.00127 -0.01917 -0.00449 AFIX 43 H72 2 0.698711 0.647734 0.777173 11.00000 -1.20000 AFIX 0 C73 1 0.762544 0.587190 0.855685 11.00000 0.05948 0.04066 = 0.04979 0.00241 -0.02803 -0.00825 AFIX 43 H73 2 0.831111 0.599434 0.920348 11.00000 -1.20000 AFIX 0 C74 1 0.741891 0.541833 0.848266 11.00000 0.03046 0.03510 = 0.03320 0.01118 0.00489 0.01230 AFIX 43 H74 2 0.795294 0.522363 0.907542 11.00000 -1.20000 AFIX 0 C75 1 0.642858 0.524269 0.754077 11.00000 0.04113 0.02271 = 0.03796 0.01174 0.00599 0.00224 AFIX 43 H75 2 0.626990 0.492573 0.748606 11.00000 -1.20000 AFIX 0 C76 1 0.565977 0.552904 0.666873 11.00000 0.03144 0.02344 = 0.03703 0.00368 -0.00326 -0.00391 AFIX 43 H76 2 0.498302 0.540582 0.601674 11.00000 -1.20000 AFIX 0 C77 1 0.672413 0.606778 0.456417 11.00000 0.02529 0.02316 = 0.01847 -0.00093 0.00781 -0.00194 PART 1 C78 1 0.446312 0.571478 0.373346 21.00000 0.01473 0.01564 = 0.02188 -0.00203 0.00696 -0.00211 PART 2 C78A 1 0.330324 0.632590 0.325716 -21.00000 0.04819 HKLF 4 REM abscorr_a.res in P2(1) REM wR2 = 0.130810, GooF = S = 1.02630, Restrained GooF = 1.02608 for all data REM R1 = 0.053059 for 14769 Fo > 4sig(Fo) and 0.053698 for all 14930 data REM 873 parameters refined using 6 restraints END WGHT 0.0392 16.1660 REM Highest difference peak 0.496, deepest hole -0.441, 1-sigma level 0.085 Q1 1 0.2830 0.6727 0.1762 11.00000 0.05 0.50 Q2 1 1.1955 0.3677 1.0208 11.00000 0.05 0.48 Q3 1 1.1357 0.3536 0.8012 11.00000 0.05 0.47 Q4 1 0.4647 0.5989 0.4188 11.00000 0.05 0.46 Q5 1 1.2402 0.3806 0.9556 11.00000 0.05 0.45 Q6 1 0.5091 0.6237 0.4918 11.00000 0.05 0.43 Q7 1 1.1701 0.3480 0.8054 11.00000 0.05 0.43 Q8 1 0.4835 0.6395 0.3200 11.00000 0.05 0.38 Q9 1 1.1385 0.3825 0.9433 11.00000 0.05 0.38 Q10 1 0.3278 0.6576 0.3941 11.00000 0.05 0.38 Q11 1 0.1861 0.6423 0.2171 11.00000 0.05 0.37 Q12 1 0.9948 0.3355 0.6055 11.00000 0.05 0.37 Q13 1 0.4795 0.7788 0.5953 11.00000 0.05 0.36 Q14 1 0.2390 0.7021 0.3129 11.00000 0.05 0.36 Q15 1 0.1933 0.6784 0.2266 11.00000 0.05 0.34 Q16 1 0.4426 0.6437 0.4283 11.00000 0.05 0.33 Q17 1 0.4927 0.6346 0.1396 11.00000 0.05 0.33 Q18 1 0.9589 0.3769 0.5245 11.00000 0.05 0.33 Q19 1 0.2618 0.6788 0.6940 11.00000 0.05 0.33 Q20 1 1.1220 0.3208 0.9420 11.00000 0.05 0.32 Q21 1 1.2128 0.3194 0.9617 11.00000 0.05 0.32 Q22 1 0.9384 0.3733 0.7254 11.00000 0.05 0.32 Q23 1 0.4062 0.6051 0.4942 11.00000 0.05 0.32 Q24 1 1.1088 0.6146 0.1191 11.00000 0.05 0.32 Q25 1 0.4326 0.5965 0.3397 11.00000 0.05 0.31 Q26 1 0.4859 0.6586 0.5128 11.00000 0.05 0.31 Q27 1 0.8891 0.2413 0.7984 11.00000 0.05 0.31 Q28 1 0.8186 0.3771 0.4593 11.00000 0.05 0.30 Q29 1 0.9163 0.5613 0.1568 11.00000 0.05 0.30 Q30 1 0.3690 0.6392 0.3224 11.00000 0.05 0.30 Q31 1 1.1002 0.2024 0.9876 11.00000 0.05 0.29 Q32 1 0.4871 0.6829 0.7371 11.00000 0.05 0.29 Q33 1 0.4240 0.8547 0.6669 11.00000 0.05 0.29 Q34 1 0.6582 0.3772 0.8360 11.00000 0.05 0.29 Q35 1 0.5165 0.6202 0.2780 11.00000 0.05 0.28 Q36 1 0.3793 0.6607 -0.0423 11.00000 0.05 0.28 Q37 1 0.9056 0.3784 0.9194 11.00000 0.05 0.28 Q38 1 0.2681 0.6702 0.3833 11.00000 0.05 0.28 Q39 1 0.8804 0.2373 0.7198 11.00000 0.05 0.28 Q40 1 0.5677 0.6242 0.3155 11.00000 0.05 0.28 Q41 1 0.2605 0.5805 0.3948 11.00000 0.05 0.28 Q42 1 0.8830 0.3563 0.8892 11.00000 0.05 0.28 Q43 1 0.1792 0.6694 0.2985 11.00000 0.05 0.28 Q44 1 1.2518 0.3269 0.8862 11.00000 0.05 0.28 Q45 1 1.0118 0.4033 0.8370 11.00000 0.05 0.28 Q46 1 1.4125 0.3373 0.7589 11.00000 0.05 0.27 Q47 1 1.0145 0.3974 0.6219 11.00000 0.05 0.27 Q48 1 0.7631 0.1986 0.6023 11.00000 0.05 0.27 Q49 1 0.2872 0.6183 0.3157 11.00000 0.05 0.27 Q50 1 0.2852 0.6025 0.5443 11.00000 0.05 0.27 Q51 1 0.8331 0.1986 0.4798 11.00000 0.05 0.27 Q52 1 0.8828 0.3963 0.5590 11.00000 0.05 0.27 Q53 1 0.2410 0.6212 0.2274 11.00000 0.05 0.27 Q54 1 0.7654 0.6350 0.5208 11.00000 0.05 0.27 Q55 1 0.5766 0.6583 0.3411 11.00000 0.05 0.27 Q56 1 0.3112 0.6770 0.2331 11.00000 0.05 0.27 Q57 1 1.1394 0.5837 0.2855 11.00000 0.05 0.27 Q58 1 0.6809 0.4614 0.4471 11.00000 0.05 0.26 Q59 1 0.1415 0.6468 0.4428 11.00000 0.05 0.26 Q60 1 0.5615 0.6014 0.4290 11.00000 0.05 0.26 Q61 1 0.7854 0.7775 0.2024 11.00000 0.05 0.26 Q62 1 0.4039 0.5795 0.1756 11.00000 0.05 0.26 Q63 1 0.8412 0.6419 0.1312 11.00000 0.05 0.26 Q64 1 0.5230 0.6812 0.6649 11.00000 0.05 0.26 Q65 1 1.2262 0.3718 1.1031 11.00000 0.05 0.26 Q66 1 0.7512 0.5036 0.5438 11.00000 0.05 0.26 Q67 1 0.9933 0.3349 1.1376 11.00000 0.05 0.26 Q68 1 0.2466 0.5121 -0.1675 11.00000 0.05 0.26 Q69 1 0.2370 0.6215 0.4021 11.00000 0.05 0.26 Q70 1 0.5416 0.6174 0.5782 11.00000 0.05 0.26 Q71 1 1.0313 0.2410 0.8829 11.00000 0.05 0.26 Q72 1 0.5100 0.5755 0.6819 11.00000 0.05 0.26 Q73 1 0.7017 0.4027 0.6957 11.00000 0.05 0.26 Q74 1 1.0497 0.6364 0.1850 11.00000 0.05 0.26 Q75 1 0.2871 0.6540 0.2982 11.00000 0.05 0.25 Q76 1 0.3065 0.5203 0.2986 11.00000 0.05 0.25 Q77 1 0.5678 0.6602 0.4362 11.00000 0.05 0.25 Q78 1 1.0511 0.3933 0.9940 11.00000 0.05 0.25 Q79 1 1.2258 0.4194 1.3381 11.00000 0.05 0.25 Q80 1 0.8992 0.2441 0.6530 11.00000 0.05 0.25 Q81 1 0.9795 0.3448 0.8972 11.00000 0.05 0.25 Q82 1 1.0610 0.2788 0.4168 11.00000 0.05 0.25 Q83 1 1.0879 0.4199 0.6383 11.00000 0.05 0.25 Q84 1 1.0943 0.6118 0.1934 11.00000 0.05 0.25 Q85 1 0.4926 0.7174 0.3629 11.00000 0.05 0.25 Q86 1 0.3894 0.7193 0.3418 11.00000 0.05 0.25 Q87 1 0.6711 0.4017 1.0422 11.00000 0.05 0.25 Q88 1 1.3219 0.5212 1.2340 11.00000 0.05 0.25 Q89 1 0.4628 0.3474 0.8864 11.00000 0.05 0.25 Q90 1 0.3922 0.3809 0.8397 11.00000 0.05 0.25 Q91 1 0.6664 0.4393 1.0130 11.00000 0.05 0.25 Q92 1 1.2463 0.3825 1.1984 11.00000 0.05 0.25 Q93 1 0.4736 0.6631 0.6644 11.00000 0.05 0.24 Q94 1 0.1746 0.5826 0.2098 11.00000 0.05 0.24 Q95 1 0.3524 0.6450 0.2348 11.00000 0.05 0.24 Q96 1 0.6770 0.5004 1.0984 11.00000 0.05 0.24 Q97 1 0.4082 0.4004 0.2825 11.00000 0.05 0.24 Q98 1 1.2783 0.3420 0.9760 11.00000 0.05 0.24 Q99 1 0.5060 0.7581 0.2972 11.00000 0.05 0.24 ; _shelx_res_checksum 77207 _shelx_hkl_file ; -1 0 0 25.30 3.10 1 0 0 28.70 3.30 1 0 0 31.10 1.80 -3 0 0 95.19 10.80 3 0 0 89.09 10.70 3 0 0 102.29 5.90 4 0 0 3041.70 168.98 -4 0 0 2687.93 163.68 5 0 0 1043.20 70.19 5 0 0 936.41 49.90 -5 0 0 847.02 52.19 5 0 0 898.01 62.29 5 0 0 850.71 57.49 -6 0 0 14.30 4.30 6 0 0 15.50 2.30 6 0 0 10.90 6.70 6 0 0 14.00 8.00 -6 0 0 9.80 3.70 -7 0 0 1486.75 87.89 7 0 0 1544.75 94.99 7 0 0 1546.45 92.79 7 0 0 1605.54 106.89 -7 0 0 1523.55 87.29 7 0 0 1507.65 84.39 8 0 0 680.13 45.20 -8 0 0 732.73 46.30 8 0 0 725.73 52.69 8 0 0 721.43 50.39 -8 0 0 762.92 45.60 9 0 0 1232.98 76.09 -9 0 0 1247.08 72.69 -9 0 0 1187.78 71.29 9 0 0 1166.28 78.49 -10 0 0 197.38 17.20 10 0 0 215.88 21.10 -10 0 0 199.58 18.20 10 0 0 228.68 23.40 -11 0 0 45.00 10.20 11 0 0 41.40 9.10 -11 0 0 55.19 8.60 -12 0 0 43.10 5.90 12 0 0 46.70 6.50 12 0 0 39.20 3.00 1 -1 0 319.97 20.80 1 -1 0 336.37 17.10 1 -1 0 330.77 19.10 -1 -1 0 277.57 19.20 -1 1 0 376.96 23.00 1 1 0 405.86 21.00 2 -1 0 2076.79 118.19 3 -1 0 1280.37 75.29 -3 -1 0 1056.19 70.29 3 -1 0 1180.48 70.49 3 -1 0 1218.68 63.59 3 1 0 1438.26 74.49 3 1 0 1275.07 81.09 -3 1 0 1441.96 81.89 4 -1 0 5956.30 333.17 4 1 0 7602.04 419.26 -5 -1 0 961.00 63.69 5 -1 0 1258.97 61.39 5 -1 0 1085.09 75.89 5 -1 0 1195.38 74.59 -5 1 0 1062.29 58.79 5 1 0 925.21 63.49 5 1 0 1061.69 56.39 5 1 0 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8.80 12 -1 0 88.89 5.90 12 -1 0 100.19 9.00 -12 1 0 114.39 9.40 12 1 0 92.09 6.00 12 1 0 95.59 9.50 0 -2 0 505.25 28.50 0 2 0 449.26 25.60 3 -2 0 295.17 24.00 -3 -2 0 377.56 26.70 3 -2 0 322.57 18.80 3 -2 0 369.66 29.50 3 2 0 293.17 22.70 -3 2 0 257.77 21.50 3 2 0 308.37 16.10 4 -2 0 3776.12 218.08 -4 2 0 3595.14 202.78 5 -2 0 1632.74 87.89 -5 -2 0 1504.15 92.29 5 -2 0 1748.23 101.79 5 2 0 1319.87 87.69 5 2 0 1584.24 99.59 -5 2 0 1526.45 82.89 5 2 0 1525.95 80.49 5 2 0 1485.95 94.79 6 -2 0 310.77 31.20 6 -2 0 323.67 18.20 6 -2 0 278.67 25.50 -6 -2 0 295.27 21.60 -6 -2 0 323.77 21.50 6 2 0 547.85 53.89 -6 2 0 414.46 30.70 6 2 0 552.84 27.90 -6 2 0 439.06 30.20 6 2 0 505.45 37.20 -7 -2 0 1049.09 64.69 7 -2 0 1197.28 82.99 7 -2 0 1076.79 61.09 7 -2 0 1071.09 70.59 7 -2 0 1103.39 68.79 -7 -2 0 1010.40 63.69 7 -2 0 1160.58 60.19 7 2 0 962.30 65.59 -7 2 0 1076.09 61.49 7 2 0 997.00 67.79 7 2 0 970.90 57.39 -7 2 0 1075.29 60.49 7 2 0 1073.19 79.79 -8 -2 0 495.05 31.60 8 -2 0 421.36 34.60 -8 -2 0 488.55 32.20 8 -2 0 428.26 36.80 8 -2 0 448.76 27.90 -8 2 0 444.86 31.30 8 2 0 534.15 32.20 8 2 0 467.85 37.00 8 2 0 471.05 39.20 -8 2 0 466.25 32.70 -9 -2 0 136.49 15.30 -9 -2 0 127.19 14.10 9 -2 0 149.69 18.10 9 -2 0 137.79 19.10 -9 2 0 172.98 16.40 9 2 0 141.49 20.70 9 2 0 147.09 19.70 -9 2 0 162.18 14.90 -10 -2 0 370.16 27.50 -10 -2 0 366.66 26.80 10 -2 0 385.06 29.90 10 -2 0 424.16 33.20 10 2 0 428.16 33.80 -10 2 0 437.16 30.70 10 2 0 460.05 36.50 11 -2 0 50.99 4.50 11 -2 0 45.60 9.30 -11 -2 0 58.99 8.00 -11 -2 0 62.69 8.90 11 2 0 18.00 6.70 -11 2 0 24.50 6.80 11 2 0 27.30 8.60 -12 -2 0 141.79 12.50 12 -2 0 169.28 12.20 12 2 0 111.49 7.30 12 2 0 126.39 10.80 -12 2 0 137.29 11.10 0 -3 0 1.20 0.80 0 3 0 0.60 0.70 -1 -3 0 324.47 19.40 1 -3 0 271.27 20.20 1 -3 0 272.17 17.70 1 3 0 271.47 17.90 1 3 0 267.57 16.10 3 -3 0 3875.91 219.38 4 -3 0 341.07 31.80 4 -3 0 312.07 26.00 4 -3 0 299.97 17.90 4 3 0 224.28 21.90 -4 3 0 263.27 22.10 4 3 0 194.88 13.00 -5 -3 0 675.63 39.60 5 -3 0 647.04 48.00 5 -3 0 662.93 36.70 5 3 0 717.23 38.80 5 3 0 748.63 53.09 5 3 0 635.94 45.80 -6 -3 0 246.08 18.30 6 -3 0 214.98 25.60 6 -3 0 223.38 21.60 -6 -3 0 282.37 18.50 -6 3 0 224.88 17.80 6 3 0 237.38 15.50 6 3 0 251.07 23.30 -6 3 0 227.58 17.20 6 3 0 263.47 14.80 6 3 0 261.97 29.30 6 3 0 247.08 27.30 7 -3 0 188.28 21.30 -7 -3 0 243.18 17.50 7 -3 0 213.78 13.40 7 -3 0 205.88 27.60 -7 -3 0 241.08 18.20 7 -3 0 177.18 14.30 7 -3 0 204.88 20.30 7 3 0 199.08 13.90 7 3 0 231.18 30.00 7 3 0 222.68 23.00 -7 3 0 186.18 16.80 7 3 0 213.78 21.70 -7 3 0 176.88 15.60 -8 -3 0 979.80 60.59 -8 -3 0 959.60 60.99 8 -3 0 1089.09 65.39 8 -3 0 1038.20 67.59 -8 3 0 1037.60 58.79 -8 3 0 1025.80 59.99 8 3 0 913.91 66.39 8 3 0 935.01 56.89 9 -3 0 11.70 8.30 9 -3 0 6.70 6.80 -9 3 0 39.70 8.00 9 3 0 61.29 15.00 9 3 0 58.29 13.30 -9 3 0 38.80 9.60 -10 -3 0 187.88 17.50 10 -3 0 199.68 21.50 -10 -3 0 194.28 16.90 10 -3 0 188.98 19.20 -10 3 0 206.08 18.50 -10 3 0 220.58 18.30 10 3 0 227.08 22.50 10 3 0 226.88 24.10 -11 -3 0 132.59 12.20 -11 -3 0 117.09 11.20 11 -3 0 93.69 7.70 11 -3 0 98.09 12.30 11 3 0 61.09 11.10 -11 3 0 53.39 8.40 12 -3 0 208.38 14.40 -12 -3 0 194.18 17.90 12 3 0 160.28 9.10 12 3 0 152.38 12.40 1 -4 0 628.44 34.00 -1 -4 0 548.15 32.90 -1 -4 0 557.54 35.10 -1 4 0 548.25 34.60 1 4 0 508.05 31.80 1 4 0 511.55 30.20 -2 -4 0 646.44 43.30 2 -4 0 743.93 42.10 2 -4 0 673.13 46.10 2 -4 0 715.63 37.80 2 4 0 468.25 32.50 -2 4 0 540.55 32.10 2 4 0 491.45 29.30 -3 -4 0 2538.35 138.79 3 -4 0 2160.08 137.69 -3 4 0 2004.50 118.59 3 4 0 2177.68 115.09 4 -4 0 1951.50 117.09 4 -4 0 2194.88 126.39 4 -4 0 1880.81 107.59 -4 4 0 1962.20 107.99 4 4 0 1726.63 96.59 4 4 0 1707.43 107.89 5 -4 0 2065.29 124.79 5 -4 0 1982.80 120.79 5 -4 0 2104.49 111.99 -5 -4 0 2164.68 115.19 5 4 0 2305.87 138.59 -5 4 0 2171.88 124.89 5 4 0 2165.18 130.39 5 4 0 2233.18 122.59 5 4 0 2539.55 129.09 6 -4 0 245.28 20.80 -6 -4 0 227.58 18.00 6 -4 0 287.77 15.50 -6 -4 0 218.88 18.20 6 -4 0 238.28 16.00 6 -4 0 256.87 22.50 6 -4 0 265.37 27.60 6 4 0 266.77 30.20 -6 4 0 284.57 18.80 6 4 0 249.48 16.40 6 4 0 242.18 22.60 -6 4 0 269.57 19.60 6 4 0 258.77 24.20 7 -4 0 874.21 59.79 7 -4 0 998.70 54.19 -7 -4 0 1113.69 58.89 7 -4 0 970.00 63.79 7 -4 0 869.81 54.59 7 -4 0 984.80 74.39 -7 -4 0 1098.29 59.59 7 -4 0 894.11 60.99 7 4 0 1064.29 68.09 7 4 0 1092.69 80.39 -7 4 0 901.11 59.69 7 4 0 1039.20 56.49 -7 4 0 896.11 58.49 7 4 0 1076.99 66.29 8 -4 0 901.71 54.49 -8 -4 0 759.02 50.49 8 -4 0 914.61 57.19 -8 -4 0 696.63 49.30 -8 4 0 841.82 46.60 8 4 0 641.54 53.09 8 4 0 744.53 45.90 8 4 0 630.14 50.79 -8 4 0 836.02 47.80 -9 -4 0 191.88 17.60 9 -4 0 155.08 20.10 9 -4 0 155.18 18.70 -9 -4 0 184.08 16.80 -9 4 0 227.78 20.00 9 4 0 254.07 26.70 -9 4 0 219.38 18.30 9 4 0 230.68 24.70 -10 -4 0 83.79 11.80 -10 -4 0 80.39 11.10 10 4 0 77.99 15.20 10 4 0 69.99 14.30 11 -4 0 63.19 9.80 11 -4 0 71.39 4.90 -11 -4 0 66.39 8.70 -11 -4 0 68.79 9.40 -11 4 0 73.19 9.40 11 4 0 62.59 11.90 11 4 0 54.79 10.90 -12 -4 0 124.09 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300.37 25.80 7 5 0 276.37 34.00 -7 5 0 237.68 18.50 7 5 0 238.08 16.90 -7 5 0 240.18 19.70 -8 -5 0 30.50 8.00 -8 -5 0 34.60 9.00 8 5 0 22.40 10.90 -8 5 0 7.50 4.30 8 5 0 22.00 9.90 -8 5 0 9.00 5.60 -9 -5 0 47.10 10.30 9 -5 0 71.89 13.00 9 -5 0 72.09 14.10 -9 -5 0 55.99 9.90 9 5 0 38.80 11.80 -9 5 0 66.99 9.20 9 5 0 61.89 15.60 -9 5 0 66.19 10.90 10 -5 0 110.59 7.40 -10 -5 0 97.49 12.80 -10 -5 0 98.49 12.70 10 -5 0 108.59 14.20 10 5 0 98.19 16.20 -10 5 0 131.29 13.60 10 5 0 127.29 18.70 11 -5 0 11.90 1.80 -11 -5 0 6.20 4.70 -11 -5 0 6.50 4.20 11 -5 0 8.90 5.10 11 5 0 -1.70 5.20 11 5 0 7.90 6.90 12 -5 0 116.29 9.10 -12 -5 0 93.19 8.30 12 5 0 82.59 8.60 -12 5 0 97.49 7.90 12 5 0 81.59 5.60 1 -6 0 1884.71 107.69 -1 6 0 2042.60 117.49 2 -6 0 708.23 36.20 -2 -6 0 555.74 41.80 2 -6 0 647.84 45.20 2 -6 0 710.53 40.50 -2 6 0 511.75 36.10 2 6 0 385.66 30.00 2 6 0 445.86 27.50 -3 -6 0 550.74 40.10 3 -6 0 557.94 30.60 3 -6 0 551.54 36.30 3 -6 0 539.45 45.80 3 6 0 596.14 36.10 4 -6 0 572.24 30.60 4 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95.09 16.50 8 -7 0 724.13 49.90 -8 -7 0 698.63 45.50 8 7 0 731.03 50.39 8 7 0 607.04 53.49 -8 7 0 698.53 44.00 -8 7 0 687.93 42.50 9 -7 0 131.09 8.80 9 -7 0 129.19 15.90 -9 -7 0 131.39 14.80 -9 -7 0 138.49 14.90 -9 7 0 159.48 16.00 9 7 0 162.28 20.90 9 7 0 159.58 21.70 10 -7 0 225.18 19.20 -10 -7 0 195.78 18.40 -10 -7 0 208.58 20.10 10 -7 0 212.58 12.40 -10 7 0 182.98 16.40 10 7 0 160.58 19.70 10 7 0 176.68 27.30 -11 -7 0 269.17 20.40 -11 -7 0 260.77 20.10 11 -7 0 329.07 21.10 11 7 0 230.38 20.40 11 7 0 239.48 22.30 -11 7 0 283.67 19.30 -12 -7 0 63.79 5.90 12 -7 0 60.99 8.50 12 7 0 65.39 9.90 -12 7 0 62.49 5.90 12 7 0 70.59 4.50 0 -8 0 3321.27 182.98 -1 -8 0 917.91 55.49 1 -8 0 1001.70 59.89 -1 -8 0 935.41 58.19 1 8 0 1063.99 60.49 -1 8 0 958.40 64.29 -2 -8 0 839.32 53.49 2 -8 0 772.12 49.20 2 -8 0 841.82 64.19 -2 8 0 460.65 40.30 2 8 0 603.64 34.70 3 -8 0 1036.50 64.09 3 -8 0 1070.19 57.69 4 -8 0 351.56 20.30 4 -8 0 323.87 27.10 4 8 0 349.47 31.40 4 8 0 355.86 25.20 5 -8 0 823.62 55.09 5 -8 0 902.81 49.80 -5 -8 0 969.10 53.29 5 -8 0 981.80 62.79 5 -8 0 817.62 55.19 5 8 0 1246.68 72.39 -5 8 0 1106.89 66.29 6 -8 0 722.83 47.10 -6 -8 0 693.53 45.70 6 -8 0 786.72 42.30 6 -8 0 784.52 56.99 -6 -8 0 714.63 45.30 6 -8 0 753.62 41.60 6 -8 0 726.13 48.30 6 -8 0 735.13 47.80 6 8 0 619.74 43.30 6 8 0 589.54 44.10 6 8 0 624.14 35.60 -6 8 0 618.14 39.00 -6 8 0 643.24 37.90 7 -8 0 2567.24 130.69 7 -8 0 2331.37 136.39 -7 -8 0 2270.17 135.09 7 -8 0 2398.16 137.19 7 -8 0 2499.95 139.49 -7 -8 0 2393.96 135.09 7 8 0 2019.10 122.69 -7 8 0 2090.09 113.59 7 8 0 1997.40 120.49 -7 8 0 2003.30 114.69 -8 -8 0 350.06 26.20 -8 -8 0 332.77 25.40 8 8 0 302.67 31.00 8 8 0 319.17 18.60 8 8 0 319.47 29.80 9 -8 0 177.78 18.30 -9 -8 0 184.08 17.40 -9 -8 0 181.88 17.70 9 8 0 263.87 26.80 -9 8 0 248.68 21.00 9 8 0 282.97 28.60 10 -8 0 24.00 7.00 -10 -8 0 18.20 6.80 -10 -8 0 17.10 6.80 10 8 0 5.00 8.00 -10 8 0 9.10 5.20 10 8 0 1.80 6.40 -11 -8 0 18.30 5.80 -11 -8 0 21.40 6.70 11 -8 0 20.40 5.20 11 8 0 40.10 10.20 -11 8 0 44.40 7.60 11 8 0 41.10 9.30 -12 -8 0 257.47 16.10 12 -8 0 271.77 16.70 12 8 0 238.78 13.70 12 8 0 251.57 16.60 0 -9 0 4.80 2.40 0 9 0 6.50 3.60 -1 9 0 4371.46 245.18 2 -9 0 64.39 11.40 2 -9 0 76.39 8.70 2 9 0 96.29 10.50 3 -9 0 2081.49 108.29 3 -9 0 1924.01 114.99 3 9 0 1590.24 81.69 -3 9 0 1174.28 90.59 4 -9 0 2844.32 165.68 4 -9 0 3407.86 172.18 4 -9 0 3168.68 160.78 -4 -9 0 2540.25 162.68 4 9 0 2067.59 125.09 4 9 0 2392.46 126.99 5 -9 0 940.31 50.89 -5 -9 0 894.11 53.89 5 -9 0 855.81 56.19 5 -9 0 967.30 63.29 -5 9 0 678.13 39.80 5 9 0 647.64 44.30 6 -9 0 257.47 16.60 6 -9 0 234.88 20.50 -6 -9 0 297.37 21.00 -6 -9 0 290.97 21.20 6 -9 0 246.88 23.00 -6 9 0 207.38 17.70 -6 9 0 216.78 16.70 6 9 0 272.07 15.60 6 9 0 246.68 23.10 7 -9 0 458.65 26.90 -7 -9 0 464.55 32.00 7 -9 0 419.16 32.30 -7 -9 0 488.55 31.90 7 -9 0 432.26 32.00 7 9 0 391.76 32.40 7 9 0 398.56 34.20 -7 9 0 354.46 26.60 -8 -9 0 135.79 14.40 8 -9 0 105.69 8.00 -8 -9 0 127.19 14.40 8 -9 0 120.09 14.80 8 9 0 109.99 18.00 8 9 0 110.29 18.80 -8 9 0 103.19 12.50 9 -9 0 39.20 3.80 9 9 0 163.98 31.50 9 9 0 196.48 24.00 10 -9 0 241.58 20.80 -10 -9 0 280.37 21.90 -10 -9 0 273.87 21.30 10 9 0 322.67 29.20 -10 9 0 306.77 23.70 10 9 0 340.87 28.20 -11 -9 0 90.79 10.30 -11 -9 0 89.59 9.90 11 9 0 41.20 9.70 11 9 0 34.40 8.00 12 -9 0 236.08 15.00 12 9 0 128.39 7.50 12 9 0 127.39 10.10 0 -10 0 1939.01 111.59 0 10 0 1865.21 110.39 1 -10 0 2776.62 163.28 -1 -10 0 2941.61 162.98 -1 -10 0 2892.41 159.58 1 10 0 2842.52 161.08 -1 10 0 2868.91 166.28 -2 -10 0 898.31 62.69 2 -10 0 1070.09 59.19 -2 -10 0 936.51 58.09 2 10 0 724.93 46.50 3 -10 0 915.51 49.70 3 -10 0 875.91 56.19 -3 10 0 691.73 60.09 3 10 0 897.11 51.29 4 -10 0 13.10 2.80 4 -10 0 10.50 5.50 4 -10 0 6.10 3.60 4 10 0 94.19 10.90 4 10 0 114.79 14.40 5 -10 0 65.39 5.70 5 -10 0 61.09 9.60 5 -10 0 62.59 11.80 5 10 0 12.60 5.90 -6 -10 0 1080.89 65.39 -6 -10 0 1067.39 65.99 6 -10 0 1219.28 61.59 6 -10 0 1085.59 67.69 6 -10 0 1081.79 60.59 -6 10 0 1010.20 58.29 6 10 0 970.60 62.49 6 10 0 962.80 54.29 6 10 0 930.31 63.39 7 -10 0 41.40 4.90 7 -10 0 39.60 9.00 7 -10 0 37.30 9.10 7 -10 0 35.20 4.80 -7 -10 0 53.09 11.20 7 -10 0 31.40 3.60 7 10 0 28.80 10.90 -7 10 0 22.80 7.90 7 10 0 41.30 13.60 8 -10 0 1231.68 80.29 -8 -10 0 1344.47 80.49 8 -10 0 1332.87 73.59 -8 -10 0 1430.26 80.89 8 -10 0 1484.95 81.69 8 10 0 1242.08 83.29 8 10 0 1267.27 81.19 -8 10 0 1283.47 74.89 -9 -10 0 864.51 54.49 -9 -10 0 868.61 54.69 9 -10 0 892.31 54.69 -9 10 0 861.21 50.89 9 10 0 805.12 57.89 9 10 0 787.82 55.39 9 10 0 739.23 43.80 10 -10 0 174.58 18.00 -10 -10 0 196.68 17.20 10 -10 0 183.88 16.40 -10 -10 0 187.08 16.80 10 10 0 167.08 20.10 -10 10 0 156.38 15.00 -11 -10 0 511.35 32.90 11 -10 0 513.95 32.70 -11 -10 0 582.34 37.80 -11 10 0 380.56 25.20 11 10 0 381.96 27.20 11 10 0 391.26 29.20 12 10 0 38.30 2.90 12 10 0 37.70 5.20 0 -11 0 11.50 4.60 0 11 0 20.90 7.30 -1 -11 0 301.07 23.40 -1 -11 0 316.57 26.20 1 11 0 241.38 22.40 -1 11 0 279.57 27.10 -2 -11 0 1949.70 112.39 2 -11 0 1981.10 112.39 -2 11 0 1889.91 122.09 2 11 0 1979.30 112.79 3 -11 0 1835.62 104.69 3 -11 0 1522.85 100.19 3 -11 0 1982.30 97.09 -4 -11 0 2724.83 167.98 4 -11 0 2893.11 170.68 4 -11 0 3348.26 166.08 4 -11 0 3356.96 177.18 4 11 0 2454.75 139.39 4 11 0 2403.26 136.29 5 -11 0 872.61 55.69 5 -11 0 969.60 50.29 5 -11 0 837.32 53.39 5 11 0 446.26 34.40 5 11 0 458.95 35.20 -5 11 0 572.24 32.90 6 -11 0 1057.19 55.99 -6 -11 0 1022.60 60.19 -6 -11 0 1010.50 60.89 6 -11 0 964.30 59.99 6 -11 0 964.80 61.89 6 -11 0 974.40 54.89 6 11 0 915.31 50.49 6 11 0 860.01 59.59 -6 11 0 886.21 54.09 6 11 0 926.51 58.89 -7 -11 0 266.17 23.80 7 -11 0 319.57 25.30 7 -11 0 347.47 18.80 7 -11 0 339.87 19.80 7 -11 0 340.07 24.80 -7 -11 0 270.67 23.90 -7 11 0 280.57 20.50 7 11 0 211.88 25.00 7 11 0 214.88 23.80 -8 -11 0 214.68 19.60 -8 -11 0 211.58 19.30 8 11 0 271.67 25.80 8 11 0 235.48 26.20 -8 11 0 194.78 18.80 -9 -11 0 119.19 14.50 -9 -11 0 135.39 14.90 -9 11 0 137.99 15.00 9 11 0 160.78 20.80 9 11 0 149.79 9.60 9 11 0 159.68 21.40 -10 -11 0 124.69 13.70 10 -11 0 133.19 14.40 -10 -11 0 124.79 13.50 10 -11 0 142.89 13.50 10 11 0 74.19 14.20 10 11 0 65.49 13.20 -10 11 0 78.99 10.50 -11 -11 0 209.18 15.60 -11 -11 0 204.98 15.80 -11 11 0 243.48 16.40 12 11 0 12.70 1.70 12 11 0 13.30 3.10 -1 -12 0 276.27 23.20 -1 -12 0 282.77 25.40 -1 12 0 402.96 34.80 1 12 0 304.67 28.30 2 -12 0 2125.29 134.19 -2 -12 0 2637.34 139.39 2 12 0 2542.05 132.19 -2 12 0 1940.91 138.29 3 -12 0 521.95 36.30 3 -12 0 564.84 39.90 3 -12 0 625.74 33.10 -3 12 0 350.96 38.40 3 12 0 377.96 29.10 3 12 0 340.07 25.00 4 -12 0 632.54 43.40 4 -12 0 665.73 34.60 4 -12 0 575.34 38.90 -4 -12 0 510.95 36.20 4 12 0 565.94 38.40 4 12 0 614.44 42.50 -5 -12 0 264.77 20.80 5 -12 0 293.67 17.10 -5 -12 0 278.37 20.30 5 -12 0 249.68 19.60 5 -12 0 248.98 16.00 5 -12 0 259.97 21.80 5 12 0 455.95 33.50 5 12 0 491.65 35.20 5 12 0 481.05 27.60 -5 12 0 443.16 30.90 6 -12 0 165.48 16.90 6 -12 0 174.48 12.00 6 -12 0 170.18 11.20 6 -12 0 161.88 15.00 6 12 0 79.29 13.60 6 12 0 76.69 7.60 6 12 0 75.99 12.50 7 -12 0 3162.28 166.28 -7 -12 0 2839.52 171.18 7 -12 0 3088.29 170.88 7 -12 0 3075.69 172.58 7 -12 0 3313.67 165.18 -7 -12 0 2960.50 171.18 -7 12 0 2684.23 137.69 7 12 0 2261.37 141.59 7 12 0 2325.37 144.09 8 -12 0 291.17 25.60 8 -12 0 328.37 25.80 -8 -12 0 389.36 27.60 -8 -12 0 363.36 26.90 -8 12 0 311.37 24.80 8 12 0 328.77 31.80 8 12 0 340.27 30.60 -9 -12 0 69.59 11.50 9 -12 0 69.69 11.00 -9 -12 0 64.19 11.10 9 -12 0 59.59 12.80 -9 12 0 40.30 9.00 9 12 0 33.30 3.90 9 12 0 43.60 13.60 9 12 0 37.20 11.30 10 -12 0 51.79 9.00 10 -12 0 56.59 12.80 -10 -12 0 73.89 10.30 -10 -12 0 67.69 10.30 -10 12 0 73.59 10.10 10 12 0 78.39 13.70 10 12 0 82.19 14.60 -11 -12 0 182.38 14.40 -11 -12 0 185.58 14.00 11 12 0 203.18 16.70 11 12 0 190.78 17.90 12 -12 0 163.58 9.40 12 12 0 97.09 6.20 12 12 0 98.69 8.40 0 -13 0 8.60 4.90 0 13 0 10.00 6.60 1 -13 0 2365.06 130.59 1 13 0 2475.95 135.29 -1 13 0 2013.70 137.29 2 -13 0 106.19 12.40 -2 13 0 40.40 13.10 2 13 0 44.10 9.80 3 -13 0 1634.04 97.69 3 -13 0 1871.31 94.19 3 -13 0 1648.73 101.59 3 13 0 1439.36 84.29 -3 13 0 1523.05 105.89 3 13 0 1478.05 91.39 4 -13 0 488.95 34.10 -4 -13 0 519.15 38.60 4 13 0 380.26 31.20 4 13 0 353.36 26.50 5 -13 0 347.07 20.00 -5 -13 0 304.27 22.90 5 -13 0 327.67 25.10 5 -13 0 335.47 19.50 -5 -13 0 285.27 23.00 5 -13 0 308.77 22.60 5 13 0 299.27 18.80 5 13 0 304.17 24.80 -5 13 0 308.97 22.60 5 13 0 290.57 25.00 6 -13 0 1006.70 53.99 -6 -13 0 921.91 58.79 -6 -13 0 963.30 58.39 6 -13 0 981.70 52.79 6 -13 0 930.31 59.89 6 -13 0 936.11 57.49 6 13 0 702.33 50.09 -6 13 0 720.23 45.00 6 13 0 711.93 48.80 6 13 0 690.13 40.40 7 -13 0 1058.79 57.69 7 -13 0 1039.70 61.99 7 -13 0 977.40 63.49 7 -13 0 1131.79 56.49 -7 -13 0 908.11 62.39 -7 13 0 807.92 47.20 7 13 0 663.73 59.39 7 13 0 681.83 50.99 8 -13 0 365.16 27.50 8 -13 0 356.56 28.20 -8 -13 0 384.96 28.60 -8 -13 0 407.66 29.20 8 13 0 291.87 29.90 -8 13 0 286.37 23.00 8 13 0 298.27 28.40 9 -13 0 27.20 7.00 -9 -13 0 47.60 10.20 9 -13 0 37.30 11.00 9 13 0 53.29 14.30 9 13 0 59.89 14.20 9 13 0 58.79 5.00 -10 -13 0 301.87 22.20 10 -13 0 282.97 21.20 -10 -13 0 317.27 22.90 10 13 0 262.97 23.50 -10 13 0 268.27 20.30 10 13 0 270.27 25.10 -11 -13 0 135.79 11.60 -11 -13 0 136.79 11.10 11 13 0 97.49 10.90 -11 13 0 91.19 8.00 11 13 0 99.29 11.90 12 -13 0 247.08 14.10 12 13 0 146.49 8.30 12 13 0 133.59 10.10 0 -14 0 1243.08 70.79 0 14 0 1598.54 103.39 -1 -14 0 1495.75 84.09 1 -14 0 1505.95 87.19 1 14 0 1618.44 103.09 -1 14 0 1651.83 108.59 2 -14 0 852.81 52.79 2 -14 0 908.61 57.29 2 14 0 593.34 48.80 -2 14 0 787.22 61.29 3 -14 0 2677.53 127.79 -3 -14 0 2030.20 128.39 3 -14 0 2386.06 136.29 3 -14 0 2280.97 131.29 3 14 0 2224.98 134.59 3 14 0 2224.38 125.89 -3 14 0 2315.47 150.28 4 -14 0 47.80 5.50 4 -14 0 39.30 8.20 4 -14 0 41.30 4.70 -4 -14 0 48.10 7.60 4 -14 0 43.60 6.40 -4 -14 0 47.20 7.30 -4 14 0 8.60 4.40 4 14 0 12.20 5.10 4 14 0 11.60 5.50 5 14 0 19.50 7.30 5 14 0 9.30 5.60 5 14 0 10.10 3.90 -6 -14 0 1474.25 93.09 6 -14 0 1730.63 88.39 -6 -14 0 1508.25 92.29 6 -14 0 1702.93 86.99 6 -14 0 1590.74 94.49 6 14 0 1433.26 81.49 6 14 0 1418.66 91.69 -6 14 0 1589.44 86.89 -7 -14 0 64.19 11.70 7 -14 0 42.50 9.00 -7 -14 0 72.09 12.10 7 -14 0 49.90 6.00 7 14 0 76.09 14.90 -7 14 0 61.29 10.20 7 14 0 76.99 15.80 8 -14 0 248.58 21.20 8 -14 0 236.18 19.80 8 -14 0 232.98 24.50 8 14 0 50.39 14.40 8 14 0 64.99 15.10 -9 -14 0 390.86 28.70 9 -14 0 392.46 30.90 -9 -14 0 392.56 28.60 9 -14 0 400.26 27.60 9 14 0 367.46 32.10 -9 14 0 385.26 27.50 9 14 0 379.26 21.60 9 14 0 365.96 33.20 -10 -14 0 15.10 5.80 10 -14 0 11.80 4.80 -10 -14 0 16.10 5.90 10 14 0 8.10 7.00 10 14 0 7.00 6.50 -11 -14 0 100.49 9.40 -11 -14 0 98.69 8.80 11 14 0 57.89 8.90 -11 14 0 43.40 5.30 11 14 0 57.79 8.30 0 -15 0 23.00 5.00 0 15 0 19.50 9.30 1 -15 0 628.14 39.90 -1 -15 0 670.33 40.20 -1 15 0 603.44 53.89 1 15 0 657.23 50.69 -2 -15 0 1164.68 69.19 2 -15 0 1191.28 74.39 2 -15 0 1224.78 69.99 2 15 0 1095.79 76.79 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44.80 14.90 -8 15 0 55.19 10.80 8 15 0 40.70 13.00 9 -15 0 47.20 8.60 9 -15 0 43.00 10.30 9 15 0 102.19 7.30 9 15 0 104.89 16.80 9 15 0 102.39 18.40 -10 -15 0 164.68 15.00 -10 -15 0 169.78 15.90 10 -15 0 182.28 14.70 -10 15 0 164.18 12.70 10 15 0 159.98 17.30 10 15 0 156.68 17.60 -11 -15 0 12.80 4.00 -11 -15 0 9.70 3.40 11 15 0 10.30 4.30 11 15 0 9.50 4.70 0 -16 0 1757.22 98.79 0 16 0 1250.97 88.69 1 -16 0 816.92 46.40 -1 -16 0 691.23 44.70 1 16 0 588.04 49.80 -1 16 0 606.04 54.59 2 -16 0 3466.15 187.58 2 -16 0 3287.87 192.78 -2 -16 0 3463.25 185.98 -2 16 0 3099.29 203.88 2 16 0 3452.85 195.48 3 -16 0 414.86 23.90 -3 -16 0 361.46 26.90 -3 -16 0 345.57 24.70 3 -16 0 382.36 22.20 3 -16 0 395.46 29.80 3 -16 0 368.36 27.20 -3 16 0 273.27 37.80 3 16 0 263.57 16.80 3 16 0 285.57 21.60 3 16 0 278.17 29.60 3 16 0 279.87 21.00 4 -16 0 268.47 22.00 4 -16 0 270.57 17.40 4 -16 0 259.97 18.90 4 -16 0 231.28 23.10 4 -16 0 256.67 15.90 4 16 0 78.39 10.70 4 16 0 79.89 11.00 5 -16 0 319.27 20.60 -5 -16 0 336.97 24.90 -5 -16 0 357.96 24.80 5 -16 0 307.67 19.20 5 -16 0 306.17 25.80 5 -16 0 317.07 22.90 5 -16 0 304.97 28.50 5 16 0 317.37 19.70 5 16 0 340.37 26.80 5 16 0 330.77 27.30 -5 16 0 288.87 23.70 6 -16 0 96.29 8.70 6 -16 0 92.99 15.80 6 -16 0 94.09 11.10 6 -16 0 96.59 13.60 6 16 0 41.00 6.20 6 16 0 40.40 11.30 6 16 0 31.80 11.40 7 -16 0 1431.26 85.39 7 -16 0 1381.06 80.79 -7 -16 0 1198.78 78.69 -7 -16 0 1226.98 79.29 7 -16 0 1423.26 77.99 7 16 0 1075.99 76.39 -7 16 0 1334.07 71.29 7 16 0 1059.19 74.19 8 -16 0 284.47 22.30 -8 -16 0 344.77 25.40 8 -16 0 267.57 23.70 -8 -16 0 337.27 25.10 8 -16 0 262.87 26.30 -8 16 0 217.28 20.00 8 16 0 252.27 26.70 8 16 0 257.37 25.40 9 -16 0 251.07 22.00 9 -16 0 293.57 20.40 -9 -16 0 256.17 21.30 -9 -16 0 263.27 21.20 9 16 0 106.09 16.70 9 16 0 99.59 7.50 -9 16 0 121.59 11.20 9 16 0 101.89 16.20 -10 -16 0 41.30 7.80 -10 -16 0 42.40 7.70 10 16 0 42.30 10.00 10 16 0 45.20 10.20 -10 16 0 38.40 6.00 -11 -16 0 354.06 21.20 -11 -16 0 362.16 23.00 11 16 0 373.86 27.30 11 16 0 397.86 25.40 -11 16 0 405.46 23.70 0 -17 0 8.50 3.90 -1 -17 0 485.65 31.60 1 -17 0 507.75 32.70 1 17 0 426.36 42.20 -1 17 0 464.65 47.50 -2 -17 0 360.16 24.30 2 -17 0 360.56 25.80 2 -17 0 353.56 27.50 2 17 0 276.07 31.10 -2 17 0 266.47 36.90 -3 -17 0 1018.40 67.99 -3 -17 0 1127.49 70.69 3 -17 0 1278.17 74.49 3 -17 0 1197.78 71.19 3 -17 0 1335.97 67.49 3 17 0 998.90 61.09 -3 17 0 1057.59 58.59 -3 17 0 1085.79 88.59 3 17 0 972.80 73.29 3 17 0 1033.40 60.59 3 17 0 845.82 57.49 -4 -17 0 1382.06 79.69 -4 -17 0 1432.26 78.79 4 -17 0 1288.27 82.99 4 -17 0 1187.58 79.49 4 -17 0 1448.46 75.69 4 17 0 920.81 58.09 4 17 0 1169.38 65.79 -4 17 0 978.00 61.09 4 17 0 1147.79 65.79 5 -17 0 952.50 50.19 5 -17 0 881.51 58.99 5 -17 0 868.01 55.69 -5 -17 0 734.83 52.59 5 -17 0 914.01 52.59 5 17 0 521.65 32.00 5 17 0 566.14 40.60 5 17 0 568.44 39.80 6 -17 0 457.05 26.70 6 -17 0 408.56 34.80 6 -17 0 417.06 29.00 6 -17 0 416.66 33.30 -6 17 0 285.37 25.00 6 17 0 368.06 29.90 6 17 0 384.06 44.30 7 -17 0 364.86 29.20 7 -17 0 366.16 32.10 7 -17 0 399.36 23.90 7 -17 0 368.76 26.60 -7 17 0 291.77 21.00 -7 17 0 263.87 22.60 8 -17 0 243.48 23.80 8 -17 0 247.58 21.60 8 -17 0 272.07 20.20 -8 17 0 210.58 17.70 8 17 0 239.88 25.80 8 17 0 259.77 25.20 -9 -17 0 8.80 5.70 9 -17 0 9.80 5.60 -9 -17 0 10.00 5.70 9 17 0 4.10 6.70 9 17 0 3.00 6.70 -9 17 0 5.40 3.50 -10 -17 0 148.89 13.30 -10 -17 0 148.09 12.70 -10 17 0 173.38 12.40 10 17 0 148.29 15.50 10 17 0 146.99 18.30 11 -17 0 134.59 8.00 11 17 0 87.19 8.50 0 -18 0 500.45 32.40 0 18 0 596.74 56.59 -1 -18 0 1059.39 63.59 -1 -18 0 1085.49 61.89 1 -18 0 1051.59 64.49 1 -18 0 1010.20 62.29 1 18 0 975.10 75.09 -1 18 0 866.61 76.29 -2 -18 0 539.35 45.10 2 -18 0 694.13 37.90 2 -18 0 669.13 41.10 -2 -18 0 606.24 38.90 -2 18 0 543.85 56.09 2 18 0 519.05 33.50 2 18 0 495.45 28.70 2 18 0 460.55 52.29 -2 18 0 489.35 31.80 3 -18 0 1565.64 84.99 3 -18 0 1543.55 82.09 -3 -18 0 1187.18 77.99 -3 -18 0 1202.48 78.19 3 18 0 1075.99 66.99 3 18 0 1089.79 66.79 -3 18 0 1269.47 65.59 3 18 0 1030.10 81.09 4 -18 0 446.56 36.40 -4 -18 0 563.24 33.80 4 -18 0 417.56 33.70 4 -18 0 476.85 30.00 -4 -18 0 531.05 34.50 4 18 0 250.37 18.60 4 18 0 343.97 25.70 4 18 0 360.36 25.90 -4 18 0 268.87 21.20 5 -18 0 19.90 7.30 5 -18 0 29.10 10.10 5 -18 0 33.30 5.60 5 18 0 43.20 5.70 5 18 0 51.89 11.20 5 18 0 56.19 11.80 6 -18 0 1989.60 104.79 -6 -18 0 1885.31 109.89 6 -18 0 1919.81 114.39 6 -18 0 1998.70 107.59 6 -18 0 1771.02 110.29 -6 -18 0 1806.92 108.79 6 18 0 1704.73 101.39 6 18 0 1635.54 102.79 7 -18 0 421.26 28.60 -7 -18 0 430.16 31.00 7 -18 0 386.46 33.20 -7 -18 0 411.66 31.10 7 -18 0 378.66 30.70 7 -18 0 430.96 25.90 7 18 0 403.96 33.90 7 18 0 403.76 35.70 -7 18 0 393.86 27.30 -8 -18 0 125.89 15.00 -8 -18 0 125.49 15.20 8 -18 0 159.88 17.40 8 -18 0 153.58 16.20 8 18 0 22.20 9.70 8 18 0 19.80 9.70 -9 -18 0 129.49 13.30 9 -18 0 136.79 13.60 -9 -18 0 121.69 13.10 9 -18 0 117.99 12.10 9 18 0 140.49 9.30 9 18 0 147.69 17.90 -9 18 0 143.59 15.70 9 18 0 154.28 18.50 -10 -18 0 64.09 8.40 -10 -18 0 62.99 7.90 10 18 0 36.30 8.10 10 18 0 36.10 8.60 11 -18 0 21.00 2.00 11 18 0 29.10 4.70 0 -19 0 10.30 5.20 0 -19 0 10.70 1.90 0 -19 0 17.90 7.60 0 19 0 13.40 9.70 0 19 0 7.40 3.20 1 -19 0 1362.96 78.49 1 -19 0 1325.27 80.19 -1 -19 0 1437.86 77.99 -1 -19 0 1450.75 80.09 1 -19 0 1141.99 72.09 -1 19 0 1292.37 104.69 1 19 0 1492.35 103.49 -1 19 0 1325.87 79.29 1 19 0 1308.37 75.39 1 19 0 1511.35 80.79 -2 -19 0 812.12 54.19 2 -19 0 1108.79 60.09 2 -19 0 950.60 49.60 -2 -19 0 797.82 55.69 2 19 0 663.03 42.80 2 19 0 740.83 64.89 -2 19 0 914.31 49.10 2 19 0 765.42 48.00 3 -19 0 398.56 29.30 3 -19 0 395.26 25.40 -3 -19 0 426.46 32.30 -3 -19 0 387.16 27.10 -3 -19 0 399.16 29.20 3 -19 0 349.67 21.70 3 -19 0 400.96 31.10 3 19 0 229.18 31.80 -3 19 0 264.27 19.80 -3 19 0 289.17 43.00 3 19 0 282.17 22.20 3 19 0 286.07 21.90 -4 -19 0 1069.49 67.39 -4 -19 0 1019.20 68.29 4 -19 0 1149.19 69.99 4 -19 0 1213.08 73.19 4 -19 0 1253.27 65.29 4 19 0 959.80 63.39 4 19 0 951.70 63.59 -4 19 0 1151.98 61.19 5 -19 0 460.85 29.50 -5 -19 0 534.15 34.80 -5 -19 0 539.75 34.20 5 -19 0 422.76 34.30 5 -19 0 434.96 36.80 5 19 0 527.75 38.20 5 19 0 535.55 37.30 -5 19 0 448.66 31.70 5 19 0 438.36 28.30 6 -19 0 69.69 12.50 -6 -19 0 65.79 12.10 6 -19 0 73.19 8.60 -6 -19 0 66.29 11.70 6 -19 0 68.69 13.60 6 19 0 29.40 10.10 -6 19 0 45.40 7.80 6 19 0 39.10 10.70 7 -19 0 51.79 6.30 -7 -19 0 56.69 11.40 7 -19 0 40.30 10.70 -7 19 0 56.89 10.00 7 19 0 51.29 14.00 8 -19 0 258.07 20.40 -8 -19 0 188.38 20.90 -8 -19 0 192.88 19.10 8 -19 0 260.77 21.80 -8 19 0 182.68 14.30 8 19 0 127.09 18.10 8 19 0 135.89 22.90 -9 -19 0 256.17 20.00 -9 -19 0 256.57 19.70 9 19 0 229.48 13.10 -9 19 0 181.18 15.60 9 19 0 249.08 22.60 9 19 0 232.08 21.50 -10 -19 0 257.27 17.50 -10 -19 0 261.37 18.60 -10 19 0 269.77 17.80 10 19 0 269.27 21.40 10 19 0 280.67 21.00 11 19 0 5.00 2.20 0 -20 0 1414.56 83.49 0 -20 0 1403.26 81.69 0 20 0 1262.27 99.19 0 20 0 1237.28 72.99 -1 -20 0 575.94 34.60 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18.40 7 -20 0 183.28 13.60 7 -20 0 176.18 19.50 7 20 0 144.89 19.80 7 20 0 151.18 19.40 8 -20 0 653.73 43.20 8 -20 0 659.83 42.60 -8 -20 0 659.83 42.20 -8 -20 0 648.54 42.20 8 20 0 507.95 38.30 -8 20 0 523.15 32.40 8 20 0 475.95 38.80 -9 -20 0 205.78 16.60 -9 -20 0 200.98 16.70 9 20 0 115.19 7.10 9 20 0 107.89 14.50 -9 20 0 88.99 9.40 9 20 0 113.19 14.40 10 -20 0 2.60 1.30 -10 -20 0 3.30 2.80 -10 -20 0 4.00 3.20 10 20 0 12.90 5.00 10 20 0 23.80 6.30 0 -21 0 21.30 7.20 0 -21 0 21.40 6.60 0 21 0 15.40 10.90 0 21 0 18.40 5.60 -1 -21 0 133.39 15.20 1 -21 0 180.48 17.00 1 -21 0 185.58 16.10 1 -21 0 153.68 9.40 -1 -21 0 128.19 13.80 1 21 0 114.29 8.50 1 21 0 127.99 12.80 1 21 0 111.89 24.80 -2 -21 0 608.84 40.80 2 -21 0 639.24 42.80 -2 -21 0 622.94 39.30 2 -21 0 638.44 37.70 2 -21 0 635.14 41.00 2 -21 0 512.15 33.10 2 21 0 699.43 66.89 2 21 0 715.13 45.90 2 21 0 774.92 45.70 -2 21 0 706.33 73.89 -2 21 0 658.53 43.90 -3 -21 0 1402.56 90.09 3 -21 0 1415.86 84.39 3 -21 0 1668.93 93.69 3 -21 0 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0 488.15 34.50 6 -22 0 488.15 37.00 -6 22 0 455.65 30.80 6 22 0 418.16 36.30 6 22 0 478.55 36.80 7 -22 0 722.23 47.30 -7 -22 0 684.63 46.00 -7 -22 0 737.63 53.09 7 22 0 585.04 47.90 -7 22 0 658.63 38.90 7 22 0 572.54 43.60 8 -22 0 82.59 6.20 8 -22 0 83.39 10.80 8 -22 0 83.89 10.10 8 22 0 41.10 11.20 8 22 0 37.10 10.20 -9 -22 0 236.38 16.90 -9 -22 0 236.78 17.70 -9 22 0 174.58 12.30 9 22 0 145.19 9.90 9 22 0 143.79 15.40 9 22 0 144.99 15.40 10 22 0 99.39 9.40 0 -23 0 3.00 4.30 0 -23 0 0.70 4.60 0 23 0 1.60 3.60 -1 -23 0 770.92 45.30 1 -23 0 633.34 42.00 1 -23 0 644.64 44.60 1 -23 0 629.64 45.70 -1 -23 0 782.52 47.20 -1 23 0 719.43 49.90 1 23 0 823.12 90.39 -2 -23 0 918.71 57.59 2 -23 0 1004.60 60.39 2 -23 0 1046.30 62.29 2 -23 0 1058.99 57.09 -2 -23 0 851.21 57.69 -2 -23 0 884.71 59.69 2 23 0 847.52 54.19 -2 23 0 963.50 54.69 2 23 0 813.92 54.99 3 -23 0 538.95 31.80 3 -23 0 535.55 37.30 -3 -23 0 410.66 33.80 -3 -23 0 449.56 32.60 -3 23 0 423.06 27.70 3 23 0 339.97 28.10 3 23 0 361.16 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557.14 36.30 -6 -30 0 397.16 25.60 6 -30 0 435.86 28.10 -6 30 0 338.57 21.00 6 30 0 265.57 22.80 7 30 0 123.79 11.80 0 -31 0 2.40 4.50 0 -31 0 6.80 1.80 0 -31 0 3.40 5.50 0 31 0 3.00 4.30 1 -31 0 165.68 16.30 1 -31 0 161.08 16.50 -1 -31 0 180.18 16.40 -1 31 0 142.09 15.30 1 31 0 142.39 15.90 2 -31 0 505.95 33.70 2 -31 0 490.95 32.50 -2 -31 0 427.76 31.60 -2 31 0 538.45 34.10 2 31 0 427.16 33.90 3 -31 0 349.87 27.90 -3 -31 0 301.67 23.90 3 -31 0 377.66 26.70 3 31 0 248.08 15.70 3 31 0 275.97 23.00 4 -31 0 9.50 5.50 4 -31 0 16.60 5.30 -4 31 0 9.60 4.60 4 31 0 23.80 7.80 5 -31 0 82.59 13.90 -5 31 0 55.59 7.60 -6 -31 0 450.15 27.70 6 -31 0 515.35 30.60 -6 31 0 455.15 27.00 6 31 0 407.16 31.10 7 31 0 53.19 4.50 7 31 0 51.09 9.00 0 -32 0 41.10 8.60 0 -32 0 41.40 8.20 0 32 0 77.29 11.30 1 -32 0 212.78 13.00 1 -32 0 222.58 18.20 1 -32 0 204.58 18.20 -1 32 0 226.38 19.60 2 -32 0 511.75 35.20 2 -32 0 559.24 36.70 -2 -32 0 500.95 35.20 2 32 0 410.86 34.10 -2 32 0 377.86 30.40 3 -32 0 90.29 11.30 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656.23 40.50 6 -9 4 703.83 41.40 6 -9 4 677.53 38.80 6 -9 4 715.23 44.00 6 -9 4 651.33 38.40 6 9 4 656.13 39.10 6 9 4 625.64 39.70 6 9 4 670.83 37.90 6 9 4 646.44 46.40 6 9 4 738.83 60.99 6 9 4 681.13 39.10 -7 -9 -4 66.09 11.00 7 -9 4 80.39 6.20 7 -9 4 102.39 11.80 7 -9 4 96.59 8.80 7 -9 4 96.89 7.00 7 -9 4 97.59 9.60 7 -9 4 118.79 12.10 7 9 4 70.59 15.10 7 9 4 78.39 7.00 7 9 4 75.19 9.40 7 9 4 70.99 7.60 7 9 4 82.59 9.10 -7 9 -4 94.49 11.90 7 9 4 75.69 14.80 -8 -9 -4 25.70 7.30 -8 -9 -4 32.20 9.30 8 -9 4 23.20 4.50 8 -9 4 16.30 5.40 8 -9 4 23.00 3.10 8 9 4 57.09 7.90 8 9 4 90.59 13.50 -8 9 -4 60.19 10.20 8 9 4 69.19 5.80 8 9 4 63.89 13.70 9 -9 4 252.77 13.00 -9 -9 -4 197.48 18.00 -9 -9 -4 189.78 17.20 9 -9 4 257.07 16.40 9 9 4 115.39 8.50 9 9 4 113.69 12.70 9 9 4 114.59 7.50 9 9 4 128.99 15.20 -10 -9 -4 76.89 8.50 10 9 4 92.79 6.10 10 9 4 93.89 7.90 -13 10 4 40.50 3.60 -12 -10 4 261.57 15.40 -12 -10 4 260.27 19.40 12 -10 -4 321.77 22.80 12 10 -4 280.77 22.80 12 10 -4 295.77 20.80 -12 10 4 351.76 17.30 11 -10 -4 171.58 16.40 11 -10 -4 175.98 14.50 11 10 -4 104.39 15.30 11 10 -4 111.19 13.30 -10 -10 4 659.73 43.40 10 -10 -4 698.73 47.30 10 -10 -4 663.33 42.60 10 10 -4 577.14 41.30 10 10 -4 518.55 42.80 -9 -10 4 170.98 16.90 9 -10 -4 167.78 21.40 9 -10 -4 160.48 15.40 -9 -10 4 168.38 10.30 9 10 -4 135.39 20.20 9 10 -4 125.29 17.40 -9 10 4 140.19 8.90 8 -10 -4 1658.23 94.39 -8 -10 4 1559.34 91.49 -8 -10 4 1651.63 87.29 -8 -10 4 1619.34 99.99 -8 10 4 1595.24 91.39 -8 10 4 1749.82 86.69 8 10 -4 1457.75 99.09 -7 -10 4 282.87 16.10 -7 -10 4 268.17 20.00 7 -10 -4 327.37 37.80 7 -10 -4 296.87 22.00 -7 -10 4 276.37 16.30 -7 -10 4 262.77 16.30 -7 -10 4 280.37 21.60 7 10 -4 249.78 26.00 7 10 -4 284.27 40.20 -7 10 4 302.37 16.40 7 10 -4 253.97 35.20 -7 10 4 307.47 16.50 7 10 -4 280.87 25.10 -7 10 4 289.97 20.70 -6 -10 4 755.42 45.20 -6 -10 4 672.13 43.70 -6 -10 4 757.82 40.10 6 -10 -4 764.62 61.39 -6 -10 4 775.52 40.40 6 -10 -4 716.83 41.20 6 10 -4 892.11 62.29 6 10 -4 843.02 67.19 -6 10 4 776.92 46.10 -6 10 4 844.12 46.00 6 10 -4 867.31 53.39 -5 -10 4 1083.09 64.19 -5 -10 4 1149.39 59.99 5 10 -4 953.10 71.99 -5 10 4 1165.88 55.79 5 10 -4 965.70 68.39 -4 -10 4 947.11 57.79 4 -10 -4 1079.89 71.69 4 10 -4 868.31 60.09 4 10 -4 859.31 58.49 -3 -10 4 98.69 6.90 -3 -10 4 113.19 14.90 3 10 -4 166.28 18.50 3 10 -4 169.78 17.40 -2 -10 4 448.16 28.80 -2 -10 4 381.46 22.10 -2 -10 4 320.37 25.60 2 10 -4 503.55 37.70 1 -10 -4 707.63 48.50 -1 -10 4 549.35 34.80 1 10 -4 280.77 25.30 0 -10 4 134.89 8.60 0 -10 -4 102.89 12.30 0 10 -4 134.39 17.40 1 -10 4 266.87 16.60 -1 10 -4 274.57 28.40 2 -10 4 268.17 19.50 2 -10 4 279.57 17.30 -2 10 -4 168.08 23.90 3 -10 4 580.94 35.10 3 -10 4 610.94 33.60 3 -10 4 594.94 33.60 3 -10 4 595.34 37.50 3 -10 4 624.74 36.70 3 -10 4 651.43 35.70 3 10 4 675.53 37.90 3 10 4 679.83 43.20 3 10 4 676.73 39.40 -3 10 -4 688.43 59.69 3 10 4 642.14 45.30 3 10 4 724.03 38.80 3 10 4 687.43 39.10 4 -10 4 117.79 10.50 4 -10 4 116.99 7.80 4 -10 4 124.89 7.90 4 -10 4 126.59 10.00 4 -10 4 124.49 11.40 4 -10 4 107.99 9.70 4 10 4 327.87 25.70 4 10 4 340.07 21.30 -4 10 -4 285.47 23.30 4 10 4 347.97 20.80 4 10 4 334.97 28.00 4 10 4 331.97 19.40 4 10 4 348.87 20.60 5 -10 4 579.94 33.40 5 -10 4 575.14 31.00 -5 -10 -4 484.35 36.20 5 -10 4 587.94 34.50 5 -10 4 591.54 31.30 5 -10 4 598.94 34.00 -5 -10 -4 501.65 37.20 5 10 4 406.36 24.60 5 10 4 388.36 32.90 5 10 4 389.16 25.20 5 10 4 396.36 23.20 -6 -10 -4 109.29 13.80 6 -10 4 142.29 12.50 6 -10 4 123.59 8.20 6 -10 4 125.49 8.50 6 -10 4 137.29 13.30 6 -10 4 125.09 11.40 6 -10 4 128.09 10.90 -6 -10 -4 116.79 14.40 6 10 4 139.59 12.50 -6 10 -4 137.49 14.80 6 10 4 145.79 11.50 6 10 4 158.68 10.80 6 10 4 146.69 18.30 6 10 4 164.68 12.80 6 10 4 143.29 19.40 7 -10 4 345.57 24.00 7 -10 4 334.67 20.90 -7 -10 -4 284.57 24.80 7 -10 4 336.97 19.20 7 -10 4 319.37 21.40 -7 -10 -4 315.37 25.00 7 -10 4 354.46 22.40 -7 10 -4 327.17 25.30 7 10 4 324.37 20.00 7 10 4 332.07 30.40 7 10 4 321.87 28.40 7 10 4 359.66 21.60 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33.10 -8 -11 4 545.15 37.00 8 11 -4 651.63 49.70 8 11 -4 599.64 49.10 -8 11 4 792.32 38.20 -7 -11 4 181.58 11.00 -7 -11 4 180.68 14.70 -7 -11 4 166.08 11.80 -7 -11 4 198.58 16.50 7 11 -4 178.18 20.50 -7 11 4 174.88 9.90 7 11 -4 149.49 26.60 7 11 -4 154.98 17.80 7 11 -4 152.68 23.00 -7 11 4 161.08 10.80 -6 -11 4 385.96 23.70 6 -11 -4 436.46 24.80 -6 -11 4 420.26 23.60 -6 -11 4 421.96 23.30 6 -11 -4 458.95 43.60 -6 -11 4 411.66 28.20 -6 11 4 299.37 16.90 -6 11 4 315.07 17.00 6 11 -4 290.37 30.50 6 11 -4 286.07 34.20 6 11 -4 284.67 23.40 -5 -11 4 799.52 42.70 -5 -11 4 774.02 45.80 5 -11 -4 725.03 59.49 -5 11 4 545.65 34.90 5 11 -4 697.63 57.89 5 11 -4 673.03 49.40 -4 -11 4 79.19 8.40 4 -11 -4 68.49 13.90 4 11 -4 116.69 16.30 4 11 -4 114.89 16.10 3 -11 -4 562.34 45.60 -3 -11 4 578.54 31.80 3 11 -4 603.94 42.80 3 11 -4 613.34 44.90 -2 -11 4 19.70 4.50 -2 -11 4 18.60 4.90 2 11 -4 20.50 7.60 -1 -11 4 273.47 17.00 -1 -11 4 290.47 19.60 1 11 -4 193.08 21.00 0 -11 4 757.02 42.60 0 -11 4 761.32 45.80 0 11 -4 1065.19 71.99 -1 -11 -4 789.72 47.40 1 -11 4 815.82 48.00 1 -11 4 833.72 45.80 -1 11 -4 1094.49 76.79 2 -11 4 1562.04 87.89 2 -11 4 1648.94 90.69 -2 11 -4 1425.76 99.39 3 -11 4 194.18 14.40 3 -11 4 221.88 14.80 3 -11 4 202.68 14.20 3 -11 4 224.98 12.70 3 -11 4 220.88 16.70 3 -11 4 224.58 12.80 -3 11 -4 173.78 26.90 3 11 4 155.68 10.90 3 11 4 148.99 10.80 3 11 4 134.69 10.80 3 11 4 185.88 11.60 3 11 4 124.09 15.00 4 -11 4 401.76 27.20 4 -11 4 396.26 24.60 4 -11 4 395.16 22.70 4 -11 4 371.96 24.70 -4 -11 -4 429.76 29.00 4 -11 4 403.96 22.80 4 -11 4 412.46 26.50 4 -11 4 409.66 25.20 -4 11 -4 328.77 26.00 4 11 4 374.76 30.60 4 11 4 385.56 23.10 4 11 4 374.06 23.60 4 11 4 391.56 28.70 4 11 4 403.16 22.10 4 11 4 384.96 23.30 5 -11 4 60.79 7.30 5 -11 4 64.49 8.70 5 -11 4 57.49 8.50 5 -11 4 62.09 5.70 5 -11 4 61.59 7.80 5 -11 4 53.59 4.80 5 11 4 8.40 3.10 5 11 4 10.20 4.30 5 11 4 7.10 4.00 5 11 4 6.90 6.20 5 11 4 16.70 3.70 6 -11 4 81.19 9.90 6 -11 4 62.59 9.20 -6 -11 -4 44.80 10.30 6 -11 4 60.39 5.20 6 -11 4 68.49 8.90 6 -11 4 67.19 7.60 6 -11 4 55.89 4.70 -6 -11 -4 43.00 9.90 6 11 4 77.89 9.10 6 11 4 72.79 13.80 -6 11 -4 96.79 11.80 6 11 4 75.19 7.30 6 11 4 70.89 9.20 6 11 4 81.79 15.20 6 11 4 77.89 8.00 7 -11 4 156.88 12.20 7 -11 4 143.99 9.10 -7 -11 -4 134.69 20.00 7 -11 4 155.68 9.90 7 -11 4 174.98 15.20 -7 -11 -4 136.89 15.60 -7 11 -4 76.29 17.60 7 11 4 70.29 14.50 7 11 4 75.39 8.90 7 11 4 79.19 8.30 7 11 4 65.39 7.00 8 -11 4 7.10 3.30 -8 -11 -4 5.00 5.10 8 -11 4 5.60 4.10 8 -11 4 8.70 2.00 8 11 4 26.10 8.40 8 11 4 27.50 9.60 8 11 4 28.60 5.30 8 11 4 27.10 3.70 9 -11 4 63.99 5.00 -9 -11 -4 91.79 10.60 9 -11 4 70.59 7.80 -9 -11 -4 92.59 9.10 9 11 4 92.19 10.80 9 11 4 94.89 5.90 -9 11 -4 80.09 10.30 10 -11 4 89.39 5.80 -10 -11 -4 81.99 8.50 10 11 4 92.09 7.30 10 11 4 99.19 6.10 -12 -12 4 8.40 3.70 12 -12 -4 5.80 4.30 -12 -12 4 10.10 1.30 -12 12 4 3.50 1.00 12 12 -4 1.70 3.00 -12 12 4 1.70 2.30 12 12 -4 5.30 5.60 -11 -12 4 266.37 19.60 11 -12 -4 235.88 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18.00 -5 -12 4 129.49 7.00 5 12 -4 125.19 18.10 5 12 -4 123.99 19.20 -5 12 4 97.59 7.20 -4 -12 4 2678.83 134.49 -4 -12 4 2534.65 138.29 4 -12 -4 2338.47 175.78 4 12 -4 2901.71 169.48 4 12 -4 2859.31 174.88 3 -12 -4 657.93 51.79 -3 -12 4 664.73 36.80 3 12 -4 676.53 49.70 -2 -12 4 664.13 40.60 2 -12 -4 546.15 38.10 -2 -12 4 558.14 33.20 2 12 -4 539.25 41.90 -1 -12 4 51.39 5.00 -1 -12 4 59.69 7.20 1 12 -4 148.79 19.00 0 -12 4 625.24 38.30 0 -12 4 630.04 35.80 0 12 -4 462.95 40.00 -1 -12 -4 674.53 38.80 1 -12 4 598.14 36.10 1 -12 4 618.64 38.60 -1 12 -4 576.34 49.30 2 -12 4 113.59 9.00 2 -12 4 127.89 9.60 2 -12 4 125.59 11.50 2 12 4 222.38 14.30 -2 12 -4 202.18 28.60 2 12 4 215.98 16.90 2 12 4 210.48 13.10 2 12 4 212.68 13.60 3 -12 4 70.39 7.20 3 -12 4 74.49 7.20 3 -12 4 68.49 8.60 3 -12 4 73.19 5.40 3 -12 4 75.19 7.80 3 -12 4 65.29 6.80 -3 -12 -4 71.19 9.30 3 12 4 60.39 9.10 -3 12 -4 62.29 8.70 3 12 4 72.49 7.10 3 12 4 56.69 10.30 3 12 4 69.59 6.40 3 12 4 59.79 6.00 -3 12 -4 70.89 18.20 3 12 4 69.59 5.60 4 -12 4 29.60 5.40 4 -12 4 28.40 6.10 4 -12 4 26.50 5.50 4 -12 4 28.90 3.40 4 -12 4 28.60 6.50 4 -12 4 30.70 5.40 4 -12 4 26.70 3.30 4 12 4 78.29 7.50 4 12 4 74.19 11.80 4 12 4 80.69 6.60 4 12 4 78.59 12.60 4 12 4 75.69 7.50 4 12 4 72.29 7.90 -5 -12 -4 332.07 25.40 5 -12 4 317.37 21.20 5 -12 4 327.07 21.00 5 -12 4 318.67 22.60 -5 -12 -4 301.77 24.20 5 -12 4 313.97 18.40 5 -12 4 310.77 20.50 5 12 4 328.67 21.70 5 12 4 348.57 20.50 5 12 4 343.37 28.50 -5 12 -4 355.06 26.00 5 12 4 323.37 29.60 6 -12 4 12.80 3.80 6 -12 4 15.50 5.60 6 -12 4 14.90 2.50 6 -12 4 16.30 2.80 6 -12 4 20.20 6.10 6 -12 4 15.00 4.90 6 12 4 78.49 7.80 6 12 4 82.99 9.70 6 12 4 83.89 7.50 6 12 4 83.29 15.30 6 12 4 69.89 13.80 6 12 4 76.09 9.20 7 -12 4 162.28 13.00 7 -12 4 172.48 10.70 -7 -12 -4 197.48 18.10 7 -12 4 156.78 14.70 7 12 4 134.29 11.40 7 12 4 132.99 17.70 7 12 4 149.59 9.80 7 12 4 155.98 11.80 -7 12 -4 112.29 14.20 7 12 4 149.19 19.20 7 12 4 121.89 9.90 8 -12 4 346.77 23.40 8 -12 4 302.47 20.30 -8 -12 -4 389.26 25.50 8 -12 4 315.67 19.50 -8 -12 -4 386.26 26.50 8 12 4 404.46 30.30 8 12 4 399.26 23.30 8 12 4 435.46 32.60 -8 12 -4 390.36 28.60 9 -12 4 149.59 9.70 -9 -12 -4 151.48 13.60 -9 -12 -4 142.39 12.10 9 -12 4 139.09 8.40 -9 12 -4 88.29 10.20 9 12 4 86.99 10.30 9 12 4 84.69 5.70 -10 -12 -4 416.26 26.10 10 -12 4 436.86 23.60 10 12 4 253.57 15.60 10 12 4 274.67 14.70 -12 -13 4 143.39 9.20 12 -13 -4 179.58 14.60 -12 -13 4 172.48 12.90 -12 13 4 187.88 12.00 12 13 -4 161.18 14.50 -11 -13 4 2.60 4.10 11 -13 -4 6.00 7.10 11 -13 -4 4.00 6.20 -11 13 4 4.00 1.60 11 13 -4 7.60 6.70 11 13 -4 11.70 4.90 -10 -13 4 47.50 9.50 10 -13 -4 70.29 12.10 -10 13 4 89.89 6.00 10 13 -4 71.59 13.60 9 -13 -4 81.99 10.40 9 -13 -4 115.99 16.80 9 13 -4 20.10 10.10 9 13 -4 28.50 10.80 -8 -13 4 316.87 23.70 8 -13 -4 273.77 21.90 8 -13 -4 307.07 29.00 -8 -13 4 301.87 21.40 -8 -13 4 297.77 17.10 -8 13 4 379.66 21.90 8 13 -4 375.76 33.20 8 13 -4 398.96 33.80 -7 -13 4 487.05 32.60 7 -13 -4 412.66 37.30 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14 4 33.50 5.40 -6 14 -4 38.10 8.90 6 14 4 28.70 10.70 6 14 4 34.40 6.10 6 14 4 25.60 9.30 6 14 4 32.60 6.00 7 -14 4 124.69 8.30 7 -14 4 141.49 12.70 -7 -14 -4 134.79 14.90 -7 -14 -4 134.79 15.20 7 -14 4 130.89 10.80 -7 14 -4 125.29 14.10 7 14 4 131.89 17.10 7 14 4 98.39 9.30 7 14 4 143.69 11.20 7 14 4 118.09 8.80 7 14 4 108.69 10.00 7 14 4 119.89 16.60 8 -14 4 136.79 10.30 8 -14 4 143.79 8.40 8 14 4 157.98 10.30 8 14 4 162.88 17.40 8 14 4 160.88 16.40 -9 -14 -4 72.79 9.00 9 -14 4 70.09 5.60 -9 -14 -4 71.39 7.90 9 14 4 24.30 3.00 9 14 4 18.70 5.30 9 14 4 23.50 3.30 10 -14 4 138.79 9.20 -10 -14 -4 179.28 11.60 10 14 4 158.98 8.90 12 -15 -4 545.85 32.50 -12 15 4 557.74 31.60 11 -15 -4 230.48 20.20 11 -15 -4 223.78 17.50 -11 15 4 253.67 15.00 11 15 -4 289.07 25.40 -11 15 4 244.98 17.40 11 15 -4 294.67 20.90 10 -15 -4 173.88 20.20 10 -15 -4 171.48 17.10 -10 -15 4 140.69 14.60 10 15 -4 120.09 18.00 -10 15 4 163.68 12.80 10 15 -4 142.89 17.00 -10 15 4 172.38 10.50 9 -15 -4 33.00 10.00 9 -15 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20 4 428.06 24.70 -2 20 4 413.56 28.10 -2 20 4 427.96 24.70 2 20 -4 447.66 49.60 -2 20 4 396.36 24.30 -1 -20 4 432.96 24.70 1 -20 -4 505.15 30.90 -1 -20 4 412.66 30.90 -1 -20 4 439.06 24.40 -1 -20 4 396.56 27.10 -1 -20 4 458.45 24.70 -1 20 4 551.94 29.90 -1 20 4 515.75 33.50 -1 20 4 498.05 29.60 -1 20 4 501.35 29.60 0 -20 4 24.60 3.00 0 -20 4 22.80 4.00 0 -20 4 23.70 7.30 0 -20 4 23.40 2.60 0 -20 4 23.30 5.20 0 -20 4 29.50 3.40 0 20 4 74.69 9.50 0 20 -4 50.29 18.80 0 20 4 81.29 6.90 0 20 4 77.49 6.50 0 20 4 75.79 6.70 1 -20 4 395.26 22.60 1 -20 4 395.26 21.90 1 -20 4 382.76 29.10 1 -20 4 398.66 25.60 1 20 4 673.53 38.40 1 20 4 672.63 42.90 1 20 4 696.53 38.40 1 20 4 637.54 38.20 2 -20 4 26.90 3.40 2 -20 4 24.40 8.00 2 -20 4 20.60 3.40 2 -20 4 27.10 6.10 2 -20 4 23.90 4.40 2 -20 4 22.40 3.00 2 20 4 20.50 7.20 2 20 4 14.90 3.60 2 20 4 22.40 4.40 3 -20 4 605.64 34.70 3 -20 4 694.33 36.70 -3 -20 -4 694.43 44.20 3 -20 4 612.24 38.60 3 -20 4 608.14 42.30 3 -20 4 620.54 35.00 3 -20 4 624.14 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268.47 20.60 -2 -21 4 585.34 32.50 -2 -21 4 522.45 34.80 -2 -21 4 602.04 32.20 -2 -21 4 593.64 32.50 2 -21 -4 617.94 45.40 2 -21 -4 569.14 39.00 -2 -21 4 636.94 40.20 -2 21 4 503.95 28.90 -2 21 4 495.75 28.60 -2 21 4 500.35 32.80 -1 -21 4 29.10 8.30 -1 -21 4 24.00 2.90 -1 -21 4 18.70 4.30 -1 -21 4 28.20 3.30 -1 -21 4 23.10 2.70 -1 21 4 64.59 7.20 -1 21 4 57.69 8.50 -1 21 4 57.49 5.60 -1 21 4 59.69 5.60 0 -21 4 222.28 13.00 0 -21 -4 210.28 17.00 0 -21 -4 223.18 21.30 0 -21 4 214.08 12.40 0 -21 4 218.08 19.80 0 -21 4 207.48 15.90 0 -21 4 213.98 13.00 0 21 4 350.16 21.50 0 21 4 368.36 21.70 0 21 4 357.06 21.50 0 21 4 349.17 25.60 1 -21 4 1077.09 59.79 1 -21 4 1152.38 60.69 1 -21 4 1040.10 67.39 -1 -21 -4 1199.48 69.79 1 -21 4 1138.49 61.09 1 -21 4 1077.19 63.39 1 -21 4 1059.29 59.89 1 21 4 1143.09 62.39 1 21 4 1105.69 67.39 2 -21 4 184.28 18.30 2 -21 4 178.48 11.20 2 -21 4 186.88 14.90 2 -21 4 195.18 13.10 2 -21 4 181.58 11.80 2 -21 4 183.68 10.80 2 21 4 195.48 13.20 2 21 4 179.98 13.00 2 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26.40 10 22 -4 260.67 22.20 -10 22 4 306.47 18.30 9 -22 -4 347.07 25.30 9 -22 -4 325.97 26.10 9 22 -4 202.18 20.90 9 22 -4 214.38 26.60 -8 -22 4 276.37 20.30 8 -22 -4 259.67 24.80 8 -22 -4 271.37 23.40 -8 22 4 193.68 15.50 8 22 -4 196.48 20.30 8 22 -4 200.08 21.80 7 22 -4 145.49 17.90 7 22 -4 140.59 18.60 6 22 -4 426.36 33.20 6 22 -4 383.46 33.30 -5 -22 4 192.98 10.40 -5 -22 4 144.59 11.50 -5 22 4 291.67 18.40 5 22 -4 266.07 26.00 5 22 -4 304.37 25.60 -4 -22 4 450.85 27.80 4 -22 -4 567.14 40.60 4 -22 -4 578.64 38.00 -4 -22 4 444.86 28.50 4 22 -4 564.44 44.90 -4 22 4 672.03 36.30 -4 22 4 657.93 36.20 -4 22 4 683.83 41.10 -3 -22 4 725.73 37.90 3 -22 -4 610.74 47.50 -3 -22 4 723.13 38.90 -3 -22 4 694.63 37.60 -3 22 4 701.43 43.90 -3 22 4 707.53 39.60 -2 -22 4 175.58 12.00 2 -22 -4 187.98 19.80 -2 -22 4 178.28 10.90 -2 -22 4 156.08 13.10 -2 -22 4 173.98 10.40 -2 -22 4 166.78 10.60 2 -22 -4 190.78 17.20 -2 -22 4 184.58 17.80 -2 22 4 110.19 8.40 -2 22 4 113.79 8.20 -2 22 4 113.79 8.60 -2 22 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4 71.09 12.10 3 22 4 73.49 7.50 3 22 4 72.79 7.60 4 -22 4 354.56 28.10 4 -22 4 384.56 22.60 4 -22 4 343.47 21.70 -4 -22 -4 412.16 29.30 4 -22 4 352.46 20.70 4 -22 4 356.86 24.70 -4 -22 -4 392.86 29.50 4 22 4 433.56 27.10 4 22 4 464.15 27.30 4 22 4 450.85 33.70 5 -22 4 262.07 14.60 5 -22 4 245.08 15.70 -5 -22 -4 281.17 23.20 5 -22 4 229.58 20.40 -5 -22 -4 269.17 22.20 5 22 4 308.17 19.80 5 22 4 318.87 19.70 5 22 4 311.57 26.40 -6 -22 -4 11.10 6.40 6 -22 4 16.70 2.90 -6 -22 -4 8.80 6.10 6 22 4 38.80 9.80 6 22 4 39.20 5.00 6 22 4 50.59 6.50 7 -22 4 136.29 9.90 -7 -22 -4 177.78 14.90 -7 -22 -4 177.98 14.80 7 22 4 103.79 7.10 7 22 4 100.59 12.10 -8 -22 -4 20.80 6.90 -8 -22 -4 23.20 6.00 8 22 4 7.90 1.50 8 22 4 9.10 3.30 10 -23 -4 73.39 7.80 10 -23 -4 87.39 8.60 10 23 -4 65.69 10.40 9 -23 -4 98.49 12.20 9 -23 -4 110.29 13.90 9 23 -4 69.69 9.90 9 23 -4 49.99 13.10 8 -23 -4 165.18 16.70 -8 -23 4 154.78 13.40 8 -23 -4 146.89 17.20 -8 23 4 91.59 9.90 8 23 -4 111.39 14.40 8 23 -4 87.79 14.60 7 23 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328.97 17.70 0 -23 -4 280.17 25.50 0 -23 4 306.77 17.10 0 -23 4 311.07 17.60 0 -23 -4 269.87 21.60 0 -23 4 301.07 21.00 0 -23 4 338.17 25.80 0 23 4 282.77 22.40 0 23 4 288.57 17.90 0 23 4 278.27 17.70 0 23 4 278.87 17.70 1 -23 4 12.50 2.60 1 -23 4 10.50 1.80 1 -23 4 11.80 4.70 1 -23 4 8.40 6.00 1 -23 4 12.80 2.40 1 23 4 25.30 4.50 1 23 4 30.90 4.70 1 23 4 33.10 8.30 1 23 4 34.90 5.30 -2 -23 -4 912.81 62.19 2 -23 4 905.71 52.69 2 -23 4 1048.00 62.29 2 -23 4 972.20 53.69 2 -23 4 1005.90 53.19 2 -23 4 1045.20 57.69 2 23 4 899.41 48.40 2 23 4 845.92 48.40 2 23 4 828.62 48.40 2 23 4 833.12 54.19 2 23 4 869.81 49.10 3 -23 4 205.68 14.40 -3 -23 -4 262.47 22.00 3 -23 4 208.38 13.00 3 -23 4 189.78 19.90 3 -23 4 215.28 16.70 3 23 4 159.78 17.60 3 23 4 169.08 13.00 3 23 4 185.18 12.70 4 -23 4 330.77 21.50 4 -23 4 291.67 24.20 -4 -23 -4 262.87 23.90 4 -23 4 324.57 17.10 4 -23 4 300.97 18.00 4 23 4 204.08 14.40 4 23 4 212.98 20.40 5 -23 4 23.90 6.90 5 -23 4 23.60 3.50 5 -23 4 22.00 2.50 -5 -23 -4 27.90 9.60 -5 -23 -4 26.30 7.80 5 23 4 27.30 4.50 5 23 4 23.10 8.20 5 23 4 29.90 5.10 6 -23 4 456.05 25.90 -6 -23 -4 448.76 31.30 -6 -23 -4 474.85 32.10 6 23 4 305.97 24.30 6 23 4 300.17 18.10 -7 -23 -4 58.89 8.30 -7 -23 -4 61.19 8.20 7 -23 4 41.30 4.20 7 -23 4 40.70 4.00 7 23 4 60.59 4.80 7 23 4 54.69 8.90 8 -23 4 19.20 2.00 8 23 4 33.30 4.10 -10 24 4 44.80 4.70 -10 24 4 48.10 3.60 9 -24 -4 72.39 9.20 9 -24 -4 67.19 9.60 -9 24 4 21.50 4.70 9 24 -4 14.80 6.00 9 24 -4 11.00 6.20 8 -24 -4 348.07 27.70 8 -24 -4 375.36 27.20 8 24 -4 262.37 22.70 8 24 -4 239.08 23.40 7 -24 -4 682.33 44.70 7 -24 -4 642.44 45.80 -7 24 4 497.35 31.70 7 24 -4 486.35 37.60 7 24 -4 493.85 37.90 6 -24 -4 112.89 16.50 6 -24 -4 114.29 15.40 6 24 -4 98.49 15.30 6 24 -4 107.39 16.20 -6 24 4 139.99 12.70 5 -24 -4 61.69 11.90 5 -24 -4 48.20 7.70 5 -24 -4 52.09 13.40 5 24 -4 25.10 8.40 5 24 -4 30.90 9.50 4 -24 -4 179.48 21.00 4 -24 -4 180.18 19.00 4 -24 -4 162.28 15.40 -4 -24 4 203.78 11.80 -4 -24 4 191.68 10.90 -4 24 4 112.29 8.00 -4 24 4 127.89 13.10 -3 -24 4 52.19 5.40 -3 -24 4 59.99 4.40 -3 24 4 155.78 10.50 -3 24 4 150.18 10.80 -3 24 4 159.28 15.20 2 -24 -4 540.75 41.20 -2 -24 4 682.93 35.10 -2 -24 4 683.43 43.90 2 -24 -4 541.85 44.00 -2 -24 4 705.63 36.90 -2 -24 4 711.73 35.60 -2 24 4 420.86 24.70 -2 24 4 435.06 24.60 -2 24 4 392.36 28.90 -1 -24 4 355.56 25.50 -1 -24 4 388.66 21.20 -1 -24 4 376.96 28.90 -1 -24 4 371.66 20.70 -1 -24 4 354.26 20.90 -1 -24 4 386.26 22.70 -1 24 4 493.85 28.30 -1 24 4 476.25 32.90 -1 24 4 475.45 28.20 0 -24 4 21.10 5.30 0 -24 4 18.20 2.20 0 -24 4 17.60 2.90 0 -24 4 18.40 2.60 0 -24 4 13.30 6.20 0 24 4 27.10 7.00 0 24 4 31.20 4.20 0 24 4 32.30 4.50 0 24 4 36.40 5.20 1 -24 4 124.99 8.10 1 -24 4 128.49 8.00 1 -24 4 114.99 15.30 1 -24 4 109.19 7.20 1 -24 4 121.89 11.40 1 24 4 247.78 16.20 1 24 4 260.97 21.60 1 24 4 235.88 15.90 1 24 4 242.88 16.00 2 -24 4 470.75 26.20 2 -24 4 477.55 29.90 2 -24 4 482.15 34.40 2 -24 4 475.25 25.80 -2 -24 -4 408.96 34.10 2 24 4 264.97 17.70 2 24 4 282.87 23.30 2 24 4 294.27 18.00 2 24 4 293.87 18.50 2 24 4 238.18 18.70 3 -24 4 146.69 10.00 3 -24 4 144.39 16.80 3 -24 4 145.59 13.00 -3 -24 -4 179.18 17.40 -3 -24 -4 166.78 17.50 3 -24 4 143.09 9.40 3 24 4 88.09 8.50 3 24 4 98.89 13.80 3 24 4 88.39 8.50 3 24 4 91.89 8.30 4 -24 4 40.00 3.40 4 -24 4 34.40 4.20 4 24 4 42.00 9.70 4 24 4 53.99 6.20 4 24 4 45.30 6.00 5 -24 4 23.30 3.20 -5 -24 -4 17.40 7.30 5 -24 4 20.60 6.30 -5 -24 -4 14.80 6.50 5 24 4 60.99 11.70 5 24 4 88.69 10.60 5 24 4 61.79 6.10 6 -24 4 16.00 2.50 -6 -24 -4 10.30 5.50 -6 -24 -4 10.40 5.90 6 24 4 2.40 2.10 6 24 4 1.30 4.90 -7 -24 -4 19.70 5.80 -7 -24 -4 19.20 5.50 7 -24 4 27.90 3.40 7 -24 4 26.80 2.60 7 24 4 2.00 1.50 7 24 4 -0.20 3.80 -8 -24 -4 183.78 12.20 9 -25 -4 178.08 14.20 9 -25 -4 166.98 14.30 9 25 -4 80.19 10.90 8 -25 -4 382.06 27.10 8 -25 -4 370.66 27.80 -8 25 4 436.86 27.00 8 25 -4 415.26 32.60 8 25 -4 420.76 31.30 7 -25 -4 410.36 31.90 7 -25 -4 430.36 30.90 7 25 -4 300.17 26.70 -7 25 4 311.97 21.30 7 25 -4 273.67 25.30 6 -25 -4 72.19 13.40 -6 25 4 76.89 10.10 6 25 -4 101.69 16.50 5 -25 -4 39.10 10.60 5 -25 -4 35.30 11.30 5 -25 -4 29.80 6.10 5 25 -4 9.90 7.10 5 25 -4 5.20 6.30 -5 25 4 17.80 5.60 -4 -25 4 27.40 2.90 4 -25 -4 25.10 8.30 4 -25 -4 28.00 6.90 -4 -25 4 23.50 3.20 4 25 -4 50.49 11.10 -4 25 4 41.00 5.70 4 25 -4 48.90 10.60 3 -25 -4 392.96 31.60 -3 -25 4 350.86 21.90 -3 -25 4 345.87 20.70 3 -25 -4 413.26 29.30 3 25 -4 301.07 27.00 -3 25 4 336.17 19.50 -3 25 4 320.37 23.90 -3 25 4 301.07 18.70 -2 -25 4 874.51 47.90 -2 -25 4 907.71 49.50 2 -25 -4 870.81 58.19 2 -25 -4 830.22 54.49 -2 -25 4 947.21 48.40 -2 25 4 748.33 42.50 -2 25 4 755.42 47.60 -2 25 4 768.32 42.80 -1 -25 4 377.56 28.40 -1 -25 4 341.87 23.40 -1 -25 4 323.47 19.40 -1 -25 4 350.06 21.40 1 -25 -4 360.26 29.20 1 -25 -4 365.66 25.70 -1 -25 4 338.57 20.00 -1 25 4 314.67 19.20 -1 25 4 306.27 23.80 -1 25 4 310.07 19.20 0 -25 4 28.90 6.40 0 -25 4 19.00 2.70 0 -25 4 29.70 3.50 0 -25 4 20.20 7.10 0 -25 4 27.00 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7 27.70 3.60 -10 -3 7 13.40 2.30 -10 -3 7 9.90 2.50 -10 -3 7 11.70 2.60 -10 3 7 12.00 2.50 -10 3 7 11.80 2.40 10 3 -7 18.80 7.50 -9 -3 7 117.49 8.10 -9 -3 7 115.69 8.00 -9 -3 7 112.79 8.10 -9 -3 7 123.19 14.40 -9 3 7 89.09 6.70 -9 3 7 88.89 6.70 9 3 -7 71.69 13.00 -9 3 7 100.19 6.60 -8 -3 7 542.95 29.90 -8 -3 7 571.74 30.50 -8 -3 7 548.15 30.70 -8 -3 7 552.04 37.20 -8 -3 7 526.25 30.60 8 3 -7 656.33 46.30 -8 3 7 663.63 36.50 -8 3 7 643.14 36.40 -8 3 7 663.13 36.10 -7 -3 7 304.47 18.60 -7 -3 7 312.57 17.50 -7 -3 7 323.87 24.00 -7 3 7 394.86 22.50 7 3 -7 384.26 45.10 7 3 -7 411.06 30.70 -7 3 7 407.86 23.70 -6 -3 7 1005.20 53.59 -6 -3 7 980.10 53.29 -6 -3 7 994.90 52.79 -6 -3 7 1028.10 53.29 -6 -3 7 985.70 58.69 6 -3 -7 882.91 76.59 6 3 -7 720.93 43.80 6 3 -7 651.43 55.09 -6 3 7 677.73 36.90 -6 3 7 648.34 37.20 -6 3 7 685.03 37.20 6 3 -7 662.23 59.09 -5 -3 7 16.80 2.20 -5 -3 7 19.50 2.70 5 -3 -7 26.80 11.10 -5 -3 7 23.80 2.80 -5 -3 7 17.90 2.80 5 3 -7 17.50 9.20 -5 3 7 22.90 2.90 -5 3 7 23.70 2.70 5 3 -7 15.50 7.80 -5 3 7 29.20 3.10 -5 3 7 21.50 2.80 -5 3 7 17.90 3.40 -4 -3 7 860.01 47.00 -4 -3 7 886.61 47.40 -4 -3 7 894.51 47.10 4 -3 -7 817.42 65.99 -4 3 7 1007.90 53.69 4 3 -7 993.90 70.39 -4 3 7 1016.40 53.79 4 3 -7 987.20 67.39 -4 3 7 939.41 53.69 3 3 -7 336.37 29.20 3 3 -7 335.27 30.70 2 -3 -7 308.77 31.90 -2 -3 7 357.96 20.10 2 -3 -7 339.47 26.90 2 3 -7 304.67 27.10 -2 3 7 371.36 20.10 2 3 -7 309.27 27.50 1 -3 -7 76.59 9.40 1 -3 -7 53.59 14.00 1 -3 -7 57.99 12.70 1 3 -7 25.40 6.10 1 3 -7 19.50 6.60 0 -3 7 236.38 12.70 0 -3 7 207.88 14.70 0 -3 7 237.98 14.60 0 -3 7 181.78 13.00 0 -3 7 210.38 12.90 0 3 7 211.58 14.90 0 3 7 240.18 15.50 0 3 7 246.88 15.30 0 3 7 226.18 13.90 0 3 7 219.58 14.00 1 -3 7 1973.10 106.99 1 -3 7 2060.89 110.79 1 -3 7 1983.50 107.69 1 -3 7 1972.20 107.39 1 -3 7 1983.20 109.19 1 -3 7 2002.10 109.49 1 3 7 1599.84 87.79 1 3 7 1640.74 88.49 1 3 7 1616.64 90.09 1 3 7 1652.63 90.39 1 3 7 1660.03 90.19 2 -3 7 902.61 47.40 2 -3 7 932.41 50.09 2 -3 7 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7 251.77 20.90 -9 -4 7 224.58 14.10 -9 -4 7 237.48 14.00 -9 4 7 353.76 21.20 -9 4 7 376.56 21.20 -9 4 7 378.06 21.00 -8 -4 7 392.76 21.10 -8 -4 7 381.76 27.50 -8 -4 7 366.46 21.20 -8 -4 7 362.46 21.20 -8 -4 7 346.27 20.40 -8 4 7 442.76 25.50 8 4 -7 477.85 35.80 -8 4 7 448.76 25.50 -8 4 7 439.06 25.20 -7 -4 7 14.00 2.50 -7 -4 7 17.70 2.20 -7 -4 7 13.00 2.50 -7 -4 7 13.90 5.20 -7 4 7 60.49 4.70 7 4 -7 39.70 9.00 -7 4 7 61.79 5.10 7 4 -7 45.10 15.60 -6 -4 7 20.30 5.80 -6 -4 7 21.10 2.90 6 -4 -7 25.00 11.90 -6 -4 7 16.10 2.80 -6 -4 7 20.00 2.90 -6 -4 7 17.70 2.40 6 4 -7 34.40 9.40 -6 4 7 39.50 3.90 6 4 -7 37.50 13.40 -6 4 7 38.20 3.40 -6 4 7 39.60 3.90 6 4 -7 32.80 11.50 -5 -4 7 948.11 49.50 -5 -4 7 887.01 49.50 5 -4 -7 860.61 70.99 -5 -4 7 936.31 49.60 -5 -4 7 919.91 49.90 5 4 -7 741.83 61.79 -5 4 7 774.52 43.90 -5 4 7 832.22 44.10 5 4 -7 808.42 60.19 -5 4 7 843.82 43.80 -5 4 7 819.62 44.00 4 -4 -7 162.68 23.10 -4 -4 7 142.49 8.80 -4 -4 7 135.49 8.60 -4 -4 7 124.69 9.00 4 4 -7 133.89 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19.30 2 -4 7 341.47 19.30 2 -4 7 330.27 21.30 2 4 7 448.56 25.90 2 4 7 470.75 28.50 2 4 7 476.15 26.60 2 4 7 437.16 27.00 2 4 7 472.75 28.60 2 4 7 459.15 28.50 3 -4 7 82.19 10.60 3 -4 7 95.29 7.20 3 -4 7 97.99 9.30 3 4 7 75.59 13.20 3 4 7 72.89 5.80 3 4 7 72.79 7.40 3 4 7 64.89 7.90 4 -4 7 172.48 14.50 4 -4 7 157.88 13.60 4 -4 7 156.48 11.90 4 -4 7 176.48 11.80 4 -4 7 181.88 11.40 4 -4 7 179.18 11.70 4 -4 7 150.28 15.10 -4 -4 -7 209.88 15.20 -4 -4 -7 193.98 17.30 -4 4 -7 90.09 13.90 4 4 7 110.79 8.30 4 4 7 111.69 7.80 4 4 7 105.49 10.10 4 4 7 80.59 8.70 4 4 7 106.19 11.60 4 4 7 108.89 9.50 4 4 7 116.09 10.90 5 -4 7 242.68 18.30 5 -4 7 222.48 14.00 5 -4 7 225.18 14.10 5 -4 7 236.68 16.80 5 -4 7 208.38 16.50 5 -4 7 217.88 14.80 5 -4 7 229.58 14.40 5 4 7 284.77 19.60 -5 4 -7 273.57 20.60 5 4 7 224.58 17.70 5 4 7 240.18 15.50 5 4 7 238.38 17.10 5 4 7 231.88 16.90 5 4 7 250.57 15.30 5 4 7 240.88 17.90 6 -4 7 363.96 22.00 6 -4 7 372.16 24.30 6 -4 7 394.66 22.40 6 -4 7 397.76 25.80 6 -4 7 359.66 24.90 6 -4 7 382.96 22.10 -6 -4 -7 405.76 27.60 6 4 7 450.75 26.40 6 4 7 446.96 28.20 6 4 7 417.66 26.90 6 4 7 471.35 25.00 6 4 7 450.95 25.10 -6 4 -7 375.16 29.10 7 -4 7 44.60 6.80 7 -4 7 63.89 8.80 7 -4 7 39.00 4.10 7 -4 7 41.60 4.40 7 -4 7 40.40 4.40 7 4 7 35.30 7.00 7 4 7 19.30 3.10 7 4 7 32.00 5.20 7 4 7 23.80 3.30 -8 -4 -7 91.99 9.40 8 -4 7 90.69 5.90 8 -4 7 82.09 5.40 8 -4 7 91.29 5.80 8 4 7 75.89 5.40 -8 4 -7 99.29 9.50 8 4 7 84.19 7.70 8 4 7 74.69 5.70 9 -4 7 134.39 7.60 9 4 7 167.18 9.40 -13 5 7 24.60 2.10 -12 -5 7 150.68 9.20 -12 -5 7 150.28 9.10 12 -5 -7 168.88 14.90 -12 5 7 221.88 12.80 -11 -5 7 26.90 3.30 -11 5 7 15.70 2.40 -11 5 7 18.00 2.80 -11 5 7 17.40 2.40 -10 -5 7 296.47 23.60 -10 -5 7 288.97 16.80 -10 -5 7 302.67 17.10 -10 -5 7 294.97 17.30 10 5 -7 242.48 23.30 -10 5 7 241.98 14.30 -10 5 7 240.38 14.20 -9 -5 7 385.76 21.70 -9 -5 7 360.66 27.90 -9 -5 7 404.06 21.80 -9 -5 7 373.06 21.90 -9 5 7 488.65 27.00 -9 5 7 475.15 27.00 9 5 -7 435.66 36.90 -9 5 7 512.15 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2.60 -3 9 14 31.60 3.60 -3 9 14 22.60 3.70 -2 -9 14 63.89 4.00 -2 -9 14 60.69 3.80 -2 9 14 77.79 6.50 -2 9 14 92.69 6.10 -1 -9 14 19.50 1.70 -1 9 14 30.70 3.80 -1 9 14 45.30 4.00 0 9 14 0.50 2.70 -8 -10 14 2.30 0.60 -8 10 14 14.40 1.60 -7 -10 14 46.50 3.00 -7 -10 14 40.30 2.80 -7 10 14 49.40 4.10 -7 10 14 66.99 4.20 -6 -10 14 122.89 7.10 -6 -10 14 108.19 6.60 -6 10 14 85.69 6.10 -6 10 14 87.69 5.90 -5 -10 14 1.60 0.70 -5 -10 14 3.40 2.00 -5 10 14 5.10 2.20 -5 10 14 5.80 2.30 -4 -10 14 112.29 6.80 -4 -10 14 107.69 6.20 -4 -10 14 85.29 5.70 -4 10 14 45.40 3.60 -4 10 14 37.30 4.10 -3 -10 14 47.20 3.20 -3 -10 14 43.60 3.00 -3 -10 14 46.40 3.20 -3 10 14 48.20 4.20 -3 10 14 42.90 3.30 -3 10 14 36.80 4.50 -2 -10 14 2.30 0.80 -2 -10 14 2.10 1.00 -2 10 14 4.30 1.80 -2 10 14 0.70 2.20 -1 -10 14 166.58 9.20 -1 10 14 100.89 6.30 -1 10 14 95.99 7.00 -7 -11 14 2.80 0.80 -7 -11 14 1.90 0.90 -7 11 14 2.00 1.20 -7 11 14 1.20 1.20 -6 -11 14 64.59 4.10 -6 -11 14 61.69 3.90 -6 11 14 107.99 6.80 -6 11 14 107.49 7.00 -5 -11 14 119.59 7.10 -5 -11 14 118.49 7.00 -5 11 14 77.89 5.70 -5 11 14 75.29 5.20 -4 -11 14 49.00 3.20 -4 -11 14 55.39 3.70 -4 -11 14 50.39 3.50 -4 11 14 76.69 5.00 -4 11 14 65.69 5.40 -3 -11 14 43.30 2.90 -3 -11 14 44.80 3.10 -3 -11 14 45.50 3.10 -3 11 14 44.90 3.40 -3 11 14 47.30 4.20 -2 -11 14 22.50 1.90 -2 -11 14 21.60 1.80 -2 11 14 13.80 2.90 -2 11 14 23.10 2.80 -1 -11 14 18.10 1.70 -1 11 14 3.20 1.40 -7 -12 14 3.80 0.90 -7 -12 14 2.90 0.80 -7 12 14 0.80 0.90 -7 12 14 1.80 1.40 -6 -12 14 7.90 1.20 -6 -12 14 10.10 1.50 -6 12 14 8.50 1.90 -6 12 14 12.10 1.80 -5 -12 14 243.38 13.70 -5 -12 14 239.18 13.60 -5 -12 14 257.47 13.70 -5 12 14 120.59 7.40 -5 12 14 108.89 7.10 -4 -12 14 50.59 3.40 -4 -12 14 46.70 3.00 -4 -12 14 48.20 3.30 -4 12 14 60.59 4.70 -4 12 14 53.29 4.10 -3 -12 14 69.69 4.30 -3 -12 14 75.79 4.50 -3 12 14 56.19 4.30 -3 12 14 45.30 3.50 -2 -12 14 13.80 1.50 -2 -12 14 14.80 1.40 -2 12 14 10.60 2.00 -2 12 14 8.30 2.30 -1 -12 14 41.20 2.50 -7 -13 14 12.00 1.40 -7 -13 14 7.70 1.10 -7 13 14 0.40 0.70 -6 -13 14 28.50 2.10 -6 -13 14 23.20 1.90 -6 13 14 26.50 2.70 -6 13 14 21.50 2.10 -5 -13 14 16.70 1.80 -5 -13 14 16.50 1.60 -5 -13 14 12.80 1.20 -5 13 14 18.80 2.50 -5 13 14 17.00 2.20 -4 -13 14 14.20 1.40 -4 -13 14 18.20 1.70 -4 -13 14 19.30 1.80 -4 13 14 33.10 3.90 -4 13 14 49.30 3.30 -3 -13 14 30.90 2.20 -3 -13 14 36.80 2.50 -3 13 14 24.60 3.30 -2 -13 14 77.89 4.90 -2 -13 14 93.49 5.20 -2 13 14 76.59 5.10 -6 -14 14 59.99 4.20 -6 14 14 42.30 3.70 -5 -14 14 22.90 1.90 -5 -14 14 24.90 2.00 -5 14 14 25.10 2.40 -5 14 14 27.20 2.80 -4 -14 14 45.80 3.10 -4 -14 14 52.49 3.60 -4 14 14 12.70 1.70 -4 14 14 16.00 2.40 -3 -14 14 94.09 6.20 -3 -14 14 115.09 6.10 -3 14 14 47.10 3.60 -3 14 14 41.50 3.80 -2 -14 14 53.89 3.30 -2 -14 14 53.19 3.20 -2 14 14 31.90 2.70 -5 15 14 228.48 12.20 -5 15 14 176.58 11.80 -4 -15 14 15.70 1.50 -4 15 14 22.90 2.00 -4 15 14 24.40 2.80 -3 -15 14 6.10 0.90 -3 -15 14 2.90 0.90 -3 15 14 26.10 2.80 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 26686 _olex2_exptl_crystal_mounting_method tip-mounted _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Br1 Br 1.17959(7) 0.35524(3) 0.91333(6) 0.0214(3) Uani 0.918(4) 1 d . . P A 1 Br1A Br 0.670(2) 0.3833(6) 0.7347(16) 0.041(5) Uiso 0.082(4) 1 d . . P A 2 Mn1 Mn 0.93029(10) 0.36861(4) 0.82522(9) 0.0165(2) Uani 1 1 d D . . . . P1 P 0.95374(16) 0.37016(6) 0.64171(14) 0.0177(3) Uani 1 1 d . . . . . P2 P 0.91228(16) 0.36906(6) 1.00399(14) 0.0178(3) Uani 1 1 d . . . . . O1 O 0.6385(7) 0.3707(4) 0.7281(7) 0.0345(18) Uani 0.918(4) 1 d D . P A 1 O1A O 1.197(5) 0.332(4) 0.861(11) 0.07(3) Uiso 0.082(4) 1 d D . P A 2 O2 O 0.9521(6) 0.46795(18) 0.8291(5) 0.0308(12) Uani 1 1 d . . . . . O3 O 0.8966(5) 0.31916(17) 1.0536(4) 0.0230(10) Uani 1 1 d . . . . . N1 N 0.9308(6) 0.2955(2) 0.8173(5) 0.0217(12) Uani 1 1 d . . . . . H1 H 1.021822 0.289238 0.812573 0.026 Uiso 1 1 calc R U . . . C1 C 0.8131(7) 0.3932(2) 0.5206(6) 0.0230(14) Uani 1 1 d . . . . . C2 C 0.7858(7) 0.3789(3) 0.4059(6) 0.0249(15) Uani 1 1 d . . . . . H2 H 0.836992 0.355142 0.388621 0.030 Uiso 1 1 calc R U . . . C3 C 0.6843(8) 0.3989(3) 0.3157(7) 0.0317(17) Uani 1 1 d . . . . . H3 H 0.667616 0.389155 0.237303 0.038 Uiso 1 1 calc R U . . . C4 C 0.6079(8) 0.4329(3) 0.3400(7) 0.0343(19) Uani 1 1 d . . . . . H4 H 0.538010 0.446353 0.278606 0.041 Uiso 1 1 calc R U . . . C5 C 0.6330(9) 0.4473(3) 0.4540(8) 0.041(2) Uani 1 1 d . . . . . H5 H 0.579470 0.470418 0.470861 0.049 Uiso 1 1 calc R U . . . C6 C 0.7362(8) 0.4282(3) 0.5438(7) 0.0337(18) Uani 1 1 d . . . . . H6 H 0.754707 0.438887 0.621532 0.040 Uiso 1 1 calc R U . . . C7 C 1.0925(7) 0.4047(2) 0.6315(6) 0.0194(13) Uani 1 1 d . . . . . C8 C 1.0714(8) 0.4502(3) 0.5984(7) 0.0287(16) Uani 1 1 d . . . . . H8 H 0.983257 0.462093 0.574176 0.034 Uiso 1 1 calc R U . . . C9 C 1.1778(9) 0.4781(3) 0.6006(8) 0.0361(19) Uani 1 1 d . . . . . H9 H 1.162395 0.508993 0.578838 0.043 Uiso 1 1 calc R U . . . C10 C 1.3061(9) 0.4609(3) 0.6345(8) 0.039(2) Uani 1 1 d . . . . . H10 H 1.378677 0.479840 0.634826 0.046 Uiso 1 1 calc R U . . . C11 C 1.3288(8) 0.4162(3) 0.6678(7) 0.0322(17) Uani 1 1 d . . . . . H11 H 1.417320 0.404587 0.691306 0.039 Uiso 1 1 calc R U . . . C12 C 1.2233(7) 0.3877(3) 0.6675(6) 0.0238(14) Uani 1 1 d . . . . . H12 H 1.239905 0.357038 0.691429 0.029 Uiso 1 1 calc R U . . . C13 C 0.9780(7) 0.3146(2) 0.5830(6) 0.0196(13) Uani 1 1 d . . . . . C14 C 1.0485(7) 0.3099(2) 0.5036(6) 0.0226(14) Uani 1 1 d . . . . . H14 H 1.093819 0.335295 0.486059 0.027 Uiso 1 1 calc R U . . . C15 C 1.0530(7) 0.2687(3) 0.4504(6) 0.0249(14) Uani 1 1 d . . . . . H15 H 1.100121 0.266057 0.395683 0.030 Uiso 1 1 calc R U . . . C16 C 0.9887(8) 0.2313(3) 0.4768(7) 0.0286(16) Uani 1 1 d . . . . . H16 H 0.989728 0.203224 0.438805 0.034 Uiso 1 1 calc R U . . . C17 C 0.9225(8) 0.2350(3) 0.5594(6) 0.0273(15) Uani 1 1 d . . . . . H17 H 0.881466 0.209103 0.579588 0.033 Uiso 1 1 calc R U . . . C18 C 0.9161(7) 0.2767(2) 0.6127(6) 0.0201(13) Uani 1 1 d . . . . . C19 C 0.8426(7) 0.2784(2) 0.7006(6) 0.0227(14) Uani 1 1 d . . . . . H19A H 0.809978 0.247702 0.710275 0.027 Uiso 1 1 calc R U . . . H19B H 0.763995 0.298495 0.671096 0.027 Uiso 1 1 calc R U . . . C20 C 0.9245(7) 0.2631(2) 0.9114(6) 0.0211(13) Uani 1 1 d . . . . . H20 H 0.829346 0.253960 0.896035 0.025 Uiso 1 1 calc R U . . . C21 C 0.9779(7) 0.2827(2) 1.0351(6) 0.0225(14) Uani 1 1 d . . . . . H21 H 1.071898 0.293294 1.051095 0.027 Uiso 1 1 calc R U . . . C22 C 0.9728(10) 0.2468(3) 1.1252(7) 0.0345(18) Uani 1 1 d . . . . . H22A H 1.008556 0.259888 1.204611 0.041 Uiso 1 1 calc R U . . . H22B H 0.878650 0.238170 1.112095 0.041 Uiso 1 1 calc R U . . . C23 C 1.0528(11) 0.2044(3) 1.1185(8) 0.042(2) Uani 1 1 d . . . . . H23A H 1.148618 0.212134 1.138650 0.050 Uiso 1 1 calc R U . . . H23B H 1.043079 0.181613 1.175340 0.050 Uiso 1 1 calc R U . . . C24 C 1.0022(11) 0.1849(3) 0.9954(8) 0.040(2) Uani 1 1 d . . . . . H24A H 0.909457 0.174009 0.978919 0.048 Uiso 1 1 calc R U . . . H24B H 1.058369 0.158803 0.989549 0.048 Uiso 1 1 calc R U . . . C25 C 1.0061(9) 0.2206(3) 0.9053(7) 0.0300(16) Uani 1 1 d . . . . . H25A H 0.970634 0.207315 0.826055 0.036 Uiso 1 1 calc R U . . . H25B H 1.100011 0.229476 0.918178 0.036 Uiso 1 1 calc R U . . . C26 C 1.0381(7) 0.3972(2) 1.1263(6) 0.0194(13) Uani 1 1 d . . . . . C27 C 1.1251(7) 0.4295(3) 1.1066(6) 0.0237(14) Uani 1 1 d . . . . . H27 H 1.123494 0.435905 1.029086 0.028 Uiso 1 1 calc R U . . . C28 C 1.2139(7) 0.4522(3) 1.2005(7) 0.0253(15) Uani 1 1 d . . . . . H28 H 1.271308 0.474730 1.186888 0.030 Uiso 1 1 calc R U . . . C29 C 1.2188(8) 0.4422(3) 1.3130(6) 0.0281(16) Uani 1 1 d . . . . . H29 H 1.281083 0.457240 1.377081 0.034 Uiso 1 1 calc R U . . . C30 C 1.1330(9) 0.4102(3) 1.3329(7) 0.0361(19) Uani 1 1 d . . . . . H30 H 1.135779 0.403656 1.410620 0.043 Uiso 1 1 calc R U . . . C31 C 1.0424(8) 0.3875(3) 1.2393(6) 0.0274(16) Uani 1 1 d . . . . . H31 H 0.983923 0.365524 1.253354 0.033 Uiso 1 1 calc R U . . . C32 C 0.7587(7) 0.3926(2) 1.0147(6) 0.0213(13) Uani 1 1 d . . . . . C33 C 0.7479(7) 0.4388(3) 1.0341(6) 0.0261(15) Uani 1 1 d . . . . . H33 H 0.824579 0.457668 1.050896 0.031 Uiso 1 1 calc R U . . . C34 C 0.6252(8) 0.4574(3) 1.0288(7) 0.0306(16) Uani 1 1 d . . . . . H34 H 0.618576 0.488876 1.041592 0.037 Uiso 1 1 calc R U . . . C35 C 0.5128(8) 0.4304(3) 1.0051(7) 0.0354(19) Uani 1 1 d . . . . . H35 H 0.429050 0.443152 1.001318 0.042 Uiso 1 1 calc R U . . . C36 C 0.5240(8) 0.3844(3) 0.9869(8) 0.038(2) Uani 1 1 d . . . . . H36 H 0.447428 0.365537 0.971118 0.045 Uiso 1 1 calc R U . . . C37 C 0.6449(7) 0.3657(3) 0.9914(7) 0.0326(17) Uani 1 1 d . . . . . H37 H 0.650759 0.334188 0.978502 0.039 Uiso 1 1 calc R U . . . C38 C 0.7551(8) 0.3703(3) 0.7673(6) 0.0228(15) Uani 0.918(4) 1 d D . P A 1 C38A C 1.088(4) 0.344(3) 0.849(9) 0.03(2) Uiso 0.082(4) 1 d D . P A 2 C39 C 0.9444(7) 0.4286(2) 0.8288(6) 0.0205(14) Uani 1 1 d . . . . . Br2 Br 0.28322(7) 0.66217(2) 0.27602(6) 0.0194(3) Uani 0.936(4) 1 d . . P B 1 Br2A Br 0.411(3) 0.5523(12) 0.347(2) 0.058(8) Uiso 0.064(4) 1 d . . P B 2 Mn2 Mn 0.50789(10) 0.62708(3) 0.38162(9) 0.0153(2) Uani 1 1 d D . . . . P3 P 0.54058(16) 0.61736(5) 0.20027(14) 0.0168(3) Uani 1 1 d . . . . . P4 P 0.48222(17) 0.63546(6) 0.55714(14) 0.0175(3) Uani 1 1 d . . . . . O4 O 0.7770(5) 0.5934(2) 0.5069(5) 0.0313(12) Uani 1 1 d D . . . . O5 O 0.4068(6) 0.5334(2) 0.3680(6) 0.0253(13) Uani 0.936(4) 1 d . . P B 1 O5A O 0.217(3) 0.637(4) 0.303(9) 0.05(3) Uiso 0.064(4) 1 d D . P B 2 O6 O 0.5355(5) 0.68366(17) 0.6180(4) 0.0228(10) Uani 1 1 d . . . . . N2 N 0.5750(5) 0.69721(19) 0.3811(5) 0.0172(11) Uani 1 1 d . . . . . H2A H 0.498503 0.710841 0.318091 0.021 Uiso 1 1 calc R U . . . C40 C 0.4225(7) 0.5835(2) 0.0844(6) 0.0207(13) Uani 1 1 d . . . . . C41 C 0.2950(7) 0.5733(2) 0.0877(6) 0.0231(14) Uani 1 1 d . . . . . H41 H 0.268023 0.583622 0.151145 0.028 Uiso 1 1 calc R U . . . C42 C 0.2073(8) 0.5481(3) -0.0011(6) 0.0280(16) Uani 1 1 d . . . . . H42 H 0.120119 0.541733 0.001195 0.034 Uiso 1 1 calc R U . . . C43 C 0.2460(8) 0.5322(3) -0.0928(7) 0.0289(16) Uani 1 1 d . . . . . H43 H 0.185992 0.514598 -0.152762 0.035 Uiso 1 1 calc R U . . . C44 C 0.3727(8) 0.5421(3) -0.0975(7) 0.0288(16) Uani 1 1 d . . . . . H44 H 0.398976 0.531637 -0.161295 0.035 Uiso 1 1 calc R U . . . C45 C 0.4604(7) 0.5671(2) -0.0091(6) 0.0231(14) Uani 1 1 d . . . . . H45 H 0.547552 0.573322 -0.011752 0.028 Uiso 1 1 calc R U . . . C46 C 0.7009(7) 0.5892(2) 0.2123(6) 0.0208(13) Uani 1 1 d . . . . . C47 C 0.7183(8) 0.5447(3) 0.2553(7) 0.0258(15) Uani 1 1 d . . . . . H47 H 0.648205 0.529987 0.274396 0.031 Uiso 1 1 calc R U . . . C48 C 0.8378(8) 0.5221(3) 0.2698(7) 0.0314(17) Uani 1 1 d . . . . . H48 H 0.848709 0.491793 0.297636 0.038 Uiso 1 1 calc R U . . . C49 C 0.9407(8) 0.5436(3) 0.2440(7) 0.0303(16) Uani 1 1 d . . . . . H49 H 1.022458 0.528095 0.254872 0.036 Uiso 1 1 calc R U . . . C50 C 0.9260(8) 0.5875(3) 0.2024(8) 0.0338(18) Uani 1 1 d . . . . . H50 H 0.997095 0.602003 0.184421 0.041 Uiso 1 1 calc R U . . . C51 C 0.8053(8) 0.6104(3) 0.1870(7) 0.0265(15) Uani 1 1 d . . . . . H51 H 0.795126 0.640679 0.158991 0.032 Uiso 1 1 calc R U . . . C52 C 0.5524(7) 0.6710(2) 0.1283(6) 0.0196(13) Uani 1 1 d . . . . . C53 C 0.4910(9) 0.6783(3) 0.0094(7) 0.0291(16) Uani 1 1 d . . . . . H53 H 0.438496 0.655066 -0.037833 0.035 Uiso 1 1 calc R U . . . C54 C 0.5057(10) 0.7196(3) -0.0414(7) 0.039(2) Uani 1 1 d . . . . . H54 H 0.461041 0.724640 -0.122260 0.047 Uiso 1 1 calc R U . . . C55 C 0.5842(10) 0.7529(3) 0.0251(8) 0.038(2) Uani 1 1 d . . . . . H55 H 0.597789 0.780438 -0.010137 0.046 Uiso 1 1 calc R U . . . C56 C 0.6438(9) 0.7463(3) 0.1441(7) 0.0287(16) Uani 1 1 d . . . . . H56 H 0.696591 0.769777 0.190064 0.034 Uiso 1 1 calc R U . . . C57 C 0.6280(7) 0.7060(2) 0.1977(6) 0.0210(13) Uani 1 1 d . . . . . C58 C 0.6860(7) 0.7006(2) 0.3279(6) 0.0213(13) Uani 1 1 d . . . . . H58A H 0.743581 0.726864 0.361572 0.026 Uiso 1 1 calc R U . . . H58B H 0.741668 0.672928 0.346369 0.026 Uiso 1 1 calc R U . . . C59 C 0.5960(7) 0.7315(2) 0.4774(6) 0.0191(13) Uani 1 1 d . . . . . H59 H 0.689834 0.728436 0.531270 0.023 Uiso 1 1 calc R U . . . C60 C 0.5014(7) 0.7245(2) 0.5491(6) 0.0214(13) Uani 1 1 d . . . . . H60 H 0.407309 0.722407 0.495338 0.026 Uiso 1 1 calc R U . . . C61 C 0.5122(8) 0.7619(3) 0.6386(7) 0.0277(15) Uani 1 1 d . . . . . H61A H 0.442791 0.757196 0.676299 0.033 Uiso 1 1 calc R U . . . H61B H 0.600392 0.759871 0.700187 0.033 Uiso 1 1 calc R U . . . C62 C 0.4960(9) 0.8093(3) 0.5852(7) 0.0303(16) Uani 1 1 d . . . . . H62A H 0.403978 0.813038 0.530795 0.036 Uiso 1 1 calc R U . . . H62B H 0.510845 0.832239 0.647861 0.036 Uiso 1 1 calc R U . . . C63 C 0.5952(8) 0.8164(3) 0.5199(7) 0.0293(16) Uani 1 1 d . . . . . H63A H 0.687268 0.815405 0.575641 0.035 Uiso 1 1 calc R U . . . H63B H 0.580921 0.846554 0.482125 0.035 Uiso 1 1 calc R U . . . C64 C 0.5780(7) 0.7796(2) 0.4269(6) 0.0234(14) Uani 1 1 d . . . . . H64A H 0.643852 0.784690 0.385568 0.028 Uiso 1 1 calc R U . . . H64B H 0.487705 0.782240 0.368712 0.028 Uiso 1 1 calc R U . . . C65 C 0.3221(7) 0.6289(2) 0.5834(6) 0.0211(13) Uani 1 1 d . . . . . C66 C 0.3151(7) 0.6427(3) 0.6930(6) 0.0244(14) Uani 1 1 d . . . . . H66 H 0.389893 0.656893 0.747612 0.029 Uiso 1 1 calc R U . . . C67 C 0.1997(8) 0.6356(3) 0.7218(7) 0.0300(16) Uani 1 1 d . . . . . H67 H 0.195477 0.645331 0.795497 0.036 Uiso 1 1 calc R U . . . C68 C 0.0912(7) 0.6144(3) 0.6437(7) 0.0263(15) Uani 1 1 d . . . . . H68 H 0.013417 0.608654 0.664651 0.032 Uiso 1 1 calc R U . . . C69 C 0.0955(7) 0.6015(3) 0.5345(7) 0.0241(14) Uani 1 1 d . . . . . H69 H 0.019281 0.588084 0.479583 0.029 Uiso 1 1 calc R U . . . C70 C 0.2113(7) 0.6080(2) 0.5053(6) 0.0220(14) Uani 1 1 d . . . . . H70 H 0.214637 0.598087 0.431497 0.026 Uiso 1 1 calc R U . . . C71 C 0.5873(7) 0.5993(2) 0.6743(6) 0.0201(13) Uani 1 1 d . . . . . C72 C 0.6843(10) 0.6160(3) 0.7695(9) 0.049(3) Uani 1 1 d . . . . . H72 H 0.698711 0.647734 0.777173 0.059 Uiso 1 1 calc R U . . . C73 C 0.7625(12) 0.5872(4) 0.8557(10) 0.061(3) Uani 1 1 d . . . . . H73 H 0.831111 0.599434 0.920348 0.073 Uiso 1 1 calc R U . . . C74 C 0.7419(8) 0.5418(3) 0.8483(7) 0.0342(18) Uani 1 1 d . . . . . H74 H 0.795294 0.522363 0.907542 0.041 Uiso 1 1 calc R U . . . C75 C 0.6429(9) 0.5243(3) 0.7541(8) 0.0355(18) Uani 1 1 d . . . . . H75 H 0.626990 0.492573 0.748606 0.043 Uiso 1 1 calc R U . . . C76 C 0.5660(8) 0.5529(3) 0.6669(8) 0.0340(18) Uani 1 1 d . . . . . H76 H 0.498302 0.540582 0.601674 0.041 Uiso 1 1 calc R U . . . C77 C 0.6724(7) 0.6068(2) 0.4564(6) 0.0221(14) Uani 1 1 d D . . . . C78 C 0.4463(8) 0.5715(3) 0.3733(7) 0.0172(14) Uani 0.936(4) 1 d . . P B 1 C78A C 0.330(2) 0.633(6) 0.326(13) 0.05(4) Uiso 0.064(4) 1 d D . P B 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Br1 0.0144(4) 0.0232(4) 0.0250(4) -0.0025(3) 0.0040(3) 0.0000(3) Mn1 0.0143(5) 0.0163(5) 0.0180(5) -0.0011(4) 0.0038(4) -0.0004(4) P1 0.0169(7) 0.0157(7) 0.0197(7) 0.0014(6) 0.0049(6) 0.0010(6) P2 0.0168(7) 0.0176(8) 0.0185(7) -0.0017(6) 0.0050(6) -0.0034(6) O1 0.012(3) 0.051(6) 0.035(4) -0.007(4) 0.000(3) 0.002(3) O2 0.038(3) 0.018(3) 0.035(3) -0.003(2) 0.010(2) 0.001(2) O3 0.027(3) 0.020(2) 0.024(2) -0.0025(19) 0.012(2) -0.003(2) N1 0.025(3) 0.020(3) 0.019(3) -0.001(2) 0.005(2) -0.003(2) C1 0.018(3) 0.019(3) 0.031(4) 0.005(3) 0.008(3) -0.002(3) C2 0.023(3) 0.032(4) 0.020(3) 0.008(3) 0.007(3) 0.003(3) C3 0.026(4) 0.039(5) 0.029(4) 0.010(3) 0.007(3) -0.002(3) C4 0.023(4) 0.048(5) 0.027(4) 0.019(3) 0.001(3) 0.007(3) C5 0.028(4) 0.045(5) 0.048(5) 0.011(4) 0.009(4) 0.020(4) C6 0.031(4) 0.039(5) 0.030(4) 0.004(3) 0.009(3) 0.014(4) C7 0.019(3) 0.020(3) 0.018(3) -0.002(2) 0.005(2) -0.001(3) C8 0.033(4) 0.020(4) 0.033(4) 0.001(3) 0.012(3) -0.001(3) C9 0.048(5) 0.020(4) 0.042(5) 0.001(3) 0.017(4) -0.010(3) C10 0.038(5) 0.043(5) 0.038(5) -0.013(4) 0.017(4) -0.023(4) C11 0.024(4) 0.043(5) 0.030(4) -0.009(3) 0.009(3) -0.007(3) C12 0.023(3) 0.028(4) 0.021(3) -0.003(3) 0.007(3) 0.003(3) C13 0.021(3) 0.015(3) 0.020(3) 0.002(2) 0.002(3) 0.002(2) C14 0.023(3) 0.022(3) 0.022(3) 0.001(3) 0.006(3) 0.002(3) C15 0.025(4) 0.026(4) 0.020(3) -0.001(3) 0.003(3) 0.003(3) C16 0.031(4) 0.022(4) 0.027(4) -0.007(3) 0.000(3) 0.001(3) C17 0.031(4) 0.025(4) 0.022(3) -0.002(3) 0.002(3) -0.005(3) C18 0.018(3) 0.018(3) 0.019(3) -0.001(2) -0.003(2) -0.001(2) C19 0.027(4) 0.018(3) 0.021(3) -0.004(2) 0.005(3) -0.009(3) C20 0.022(3) 0.018(3) 0.022(3) 0.001(2) 0.004(3) -0.003(3) C21 0.022(3) 0.022(3) 0.020(3) -0.002(3) 0.002(3) -0.001(3) C22 0.047(5) 0.027(4) 0.025(4) 0.003(3) 0.004(3) 0.002(3) C23 0.056(6) 0.033(5) 0.030(4) 0.006(3) 0.004(4) 0.010(4) C24 0.056(6) 0.025(4) 0.034(4) 0.005(3) 0.006(4) 0.012(4) C25 0.039(4) 0.025(4) 0.024(4) -0.003(3) 0.007(3) 0.006(3) C26 0.018(3) 0.017(3) 0.021(3) -0.001(2) 0.004(2) 0.000(2) C27 0.022(3) 0.027(4) 0.022(3) 0.000(3) 0.007(3) -0.003(3) C28 0.023(3) 0.021(3) 0.030(4) -0.003(3) 0.005(3) -0.008(3) C29 0.028(4) 0.026(4) 0.024(3) -0.003(3) 0.000(3) -0.009(3) C30 0.051(5) 0.035(4) 0.021(4) -0.003(3) 0.009(3) -0.020(4) C31 0.036(4) 0.024(4) 0.022(4) -0.003(3) 0.009(3) -0.012(3) C32 0.017(3) 0.023(3) 0.022(3) -0.001(3) 0.004(2) 0.000(3) C33 0.023(3) 0.028(4) 0.027(4) 0.001(3) 0.008(3) 0.002(3) C34 0.030(4) 0.032(4) 0.029(4) 0.002(3) 0.008(3) 0.012(3) C35 0.025(4) 0.055(5) 0.025(4) 0.006(3) 0.006(3) 0.013(4) C36 0.016(4) 0.043(5) 0.051(5) 0.002(4) 0.008(3) -0.003(3) C37 0.023(3) 0.030(4) 0.042(4) -0.005(3) 0.007(3) -0.006(3) C38 0.021(4) 0.026(4) 0.020(3) 0.001(3) 0.005(3) 0.009(3) C39 0.018(3) 0.026(4) 0.018(3) -0.003(2) 0.006(2) 0.001(3) Br2 0.0162(4) 0.0163(4) 0.0249(4) -0.0001(3) 0.0056(3) 0.0017(3) Mn2 0.0139(5) 0.0134(5) 0.0190(5) -0.0021(4) 0.0058(4) -0.0019(4) P3 0.0172(7) 0.0147(8) 0.0189(8) -0.0024(6) 0.0066(6) -0.0022(6) P4 0.0173(8) 0.0158(8) 0.0199(8) -0.0018(6) 0.0065(6) -0.0021(6) O4 0.015(2) 0.049(4) 0.026(3) 0.002(2) 0.002(2) 0.005(2) O5 0.028(3) 0.012(3) 0.035(3) 0.003(2) 0.008(2) -0.006(2) O6 0.029(3) 0.019(2) 0.021(2) -0.0002(18) 0.008(2) -0.003(2) N2 0.017(3) 0.016(3) 0.019(3) -0.002(2) 0.007(2) -0.002(2) C40 0.025(3) 0.015(3) 0.024(3) 0.000(2) 0.010(3) 0.001(3) C41 0.024(3) 0.023(4) 0.021(3) -0.001(3) 0.006(3) -0.002(3) C42 0.028(4) 0.029(4) 0.025(4) -0.004(3) 0.006(3) -0.008(3) C43 0.031(4) 0.024(4) 0.025(4) -0.005(3) 0.000(3) -0.008(3) C44 0.039(4) 0.025(4) 0.024(3) -0.005(3) 0.012(3) -0.001(3) C45 0.025(3) 0.019(3) 0.027(4) -0.002(3) 0.011(3) 0.000(3) C46 0.020(3) 0.026(4) 0.016(3) -0.006(2) 0.006(2) -0.003(3) C47 0.025(4) 0.023(4) 0.030(4) -0.004(3) 0.010(3) 0.000(3) C48 0.032(4) 0.025(4) 0.035(4) -0.003(3) 0.007(3) 0.005(3) C49 0.022(4) 0.040(4) 0.029(4) -0.004(3) 0.007(3) 0.008(3) C50 0.024(4) 0.041(5) 0.041(5) -0.004(4) 0.016(3) 0.002(3) C51 0.027(4) 0.027(4) 0.030(4) 0.000(3) 0.015(3) 0.000(3) C52 0.022(3) 0.014(3) 0.025(3) -0.003(2) 0.011(3) -0.001(2) C53 0.040(4) 0.018(3) 0.026(4) 0.001(3) 0.006(3) -0.006(3) C54 0.059(6) 0.029(4) 0.024(4) 0.003(3) 0.006(4) -0.004(4) C55 0.062(6) 0.023(4) 0.031(4) 0.002(3) 0.017(4) -0.013(4) C56 0.038(4) 0.024(4) 0.028(4) -0.006(3) 0.015(3) -0.011(3) C57 0.024(3) 0.019(3) 0.023(3) -0.002(3) 0.012(3) -0.005(3) C58 0.023(3) 0.022(3) 0.022(3) -0.004(3) 0.011(3) -0.006(3) C59 0.020(3) 0.018(3) 0.018(3) -0.005(2) 0.005(2) -0.002(2) C60 0.023(3) 0.018(3) 0.024(3) -0.001(3) 0.009(3) -0.003(3) C61 0.031(4) 0.023(4) 0.031(4) 0.001(3) 0.013(3) 0.001(3) C62 0.042(4) 0.021(4) 0.030(4) -0.004(3) 0.016(3) 0.004(3) C63 0.039(4) 0.020(4) 0.031(4) -0.003(3) 0.013(3) -0.002(3) C64 0.026(4) 0.019(3) 0.025(3) -0.001(3) 0.009(3) -0.004(3) C65 0.021(3) 0.018(3) 0.026(3) 0.005(3) 0.009(3) 0.003(3) C66 0.023(3) 0.033(4) 0.018(3) -0.003(3) 0.007(3) 0.000(3) C67 0.028(4) 0.037(4) 0.028(4) 0.002(3) 0.014(3) 0.005(3) C68 0.020(3) 0.030(4) 0.033(4) 0.005(3) 0.013(3) 0.004(3) C69 0.017(3) 0.025(4) 0.031(4) 0.000(3) 0.008(3) -0.001(3) C70 0.021(3) 0.022(3) 0.025(3) -0.003(3) 0.010(3) -0.002(3) C71 0.018(3) 0.021(3) 0.021(3) 0.003(3) 0.006(3) 0.002(3) C72 0.054(6) 0.024(4) 0.045(5) 0.001(4) -0.019(4) -0.004(4) C73 0.059(7) 0.041(6) 0.050(6) 0.002(4) -0.028(5) -0.008(5) C74 0.030(4) 0.035(4) 0.033(4) 0.011(3) 0.005(3) 0.012(3) C75 0.041(5) 0.023(4) 0.038(4) 0.012(3) 0.006(4) 0.002(3) C76 0.031(4) 0.023(4) 0.037(4) 0.004(3) -0.003(3) -0.004(3) C77 0.025(4) 0.023(3) 0.018(3) -0.001(3) 0.008(3) -0.002(3) C78 0.015(3) 0.016(4) 0.022(4) -0.002(3) 0.007(3) -0.002(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Mn Mn -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag P1 Mn1 Br1 89.31(6) . . ? P1 Mn1 Br1A 91.0(4) . . ? P2 Mn1 Br1 89.74(6) . . ? P2 Mn1 Br1A 89.9(4) . . ? P2 Mn1 P1 178.09(8) . . ? N1 Mn1 Br1 81.15(17) . . ? N1 Mn1 Br1A 99.3(4) . . ? N1 Mn1 P1 88.56(16) . . ? N1 Mn1 P2 92.93(17) . . ? C38 Mn1 Br1 172.5(3) . . ? C38 Mn1 P1 92.4(2) . . ? C38 Mn1 P2 88.7(2) . . ? C38 Mn1 N1 91.6(3) . . ? C38 Mn1 C39 92.9(4) . . ? C38A Mn1 Br1A 160(3) . . ? C38A Mn1 P1 77(3) . . ? C38A Mn1 P2 103(3) . . ? C38A Mn1 N1 65(3) . . ? C38A Mn1 C39 110(3) . . ? C39 Mn1 Br1 94.4(2) . . ? C39 Mn1 Br1A 85.1(4) . . ? C39 Mn1 P1 88.2(2) . . ? C39 Mn1 P2 90.2(2) . . ? C39 Mn1 N1 174.6(3) . . ? C1 P1 Mn1 117.4(2) . . ? C7 P1 Mn1 114.4(2) . . ? C7 P1 C1 101.6(3) . . ? C7 P1 C13 105.0(3) . . ? C13 P1 Mn1 115.1(2) . . ? C13 P1 C1 101.6(3) . . ? O3 P2 Mn1 113.82(19) . . ? O3 P2 C26 104.3(3) . . ? O3 P2 C32 97.1(3) . . ? C26 P2 Mn1 121.1(2) . . ? C32 P2 Mn1 115.5(2) . . ? C32 P2 C26 101.7(3) . . ? C21 O3 P2 119.1(4) . . ? Mn1 N1 H1 101.7 . . ? C19 N1 Mn1 111.5(4) . . ? C19 N1 H1 101.7 . . ? C20 N1 Mn1 126.9(4) . . ? C20 N1 H1 101.7 . . ? C20 N1 C19 109.3(5) . . ? C2 C1 P1 122.3(6) . . ? C2 C1 C6 118.5(7) . . ? C6 C1 P1 119.1(6) . . ? C1 C2 H2 119.6 . . ? C1 C2 C3 120.9(7) . . ? C3 C2 H2 119.6 . . ? C2 C3 H3 120.0 . . ? C4 C3 C2 120.0(8) . . ? C4 C3 H3 120.0 . . ? C3 C4 H4 120.0 . . ? C3 C4 C5 119.9(7) . . ? C5 C4 H4 120.0 . . ? C4 C5 H5 119.9 . . ? C4 C5 C6 120.2(8) . . ? C6 C5 H5 119.9 . . ? C1 C6 H6 119.8 . . ? C5 C6 C1 120.5(8) . . ? C5 C6 H6 119.8 . . ? C8 C7 P1 119.9(6) . . ? C8 C7 C12 118.9(7) . . ? C12 C7 P1 120.9(5) . . ? C7 C8 H8 119.6 . . ? C9 C8 C7 120.7(8) . . ? C9 C8 H8 119.6 . . ? C8 C9 H9 120.0 . . ? C10 C9 C8 120.0(8) . . ? C10 C9 H9 120.0 . . ? C9 C10 H10 119.9 . . ? C11 C10 C9 120.1(8) . . ? C11 C10 H10 119.9 . . ? C10 C11 H11 119.6 . . ? C10 C11 C12 120.8(8) . . ? C12 C11 H11 119.6 . . ? C7 C12 H12 120.2 . . ? C11 C12 C7 119.5(7) . . ? C11 C12 H12 120.2 . . ? C14 C13 P1 121.6(5) . . ? C14 C13 C18 119.6(6) . . ? C18 C13 P1 118.7(5) . . ? C13 C14 H14 119.7 . . ? C15 C14 C13 120.7(7) . . ? C15 C14 H14 119.7 . . ? C14 C15 H15 120.0 . . ? C14 C15 C16 120.0(7) . . ? C16 C15 H15 120.0 . . ? C15 C16 H16 120.1 . . ? C15 C16 C17 119.8(7) . . ? C17 C16 H16 120.1 . . ? C16 C17 H17 119.7 . . ? C16 C17 C18 120.5(7) . . ? C18 C17 H17 119.7 . . ? C13 C18 C19 122.9(6) . . ? C17 C18 C13 119.3(7) . . ? C17 C18 C19 117.8(6) . . ? N1 C19 H19A 109.3 . . ? N1 C19 H19B 109.3 . . ? C18 C19 N1 111.5(6) . . ? C18 C19 H19A 109.3 . . ? C18 C19 H19B 109.3 . . ? H19A C19 H19B 108.0 . . ? N1 C20 H20 108.5 . . ? N1 C20 C21 113.9(6) . . ? N1 C20 C25 108.7(6) . . ? C21 C20 H20 108.5 . . ? C21 C20 C25 108.6(6) . . ? C25 C20 H20 108.5 . . ? O3 C21 C20 112.5(6) . . ? O3 C21 H21 109.9 . . ? O3 C21 C22 104.4(6) . . ? C20 C21 H21 109.9 . . ? C20 C21 C22 110.2(6) . . ? C22 C21 H21 109.9 . . ? C21 C22 H22A 109.1 . . ? C21 C22 H22B 109.1 . . ? H22A C22 H22B 107.8 . . ? C23 C22 C21 112.5(7) . . ? C23 C22 H22A 109.1 . . ? C23 C22 H22B 109.1 . . ? C22 C23 H23A 109.8 . . ? C22 C23 H23B 109.8 . . ? H23A C23 H23B 108.2 . . ? C24 C23 C22 109.6(7) . . ? C24 C23 H23A 109.8 . . ? C24 C23 H23B 109.8 . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? C23 C24 C25 110.7(7) . . ? H24A C24 H24B 108.1 . . ? C25 C24 H24A 109.5 . . ? C25 C24 H24B 109.5 . . ? C20 C25 H25A 109.1 . . ? C20 C25 H25B 109.1 . . ? C24 C25 C20 112.7(7) . . ? C24 C25 H25A 109.1 . . ? C24 C25 H25B 109.1 . . ? H25A C25 H25B 107.8 . . ? C27 C26 P2 121.2(5) . . ? C31 C26 P2 119.2(5) . . ? C31 C26 C27 119.6(6) . . ? C26 C27 H27 120.0 . . ? C28 C27 C26 120.0(7) . . ? C28 C27 H27 120.0 . . ? C27 C28 H28 119.9 . . ? C29 C28 C27 120.2(7) . . ? C29 C28 H28 119.9 . . ? C28 C29 H29 120.0 . . ? C28 C29 C30 120.0(7) . . ? C30 C29 H29 120.0 . . ? C29 C30 H30 119.8 . . ? C29 C30 C31 120.4(7) . . ? C31 C30 H30 119.8 . . ? C26 C31 C30 119.9(7) . . ? C26 C31 H31 120.1 . . ? C30 C31 H31 120.1 . . ? C33 C32 P2 120.8(5) . . ? C37 C32 P2 120.1(6) . . ? C37 C32 C33 118.7(7) . . ? C32 C33 H33 119.9 . . ? C34 C33 C32 120.2(7) . . ? C34 C33 H33 119.9 . . ? C33 C34 H34 119.7 . . ? C35 C34 C33 120.7(8) . . ? C35 C34 H34 119.7 . . ? C34 C35 H35 120.5 . . ? C34 C35 C36 119.1(8) . . ? C36 C35 H35 120.5 . . ? C35 C36 H36 119.6 . . ? C37 C36 C35 120.7(8) . . ? C37 C36 H36 119.6 . . ? C32 C37 H37 119.7 . . ? C36 C37 C32 120.7(8) . . ? C36 C37 H37 119.7 . . ? O1 C38 Mn1 178.9(9) . . ? O1A C38A Mn1 172(9) . . ? O2 C39 Mn1 178.8(7) . . ? P3 Mn2 Br2 88.61(6) . . ? P3 Mn2 Br2A 84.8(6) . . ? P4 Mn2 Br2 92.98(6) . . ? P4 Mn2 Br2A 95.2(7) . . ? P4 Mn2 P3 178.41(8) . . ? N2 Mn2 Br2 82.16(15) . . ? N2 Mn2 Br2A 169.9(7) . . ? N2 Mn2 P3 88.14(15) . . ? N2 Mn2 P4 92.08(15) . . ? C77 Mn2 Br2 175.3(2) . . ? C77 Mn2 Br2A 94.1(7) . . ? C77 Mn2 P3 91.1(2) . . ? C77 Mn2 P4 87.3(2) . . ? C77 Mn2 N2 93.2(3) . . ? C77 Mn2 C78A 163(6) . . ? C78 Mn2 Br2 94.8(2) . . ? C78 Mn2 P3 89.7(2) . . ? C78 Mn2 P4 90.1(2) . . ? C78 Mn2 N2 176.3(3) . . ? C78 Mn2 C77 89.9(3) . . ? C78A Mn2 Br2A 71(6) . . ? C78A Mn2 P3 96(5) . . ? C78A Mn2 P4 85(5) . . ? C78A Mn2 N2 102(6) . . ? C40 P3 Mn2 120.6(2) . . ? C40 P3 C46 101.3(3) . . ? C46 P3 Mn2 112.8(2) . . ? C52 P3 Mn2 113.0(2) . . ? C52 P3 C40 104.0(3) . . ? C52 P3 C46 103.0(3) . . ? O6 P4 Mn2 113.42(19) . . ? O6 P4 C65 102.7(3) . . ? O6 P4 C71 97.3(3) . . ? C65 P4 Mn2 123.6(2) . . ? C65 P4 C71 99.8(3) . . ? C71 P4 Mn2 116.0(2) . . ? C60 O6 P4 119.1(4) . . ? Mn2 N2 H2A 101.5 . . ? C58 N2 Mn2 111.1(4) . . ? C58 N2 H2A 101.5 . . ? C59 N2 Mn2 127.0(4) . . ? C59 N2 H2A 101.5 . . ? C59 N2 C58 110.0(5) . . ? C41 C40 P3 121.4(5) . . ? C41 C40 C45 118.6(7) . . ? C45 C40 P3 120.0(5) . . ? C40 C41 H41 119.8 . . ? C42 C41 C40 120.4(7) . . ? C42 C41 H41 119.8 . . ? C41 C42 H42 119.8 . . ? C43 C42 C41 120.4(7) . . ? C43 C42 H42 119.8 . . ? C42 C43 H43 120.0 . . ? C42 C43 C44 120.0(7) . . ? C44 C43 H43 120.0 . . ? C43 C44 H44 120.1 . . ? C45 C44 C43 119.8(7) . . ? C45 C44 H44 120.1 . . ? C40 C45 H45 119.6 . . ? C44 C45 C40 120.9(7) . . ? C44 C45 H45 119.6 . . ? C47 C46 P3 117.2(5) . . ? C51 C46 P3 123.7(6) . . ? C51 C46 C47 119.0(7) . . ? C46 C47 H47 119.9 . . ? C48 C47 C46 120.2(7) . . ? C48 C47 H47 119.9 . . ? C47 C48 H48 120.0 . . ? C49 C48 C47 120.0(8) . . ? C49 C48 H48 120.0 . . ? C48 C49 H49 119.7 . . ? C50 C49 C48 120.7(7) . . ? C50 C49 H49 119.7 . . ? C49 C50 H50 120.2 . . ? C49 C50 C51 119.5(8) . . ? C51 C50 H50 120.2 . . ? C46 C51 C50 120.5(7) . . ? C46 C51 H51 119.8 . . ? C50 C51 H51 119.8 . . ? C53 C52 P3 123.1(5) . . ? C53 C52 C57 119.2(6) . . ? C57 C52 P3 117.8(5) . . ? C52 C53 H53 119.7 . . ? C52 C53 C54 120.6(7) . . ? C54 C53 H53 119.7 . . ? C53 C54 H54 119.9 . . ? C55 C54 C53 120.2(8) . . ? C55 C54 H54 119.9 . . ? C54 C55 H55 120.2 . . ? C54 C55 C56 119.7(7) . . ? C56 C55 H55 120.2 . . ? C55 C56 H56 119.3 . . ? C55 C56 C57 121.4(7) . . ? C57 C56 H56 119.3 . . ? C52 C57 C58 120.5(6) . . ? C56 C57 C52 118.8(7) . . ? C56 C57 C58 120.6(6) . . ? N2 C58 H58A 109.7 . . ? N2 C58 H58B 109.7 . . ? C57 C58 N2 109.9(6) . . ? C57 C58 H58A 109.7 . . ? C57 C58 H58B 109.7 . . ? H58A C58 H58B 108.2 . . ? N2 C59 H59 108.2 . . ? N2 C59 C60 112.6(5) . . ? N2 C59 C64 110.3(5) . . ? C60 C59 H59 108.2 . . ? C60 C59 C64 109.2(6) . . ? C64 C59 H59 108.2 . . ? O6 C60 C59 110.5(6) . . ? O6 C60 H60 109.6 . . ? O6 C60 C61 104.4(5) . . ? C59 C60 H60 109.6 . . ? C61 C60 C59 112.8(6) . . ? C61 C60 H60 109.6 . . ? C60 C61 H61A 109.0 . . ? C60 C61 H61B 109.0 . . ? H61A C61 H61B 107.8 . . ? C62 C61 C60 113.1(6) . . ? C62 C61 H61A 109.0 . . ? C62 C61 H61B 109.0 . . ? C61 C62 H62A 109.6 . . ? C61 C62 H62B 109.6 . . ? H62A C62 H62B 108.1 . . ? C63 C62 C61 110.1(6) . . ? C63 C62 H62A 109.6 . . ? C63 C62 H62B 109.6 . . ? C62 C63 H63A 109.6 . . ? C62 C63 H63B 109.6 . . ? C62 C63 C64 110.1(6) . . ? H63A C63 H63B 108.2 . . ? C64 C63 H63A 109.6 . . ? C64 C63 H63B 109.6 . . ? C59 C64 H64A 108.9 . . ? C59 C64 H64B 108.9 . . ? C63 C64 C59 113.3(6) . . ? C63 C64 H64A 108.9 . . ? C63 C64 H64B 108.9 . . ? H64A C64 H64B 107.7 . . ? C66 C65 P4 117.6(5) . . ? C70 C65 P4 123.7(5) . . ? C70 C65 C66 118.5(6) . . ? C65 C66 H66 119.7 . . ? C67 C66 C65 120.6(7) . . ? C67 C66 H66 119.7 . . ? C66 C67 H67 119.9 . . ? C68 C67 C66 120.1(7) . . ? C68 C67 H67 119.9 . . ? C67 C68 H68 120.0 . . ? C67 C68 C69 120.0(7) . . ? C69 C68 H68 120.0 . . ? C68 C69 H69 119.9 . . ? C68 C69 C70 120.2(7) . . ? C70 C69 H69 119.9 . . ? C65 C70 C69 120.6(7) . . ? C65 C70 H70 119.7 . . ? C69 C70 H70 119.7 . . ? C72 C71 P4 122.9(6) . . ? C72 C71 C76 118.3(7) . . ? C76 C71 P4 118.7(5) . . ? C71 C72 H72 119.5 . . ? C71 C72 C73 120.9(8) . . ? C73 C72 H72 119.5 . . ? C72 C73 H73 119.7 . . ? C74 C73 C72 120.7(8) . . ? C74 C73 H73 119.7 . . ? C73 C74 H74 120.3 . . ? C73 C74 C75 119.4(8) . . ? C75 C74 H74 120.3 . . ? C74 C75 H75 120.0 . . ? C74 C75 C76 120.0(8) . . ? C76 C75 H75 120.0 . . ? C71 C76 C75 120.6(7) . . ? C71 C76 H76 119.7 . . ? C75 C76 H76 119.7 . . ? O4 C77 Mn2 178.2(7) . . ? O5 C78 Mn2 178.8(6) . . ? O5A C78A Mn2 172(10) . . ? 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 Br1 Mn1 2.5368(12) . ? Br1A Mn1 2.65(2) . ? Mn1 P1 2.3083(19) . ? Mn1 P2 2.2274(19) . ? Mn1 N1 2.163(6) . ? Mn1 C38 1.758(8) . ? Mn1 C38A 1.760(16) . ? Mn1 C39 1.779(7) . ? P1 C1 1.848(7) . ? P1 C7 1.824(7) . ? P1 C13 1.840(7) . ? P2 O3 1.620(5) . ? P2 C26 1.838(7) . ? P2 C32 1.810(7) . ? O1 C38 1.170(11) . ? O1A C38A 1.172(18) . ? O2 C39 1.164(9) . ? O3 C21 1.441(9) . ? N1 H1 1.0000 . ? N1 C19 1.506(9) . ? N1 C20 1.504(9) . ? C1 C2 1.388(10) . ? C1 C6 1.397(11) . ? C2 H2 0.9500 . ? C2 C3 1.392(10) . ? C3 H3 0.9500 . ? C3 C4 1.378(13) . ? C4 H4 0.9500 . ? C4 C5 1.382(13) . ? C5 H5 0.9500 . ? C5 C6 1.388(11) . ? C6 H6 0.9500 . ? C7 C8 1.400(10) . ? C7 C12 1.402(10) . ? C8 H8 0.9500 . ? C8 C9 1.388(12) . ? C9 H9 0.9500 . ? C9 C10 1.382(14) . ? C10 H10 0.9500 . ? C10 C11 1.379(14) . ? C11 H11 0.9500 . ? C11 C12 1.396(11) . ? C12 H12 0.9500 . ? C13 C14 1.397(10) . ? C13 C18 1.401(10) . ? C14 H14 0.9500 . ? C14 C15 1.385(10) . ? C15 H15 0.9500 . ? C15 C16 1.388(11) . ? C16 H16 0.9500 . ? C16 C17 1.394(12) . ? C17 H17 0.9500 . ? C17 C18 1.400(10) . ? C18 C19 1.505(10) . ? C19 H19A 0.9900 . ? C19 H19B 0.9900 . ? C20 H20 1.0000 . ? C20 C21 1.530(9) . ? C20 C25 1.538(10) . ? C21 H21 1.0000 . ? C21 C22 1.533(11) . ? C22 H22A 0.9900 . ? C22 H22B 0.9900 . ? C22 C23 1.527(12) . ? C23 H23A 0.9900 . ? C23 H23B 0.9900 . ? C23 C24 1.522(13) . ? C24 H24A 0.9900 . ? C24 H24B 0.9900 . ? C24 C25 1.525(12) . ? C25 H25A 0.9900 . ? C25 H25B 0.9900 . ? C26 C27 1.398(10) . ? C26 C31 1.380(10) . ? C27 H27 0.9500 . ? C27 C28 1.391(10) . ? C28 H28 0.9500 . ? C28 C29 1.375(11) . ? C29 H29 0.9500 . ? C29 C30 1.383(11) . ? C30 H30 0.9500 . ? C30 C31 1.396(11) . ? C31 H31 0.9500 . ? C32 C33 1.395(11) . ? C32 C37 1.394(10) . ? C33 H33 0.9500 . ? C33 C34 1.391(11) . ? C34 H34 0.9500 . ? C34 C35 1.383(13) . ? C35 H35 0.9500 . ? C35 C36 1.389(13) . ? C36 H36 0.9500 . ? C36 C37 1.377(11) . ? C37 H37 0.9500 . ? Br2 Mn2 2.5297(12) . ? Br2A Mn2 2.42(4) . ? Mn2 P3 2.3420(19) . ? Mn2 P4 2.2356(19) . ? Mn2 N2 2.191(6) . ? Mn2 C77 1.787(7) . ? Mn2 C78 1.758(9) . ? Mn2 C78A 1.787(16) . ? P3 C40 1.843(7) . ? P3 C46 1.851(7) . ? P3 C52 1.830(7) . ? P4 O6 1.619(5) . ? P4 C65 1.830(7) . ? P4 C71 1.835(7) . ? O4 C77 1.148(9) . ? O5 C78 1.195(12) . ? O5A C78A 1.148(17) . ? O6 C60 1.443(8) . ? N2 H2A 1.0000 . ? N2 C58 1.511(8) . ? N2 C59 1.504(8) . ? C40 C41 1.395(10) . ? C40 C45 1.399(10) . ? C41 H41 0.9500 . ? C41 C42 1.387(10) . ? C42 H42 0.9500 . ? C42 C43 1.380(11) . ? C43 H43 0.9500 . ? C43 C44 1.390(12) . ? C44 H44 0.9500 . ? C44 C45 1.383(11) . ? C45 H45 0.9500 . ? C46 C47 1.405(10) . ? C46 C51 1.386(10) . ? C47 H47 0.9500 . ? C47 C48 1.390(11) . ? C48 H48 0.9500 . ? C48 C49 1.380(12) . ? C49 H49 0.9500 . ? C49 C50 1.379(13) . ? C50 H50 0.9500 . ? C50 C51 1.404(11) . ? C51 H51 0.9500 . ? C52 C53 1.390(10) . ? C52 C57 1.408(9) . ? C53 H53 0.9500 . ? C53 C54 1.396(11) . ? C54 H54 0.9500 . ? C54 C55 1.369(12) . ? C55 H55 0.9500 . ? C55 C56 1.384(12) . ? C56 H56 0.9500 . ? C56 C57 1.391(10) . ? C57 C58 1.501(10) . ? C58 H58A 0.9900 . ? C58 H58B 0.9900 . ? C59 H59 1.0000 . ? C59 C60 1.533(9) . ? C59 C64 1.535(10) . ? C60 H60 1.0000 . ? C60 C61 1.527(10) . ? C61 H61A 0.9900 . ? C61 H61B 0.9900 . ? C61 C62 1.527(11) . ? C62 H62A 0.9900 . ? C62 H62B 0.9900 . ? C62 C63 1.516(11) . ? C63 H63A 0.9900 . ? C63 H63B 0.9900 . ? C63 C64 1.533(10) . ? C64 H64A 0.9900 . ? C64 H64B 0.9900 . ? C65 C66 1.409(10) . ? C65 C70 1.391(10) . ? C66 H66 0.9500 . ? C66 C67 1.388(10) . ? C67 H67 0.9500 . ? C67 C68 1.380(11) . ? C68 H68 0.9500 . ? C68 C69 1.387(11) . ? C69 H69 0.9500 . ? C69 C70 1.393(10) . ? C70 H70 0.9500 . ? C71 C72 1.365(11) . ? C71 C76 1.387(11) . ? C72 H72 0.9500 . ? C72 C73 1.392(13) . ? C73 H73 0.9500 . ? C73 C74 1.356(14) . ? C74 H74 0.9500 . ? C74 C75 1.376(12) . ? C75 H75 0.9500 . ? C75 C76 1.391(11) . ? C76 H76 0.9500 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Mn1 P1 C1 C2 -150.8(5) . . . . ? Mn1 P1 C1 C6 33.2(7) . . . . ? Mn1 P1 C7 C8 -92.2(6) . . . . ? Mn1 P1 C7 C12 81.4(6) . . . . ? Mn1 P1 C13 C14 -151.8(5) . . . . ? Mn1 P1 C13 C18 32.7(6) . . . . ? Mn1 P2 O3 C21 42.1(5) . . . . ? Mn1 P2 C26 C27 18.7(7) . . . . ? Mn1 P2 C26 C31 -164.2(5) . . . . ? Mn1 P2 C32 C33 -88.9(6) . . . . ? Mn1 P2 C32 C37 84.2(6) . . . . ? Mn1 N1 C19 C18 86.0(6) . . . . ? Mn1 N1 C20 C21 -25.6(8) . . . . ? Mn1 N1 C20 C25 -146.8(5) . . . . ? P1 C1 C2 C3 -176.0(6) . . . . ? P1 C1 C6 C5 177.6(7) . . . . ? P1 C7 C8 C9 174.0(6) . . . . ? P1 C7 C12 C11 -174.6(6) . . . . ? P1 C13 C14 C15 -172.7(5) . . . . ? P1 C13 C18 C17 173.6(5) . . . . ? P1 C13 C18 C19 -6.7(9) . . . . ? P2 O3 C21 C20 -79.0(7) . . . . ? P2 O3 C21 C22 161.5(5) . . . . ? P2 C26 C27 C28 176.1(6) . . . . ? P2 C26 C31 C30 -176.9(7) . . . . ? P2 C32 C33 C34 172.6(6) . . . . ? P2 C32 C37 C36 -172.9(7) . . . . ? O3 P2 C26 C27 148.6(6) . . . . ? O3 P2 C26 C31 -34.3(7) . . . . ? O3 P2 C32 C33 150.5(6) . . . . ? O3 P2 C32 C37 -36.4(7) . . . . ? O3 C21 C22 C23 179.3(7) . . . . ? N1 C20 C21 O3 66.2(8) . . . . ? N1 C20 C21 C22 -177.7(6) . . . . ? N1 C20 C25 C24 -178.2(7) . . . . ? C1 P1 C7 C8 35.2(7) . . . . ? C1 P1 C7 C12 -151.2(6) . . . . ? C1 P1 C13 C14 80.3(6) . . . . ? C1 P1 C13 C18 -95.2(6) . . . . ? C1 C2 C3 C4 -1.1(12) . . . . ? C2 C1 C6 C5 1.4(12) . . . . ? C2 C3 C4 C5 0.6(13) . . . . ? C3 C4 C5 C6 0.9(14) . . . . ? C4 C5 C6 C1 -1.9(14) . . . . ? C6 C1 C2 C3 0.1(11) . . . . ? C7 P1 C1 C2 83.7(6) . . . . ? C7 P1 C1 C6 -92.4(7) . . . . ? C7 P1 C13 C14 -25.2(6) . . . . ? C7 P1 C13 C18 159.3(5) . . . . ? C7 C8 C9 C10 0.7(13) . . . . ? C8 C7 C12 C11 -1.0(10) . . . . ? C8 C9 C10 C11 -1.0(13) . . . . ? C9 C10 C11 C12 0.2(13) . . . . ? C10 C11 C12 C7 0.7(11) . . . . ? C12 C7 C8 C9 0.2(11) . . . . ? C13 P1 C1 C2 -24.4(7) . . . . ? C13 P1 C1 C6 159.5(6) . . . . ? C13 P1 C7 C8 140.7(6) . . . . ? C13 P1 C7 C12 -45.7(6) . . . . ? C13 C14 C15 C16 -0.9(11) . . . . ? C13 C18 C19 N1 -56.8(9) . . . . ? C14 C13 C18 C17 -2.0(10) . . . . ? C14 C13 C18 C19 177.7(6) . . . . ? C14 C15 C16 C17 -1.7(11) . . . . ? C15 C16 C17 C18 2.4(11) . . . . ? C16 C17 C18 C13 -0.6(10) . . . . ? C16 C17 C18 C19 179.7(7) . . . . ? C17 C18 C19 N1 122.9(7) . . . . ? C18 C13 C14 C15 2.8(10) . . . . ? C19 N1 C20 C21 -164.1(6) . . . . ? C19 N1 C20 C25 74.6(7) . . . . ? C20 N1 C19 C18 -128.7(6) . . . . ? C20 C21 C22 C23 58.2(9) . . . . ? C21 C20 C25 C24 57.4(9) . . . . ? C21 C22 C23 C24 -56.6(11) . . . . ? C22 C23 C24 C25 55.0(11) . . . . ? C23 C24 C25 C20 -57.3(10) . . . . ? C25 C20 C21 O3 -172.5(6) . . . . ? C25 C20 C21 C22 -56.4(8) . . . . ? C26 P2 O3 C21 -91.9(5) . . . . ? C26 P2 C32 C33 44.2(7) . . . . ? C26 P2 C32 C37 -142.7(6) . . . . ? C26 C27 C28 C29 1.6(12) . . . . ? C27 C26 C31 C30 0.3(12) . . . . ? C27 C28 C29 C30 -1.6(13) . . . . ? C28 C29 C30 C31 0.9(14) . . . . ? C29 C30 C31 C26 -0.2(14) . . . . ? C31 C26 C27 C28 -1.0(11) . . . . ? C32 P2 O3 C21 164.0(5) . . . . ? C32 P2 C26 C27 -110.9(6) . . . . ? C32 P2 C26 C31 66.2(7) . . . . ? C32 C33 C34 C35 0.4(12) . . . . ? C33 C32 C37 C36 0.4(12) . . . . ? C33 C34 C35 C36 0.2(12) . . . . ? C34 C35 C36 C37 -0.5(13) . . . . ? C35 C36 C37 C32 0.2(13) . . . . ? C37 C32 C33 C34 -0.6(11) . . . . ? Mn2 P3 C40 C41 17.7(7) . . . . ? Mn2 P3 C40 C45 -161.9(5) . . . . ? Mn2 P3 C46 C47 63.4(6) . . . . ? Mn2 P3 C46 C51 -113.3(6) . . . . ? Mn2 P3 C52 C53 -138.0(6) . . . . ? Mn2 P3 C52 C57 42.3(6) . . . . ? Mn2 P4 O6 C60 45.3(5) . . . . ? Mn2 P4 C65 C66 -169.3(5) . . . . ? Mn2 P4 C65 C70 16.1(7) . . . . ? Mn2 P4 C71 C72 114.5(8) . . . . ? Mn2 P4 C71 C76 -66.5(7) . . . . ? Mn2 N2 C58 C57 87.2(6) . . . . ? Mn2 N2 C59 C60 -31.0(7) . . . . ? Mn2 N2 C59 C64 -153.3(5) . . . . ? P3 C40 C41 C42 179.3(6) . . . . ? P3 C40 C45 C44 -179.2(6) . . . . ? P3 C46 C47 C48 -178.1(6) . . . . ? P3 C46 C51 C50 177.6(6) . . . . ? P3 C52 C53 C54 -178.7(7) . . . . ? P3 C52 C57 C56 177.0(6) . . . . ? P3 C52 C57 C58 -5.5(9) . . . . ? P4 O6 C60 C59 -82.0(6) . . . . ? P4 O6 C60 C61 156.3(5) . . . . ? P4 C65 C66 C67 -175.2(6) . . . . ? P4 C65 C70 C69 175.5(6) . . . . ? P4 C71 C72 C73 -179.3(10) . . . . ? P4 C71 C76 C75 -179.7(7) . . . . ? O6 P4 C65 C66 -39.6(6) . . . . ? O6 P4 C65 C70 145.8(6) . . . . ? O6 P4 C71 C72 -6.0(8) . . . . ? O6 P4 C71 C76 173.0(6) . . . . ? O6 C60 C61 C62 173.1(6) . . . . ? N2 C59 C60 O6 69.4(7) . . . . ? N2 C59 C60 C61 -174.0(6) . . . . ? N2 C59 C64 C63 178.9(6) . . . . ? C40 P3 C46 C47 -66.9(6) . . . . ? C40 P3 C46 C51 116.4(6) . . . . ? C40 P3 C52 C53 -5.4(7) . . . . ? C40 P3 C52 C57 174.8(5) . . . . ? C40 C41 C42 C43 1.0(12) . . . . ? C41 C40 C45 C44 1.2(11) . . . . ? C41 C42 C43 C44 -1.0(12) . . . . ? C42 C43 C44 C45 1.1(12) . . . . ? C43 C44 C45 C40 -1.2(12) . . . . ? C45 C40 C41 C42 -1.1(11) . . . . ? C46 P3 C40 C41 143.0(6) . . . . ? C46 P3 C40 C45 -36.6(6) . . . . ? C46 P3 C52 C53 99.9(7) . . . . ? C46 P3 C52 C57 -79.8(6) . . . . ? C46 C47 C48 C49 1.1(11) . . . . ? C47 C46 C51 C50 0.9(11) . . . . ? C47 C48 C49 C50 -0.6(12) . . . . ? C48 C49 C50 C51 0.3(12) . . . . ? C49 C50 C51 C46 -0.5(12) . . . . ? C51 C46 C47 C48 -1.2(11) . . . . ? C52 P3 C40 C41 -110.4(6) . . . . ? C52 P3 C40 C45 70.0(6) . . . . ? C52 P3 C46 C47 -174.4(5) . . . . ? C52 P3 C46 C51 8.9(7) . . . . ? C52 C53 C54 C55 1.9(15) . . . . ? C52 C57 C58 N2 -65.3(8) . . . . ? C53 C52 C57 C56 -2.8(11) . . . . ? C53 C52 C57 C58 174.8(7) . . . . ? C53 C54 C55 C56 -3.1(15) . . . . ? C54 C55 C56 C57 1.4(14) . . . . ? C55 C56 C57 C52 1.6(12) . . . . ? C55 C56 C57 C58 -176.0(8) . . . . ? C56 C57 C58 N2 112.3(7) . . . . ? C57 C52 C53 C54 1.1(12) . . . . ? C58 N2 C59 C60 -170.0(6) . . . . ? C58 N2 C59 C64 67.7(7) . . . . ? C59 N2 C58 C57 -127.0(6) . . . . ? C59 C60 C61 C62 53.0(9) . . . . ? C60 C59 C64 C63 54.5(8) . . . . ? C60 C61 C62 C63 -54.9(9) . . . . ? C61 C62 C63 C64 56.4(9) . . . . ? C62 C63 C64 C59 -58.3(8) . . . . ? C64 C59 C60 O6 -167.6(5) . . . . ? C64 C59 C60 C61 -51.1(8) . . . . ? C65 P4 O6 C60 -90.5(5) . . . . ? C65 P4 C71 C72 -110.3(8) . . . . ? C65 P4 C71 C76 68.7(7) . . . . ? C65 C66 C67 C68 0.9(12) . . . . ? C66 C65 C70 C69 1.0(11) . . . . ? C66 C67 C68 C69 -2.1(12) . . . . ? C67 C68 C69 C70 2.8(11) . . . . ? C68 C69 C70 C65 -2.2(11) . . . . ? C70 C65 C66 C67 -0.3(11) . . . . ? C71 P4 O6 C60 167.8(5) . . . . ? C71 P4 C65 C66 60.2(6) . . . . ? C71 P4 C65 C70 -114.4(6) . . . . ? C71 C72 C73 C74 -2(2) . . . . ? C72 C71 C76 C75 -0.6(14) . . . . ? C72 C73 C74 C75 0.3(19) . . . . ? C73 C74 C75 C76 0.7(15) . . . . ? C74 C75 C76 C71 -0.6(14) . . . . ? C76 C71 C72 C73 1.7(17) . . . . ?