#------------------------------------------------------------------------------ #$Date: 2024-06-01 01:14:32 +0300 (Sat, 01 Jun 2024) $ #$Revision: 292134 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/17/1571749.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_1571749 loop_ _publ_author_name 'Zhu, Mengjie' 'Wang, Puzhao' 'Wu, Zhengqiu' 'Zhong, Yangfa' 'Su, Laiman' 'Xin, Yuquan' 'Spokoyny, Alex' 'Zou, Chao' 'mu, xin' _publ_section_title ; A Pd-Catalyzed Route to Carborane-Fused Boron Heterocycles ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC02214A _journal_year 2024 _chemical_formula_moiety 'C21 H26 B10 N2 O3' _chemical_formula_sum 'C21 H26 B10 N2 O3' _chemical_formula_weight 462.54 _chemical_name_systematic 123 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2023-09-25 _audit_creation_method ; Olex2 1.5 (compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817) ; _audit_update_record ; 2024-01-04 deposited with the CCDC. 2024-05-28 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 92.063(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.4497(3) _cell_length_b 13.3728(4) _cell_length_c 17.3909(5) _cell_measurement_reflns_used 7011 _cell_measurement_temperature 302.00 _cell_measurement_theta_max 68.04 _cell_measurement_theta_min 4.17 _cell_volume 2428.66(12) _computing_cell_refinement 'SAINT V8.40B (?, 2016)' _computing_data_reduction 'SAINT V8.40B (?, 2016)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 302.00 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0386 _diffrn_reflns_av_unetI/netI 0.0314 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 18858 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 68.262 _diffrn_reflns_theta_min 4.171 _diffrn_source_current 1.1 _diffrn_source_power 0.05500000000000001 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.589 _exptl_absorpt_correction_T_max 0.7531 _exptl_absorpt_correction_T_min 0.6719 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0827 before and 0.0538 after correction. The Ratio of minimum to maximum transmission is 0.8922. The \l/2 correction factor is Not present. ; _exptl_crystal_colour 'clear light colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.265 _exptl_crystal_description block _exptl_crystal_F_000 960 _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.11 _refine_diff_density_max 0.194 _refine_diff_density_min -0.145 _refine_diff_density_rms 0.033 _refine_ls_extinction_coef 0.0009(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_goodness_of_fit_ref 1.074 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 328 _refine_ls_number_reflns 4430 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.074 _refine_ls_R_factor_all 0.0528 _refine_ls_R_factor_gt 0.0422 _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^)+(0.0637P)^2^+0.3867P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1165 _refine_ls_wR_factor_ref 0.1245 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3567 _reflns_number_total 4430 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL cu_20230925_zm_hdlg_wpz_2_53_0_a.res in P2(1)/n cu_20230925_zm_hdlg_wpz_2_53_0.res created by SHELXL-2018/3 at 18:29:55 on 25-Sep-2023 REM Old TITL cu_20230925_ZM_HDLG_WPZ_2_53_0 in P2(1)/n REM SHELXT solution in P2(1)/n: R1 0.169, Rweak 0.007, Alpha 0.019 REM 0.436 for 212 systematic absences, Orientation as input REM Formula found by SHELXT: C21 B10 N4 O CELL 1.54178 10.4497 13.3728 17.3909 90 92.063 90 ZERR 4 0.0003 0.0004 0.0005 0 0.002 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H B N O UNIT 84 104 40 8 12 L.S. 4 0 0 PLAN 5 SIZE 0.11 0.12 0.13 TEMP 28.85 CONF BOND list 4 fmap 2 53 MORE -1 ACTA BOND $H REM REM REM WGHT 0.063700 0.386700 EXTI 0.000917 FVAR 0.44738 C1 1 1.004143 0.312885 0.427210 11.00000 0.04445 0.05241 = 0.04942 0.00435 0.00175 0.00314 O1 5 0.983675 0.224970 0.434842 11.00000 0.06430 0.05322 = 0.08749 0.00848 -0.01219 0.00619 B1 3 0.344723 0.383702 0.097125 11.00000 0.05454 0.07194 = 0.05985 -0.01975 -0.00456 -0.00501 AFIX 153 H1 2 0.327632 0.343828 0.042392 11.00000 -1.20000 AFIX 0 N1 4 0.609464 0.371032 0.286086 11.00000 0.04034 0.03620 = 0.06512 -0.00376 -0.00340 -0.00039 C2 1 0.397378 0.502588 0.106610 11.00000 0.05031 0.06455 = 0.04678 -0.00608 0.00018 -0.00043 AFIX 153 H2 2 0.417385 0.543930 0.053697 11.00000 -1.20000 AFIX 0 B2 3 0.404243 0.322252 0.180775 11.00000 0.04777 0.04913 = 0.07125 -0.01615 -0.00464 -0.00123 AFIX 153 H2A 2 0.424739 0.241569 0.180944 11.00000 -1.20000 AFIX 0 O2 5 1.111565 0.356472 0.454491 11.00000 0.05474 0.06706 = 0.09393 0.02285 -0.02491 -0.00410 N2 4 0.408884 0.564100 0.339327 11.00000 0.04987 0.04053 = 0.04346 -0.00022 0.00835 -0.00284 C3 1 0.623461 0.272758 0.309717 11.00000 0.04936 0.03815 = 0.07546 -0.00104 0.00071 -0.00511 AFIX 43 H3 2 0.563372 0.222865 0.299151 11.00000 -1.20000 AFIX 0 O3 5 0.600208 0.921807 0.450180 11.00000 0.10502 0.05179 = 0.06494 -0.01231 -0.00742 -0.01787 B3 3 0.499827 0.408670 0.236827 11.00000 0.03567 0.04014 = 0.05566 -0.00739 0.00055 -0.00165 B4 3 0.500681 0.409368 0.133734 11.00000 0.04627 0.05903 = 0.05804 -0.01745 0.00433 -0.00017 AFIX 153 H4 2 0.585575 0.387039 0.102295 11.00000 -1.20000 AFIX 0 C4 1 0.735018 0.257849 0.350049 11.00000 0.04869 0.03949 = 0.06439 0.00459 0.00405 0.00222 AFIX 43 H4A 2 0.764162 0.197764 0.371142 11.00000 -1.20000 AFIX 0 C5 1 0.799127 0.351536 0.354015 11.00000 0.04019 0.04114 = 0.04479 -0.00128 0.00658 0.00270 B5 3 0.495379 0.523371 0.185668 11.00000 0.03905 0.04834 = 0.04499 -0.00583 0.00303 -0.00116 AFIX 153 H5 2 0.577832 0.574557 0.187816 11.00000 -1.20000 AFIX 0 C6 1 0.718753 0.421254 0.314308 11.00000 0.03670 0.03889 = 0.05040 -0.00339 0.00236 0.00105 B6 3 0.242015 0.481246 0.125586 11.00000 0.04496 0.07239 = 0.05957 -0.00386 -0.00820 0.00047 AFIX 153 H6 2 0.158846 0.503946 0.089117 11.00000 -1.20000 AFIX 0 C7 1 0.752435 0.521096 0.308841 11.00000 0.04801 0.03914 = 0.07059 0.00039 -0.00885 0.00171 AFIX 43 H7 2 0.698835 0.566532 0.283123 11.00000 -1.20000 AFIX 0 B7 3 0.237036 0.481415 0.226092 11.00000 0.03622 0.06019 = 0.06007 -0.00337 0.00140 0.00049 AFIX 153 H7A 2 0.149657 0.503186 0.255306 11.00000 -1.20000 AFIX 0 B8 3 0.338342 0.383457 0.261493 11.00000 0.04036 0.04740 = 0.05866 -0.00348 -0.00012 -0.00728 AFIX 153 H8 2 0.316494 0.342092 0.314094 11.00000 -1.20000 AFIX 0 C8 1 0.867242 0.551363 0.342434 11.00000 0.05443 0.04114 = 0.08116 0.00230 -0.01223 -0.00763 AFIX 43 H8A 2 0.890852 0.618248 0.339272 11.00000 -1.20000 AFIX 0 C9 1 0.948861 0.484581 0.380976 11.00000 0.04368 0.05329 = 0.06625 0.00348 -0.00801 -0.00507 AFIX 43 H9 2 1.025996 0.507462 0.402763 11.00000 -1.20000 AFIX 0 B9 3 0.394220 0.509659 0.265520 11.00000 0.03647 0.04089 = 0.04621 -0.00182 0.00359 -0.00117 B10 3 0.334361 0.569103 0.179970 11.00000 0.04417 0.05192 = 0.04963 -0.00117 0.00128 0.00533 AFIX 153 H10 2 0.312639 0.649580 0.178455 11.00000 -1.20000 AFIX 0 C10 1 0.917058 0.384773 0.387375 11.00000 0.04076 0.04819 = 0.04549 0.00145 0.00292 0.00198 C11 1 1.204545 0.292940 0.493407 11.00000 0.06310 0.08117 = 0.08985 0.02202 -0.02642 0.00779 AFIX 137 H11A 2 1.237170 0.245562 0.457560 11.00000 -1.50000 H11B 2 1.164721 0.257901 0.534371 11.00000 -1.50000 H11C 2 1.273686 0.333033 0.514215 11.00000 -1.50000 AFIX 0 C12 1 0.356780 0.532423 0.407479 11.00000 0.07386 0.04999 = 0.05205 0.00406 0.01713 -0.01086 AFIX 43 H12 2 0.313937 0.472088 0.413292 11.00000 -1.20000 AFIX 0 C13 1 0.376062 0.600056 0.464154 11.00000 0.08069 0.05862 = 0.04361 0.00220 0.01585 -0.00470 AFIX 43 H13 2 0.349550 0.594466 0.514451 11.00000 -1.20000 AFIX 0 C14 1 0.444527 0.681669 0.432823 11.00000 0.04677 0.04617 = 0.03970 0.00011 0.00232 0.00713 C15 1 0.463009 0.657682 0.354520 11.00000 0.03773 0.03842 = 0.04152 -0.00100 0.00139 0.00475 C16 1 0.525501 0.723836 0.307155 11.00000 0.04678 0.04341 = 0.04352 -0.00264 0.00608 0.00135 AFIX 43 H16 2 0.535836 0.708862 0.255526 11.00000 -1.20000 AFIX 0 C17 1 0.572107 0.812408 0.338142 11.00000 0.05072 0.04296 = 0.05322 -0.00005 0.00414 -0.00235 AFIX 43 H17 2 0.615394 0.856906 0.307246 11.00000 -1.20000 AFIX 0 C18 1 0.490980 0.771755 0.462242 11.00000 0.05769 0.05099 = 0.04066 -0.00518 -0.00261 0.00896 AFIX 43 H18 2 0.478822 0.788509 0.513364 11.00000 -1.20000 AFIX 0 C19 1 0.554827 0.835783 0.415473 11.00000 0.05006 0.04322 = 0.05260 -0.00597 -0.00768 0.00244 C20 1 0.637568 1.001721 0.403435 11.00000 0.07113 0.05024 = 0.08984 -0.01050 0.00415 -0.01110 AFIX 137 H20A 2 0.569245 1.017620 0.367107 11.00000 -1.50000 H20B 2 0.712302 0.982988 0.376315 11.00000 -1.50000 H20C 2 0.656656 1.059100 0.434978 11.00000 -1.50000 AFIX 0 C21 1 0.255324 0.373903 0.176016 11.00000 0.04179 0.06277 = 0.06520 -0.01055 -0.00470 -0.00732 AFIX 153 H21 2 0.173583 0.322044 0.173084 11.00000 -1.20000 AFIX 0 HKLF 4 REM cu_20230925_zm_hdlg_wpz_2_53_0_a.res in P2(1)/n REM wR2 = 0.1245, GooF = S = 1.074, Restrained GooF = 1.074 for all data REM R1 = 0.0422 for 3567 Fo > 4sig(Fo) and 0.0528 for all 4430 data REM 328 parameters refined using 0 restraints END WGHT 0.0637 0.3867 REM Highest difference peak 0.194, deepest hole -0.145, 1-sigma level 0.033 Q1 1 0.5564 0.5766 0.1599 11.00000 0.05 0.19 Q2 1 0.8662 0.3596 0.3683 11.00000 0.05 0.19 Q3 1 0.7741 0.3836 0.3301 11.00000 0.05 0.17 Q4 1 0.7912 0.3021 0.3389 11.00000 0.05 0.17 Q5 1 0.4192 0.3765 0.2366 11.00000 0.05 0.17 REM The information below was added by Olex2. REM REM R1 = 0.0422 for 3567 Fo > 4sig(Fo) and 0.0528 for all 19599 data REM 328 parameters refined using n/a restraints REM Highest difference peak 0.19, deepest hole -0.14 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0528 REM R1_gt = 0.0422 REM wR_ref = 0.1245 REM GOOF = 1.074 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 19599 REM Reflections_gt = 3567 REM Parameters = 328 REM Hole = -0.14 REM Peak = 0.19 REM Flack = n/a ; _cod_data_source_file d4sc02214a2.cif _cod_data_source_block cu_20230925_zm_hdlg_wpz_2_53_0 _cod_database_code 1571749 _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 0.938 _shelx_estimated_absorpt_t_min 0.927 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All B(H) groups, All C(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Aromatic/amide H refined with riding coordinates: C3(H3), C4(H4A), C7(H7), C8(H8A), C9(H9), C12(H12), C13(H13), C16(H16), C17(H17), C18(H18) 2.b Idealised Me refined as rotating group: C11(H11A,H11B,H11C), C20(H20A,H20B,H20C) 2.c Boron cage BH refined with riding coordinates: B1(H1), C2(H2), B2(H2A), B4(H4), B5(H5), B6(H6), B7(H7A), B8(H8), B10(H10), C21(H21) ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' 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 C1 C 1.00414(15) 0.31289(14) 0.42721(9) 0.0488(4) Uani 1 1 d . . . . . O1 O 0.98368(12) 0.22497(10) 0.43484(8) 0.0687(4) Uani 1 1 d . . . . . B1 B 0.3447(2) 0.38370(18) 0.09712(13) 0.0623(6) Uani 1 1 d . . . . . H1 H 0.327632 0.343828 0.042392 0.075 Uiso 1 1 calc R U . . . N1 N 0.60946(12) 0.37103(10) 0.28609(8) 0.0473(3) Uani 1 1 d . . . . . C2 C 0.39738(16) 0.50259(14) 0.10661(9) 0.0539(4) Uani 1 1 d . . . . . H2 H 0.417385 0.543930 0.053697 0.065 Uiso 1 1 calc R U . . . B2 B 0.40424(18) 0.32225(17) 0.18077(12) 0.0562(5) Uani 1 1 d . . . . . H2A H 0.424739 0.241569 0.180944 0.067 Uiso 1 1 calc R U . . . O2 O 1.11156(12) 0.35647(10) 0.45449(8) 0.0726(4) Uani 1 1 d . . . . . N2 N 0.40888(12) 0.56410(10) 0.33933(7) 0.0445(3) Uani 1 1 d . . . . . C3 C 0.62346(16) 0.27276(13) 0.30972(11) 0.0544(4) Uani 1 1 d . . . . . H3 H 0.563372 0.222865 0.299151 0.065 Uiso 1 1 calc R U . . . O3 O 0.60021(15) 0.92181(10) 0.45018(7) 0.0742(4) Uani 1 1 d . . . . . B3 B 0.49983(15) 0.40867(14) 0.23683(11) 0.0438(4) Uani 1 1 d . . . . . B4 B 0.50068(18) 0.40937(16) 0.13373(11) 0.0544(5) Uani 1 1 d . . . . . H4 H 0.585575 0.387039 0.102295 0.065 Uiso 1 1 calc R U . . . C4 C 0.73502(15) 0.25785(13) 0.35005(10) 0.0508(4) Uani 1 1 d . . . . . H4A H 0.764162 0.197764 0.371142 0.061 Uiso 1 1 calc R U . . . C5 C 0.79913(13) 0.35154(12) 0.35401(8) 0.0419(3) Uani 1 1 d . . . . . B5 B 0.49538(16) 0.52337(14) 0.18567(10) 0.0441(4) Uani 1 1 d . . . . . H5 H 0.577832 0.574557 0.187816 0.053 Uiso 1 1 calc R U . . . C6 C 0.71875(13) 0.42125(12) 0.31431(8) 0.0420(3) Uani 1 1 d . . . . . B6 B 0.24201(19) 0.48125(18) 0.12559(12) 0.0592(5) Uani 1 1 d . . . . . H6 H 0.158846 0.503946 0.089117 0.071 Uiso 1 1 calc R U . . . C7 C 0.75244(15) 0.52110(13) 0.30884(10) 0.0528(4) Uani 1 1 d . . . . . H7 H 0.698835 0.566532 0.283123 0.063 Uiso 1 1 calc R U . . . B7 B 0.23704(17) 0.48141(16) 0.22609(11) 0.0522(5) Uani 1 1 d . . . . . H7A H 0.149657 0.503186 0.255306 0.063 Uiso 1 1 calc R U . . . B8 B 0.33834(17) 0.38346(15) 0.26149(11) 0.0489(4) Uani 1 1 d . . . . . H8 H 0.316494 0.342092 0.314094 0.059 Uiso 1 1 calc R U . . . C8 C 0.86724(16) 0.55136(14) 0.34243(11) 0.0593(5) Uani 1 1 d . . . . . H8A H 0.890852 0.618248 0.339272 0.071 Uiso 1 1 calc R U . . . C9 C 0.94886(15) 0.48458(14) 0.38098(10) 0.0546(4) Uani 1 1 d . . . . . H9 H 1.025996 0.507462 0.402763 0.066 Uiso 1 1 calc R U . . . B9 B 0.39422(15) 0.50966(14) 0.26552(10) 0.0411(4) Uani 1 1 d . . . . . B10 B 0.33436(17) 0.56910(16) 0.17997(10) 0.0486(4) Uani 1 1 d . . . . . H10 H 0.312639 0.649580 0.178455 0.058 Uiso 1 1 calc R U . . . C10 C 0.91706(14) 0.38477(12) 0.38737(9) 0.0448(4) Uani 1 1 d . . . . . C11 C 1.2045(2) 0.29294(18) 0.49341(13) 0.0787(6) Uani 1 1 d . . . . . H11A H 1.237170 0.245562 0.457560 0.118 Uiso 1 1 calc R U . . . H11B H 1.164721 0.257901 0.534371 0.118 Uiso 1 1 calc R U . . . H11C H 1.273686 0.333033 0.514215 0.118 Uiso 1 1 calc R U . . . C12 C 0.35678(18) 0.53242(14) 0.40748(10) 0.0583(5) Uani 1 1 d . . . . . H12 H 0.313937 0.472088 0.413292 0.070 Uiso 1 1 calc R U . . . C13 C 0.37606(19) 0.60006(14) 0.46415(10) 0.0606(5) Uani 1 1 d . . . . . H13 H 0.349550 0.594466 0.514451 0.073 Uiso 1 1 calc R U . . . C14 C 0.44453(14) 0.68167(12) 0.43282(8) 0.0442(4) Uani 1 1 d . . . . . C15 C 0.46301(13) 0.65768(11) 0.35452(8) 0.0392(3) Uani 1 1 d . . . . . C16 C 0.52550(14) 0.72384(12) 0.30715(9) 0.0445(4) Uani 1 1 d . . . . . H16 H 0.535836 0.708862 0.255526 0.053 Uiso 1 1 calc R U . . . C17 C 0.57211(15) 0.81241(13) 0.33814(9) 0.0489(4) Uani 1 1 d . . . . . H17 H 0.615394 0.856906 0.307246 0.059 Uiso 1 1 calc R U . . . C18 C 0.49098(16) 0.77175(13) 0.46224(9) 0.0499(4) Uani 1 1 d . . . . . H18 H 0.478822 0.788509 0.513364 0.060 Uiso 1 1 calc R U . . . C19 C 0.55483(15) 0.83578(12) 0.41547(9) 0.0489(4) Uani 1 1 d . . . . . C20 C 0.6376(2) 1.00172(15) 0.40344(13) 0.0704(5) Uani 1 1 d . . . . . H20A H 0.569245 1.017620 0.367107 0.106 Uiso 1 1 calc R U . . . H20B H 0.712302 0.982988 0.376315 0.106 Uiso 1 1 calc R U . . . H20C H 0.656656 1.059100 0.434978 0.106 Uiso 1 1 calc R U . . . C21 C 0.25532(15) 0.37390(14) 0.17602(10) 0.0567(4) Uani 1 1 d . . . . . H21 H 0.173583 0.322044 0.173084 0.068 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0444(8) 0.0524(11) 0.0494(9) 0.0043(7) 0.0018(7) 0.0031(7) O1 0.0643(8) 0.0532(8) 0.0875(9) 0.0085(7) -0.0122(7) 0.0062(6) B1 0.0545(11) 0.0719(15) 0.0599(12) -0.0198(10) -0.0046(9) -0.0050(10) N1 0.0403(7) 0.0362(7) 0.0651(8) -0.0038(6) -0.0034(6) -0.0004(5) C2 0.0503(9) 0.0645(12) 0.0468(9) -0.0061(8) 0.0002(7) -0.0004(8) B2 0.0478(10) 0.0491(12) 0.0713(13) -0.0162(10) -0.0046(9) -0.0012(9) O2 0.0547(7) 0.0671(9) 0.0939(10) 0.0228(7) -0.0249(7) -0.0041(6) N2 0.0499(7) 0.0405(8) 0.0435(7) -0.0002(5) 0.0084(5) -0.0028(6) C3 0.0494(9) 0.0381(9) 0.0755(11) -0.0010(8) 0.0007(8) -0.0051(7) O3 0.1050(11) 0.0518(8) 0.0649(8) -0.0123(6) -0.0074(7) -0.0179(7) B3 0.0357(8) 0.0401(10) 0.0557(10) -0.0074(8) 0.0005(7) -0.0016(7) B4 0.0463(10) 0.0590(13) 0.0580(11) -0.0174(9) 0.0043(8) -0.0002(9) C4 0.0487(9) 0.0395(9) 0.0644(10) 0.0046(7) 0.0040(7) 0.0022(7) C5 0.0402(7) 0.0411(9) 0.0448(8) -0.0013(6) 0.0066(6) 0.0027(6) B5 0.0391(8) 0.0483(11) 0.0450(9) -0.0058(8) 0.0030(7) -0.0012(8) C6 0.0367(7) 0.0389(9) 0.0504(8) -0.0034(6) 0.0024(6) 0.0010(6) B6 0.0450(10) 0.0724(15) 0.0596(11) -0.0039(10) -0.0082(8) 0.0005(10) C7 0.0480(9) 0.0391(9) 0.0706(11) 0.0004(8) -0.0089(8) 0.0017(7) B7 0.0362(9) 0.0602(13) 0.0601(11) -0.0034(9) 0.0014(8) 0.0005(8) B8 0.0404(9) 0.0474(11) 0.0587(11) -0.0035(8) -0.0001(8) -0.0073(8) C8 0.0544(10) 0.0411(10) 0.0812(12) 0.0023(8) -0.0122(8) -0.0076(8) C9 0.0437(8) 0.0533(11) 0.0663(11) 0.0035(8) -0.0080(7) -0.0051(7) B9 0.0365(8) 0.0409(10) 0.0462(9) -0.0018(7) 0.0036(7) -0.0012(7) B10 0.0442(9) 0.0519(12) 0.0496(10) -0.0012(8) 0.0013(7) 0.0053(8) C10 0.0408(8) 0.0482(10) 0.0455(8) 0.0014(7) 0.0029(6) 0.0020(7) C11 0.0631(11) 0.0812(15) 0.0898(15) 0.0220(12) -0.0264(11) 0.0078(11) C12 0.0739(11) 0.0500(10) 0.0521(9) 0.0041(8) 0.0171(8) -0.0109(9) C13 0.0807(12) 0.0586(12) 0.0436(9) 0.0022(8) 0.0158(8) -0.0047(9) C14 0.0468(8) 0.0462(9) 0.0397(7) 0.0001(6) 0.0023(6) 0.0071(7) C15 0.0377(7) 0.0384(8) 0.0415(7) -0.0010(6) 0.0014(6) 0.0047(6) C16 0.0468(8) 0.0434(9) 0.0435(8) -0.0026(6) 0.0061(6) 0.0014(7) C17 0.0507(9) 0.0430(9) 0.0532(9) -0.0001(7) 0.0041(7) -0.0023(7) C18 0.0577(9) 0.0510(10) 0.0407(8) -0.0052(7) -0.0026(7) 0.0090(8) C19 0.0501(9) 0.0432(9) 0.0526(9) -0.0060(7) -0.0077(7) 0.0024(7) C20 0.0711(12) 0.0502(12) 0.0898(14) -0.0105(10) 0.0041(10) -0.0111(9) C21 0.0418(8) 0.0628(12) 0.0652(10) -0.0106(9) -0.0047(7) -0.0073(8) 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' B B 0.0090 0.0039 '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' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u -1 0 0 0.1 0.1 1 0 0 0.1 0.3 1 0 0 0.2 0.1 2 0 0 1271.67 42.3 -3 0 0 0.1 0.3 3 0 0 0.5 0.4 3 0 0 1 0.8 3 0 0 0.1 0.2 4 0 0 1.2 1 4 0 0 0.1 0.3 -4 0 0 0 0.3 4 0 0 0.4 0.4 -5 0 0 0.4 0.4 5 0 0 0.4 0.5 5 0 0 0.9 1.1 5 0 0 0 0.3 6 0 0 162.18 7.3 -6 0 0 157.18 5.9 6 0 0 150.68 5.8 6 0 0 154.08 6.5 7 0 0 0.2 0.5 -7 0 0 -0.5 0.4 7 0 0 -0.3 0.4 7 0 0 -0.4 0.5 -7 0 0 0 0.4 7 0 0 -2.7 2 8 0 0 413.56 14.4 8 0 0 402.26 14.6 -8 0 0 405.86 14.7 -8 0 0 419.96 14.5 -9 0 0 0.1 0.5 9 0 0 -5.1 3.5 -9 0 0 -0.2 0.6 9 0 0 0 0.5 9 0 0 -0.6 0.7 10 0 0 16.4 5.2 10 0 0 15 1.2 -10 0 0 15.6 1.5 -10 0 0 12.2 2 -11 0 0 0.4 0.5 -12 0 0 21.4 1.3 0 1 0 0.3 0.1 1 1 0 792.62 26.2 2 -1 0 207.88 6.9 2 -1 0 201.08 7.6 -2 -1 0 208.58 6.9 2 1 0 198.68 7.1 -2 1 0 209.78 7 2 1 0 203.18 6.9 2 1 0 205.28 7.3 3 -1 0 3.4 0.6 3 -1 0 2.4 1.1 3 -1 0 3.7 0.4 -3 -1 0 3.3 0.4 3 1 0 3.2 0.8 3 1 0 3.1 0.4 3 1 0 2.3 0.4 -3 1 0 3.1 0.4 4 -1 0 80.09 4.4 4 -1 0 78.89 3.1 4 1 0 78.59 3.4 -4 1 0 81.39 3.2 4 1 0 88.79 4 4 1 0 87.49 3.1 5 -1 0 31 1.6 5 -1 0 27.2 3 -5 -1 0 30.9 1.6 5 -1 0 29.6 2 5 1 0 32 1.5 5 1 0 30.4 2.7 -5 1 0 32.2 1.6 5 1 0 32.8 1.9 6 -1 0 96.99 4.6 -6 -1 0 99.19 4.1 6 -1 0 102.09 5.8 6 -1 0 100.09 4 6 1 0 103.59 4 -6 1 0 103.49 4.1 6 1 0 104.69 5.4 6 1 0 98.39 4.5 -7 -1 0 89.89 3.8 7 -1 0 93.99 3.9 7 -1 0 89.09 6.2 7 -1 0 95.69 3.9 7 -1 0 94.19 4.6 -7 -1 0 94.19 4 7 1 0 91.59 3.8 -7 1 0 94.59 3.8 7 1 0 88.49 5.6 -7 1 0 90.29 4 7 1 0 95.79 3.9 7 1 0 86.29 4.4 8 -1 0 11.5 3.7 -8 -1 0 15.9 1.6 -8 -1 0 12.9 1.3 8 -1 0 13.3 1.3 8 -1 0 20.3 2.8 8 -1 0 12.7 1.3 -8 1 0 15.6 1.6 8 1 0 13.3 1.2 8 1 0 15.7 2 8 1 0 15.1 3 -8 1 0 13.2 1.3 8 1 0 13.6 1.6 9 -1 0 18.2 2.3 9 -1 0 20.1 5 -9 -1 0 20.9 1.6 -9 -1 0 22.8 1.8 9 -1 0 24.6 1.7 -9 1 0 24.5 1.9 9 1 0 24.6 4.1 9 1 0 17.7 2.9 -9 1 0 24.2 1.6 9 1 0 23.5 1.5 10 -1 0 38.8 7.1 -10 -1 0 52.69 3 10 -1 0 55.39 3 -10 -1 0 66.39 4.1 10 -1 0 54.69 4.1 10 1 0 49.8 5.6 -10 1 0 51.09 3.1 -10 1 0 58.19 3.4 -11 -1 0 39.4 2.1 11 -1 0 40.1 2.4 -11 1 0 37.1 2 -12 -1 0 0.1 0.4 -12 1 0 0.4 0.4 0 2 0 555.84 18.4 1 -2 0 143.69 4.8 -1 -2 0 136.19 4.7 1 2 0 142.39 4.8 1 2 0 136.39 4.7 1 2 0 140.49 4.8 -1 2 0 145.29 4.8 2 -2 0 1081.59 37.6 2 2 0 1132.49 37.4 2 2 0 1160.48 37.4 3 -2 0 1604.64 55.29 3 2 0 1701.63 54.99 4 -2 0 780.52 27.6 4 -2 0 802.12 28.1 4 2 0 855.31 27.8 -5 -2 0 112.79 4.3 5 -2 0 121.29 5.4 5 -2 0 117.69 4.4 5 -2 0 110.39 5.9 -5 2 0 109.89 4.4 5 2 0 109.09 4.6 5 2 0 116.99 4.3 -6 -2 0 122.39 4.8 6 -2 0 129.99 4.8 6 -2 0 115.39 6.7 6 -2 0 120.89 5.4 -6 2 0 120.49 4.8 6 2 0 121.19 5.8 6 2 0 116.09 5.1 6 2 0 119.79 4.6 7 -2 0 3.3 0.7 7 -2 0 1.7 3.1 7 -2 0 2.9 1.3 -7 -2 0 2 0.6 7 -2 0 1.6 0.6 -7 -2 0 2.8 0.7 7 2 0 2.7 0.9 7 2 0 3.8 1.8 -7 2 0 2.8 0.6 -7 2 0 2.9 0.8 -8 -2 0 46.5 2.5 8 -2 0 55.89 6 -8 -2 0 51.19 2.7 8 -2 0 43.6 5.5 8 -2 0 48.4 2.6 8 -2 0 46.6 2.6 -8 2 0 50.29 2.7 8 2 0 46.2 3 -8 2 0 49.6 2.5 8 2 0 44.3 2.2 8 2 0 46.1 4.7 -9 -2 0 65.59 3.1 9 -2 0 61.99 3.3 9 -2 0 74.09 6.4 -9 -2 0 64.29 3.3 9 -2 0 64.69 3.2 9 2 0 69.09 6.1 9 2 0 60.29 3.7 -9 2 0 64.99 3.4 -9 2 0 66.89 3.1 10 -2 0 6 0.9 10 -2 0 1.7 8.2 -10 -2 0 6 1 -10 -2 0 7.3 1.1 10 2 0 0.9 3.6 -10 2 0 5.6 1.1 10 2 0 5.8 1.4 -10 2 0 7.3 1.1 -11 -2 0 5.5 0.8 11 -2 0 4.9 0.7 -11 2 0 3.7 0.6 -12 -2 0 11.2 0.9 -12 2 0 10.4 0.8 0 -3 0 0.2 0.1 1 -3 0 0.2 0.2 -1 -3 0 0.1 0.1 -1 3 0 0 0.7 2 -3 0 191.58 6.6 -2 -3 0 193.18 6.5 2 3 0 200.58 6.7 2 3 0 178.88 6.6 -2 3 0 193.68 6.6 2 3 0 194.18 6.8 2 3 0 191.48 6.6 -3 -3 0 1 0.3 3 -3 0 0.7 0.3 3 -3 0 0.5 1.7 3 3 0 0.9 0.6 3 3 0 1.1 0.4 3 3 0 2.9 1.1 3 3 0 0.5 0.3 -3 3 0 0.2 0.3 4 -3 0 65.39 3.4 4 -3 0 66.29 4.5 -4 -3 0 67.89 2.7 4 -3 0 72.19 2.8 4 3 0 73.19 4.3 -4 3 0 69.29 2.8 4 3 0 67.49 2.9 4 3 0 66.59 3.3 5 -3 0 12.5 1.5 5 -3 0 14.2 1.1 -5 -3 0 15 1 5 3 0 15.2 1.9 -5 3 0 13.5 1.1 5 3 0 15.8 1.2 -6 -3 0 28.1 1.6 6 -3 0 27.9 2.2 6 -3 0 30 1.7 6 -3 0 28.5 3.9 6 -3 0 29.3 1.7 -6 3 0 30.3 1.7 6 3 0 29.1 1.5 6 3 0 27.2 1.9 6 3 0 23 2.6 7 -3 0 17.5 4.2 7 -3 0 12.5 1.3 7 -3 0 15 1.5 -7 -3 0 16 1.3 7 -3 0 14.4 2.7 -7 -3 0 14.9 1.2 7 3 0 12 2.2 -7 3 0 14.1 1.1 -7 3 0 15.2 1.5 7 3 0 14 2.1 8 -3 0 0.3 0.6 -8 -3 0 -0.1 0.5 8 -3 0 0.1 0.6 8 -3 0 -0.2 5.8 -8 -3 0 0.1 0.5 8 3 0 -0.3 1.9 -8 3 0 0.3 0.6 -8 3 0 -0.4 0.6 8 3 0 0 0.6 -9 -3 0 25.6 1.9 9 -3 0 27.9 1.9 -9 -3 0 25.6 1.7 9 -3 0 29.6 2.1 -9 3 0 26.7 1.7 9 3 0 25.4 2.2 -9 3 0 28.9 2 9 3 0 23.8 3.6 10 -3 0 17.6 1.6 -10 -3 0 18.5 1.4 -10 -3 0 15.6 1.6 10 3 0 13.2 3.6 10 3 0 15 1.8 -10 3 0 17.2 1.3 11 -3 0 69.69 3 -11 -3 0 69.79 3.1 -11 3 0 70.09 3 -12 -3 0 3.4 0.6 -12 3 0 3.2 0.6 0 4 0 157.88 6.6 0 4 0 150.88 6.8 1 -4 0 188.78 6.4 2 -4 0 8.4 0.6 -2 -4 0 6.9 0.4 2 4 0 6.6 0.4 2 4 0 7.1 0.5 -2 4 0 7.5 0.5 2 4 0 6.3 0.7 3 -4 0 123.49 4.5 -3 -4 0 124.99 4.4 -3 4 0 123.19 4.5 3 4 0 126.29 4.9 3 4 0 128.39 4.5 3 4 0 123.09 4.5 3 4 0 127.89 4.7 -4 4 0 563.34 18.9 4 4 0 568.94 19.6 4 4 0 568.94 19.9 4 4 0 544.35 19.1 5 -4 0 44.2 2.1 5 -4 0 39.4 4.7 -5 -4 0 42.4 2 5 4 0 49 4.8 5 4 0 43.2 2.2 -5 4 0 45.7 2.1 5 4 0 42.1 2.7 -6 -4 0 2.8 0.6 6 -4 0 -4.3 4.5 6 -4 0 2 0.7 6 4 0 3 1.3 -6 4 0 2.1 0.6 6 4 0 2.6 0.7 -6 4 0 2.3 0.5 -7 -4 0 7.8 0.9 7 -4 0 8.7 1.1 7 -4 0 9.1 1.2 -7 -4 0 7.7 1 7 4 0 7.1 1.1 -7 4 0 10.1 1.2 7 4 0 7.1 2.4 -7 4 0 8.6 0.9 8 -4 0 77.99 3.7 -8 -4 0 79.99 3.7 8 -4 0 76.09 3.7 -8 -4 0 81.39 3.6 -8 4 0 76.49 3.7 8 4 0 84.69 5.4 -8 4 0 80.99 3.5 8 4 0 76.09 3.9 9 -4 0 8.9 1.2 9 -4 0 16.1 1.6 -9 -4 0 15.3 1.5 -9 -4 0 11.7 1.4 9 4 0 12.5 1.6 -9 4 0 15 1.7 -9 4 0 14.5 1.3 9 4 0 12.8 3.8 -10 -4 0 6.9 0.9 10 -4 0 5.2 0.9 10 4 0 8.5 4.2 -10 4 0 4.8 0.8 11 -4 0 18.1 1.3 -11 -4 0 17.1 1.3 -11 4 0 18.4 1.1 12 -4 0 0 0.3 -12 -4 0 -0.1 0.3 0 -5 0 0.1 0.1 0 -5 0 -0.1 0.2 1 -5 0 73.79 2.6 2 -5 0 396.06 12.8 -2 -5 0 365.26 12.7 -3 -5 0 66.49 2.5 3 -5 0 67.69 2.6 3 5 0 65.99 2.5 3 5 0 67.49 2.7 -3 5 0 60.19 2.9 4 -5 0 359.96 12.1 -4 -5 0 353.96 11.9 4 5 0 359.16 12.4 4 5 0 352.16 12.3 4 5 0 343.07 12 4 5 0 339.47 12 -4 5 0 346.27 12 5 -5 0 322.87 10.9 -5 -5 0 309.07 10.7 5 5 0 321.07 11.3 5 5 0 301.77 11.7 -5 5 0 310.67 10.8 5 5 0 300.87 10.8 5 5 0 292.67 10.9 6 -5 0 0.9 0.6 6 -5 0 0.1 0.5 -6 -5 0 0.3 0.4 6 5 0 0 0.4 -6 5 0 0.2 0.5 -6 5 0 -0.2 0.3 6 5 0 1 1.2 7 -5 0 4.9 0.9 -7 -5 0 5.4 0.8 7 -5 0 3.9 0.8 -7 -5 0 5.7 0.9 -7 5 0 4.4 0.9 -7 5 0 4.7 0.7 7 5 0 6.9 1 7 5 0 3.3 1.7 8 -5 0 33.3 2.2 -8 -5 0 26.9 1.8 8 -5 0 35 2.2 -8 -5 0 26.3 1.9 -8 5 0 26.6 1.6 8 5 0 35.4 3.7 -8 5 0 30.8 2.1 8 5 0 30.1 2.2 -9 -5 0 0.3 0.5 9 -5 0 0.7 0.6 9 -5 0 0.8 0.8 -9 -5 0 0.4 0.6 9 5 0 1 0.7 9 5 0 -1.2 2.3 -9 5 0 0.5 0.5 10 -5 0 0.7 0.6 -10 -5 0 1.2 0.5 -10 5 0 1.3 0.5 10 5 0 -0.6 3 -11 -5 0 3 0.6 11 -5 0 2.7 0.9 0 -6 0 102.29 3.6 0 -6 0 100.69 3.5 1 -6 0 2.1 0.3 -2 -6 0 0 0.2 2 -6 0 0.7 0.3 -2 -6 0 0.5 0.2 3 -6 0 46.7 2 -3 6 0 43.1 1.8 -4 -6 0 3.6 0.5 4 -6 0 4.1 0.6 4 6 0 3.6 0.6 -4 6 0 3.3 0.5 5 -6 0 56.99 2.8 5 -6 0 59.99 2.8 -5 -6 0 62.19 2.6 5 6 0 61.59 2.9 5 6 0 60.99 3.3 5 6 0 60.99 2.6 -5 6 0 58.69 2.6 5 6 0 60.69 2.5 6 -6 0 115.59 4.7 6 -6 0 112.99 4.7 -6 -6 0 118.39 4.5 -6 6 0 110.39 4.3 6 6 0 113.09 5.6 6 6 0 118.89 4.4 -6 6 0 111.09 4.5 -6 6 0 108.89 4.9 6 6 0 112.09 4.5 7 -6 0 0.5 0.6 -7 -6 0 0.1 0.5 7 -6 0 0.1 0.6 -7 -6 0 0.2 0.5 7 6 0 0 1.4 7 6 0 0.7 0.5 -7 6 0 1 0.4 8 -6 0 18.6 1.6 -8 -6 0 15.1 1.4 -8 -6 0 19.1 1.5 8 -6 0 21 1.7 -8 6 0 20.4 1.3 8 6 0 17.6 1.3 8 6 0 15.8 2.2 9 -6 0 0.4 0.8 -9 -6 0 0.8 0.6 9 -6 0 0.1 0.6 -9 -6 0 0.7 0.5 -9 6 0 0.2 0.4 9 6 0 0.2 1.8 -10 -6 0 12.5 1.1 10 -6 0 7.4 1 11 -6 0 20.3 1.4 -11 -6 0 22.9 1.3 0 -7 0 0 0.2 1 -7 0 117.69 4.2 2 -7 0 34.1 1.5 -3 -7 0 0 0.2 3 -7 0 -0.1 0.3 -4 -7 0 5.2 0.5 4 -7 0 4.1 0.7 -4 7 0 4.6 1 -5 -7 0 53.39 2.4 5 -7 0 53.69 2.6 5 -7 0 53.99 2.7 -5 7 0 53.19 3.2 -6 -7 0 0.8 0.5 6 -7 0 0.7 0.6 6 -7 0 0.5 0.6 -6 7 0 0 0.7 7 -7 0 2.7 0.8 7 -7 0 3.1 0.8 -7 -7 0 5.2 1 -7 -7 0 2.9 1.1 -8 -7 0 23.5 1.6 -8 -7 0 21.7 1.6 8 -7 0 26.1 1.9 8 -7 0 24 1.9 -9 -7 0 -0.2 0.5 9 -7 0 0.4 0.6 10 -7 0 -0.1 0.4 -10 -7 0 -0.4 0.3 11 -7 0 3.1 0.6 -11 -7 0 4.7 0.6 1 -8 0 78.39 2.9 2 -8 0 98.99 3.7 -2 8 0 93.99 4.4 3 -8 0 42.4 2 -4 -8 0 2 0.3 4 -8 0 1.7 0.7 4 -8 0 1.8 0.5 -4 8 0 1.1 0.8 -5 -8 0 28.5 1.4 5 -8 0 30.9 1.8 5 -8 0 29.8 1.9 -5 8 0 28 2.1 -6 -8 0 7.5 0.8 6 -8 0 8 1.2 6 -8 0 5.7 1 -6 8 0 8.9 1.5 -7 -8 0 267.97 9.7 7 -8 0 288.77 10.3 7 -8 0 273.37 10.2 -7 8 0 269.97 10.2 8 -8 0 80.09 3.9 -8 -8 0 76.09 3.4 8 -8 0 84.19 3.8 9 -8 0 0 0.5 -9 -8 0 -0.1 0.7 -10 -8 0 3.7 0.6 10 -8 0 3.7 0.8 0 9 0 0.2 0.7 1 -9 0 69.49 2.7 -1 9 0 71.89 3.6 2 -9 0 67.89 2.8 -2 9 0 67.89 3.5 3 -9 0 1.2 0.5 -3 9 0 0.5 0.8 4 -9 0 47.2 2.5 4 -9 0 47.3 2.4 -4 9 0 53.29 3.1 5 -9 0 0.5 0.6 -5 9 0 -0.4 0.7 6 -9 0 70.49 3.3 6 -9 0 67.79 3.3 -6 9 0 70.79 3.7 7 -9 0 58.59 3.3 7 -9 0 56.09 3 8 -9 0 11.9 1.3 9 -9 0 17.8 1.4 10 -9 0 5.8 0.8 0 10 0 29.3 2.2 1 -10 0 86.09 3.2 -1 10 0 85.99 4.3 1 10 0 89.49 4.2 2 -10 0 22.3 1.3 -2 10 0 21.2 2 2 10 0 24.6 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5 3 24.1 1.5 3 5 3 23.8 1 4 -5 3 73.89 3.1 -4 -5 -3 75.69 2.9 -4 5 -3 75.09 3.1 4 5 3 71.79 3.6 4 5 3 74.29 2.9 4 5 3 71.09 3 4 5 3 79.19 3.3 5 -5 3 2.1 0.5 -5 -5 -3 2.4 0.5 5 -5 3 2.2 0.6 5 5 3 3 0.6 5 5 3 2.4 1 -5 5 -3 2.6 0.6 -6 -5 -3 152.08 5.6 -6 -5 -3 132.49 6.3 6 -5 3 140.59 5.7 6 -5 3 148.09 5.8 -6 5 -3 147.89 5.5 6 5 3 145.69 5.6 -6 5 -3 141.79 5.7 6 5 3 148.59 6.3 -7 -5 -3 59.59 2.9 -7 -5 -3 66.59 3.1 7 -5 3 61.39 3.2 -7 5 -3 66.29 2.9 7 5 3 64.19 4 7 5 3 65.69 3.1 -7 5 -3 57.49 3.1 8 -5 3 111.29 4.8 -8 -5 -3 110.19 4.6 8 -5 3 107.79 4.9 -8 -5 -3 110.49 4.8 8 5 3 117.29 5.9 8 5 3 114.29 4.8 -8 5 -3 108.49 4.4 -8 5 -3 110.99 5.1 -9 -5 -3 12.1 1.4 9 -5 3 11.1 1.7 -9 -5 -3 16.4 1.9 9 -5 3 13.8 1.7 -9 5 -3 14.4 1.3 9 5 3 13.9 2.6 -10 -5 -3 23.6 1.5 10 -5 3 24.3 1.7 -10 5 -3 23.6 1.3 -11 -5 -3 8.9 0.9 11 -5 3 8.6 0.8 11 -6 -3 1.4 0.5 -11 -6 3 1.1 0.4 10 -6 -3 7 1.1 -10 -6 3 6.4 0.8 -9 -6 3 8.3 1 9 -6 -3 8.6 1.2 -9 -6 3 9.4 1.3 9 6 -3 4.2 2.4 9 6 -3 7.2 1 8 -6 -3 52.99 2.8 -8 -6 3 46.8 2.5 -8 -6 3 50.69 2.5 8 -6 -3 46.1 2.7 8 6 -3 47.3 2.6 -7 -6 3 81.39 3.5 7 -6 -3 81.89 3.8 7 -6 -3 82.69 3.8 -7 -6 3 79.59 3.5 -7 6 3 73.59 3.3 7 6 -3 86.09 4.7 7 6 -3 78.09 3.6 -6 -6 3 98.69 3.9 6 -6 -3 94.09 4.1 6 -6 -3 98.59 4.2 -6 -6 3 86.29 4.3 6 6 -3 100.79 4.1 6 6 -3 96.19 4.8 5 -6 -3 18.3 1.3 5 -6 -3 18.4 1.4 -5 -6 3 21.6 1.3 5 6 -3 18.8 2.1 5 6 -3 19.4 1.3 4 -6 -3 32.8 1.7 -4 -6 3 32 1.5 4 6 -3 33 1.7 4 6 -3 34 2.2 4 6 -3 30.9 1.7 4 6 -3 33.2 3 -3 -6 3 5.1 0.5 3 -6 -3 5 0.6 3 6 -3 5 1.2 3 6 -3 4.8 0.6 3 6 -3 5.3 0.6 3 6 -3 5.2 0.9 2 -6 -3 105.19 3.8 -2 -6 3 104.29 3.8 2 6 -3 101.29 3.8 2 6 -3 108.09 4.3 -1 -6 3 37.2 1.6 1 -6 -3 37.5 1.5 1 6 -3 35.3 1.8 1 6 -3 40.1 2.1 0 -6 -3 2.4 0.3 0 -6 3 1.5 0.3 0 -6 -3 2.6 0.3 0 6 -3 1.9 0.4 0 6 -3 0.1 1 1 -6 3 49.7 2 -1 6 -3 46.2 2.2 -1 6 -3 53.79 3.2 -2 -6 -3 151.98 5 2 -6 3 153.88 5.3 -2 -6 -3 137.69 5 -2 6 -3 143.69 5.1 -2 6 -3 147.29 6.8 -3 -6 -3 36.8 1.5 3 -6 3 35.7 1.7 -3 6 -3 34.7 1.6 4 -6 3 72.99 3.1 -4 -6 -3 75.09 2.8 -4 6 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0.2 0.4 6 7 -3 0.2 1.1 5 -7 -3 0.9 0.6 5 -7 -3 0.6 0.5 -5 -7 3 0.8 0.4 5 7 -3 0.7 0.4 5 7 -3 0 0.9 5 7 -3 0.5 0.3 -5 7 3 0.3 0.7 5 7 -3 -0.3 1.4 -4 -7 3 0.5 0.3 4 7 -3 0.7 0.9 -4 7 3 -0.1 0.6 4 7 -3 0.3 0.7 -3 -7 3 64.19 2.5 3 -7 -3 64.09 2.7 -2 -7 3 16 0.9 2 -7 -3 14.6 0.9 -1 -7 3 36.7 1.6 1 -7 -3 38.3 1.6 0 -7 -3 170.18 5.9 0 -7 3 177.08 6.1 0 7 -3 179.18 6.5 0 7 -3 175.18 6.2 1 -7 3 96.99 3.6 -1 7 -3 98.19 4.5 -1 7 -3 93.09 3.8 2 -7 3 2.5 0.5 -2 7 -3 3.7 2.2 -2 7 -3 2.7 0.6 -3 -7 -3 0.5 0.2 3 -7 3 0.7 0.4 -3 7 -3 0.7 0.7 -4 -7 -3 10.7 0.7 4 -7 3 12.2 1.2 4 -7 3 10.2 1.1 -4 7 -3 9.3 1.8 5 -7 3 12.1 1.2 -5 -7 -3 9.2 0.8 5 -7 3 10.8 1.2 -5 7 -3 11.7 1.6 -6 -7 -3 72.39 3.2 6 -7 3 82.69 3.6 -6 7 -3 73.29 3.8 7 -7 3 60.59 3.1 -7 -7 -3 57.09 2.8 7 -7 3 67.19 3.1 -7 7 -3 52.99 3.1 8 -7 3 27.7 2 8 -7 3 27.6 2 -9 -7 -3 15.9 1.2 9 -7 3 13.3 1.4 -10 -7 -3 0.8 0.4 10 -7 3 0.6 0.5 -11 -7 -3 24.9 1.2 11 -7 3 25.9 1.4 -10 -8 3 2.9 0.5 10 -8 -3 3.1 0.6 9 -8 -3 0.5 0.6 -9 -8 3 1.3 0.8 8 -8 -3 7.9 1.3 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1.1 0 14 -3 6.7 1.2 -1 14 -3 4.3 1 1 14 3 4.1 1 2 14 3 9.1 1.7 -2 14 -3 8.9 1.4 3 14 3 -0.3 0.6 -3 14 -3 0 0.7 -4 14 -3 7.2 1.3 -5 14 -3 1.2 0.8 -4 15 3 2.3 0.7 -3 15 3 2.5 0.8 -2 15 3 3.1 0.9 2 15 -3 2.9 1 -1 15 3 3.5 0.9 1 15 -3 2.5 0.9 0 15 3 2.5 0.8 0 15 -3 1.9 0.8 -1 15 -3 5.8 1.1 1 15 3 4.4 0.9 -2 15 -3 1 0.8 2 15 3 1.5 0.7 -3 15 -3 4.6 1 -4 15 -3 6.3 1 -12 0 4 0.3 0.3 -11 0 4 -0.2 0.4 10 0 -4 48.7 2.4 -10 0 4 50.29 2.8 10 0 -4 34.8 6.8 -10 0 4 48.4 2.5 9 0 -4 -1.6 4.2 -9 0 4 0.2 0.5 9 0 -4 -1.1 1 9 0 -4 -0.3 0.5 -9 0 4 -0.1 0.6 9 0 -4 0.1 0.7 8 0 -4 73.59 3.5 -8 0 4 71.49 3.5 8 0 -4 70.19 4.2 8 0 -4 81.69 3.5 -8 0 4 72.39 4.4 8 0 -4 66.79 6.5 7 0 -4 1.7 2.5 -7 0 4 0.2 0.4 7 0 -4 0.1 0.5 -7 0 4 -0.1 0.4 7 0 -4 0.1 0.6 7 0 -4 -0.1 0.6 -6 0 4 342.47 11.6 -6 0 4 357.26 12.4 6 0 -4 321.07 13.1 6 0 -4 293.17 12.5 5 0 -4 -2.6 1.4 5 0 -4 0.4 0.5 -5 0 4 0.6 0.4 -4 0 4 3.2 0.8 -4 0 4 6.1 2 -3 0 4 0 0.2 -3 0 4 -0.2 0.4 -3 0 4 -0.5 1.1 3 0 -4 0.3 0.3 -2 0 4 25.6 1.5 -2 0 4 27.1 2.2 -2 0 4 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2.3 9 -1 -4 49 4.1 9 -1 -4 36.9 2.2 9 -1 -4 33.4 2.3 -9 -1 4 35.8 2.1 -9 1 4 33 2.2 9 1 -4 35.5 4.8 9 1 -4 33 2.8 9 1 -4 36.6 2 -9 1 4 36.8 2.1 -8 -1 4 1.5 0.6 8 -1 -4 0.9 1 -8 -1 4 0.2 0.7 8 -1 -4 0.4 0.6 8 -1 -4 2.6 6.8 8 1 -4 2.4 0.8 8 1 -4 0.8 0.6 8 1 -4 0.7 0.9 -8 1 4 1.2 0.6 8 1 -4 -0.2 2.9 -8 1 4 1.3 0.7 -7 -1 4 53.09 2.5 7 -1 -4 46.6 5.6 7 -1 -4 47.8 3.2 7 -1 -4 52.49 2.7 -7 -1 4 51.89 2.6 -7 1 4 51.59 2.5 7 1 -4 65.29 3.8 7 1 -4 50.99 2.6 -7 1 4 50.49 2.6 7 1 -4 50.09 4.7 7 1 -4 51.09 2.5 6 -1 -4 0.8 0.9 6 -1 -4 1.9 2.4 -6 -1 4 0.2 0.4 6 -1 -4 0.2 0.5 6 -1 -4 0.1 0.4 6 1 -4 0.4 0.6 -6 1 4 0.7 0.5 -6 1 4 0.6 0.4 6 1 -4 0.6 0.5 6 1 -4 -0.5 1.7 -5 -1 4 0.8 0.4 5 -1 -4 -0.6 1.8 5 -1 -4 0.6 0.6 5 -1 -4 0.7 0.4 -5 1 4 0.6 0.4 5 1 -4 -2.6 1.2 5 1 -4 0.4 0.6 5 1 -4 0.3 0.4 -4 -1 4 229.98 7.9 -4 -1 4 220.88 8.5 4 -1 -4 221.68 7.9 -4 -1 4 222.88 9.4 4 1 -4 230.28 7.9 -4 1 4 228.78 7.9 -3 -1 4 50.99 2.5 -3 -1 4 52.59 3.6 3 -1 -4 52.89 2.2 -3 -1 4 52.89 2.1 -3 1 4 54.09 3.2 -3 1 4 50.69 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4 7.5 0.9 8 2 -4 6.2 0.9 8 2 -4 5.7 1.3 -8 2 4 5.9 1 8 2 -4 2.6 2.7 7 -2 -4 144.39 5.7 -7 -2 4 150.58 5.6 7 -2 -4 144.69 5.6 7 -2 -4 135.69 9 7 -2 -4 127.79 6.3 -7 -2 4 141.09 5.5 7 2 -4 124.69 5.5 -7 2 4 141.09 5.6 7 2 -4 143.19 5.5 7 2 -4 143.09 7.5 7 2 -4 140.89 6.2 -7 2 4 143.69 5.5 6 -2 -4 1.4 0.7 -6 -2 4 1 0.7 -6 -2 4 1.2 0.5 6 -2 -4 2.2 0.6 6 -2 -4 3.3 0.7 6 -2 -4 -3.8 2.7 6 2 -4 2.8 0.6 -6 2 4 2.1 0.6 6 2 -4 2.7 0.8 6 2 -4 1.5 1.5 -6 2 4 1.5 0.5 5 -2 -4 39.8 1.9 -5 -2 4 36.9 1.8 5 -2 -4 35.7 4.2 5 2 -4 32.6 2.8 -5 2 4 37 1.8 4 -2 -4 205.38 7.4 -4 -2 4 175.88 6.4 4 -2 -4 166.88 7.8 4 -2 -4 175.38 6.5 4 2 -4 179.98 6.4 -3 -2 4 276.17 10.9 3 2 -4 290.87 9.6 -3 2 4 274.87 9.6 -3 2 4 279.27 10.1 -3 2 4 285.97 10.5 -2 -2 4 1070.99 37.4 -2 2 4 1140.89 37.3 -1 -2 4 691.53 24.8 -1 2 4 758.32 24.7 -1 2 4 737.53 24.4 0 -2 4 599.24 20.7 0 2 4 607.54 20.4 1 -2 4 1.4 1.2 -1 -2 -4 0.9 0.3 1 -2 4 2 0.3 1 2 4 1.3 0.2 -1 2 -4 1.9 0.4 1 2 4 1.2 0.3 1 2 4 0.5 0.6 2 -2 4 393.96 14.6 2 -2 4 409.96 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1.1 11 -2 4 0.8 0.4 -11 -2 -4 1.8 0.6 -11 2 -4 1.2 0.5 -12 -2 -4 4 0.6 -12 2 -4 4.9 0.5 -12 -3 4 0 0.3 12 -3 -4 -0.2 0.4 -12 3 4 0.4 0.5 -11 -3 4 58.39 2.6 11 -3 -4 53.99 2.6 -11 3 4 51.69 2.6 -10 -3 4 0 0.5 10 -3 -4 0.2 0.6 10 3 -4 -0.7 4.2 -10 3 4 0.1 0.4 -9 -3 4 5.6 0.9 9 -3 -4 7.6 1.1 9 -3 -4 7.4 1.3 -9 -3 4 7.6 1.1 -9 3 4 6.6 1.1 -9 3 4 6.2 0.9 9 3 -4 7 1.4 9 3 -4 1.5 4 -8 -3 4 0.1 0.5 -8 -3 4 0 0.5 8 -3 -4 1.3 0.7 -8 3 4 -0.1 0.6 8 3 -4 1.1 0.8 -8 3 4 0.6 0.5 8 3 -4 -1.2 2.3 7 -3 -4 35.6 2.1 -7 -3 4 37.9 2 -7 -3 4 37.3 2.1 7 -3 -4 47.2 6.5 7 -3 -4 34.8 2.2 -7 3 4 35.1 1.9 7 3 -4 36.7 2.5 -7 3 4 36.5 2.1 -6 -3 4 85.49 3.7 -6 -3 4 92.49 4.1 6 -3 -4 95.39 4.1 6 -3 -4 80.89 7.5 6 3 -4 92.59 5.1 -6 3 4 94.39 3.7 6 3 -4 89.79 4.2 6 3 -4 94.99 4 -6 3 4 92.89 3.8 -5 -3 4 4.9 0.7 5 -3 -4 5.2 0.8 5 3 -4 5.4 0.8 -5 3 4 5.4 0.7 5 3 -4 5.6 1.4 5 3 -4 5.7 0.7 4 -3 -4 10.6 0.9 4 -3 -4 11.5 1.4 4 -3 -4 13.4 3 -4 -3 4 13.3 0.9 -4 3 4 10.9 0.9 4 3 -4 13.1 0.9 3 -3 -4 217.78 7.5 -3 -3 4 208.18 7.4 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54.19 3.8 -6 4 4 52.79 2.4 -5 -4 4 100.29 4 5 -4 -4 101.99 4.1 -5 4 4 100.09 4 5 4 -4 101.79 4.4 5 4 -4 104.99 5 5 4 -4 99.99 3.8 -4 -4 4 227.38 7.6 4 -4 -4 221.58 7.7 -4 4 4 218.88 7.6 4 4 -4 189.08 9.4 -3 -4 4 21.7 1.1 3 -4 -4 24.8 1.2 3 4 -4 22.6 1.1 3 4 -4 17.7 2.4 -3 4 4 23.5 1.1 2 4 -4 134.19 5.8 -2 4 4 137.59 4.7 2 4 -4 133.39 4.7 -1 -4 4 116.89 4.1 -1 4 4 119.69 4.6 1 4 -4 118.09 4.1 -1 4 4 113.69 4.3 0 -4 4 79.59 2.9 0 -4 -4 75.59 2.8 0 4 4 75.49 2.9 0 4 -4 76.79 4 0 4 -4 77.09 2.8 0 4 4 77.49 3.1 1 -4 4 109.59 4 -1 -4 -4 106.29 3.8 1 4 4 106.59 3.9 1 4 4 112.89 4.1 -1 4 -4 111.79 4 2 -4 4 15.1 0.9 -2 -4 -4 14.7 0.8 2 4 4 14.7 1.2 2 4 4 14.4 0.8 -2 4 -4 14.3 0.9 3 -4 4 0.2 0.7 3 -4 4 1.5 2.6 3 -4 4 0.6 0.4 -3 -4 -4 0.3 0.3 -3 4 -4 0.5 0.4 3 4 4 0 0.3 4 -4 4 65.29 5.8 -4 -4 -4 63.89 2.7 4 4 4 64.79 2.8 -4 4 -4 70.89 2.9 4 4 4 67.89 3.3 -5 -4 -4 295.17 10.2 5 -4 4 283.27 10.9 5 -4 4 276.27 12.9 5 -4 4 291.27 10.3 5 4 4 296.97 10.9 -5 4 -4 280.27 10.3 5 4 4 291.17 10.4 5 4 4 293.77 12 6 -4 4 10.2 5 6 -4 4 12.3 1.3 6 -4 4 10.4 1.2 -6 -4 -4 12.6 1.1 -6 -4 -4 11.7 1.1 -6 4 -4 11.3 1.2 6 4 4 13.2 1.3 -6 4 -4 13.4 1.2 6 4 4 16.4 2.1 -7 -4 -4 23.1 1.6 7 -4 4 25.5 1.8 7 -4 4 25.1 1.8 -7 -4 -4 23.9 1.7 -7 4 -4 27.6 1.6 -7 4 -4 22.8 1.8 7 4 4 24.7 2.8 7 4 4 20.4 1.7 -8 -4 -4 155.78 6.3 -8 -4 -4 150.18 6 8 -4 4 152.38 6.2 8 -4 4 151.78 6.4 8 4 4 156.38 7.7 -8 4 -4 161.48 6 -9 -4 -4 -1 0.5 -9 -4 -4 0.3 0.5 9 -4 4 -0.2 0.5 9 -4 4 0.4 0.8 9 4 4 -0.8 2.4 -9 4 -4 0.7 0.5 9 4 4 0.4 0.7 -10 -4 -4 0.3 0.4 10 -4 4 0.2 0.5 10 4 4 -0.5 5.4 -10 4 -4 0.7 0.5 11 -4 4 0.7 0.4 -11 -4 -4 0.3 0.4 -11 4 -4 0 0.3 -11 -5 4 4.2 0.6 11 -5 -4 1.8 0.5 10 -5 -4 0.7 0.6 -10 -5 4 0.3 0.4 -10 5 4 -0.4 0.4 -9 -5 4 5 1.1 9 -5 -4 3.8 1.1 9 5 -4 4.8 1.2 9 5 -4 7.4 2.8 -9 5 4 5.8 0.8 8 -5 -4 4.4 1 -8 -5 4 4.3 0.9 -8 -5 4 3.5 0.8 8 -5 -4 4.5 1 8 5 -4 8 2.4 8 5 -4 3.6 1 -8 5 4 3.5 0.6 -7 -5 4 17.6 1.4 7 -5 -4 18.6 1.6 -7 -5 4 19.8 1.5 -7 5 4 18.4 1.2 7 5 -4 18.1 2.6 -7 5 4 18.4 1.5 7 5 -4 19.9 1.7 -6 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23.8 1.5 -6 -5 -4 24 1.5 6 -5 4 21.9 1.6 -6 5 -4 23.4 1.4 -6 5 -4 23.4 1.9 6 5 4 25.6 1.6 -6 5 -4 23 1.6 7 -5 4 28.9 2 -7 -5 -4 29.2 1.9 -7 -5 -4 27.6 1.7 7 -5 4 27.5 1.9 -7 5 -4 27.4 1.9 7 5 4 27.4 3.1 7 5 4 30 1.9 -8 -5 -4 87.49 4 8 -5 4 95.09 4.3 8 -5 4 97.19 4.4 -8 -5 -4 92.79 4.2 -8 5 -4 95.39 3.9 -8 5 -4 96.39 4.4 8 5 4 92.99 5.4 8 5 4 94.79 4.1 9 -5 4 43.1 2.4 -9 -5 -4 37.7 2.4 -9 -5 -4 42.5 2.3 9 -5 4 44.1 2.6 -9 5 -4 42.6 2.1 9 5 4 39.9 4.2 9 5 4 42.2 2.2 -10 -5 -4 1.8 0.5 10 -5 4 1.5 0.6 -10 5 -4 2 0.5 -11 -5 -4 1.2 0.5 11 -5 4 0.5 0.4 -11 -6 4 6.4 0.7 11 -6 -4 6.2 0.7 -10 -6 4 24 1.5 10 -6 -4 19.4 1.5 -9 -6 4 -0.3 0.4 9 -6 -4 -0.3 0.5 9 6 -4 -1.1 2.4 9 6 -4 -0.2 0.6 -8 -6 4 0.2 0.4 8 -6 -4 -0.1 0.6 8 -6 -4 0 0.5 -8 -6 4 0.1 0.5 8 6 -4 0.2 0.5 7 -6 -4 0.7 0.7 -7 -6 4 1.2 0.6 -7 -6 4 1.1 0.5 7 -6 -4 0.5 0.6 7 6 -4 -1.4 1.7 7 6 -4 0.8 0.6 6 -6 -4 72.19 3.4 6 -6 -4 78.39 3.5 -6 -6 4 68.09 3.2 -6 -6 4 76.19 3.2 6 6 -4 76.09 4.3 6 6 -4 72.99 3.4 -6 6 4 63.99 3.5 5 -6 -4 75.99 3.4 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1.2 8 -6 4 28 1.9 -8 -6 -4 23.7 1.8 -8 -6 -4 28.8 1.7 8 -6 4 26 2 -8 6 -4 24.1 1.5 9 -6 4 4.4 0.9 -9 -6 -4 4.8 0.8 -9 6 -4 5.4 0.7 10 -6 4 45.4 2.4 -10 -6 -4 49.9 2.4 11 -6 4 6.4 0.7 -11 -6 -4 7.5 0.9 -11 -7 4 -0.1 0.3 11 -7 -4 0 0.4 -10 -7 4 0.1 0.4 10 -7 -4 0.7 0.5 -9 -7 4 1.9 0.6 9 -7 -4 1.6 0.6 8 -7 -4 8.9 1.2 -8 -7 4 14.3 1.8 -8 -7 4 8.3 1.4 7 -7 -4 87.39 3.9 7 -7 -4 88.69 3.9 -7 -7 4 84.59 3.6 -7 -7 4 78.09 3.5 7 7 -4 84.29 4.3 7 7 -4 77.99 3.3 7 7 -4 70.69 5.7 -6 -7 4 0.3 0.4 6 -7 -4 0.9 0.6 6 -7 -4 0 0.7 -6 -7 4 0.5 0.5 6 7 -4 -0.7 1.3 6 7 -4 0.9 0.6 -6 7 4 1.7 0.8 6 7 -4 1 0.5 5 -7 -4 14.8 1.4 -5 -7 4 12.9 1 5 -7 -4 14.1 1.3 5 7 -4 13.9 1 -5 7 4 11.9 1.4 5 7 -4 14.8 2.2 5 7 -4 12.3 1 5 7 -4 13.8 1.7 -4 -7 4 102.59 3.9 4 -7 -4 101.29 4.1 4 7 -4 104.19 4.3 4 7 -4 94.29 4.6 4 7 -4 97.39 3.9 4 7 -4 102.49 3.9 3 -7 -4 39.9 1.9 -3 -7 4 39.4 1.7 -3 7 4 34.9 2.3 3 7 -4 39.8 2.2 3 7 -4 40.2 3 3 7 -4 39.8 1.7 -2 -7 4 152.48 5.4 2 -7 -4 148.69 5.4 -1 -7 4 53.59 2.2 1 7 -4 61.39 3.4 1 7 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41.3 2.6 2 8 -4 40.6 2.5 -1 -8 4 164.58 5.8 1 -8 -4 162.58 5.7 -1 8 4 165.98 6.8 1 8 -4 157.78 6.5 0 -8 4 1.7 0.4 0 8 -4 1.5 0.8 0 8 4 0.8 0.7 0 8 -4 0.5 1 0 8 -4 2.1 0.5 1 -8 4 59.49 2.4 -1 8 -4 55.69 3.3 1 8 4 53.79 3 -1 8 -4 55.09 2.6 2 -8 4 24.5 1.7 -2 8 -4 26.7 2 2 8 4 26.8 1.9 3 -8 4 30.1 1.7 3 -8 4 30.1 1.8 -3 8 -4 31.7 2.2 3 8 4 29.9 2.1 4 -8 4 87.49 3.8 4 -8 4 84.29 3.8 -4 8 -4 88.89 4.3 5 -8 4 3.6 1 -5 -8 -4 2.7 0.5 5 -8 4 3.5 0.8 6 -8 4 12.8 1.4 6 -8 4 11.9 1.4 -6 8 -4 11.8 1.6 -7 -8 -4 14.1 1.2 7 -8 4 13.5 1.5 7 -8 4 12.2 1.3 -7 8 -4 14.1 1.7 8 -8 4 3 0.7 -9 -8 -4 3.2 0.6 9 -8 4 3.2 0.7 10 -8 4 0.9 0.4 10 -9 -4 13.9 1 9 -9 -4 6.1 0.9 -9 -9 4 6.4 0.7 8 -9 -4 4.4 0.9 7 -9 -4 4.5 0.9 -7 9 4 4.5 1 6 -9 -4 40.9 2.3 -6 -9 4 34.6 1.8 -6 9 4 36.3 2.5 -5 -9 4 6.1 0.7 5 -9 -4 6.1 1 5 -9 -4 6 1.1 -5 9 4 6.2 1.3 4 -9 -4 2.8 0.7 4 -9 -4 2.7 0.8 -4 -9 4 4.4 0.6 -3 -9 4 7.6 0.7 3 9 -4 7.9 1.2 -3 9 4 7.7 1.4 2 -9 -4 18.3 1.3 2 9 -4 18.3 1.7 -2 9 4 22.1 2.2 1 -9 -4 43 1.8 -1 -9 4 40.9 1.9 1 9 -4 41.3 2.5 -1 9 4 41.7 2.7 0 -9 4 12.6 1.2 0 9 -4 11.8 1.6 0 9 4 11 1.4 1 -9 4 30 1.6 -1 9 -4 31.8 2.3 1 9 4 32.4 2.3 2 -9 4 102.69 4.1 -2 9 -4 104.79 4.8 2 9 4 106.49 4.8 3 -9 4 5.2 0.8 3 -9 4 7.3 1 3 9 4 5.5 1.1 -3 9 -4 5.7 1.2 4 -9 4 8.2 1.1 4 -9 4 8.1 1.1 4 9 4 8.7 1.2 -4 9 -4 8.7 1.5 5 -9 4 74.59 3.5 5 -9 4 69.79 3.5 -5 9 -4 79.99 4 6 -9 4 32.3 2 6 -9 4 26.4 1.9 -6 9 -4 28.9 2.4 7 -9 4 5.1 0.9 7 -9 4 5.1 0.9 -7 9 -4 7.3 1.3 8 -9 4 2.6 0.7 10 -9 4 11.1 0.9 9 -10 -4 5.6 0.7 8 -10 -4 0 0.5 7 -10 -4 2.5 0.7 -7 10 4 3.9 0.9 6 -10 -4 12.1 1.3 -6 10 4 14.9 1.7 5 -10 -4 109.59 4.7 -5 10 4 116.39 5.3 -4 10 4 41.9 2.8 3 -10 -4 71.79 3 -3 -10 4 64.89 2.8 -3 10 4 81.29 4 -2 -10 4 0 0.3 2 -10 -4 0.5 0.4 -2 10 4 0.2 0.8 2 10 -4 -0.5 0.7 -1 -10 4 10.9 0.8 -1 10 4 8.4 2 1 10 -4 11.8 1.5 0 -10 4 36.4 1.7 0 10 4 33.7 2.5 0 10 -4 31 2.4 1 -10 4 0.3 0.4 1 10 4 0.8 0.8 2 -10 4 50.99 2.4 -2 10 -4 51.69 3.2 3 -10 4 41.5 2.2 3 -10 4 37.4 2.7 3 10 4 41.3 2.6 -3 10 -4 41.1 2.8 4 -10 4 14.4 1.4 4 -10 4 13.7 1.4 -4 10 -4 19.4 2.2 5 -10 4 90.19 4.2 5 -10 4 97.49 4.2 -5 10 -4 95.99 4.7 6 -10 4 0.1 0.5 6 -10 4 -0.7 0.5 -6 10 -4 0 0.9 7 -10 4 1.2 0.6 -7 10 -4 2.4 1 8 -10 4 0.4 0.5 9 -10 4 3.3 0.6 8 -11 -4 8.1 0.9 7 -11 -4 3.6 1.1 -7 11 4 6 1 6 -11 -4 10.7 1.2 -6 11 4 10.6 1.4 5 -11 -4 4.3 0.8 -5 11 4 3.4 1 4 -11 -4 94.29 4 -4 11 4 105.69 4.9 -3 11 4 1.8 1 3 11 -4 0.6 0.9 -2 11 4 0.2 0.8 2 11 -4 -0.7 0.7 -1 11 4 0.8 1 1 11 -4 0.5 0.8 0 -11 4 20 1.4 0 11 -4 22.2 2.1 0 11 4 24.4 2.1 1 -11 4 35.2 2.1 -1 11 -4 41.7 2.8 1 11 4 39.1 2.7 2 -11 4 102.59 4.2 2 11 4 100.39 4.9 -2 11 -4 107.29 5 3 -11 4 9.1 1.1 3 -11 4 11.5 1.2 -3 11 -4 13.1 1.9 3 11 4 13.9 1.8 4 -11 4 8.3 1 4 -11 4 10 1.1 -4 11 -4 7.4 1.4 5 -11 4 0.2 1 5 -11 4 -0.5 0.4 -5 11 -4 -0.1 0.8 6 -11 4 32.3 1.9 -6 11 -4 30.7 2.3 7 -11 4 2 0.6 -7 11 -4 -0.1 0.8 8 -11 4 0.9 0.5 8 -12 -4 -0.1 0.3 7 -12 -4 -0.4 0.4 -7 12 4 -0.5 1 6 -12 -4 1.5 0.6 -6 12 4 3 1 -5 12 4 21.6 2.1 -4 12 4 32.5 2.5 -3 12 4 91.89 6.1 3 12 -4 84.29 4 2 12 -4 7.7 1.3 -2 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0 15 -4 0.8 0.8 0 15 4 1.3 0.7 -1 15 -4 1.2 0.8 1 15 4 3.3 0.8 2 15 4 0.9 0.6 -2 15 -4 1.2 0.8 -3 15 -4 2.3 0.8 -12 0 5 0.1 0.3 -11 0 5 2.5 0.6 10 0 -5 0.7 0.5 10 0 -5 -0.5 7.7 -10 0 5 -0.1 0.4 -9 0 5 57.49 3.1 -9 0 5 59.09 2.9 9 0 -5 59.09 4 9 0 -5 55.39 7 9 0 -5 53.39 2.8 9 0 -5 60.99 3.2 -8 0 5 0.3 0.5 8 0 -5 -0.3 0.6 8 0 -5 -0.3 0.5 8 0 -5 -1 1 -8 0 5 0.5 0.5 8 0 -5 -2.3 3.6 7 0 -5 11.1 3.1 7 0 -5 13.2 1.9 -7 0 5 14.3 1.3 7 0 -5 11.6 1.2 7 0 -5 12.5 1.3 -7 0 5 11.7 1.2 6 0 -5 0.8 2.1 6 0 -5 0.2 0.6 6 0 -5 -0.4 0.4 -6 0 5 0 0.4 -6 0 5 -0.1 0.3 6 0 -5 0.2 0.4 5 0 -5 127.59 5.4 -5 0 5 108.39 4.4 5 0 -5 110.09 4.4 5 0 -5 113.39 5.9 4 0 -5 -0.2 0.3 -4 0 5 0.6 0.6 -4 0 5 0 0.3 -4 0 5 -1.9 1.7 3 0 -5 39 1.8 -3 0 5 40.2 1.7 -3 0 5 39.9 2.2 -3 0 5 40.1 3.1 -2 0 5 0.5 0.5 -2 0 5 -1.7 1.1 -2 0 5 -0.1 0.2 2 0 -5 0.1 0.3 -1 0 5 3286.97 108.69 0 0 5 0 0.8 0 0 -5 0.4 0.3 0 0 5 0.4 0.4 0 0 5 -0.1 0.2 1 0 5 1.3 0.3 1 0 5 1.2 0.9 1 0 5 1.7 0.6 -1 0 -5 1 0.3 2 0 5 -0.1 0.2 -2 0 -5 0.2 0.3 2 0 5 -0.9 0.9 2 0 5 -0.3 0.3 3 0 5 100.49 4.6 -3 0 -5 95.59 3.8 3 0 5 97.09 4 3 0 5 102.09 3.7 4 0 5 0.3 1.1 4 0 5 0.5 0.4 4 0 5 0.5 0.5 5 0 5 0.6 1.5 5 0 5 4.2 0.6 -5 0 -5 4.3 0.7 5 0 5 4.2 1.4 -6 0 -5 0.1 0.7 6 0 5 0.1 0.4 6 0 5 0 0.5 -6 0 -5 -0.2 0.4 6 0 5 0 0.4 6 0 5 0.1 1.8 -7 0 -5 7.2 0.9 7 0 5 8.9 2.9 -7 0 -5 5.2 0.9 7 0 5 8.5 1 8 0 5 -0.5 0.4 -8 0 -5 0 0.4 8 0 5 -0.4 0.6 8 0 5 1 3 -8 0 -5 -0.5 0.5 8 0 5 0.2 0.8 9 0 5 39.9 3.4 9 0 5 31.9 1.8 -9 0 -5 32.6 2 9 0 5 25.7 4.8 -9 0 -5 29.1 2.2 10 0 5 5.3 5.4 -11 0 -5 0.8 0.4 -12 0 -5 -0.1 0.3 -12 -1 5 10.9 0.8 -12 1 5 11 0.8 -11 -1 5 7.1 0.8 11 -1 -5 8.3 0.8 -11 1 5 7.3 0.9 10 -1 -5 1.9 0.6 10 -1 -5 -5.5 9.2 -10 -1 5 0.9 0.5 10 1 -5 0.1 0.4 -10 1 5 2 0.6 10 1 -5 15.1 8 9 -1 -5 63.49 5.4 9 -1 -5 49.5 8.7 9 -1 -5 50.99 2.7 -9 -1 5 51.79 2.7 -9 -1 5 50.89 2.8 9 -1 -5 46.2 2.8 9 1 -5 52.39 2.6 -9 1 5 48.5 2.8 9 1 -5 49 3.5 9 1 -5 45.2 8.2 -9 1 5 50.49 2.6 8 -1 -5 30.2 2.1 8 -1 -5 36.4 2.2 -8 -1 5 37.2 2 -8 -1 5 33.8 2.1 8 -1 -5 31.1 5.4 8 -1 -5 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36.1 2.1 -8 -3 7 31.1 2.1 -8 3 7 36.1 2.2 8 3 -7 32.2 4.2 -8 3 7 30.9 1.9 8 3 -7 31.8 2.6 7 -3 -7 15.5 1.6 7 -3 -7 14.8 1.5 -7 -3 7 20.3 1.8 -7 -3 7 15.4 1.5 7 3 -7 14.7 1.3 7 3 -7 11.8 3 7 3 -7 16.4 2 -7 3 7 16.7 1.4 -6 -3 7 0.9 0.5 6 -3 -7 1.6 0.7 6 -3 -7 0.9 0.6 -6 -3 7 0.6 0.5 -6 3 7 0.9 0.5 6 3 -7 2.2 2 6 3 -7 1 0.6 5 -3 -7 130.19 5.5 5 -3 -7 151.98 6 -5 -3 7 143.39 5.4 -5 -3 7 137.39 5.4 5 3 -7 141.69 5.3 -5 3 7 134.79 5.3 -5 3 7 132.79 5.2 4 -3 -7 106.29 4.3 -4 -3 7 110.89 4.2 -4 3 7 106.59 4.1 -4 3 7 103.39 4.8 -4 3 7 105.09 5.7 4 3 -7 113.89 4.3 -3 -3 7 400.66 16.6 -3 -3 7 426.36 14.4 3 -3 -7 423.16 14.5 -3 3 7 423.66 15.6 3 3 -7 428.76 14.5 -3 3 7 433.96 14.3 -3 3 7 407.16 15.3 2 -3 -7 29.2 1.5 -2 -3 7 25.3 3.8 -2 -3 7 31 1.5 -2 3 7 28.3 1.8 -2 3 7 28.5 1.5 2 3 -7 27.3 1.5 -2 3 7 28.6 2.5 -1 -3 7 45.1 1.9 -1 -3 7 37.9 2.4 -1 -3 7 44.5 4.3 1 -3 -7 43.4 1.9 1 3 -7 46.1 2 -1 3 7 44.1 1.8 -1 3 7 41 2.7 -1 3 7 42.1 2.2 0 -3 7 9.9 0.8 0 -3 7 10.4 2.5 0 -3 7 10.8 1.3 0 -3 -7 8.8 0.8 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6.2 6 4 7 4.3 1.7 -6 4 -7 4.1 0.9 -6 4 -7 3.7 1.2 6 4 7 5.3 1 -6 4 -7 3.7 0.7 -7 -4 -7 207.28 7.9 7 -4 7 213.18 8.1 -7 -4 -7 218.78 8.5 -7 4 -7 201.68 8.2 -7 4 -7 214.68 7.8 7 4 7 209.78 8.3 7 4 7 215.88 9.3 8 -4 7 15 1.6 -8 -4 -7 17.4 1.7 8 -4 7 11.6 1.3 -8 -4 -7 13.4 1.3 8 4 7 13.5 1.6 8 4 7 10.9 2.7 -8 4 -7 12.7 1.2 -8 4 -7 17.6 1.9 -9 -4 -7 16.8 1.3 9 -4 7 16.8 1.4 -9 4 -7 14.8 1.2 10 -4 7 3.6 0.7 -10 -4 -7 3.5 0.7 -10 4 -7 3.6 0.7 11 -4 7 7.2 0.7 -11 -4 -7 6.1 0.7 -11 -5 7 42.1 1.9 11 -5 -7 40.5 1.9 10 -5 -7 12.5 1.2 -10 -5 7 11.2 1.1 -9 -5 7 4.2 0.8 9 -5 -7 2.8 0.8 8 -5 -7 4.4 1 -8 -5 7 2.5 0.8 -8 -5 7 3.3 0.7 8 -5 -7 3.2 0.9 -8 5 7 5.5 0.7 8 5 -7 6 2.9 8 5 -7 3.9 1.1 -7 -5 7 31.9 2 -7 -5 7 32 2 7 -5 -7 30.6 2.2 7 -5 -7 34 2.2 7 5 -7 34.9 4.3 -7 5 7 31.6 1.7 7 5 -7 37.7 3.3 -6 -5 7 94.99 3.9 6 -5 -7 91.79 4 6 -5 -7 92.59 4.1 -6 -5 7 89.39 3.9 -6 5 7 89.99 3.6 6 5 -7 96.69 5.6 6 5 -7 91.19 4.4 -6 5 7 76.39 4.5 -5 -5 7 0.3 0.4 5 -5 -7 0.1 0.5 5 -5 -7 0.7 0.5 -5 -5 7 0.6 0.5 -5 5 7 0.5 0.5 4 -5 -7 0.5 0.5 4 -5 -7 0.9 0.6 -4 -5 7 0.6 0.4 -4 5 7 0.7 0.7 -4 5 7 1.4 0.4 -3 -5 7 183.38 6.4 3 -5 -7 181.18 6.5 -3 5 7 159.78 6.2 3 5 -7 175.88 6.3 2 -5 -7 222.28 8 -2 -5 7 226.28 7.9 -2 5 7 218.38 8.3 -2 5 7 231.98 8.9 2 5 -7 222.78 7.9 1 -5 -7 70.89 2.8 -1 -5 7 64.69 2.8 1 5 -7 65.69 2.8 -1 5 7 68.89 3 -1 5 7 73.19 3.5 0 -5 7 10.1 0.9 0 -5 -7 11.1 0.8 0 5 7 12 1 0 5 7 10.3 1.4 0 5 -7 9.3 0.9 1 -5 7 19.1 1.2 -1 -5 -7 17.8 1.1 1 5 7 18 1.7 1 5 7 17.7 1.2 -1 5 -7 19.3 1.2 -2 -5 -7 27.2 1.4 2 -5 7 28.8 1.6 2 5 7 26.5 1.5 2 5 7 26.2 2 -2 5 -7 29.1 1.9 3 -5 7 182.48 6.8 -3 -5 -7 179.78 6.6 -3 5 -7 168.58 7.9 -3 5 -7 184.98 6.8 3 5 7 186.88 6.7 3 5 7 185.88 7.1 4 -5 7 73.39 3.4 4 -5 7 72.49 3.4 -4 5 -7 75.89 3.2 -4 5 -7 77.39 3.4 -4 5 -7 74.89 4.4 4 5 7 82.79 3.9 4 5 7 77.09 3.3 -5 -5 -7 58.59 2.8 -5 -5 -7 59.09 3.1 5 -5 7 63.19 3 5 -5 7 60.59 2.9 -5 5 -7 57.29 3.4 5 5 7 59.99 2.8 5 5 7 61.39 3.6 -5 5 -7 58.19 2.7 -6 -5 -7 5.6 0.9 6 -5 7 3.7 0.8 -6 -5 -7 4.2 0.7 6 -5 7 4.6 1 6 5 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0.9 -7 -4 8 6.4 0.9 7 -4 -8 4 1 -7 -4 8 5.2 0.9 7 4 -8 6.2 1.3 7 4 -8 3 2.6 -7 4 8 5.3 0.9 -7 4 8 5 0.7 6 -4 -8 234.78 8.7 -6 -4 8 232.18 8.5 6 -4 -8 234.08 8.8 -6 -4 8 232.68 8.5 -6 4 8 222.78 8.3 -6 4 8 220.48 8.4 6 4 -8 235.28 10.4 6 4 -8 224.68 9.2 -5 -4 8 6.3 0.9 -5 -4 8 8.4 1 5 -4 -8 7.1 1 5 -4 -8 8.2 1.1 -5 4 8 7.8 1 -5 4 8 7.4 1.2 -5 4 8 8.8 1.1 5 4 -8 7.6 1 -4 -4 8 22.1 1.4 4 -4 -8 21.7 1.5 4 -4 -8 19.4 1.4 -4 -4 8 21.1 1.4 -4 4 8 21.8 1.3 4 4 -8 20.1 1.4 3 -4 -8 55.39 2.5 -3 -4 8 53.89 2.4 -3 4 8 54.79 3.8 -3 4 8 56.59 3 -3 4 8 53.29 2.3 3 4 -8 43 3 -2 -4 8 333.17 11.3 2 -4 -8 319.57 11.3 -2 4 8 317.87 11.1 -2 4 8 317.17 11.7 2 4 -8 332.47 11.4 -2 4 8 322.77 12.3 1 -4 -8 14.9 1.1 -1 -4 8 15.6 1.1 -1 4 8 17.1 2.1 -1 4 8 16.1 1.4 1 4 -8 15.9 1.1 0 -4 8 0.5 0.4 0 -4 8 1.1 3.8 0 -4 -8 0.8 0.4 0 4 8 0.5 0.3 0 4 -8 0.2 0.5 0 4 8 0.7 1.1 0 4 8 0.8 0.5 1 -4 8 110.39 7.4 -1 -4 -8 115.59 4.3 1 -4 8 111.69 4.4 1 4 8 115.69 5 1 4 8 113.69 4.6 -1 4 -8 108.79 4.4 2 -4 8 109.99 4.5 2 -4 8 97.99 7.7 -2 -4 -8 115.39 4.5 -2 4 -8 113.69 4.6 2 4 8 118.59 4.7 2 4 8 128.79 5.2 3 -4 8 32.6 1.8 3 -4 8 34 1.9 3 -4 8 20.4 4.5 -3 -4 -8 33 1.8 3 4 8 36.3 2 -3 4 -8 36.3 3.8 3 4 8 36.4 2.7 -3 4 -8 32.9 1.9 4 -4 8 137.79 5.4 -4 -4 -8 134.99 5.4 4 -4 8 123.39 9.3 4 -4 8 134.59 5.4 -4 4 -8 141.59 5.3 4 4 8 137.49 6.2 -4 4 -8 137.29 5.5 4 4 8 140.09 5.5 -4 4 -8 139.09 6.6 5 -4 8 1.9 0.6 5 -4 8 5.2 5.2 -5 -4 -8 2.4 0.7 5 -4 8 1.8 0.6 -5 -4 -8 5 0.7 -5 4 -8 2.2 0.6 -5 4 -8 1.4 0.6 -5 4 -8 1.5 1.1 5 4 8 3.7 0.8 5 4 8 3.6 1.6 -6 -4 -8 59.59 2.8 6 -4 8 61.99 3 -6 -4 -8 59.69 3 -6 4 -8 59.69 2.8 6 4 8 59.79 4.4 6 4 8 59.19 3.1 -6 4 -8 58.39 3.1 7 -4 8 1.2 0.7 -7 -4 -8 0.7 0.7 7 -4 8 1 0.7 -7 -4 -8 0.7 0.6 -7 4 -8 2.4 0.9 -7 4 -8 0.6 0.6 7 4 8 1.9 0.8 7 4 8 0.9 2.2 -8 -4 -8 4.5 1.4 8 -4 8 3.1 0.8 8 -4 8 4.7 1.1 8 4 8 3.8 0.9 -8 4 -8 3 1.1 -8 4 -8 3.8 1.2 8 4 8 4 2.5 9 -4 8 0.7 0.5 -9 -4 -8 0.2 0.4 -9 4 -8 0.7 0.5 9 4 8 2.3 5.1 -10 -4 -8 0.2 0.4 10 -4 8 0.7 0.4 -10 4 -8 0.3 0.4 -11 -4 -8 -0.3 0.3 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73.79 3.6 2 5 8 71.39 3.1 -3 -5 -8 35.6 1.9 3 -5 8 35.6 2 3 5 8 36.4 2.6 -3 5 -8 35.7 1.8 3 5 8 35.8 1.9 -3 5 -8 35.5 2 -4 -5 -8 22 1.5 4 -5 8 21.1 1.6 -4 -5 -8 21.4 2 4 -5 8 20.4 1.5 -4 5 -8 22.5 1.4 4 5 8 24 1.5 -4 5 -8 22.3 1.6 4 5 8 21.3 2.4 -4 5 -8 27 2.4 5 -5 8 126.99 5.4 5 -5 8 134.19 5.4 -5 -5 -8 124.89 5.1 -5 -5 -8 134.49 5.3 5 5 8 137.29 5.3 -5 5 -8 125.79 5.4 -5 5 -8 134.59 5.1 -5 5 -8 127.39 5.8 5 5 8 133.99 5.9 6 -5 8 1.7 0.7 6 -5 8 0.2 0.7 -6 -5 -8 0.3 0.5 -6 -5 -8 0.8 0.6 -6 5 -8 0.7 0.5 6 5 8 3 1.7 -6 5 -8 0.1 0.7 -6 5 -8 1.1 1.1 6 5 8 -0.1 0.5 -7 -5 -8 34.6 2.2 7 -5 8 37.8 2.2 7 -5 8 35 2.3 -7 -5 -8 31.8 1.9 -7 5 -8 34.3 2.4 7 5 8 33.1 2 -7 5 -8 33.7 1.9 8 -5 8 7.2 1 -8 -5 -8 8.2 0.9 -8 -5 -8 8.3 1.2 8 -5 8 7.9 1.7 8 5 8 9.2 1 8 5 8 5.9 2.1 -8 5 -8 8.9 1 -9 -5 -8 -0.4 0.4 9 -5 8 -0.3 0.4 -9 5 -8 -0.1 0.4 -10 -5 -8 5.6 0.7 10 -5 8 6.1 0.7 -10 5 -8 5.2 0.6 10 -6 -8 0.4 0.5 -10 -6 8 0.8 0.4 9 -6 -8 11 1.2 -9 -6 8 14.5 1.2 8 -6 -8 -0.7 0.8 -8 -6 8 -0.3 0.4 8 -6 -8 0.3 0.6 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3 -9 0.3 0.5 -5 3 9 0.2 0.4 -5 3 9 0.3 0.4 5 3 -9 0.4 0.5 -4 -3 9 59.09 2.8 -4 -3 9 57.19 2.7 4 -3 -9 58.89 2.8 4 -3 -9 60.39 3 -4 3 9 61.39 2.6 -4 3 9 53.59 3.3 4 3 -9 55.59 2.7 4 3 -9 59.79 2.8 -4 3 9 59.69 2.6 -4 3 9 51.09 4.6 -3 -3 9 73.49 3.3 -3 -3 9 75.69 3.2 3 -3 -9 78.69 3.3 3 3 -9 74.29 3.3 -3 3 9 73.99 3.1 -3 3 9 73.39 3.8 -3 3 9 73.29 4.7 -2 -3 9 32.3 1.7 -2 -3 9 33.5 4.7 2 -3 -9 33 1.8 2 3 -9 30.8 1.8 -2 3 9 29.5 3.1 -2 3 9 29.6 2.1 1 -3 -9 59.89 2.6 -1 -3 9 58.39 2.6 1 3 -9 56.59 2.6 -1 3 9 57.19 2.4 -1 3 9 62.19 3.8 -1 3 9 55.99 3 0 -3 -9 54.09 2.4 0 -3 9 50.79 2.4 0 -3 9 50.99 5.3 0 3 9 59.19 3.5 0 3 9 54.49 2.8 0 3 -9 49.7 2.5 0 3 9 54.79 2.3 1 -3 9 102.09 4.1 1 -3 9 103.69 6.5 -1 -3 -9 102.99 4.1 1 3 9 98.09 4.3 1 3 9 104.89 3.9 -1 3 -9 101.79 4.2 1 3 9 107.09 5.1 2 -3 9 137.89 5.2 2 -3 9 125.79 5.8 -2 -3 -9 134.19 5.1 2 -3 9 136.59 7.6 -2 3 -9 132.89 5.2 2 3 9 133.19 6 2 3 9 131.49 5.4 2 3 9 130.19 4.9 3 -3 9 53.19 5.6 3 -3 9 39.7 2.2 3 -3 9 43 2.2 -3 -3 -9 46.2 2.3 3 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0.8 6 6 -10 3.2 2.7 -5 -6 10 27.4 1.8 -5 -6 10 29.1 1.8 5 -6 -10 27.4 2 5 -6 -10 26 1.9 -5 6 10 27.1 2.1 4 -6 -10 21.7 2.5 -4 -6 10 17.8 1.4 -4 -6 10 18.5 1.7 4 -6 -10 17 1.5 -4 6 10 14.6 1.9 -3 -6 10 1.4 0.6 3 -6 -10 3 0.8 -3 -6 10 1.1 0.6 3 -6 -10 1.4 0.7 -3 6 10 1 0.9 2 -6 -10 4.6 0.8 2 -6 -10 5.1 0.9 -2 -6 10 7.4 1 -2 -6 10 4.9 0.8 2 6 -10 5.7 1.3 -1 -6 10 2.7 0.6 1 -6 -10 2.3 0.7 -1 -6 10 2.9 0.7 -1 6 10 4 1.7 -1 6 10 3.3 0.8 1 6 -10 4.6 1.4 0 -6 10 72.79 3.2 0 -6 -10 66.99 3.2 0 -6 10 69.49 3.2 0 -6 -10 75.29 3.2 0 6 -10 66.29 3.8 0 6 10 70.59 3.2 -1 -6 -10 8.9 1.1 1 -6 10 5.5 0.9 1 -6 10 6.5 0.9 -1 -6 -10 5 0.8 -1 6 -10 6.1 1.2 -1 6 -10 5.5 1.6 -1 6 -10 6.9 0.9 1 6 10 8.3 1 1 6 10 6.8 1.6 -2 -6 -10 1.5 0.7 2 -6 10 0.3 0.5 2 -6 10 1.1 0.6 -2 -6 -10 2 0.6 2 6 10 1.3 0.6 -2 6 -10 0.6 0.5 2 6 10 1.1 1.3 -2 6 -10 0.5 0.7 -2 6 -10 1.8 1.3 3 -6 10 42.8 2.4 -3 -6 -10 41.1 2.3 3 -6 10 45.5 2.8 -3 6 -10 39.5 2.4 -3 6 -10 44.4 2.1 3 6 10 38.2 2.9 3 6 10 42.6 2.1 -4 -6 -10 26 1.8 -4 -6 -10 28.9 1.9 4 -6 10 29.2 1.9 4 6 10 25.4 1.5 4 6 10 25.7 2.5 -4 6 -10 28.9 2.7 -4 6 -10 27.8 1.6 5 -6 10 22.5 1.7 -5 -6 -10 21.6 1.5 -5 -6 -10 21.6 1.6 5 -6 10 22.2 1.8 -5 6 -10 20.1 2.2 -5 6 -10 22.3 1.5 6 -6 10 8.6 1.1 -6 -6 -10 8.3 1 6 -6 10 8 1.2 -6 -6 -10 8.9 1.2 -6 6 -10 7 0.9 7 -6 10 26.6 1.8 -7 -6 -10 27.3 1.6 -7 6 -10 25.6 1.5 8 -6 10 47.3 2.3 -8 -6 -10 42.6 2.6 -8 6 -10 40 1.8 -9 -6 -10 6.1 0.7 9 -6 10 5.7 0.7 9 -7 -10 5.5 0.8 -9 -7 10 5.8 0.7 8 -7 -10 6.9 1 -8 -7 10 7.6 0.9 7 -7 -10 2.9 0.8 -7 -7 10 2.9 0.7 -6 -7 10 0.1 0.6 6 -7 -10 0.4 0.7 6 -7 -10 -0.9 0.5 -6 -7 10 0 0.6 6 7 -10 1.4 2.5 6 7 -10 -0.1 0.6 -6 7 10 -0.3 0.9 -5 -7 10 2.5 0.7 -5 -7 10 1.9 0.6 5 -7 -10 1.9 0.7 5 -7 -10 1.7 0.7 -5 7 10 2.2 0.9 5 7 -10 2.4 0.9 4 -7 -10 22.6 1.8 -4 -7 10 22.4 1.6 4 -7 -10 21.4 1.7 -4 -7 10 22.5 1.6 -4 7 10 24.3 2.2 -3 -7 10 0.5 0.5 3 -7 -10 -0.1 0.6 3 -7 -10 0.1 0.8 -3 -7 10 0 0.5 -3 7 10 1.4 0.9 2 -7 -10 21.8 1.6 2 -7 -10 23.1 1.7 -2 -7 10 19.3 1.5 -2 -7 10 21.4 1.5 2 7 -10 20.1 2.1 1 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-18 1.9 0.6 5 2 -18 0.7 0.6 -5 2 18 1 0.6 -4 -2 18 0.9 0.5 4 -2 -18 1.1 0.5 4 2 -18 0.5 0.4 3 -2 -18 5 0.9 -3 -2 18 4.2 0.7 3 2 -18 4.6 0.8 -2 -2 18 4.9 0.7 2 -2 -18 5.4 0.9 2 2 -18 5.4 0.9 1 -2 -18 2.2 0.8 -1 -2 18 2.3 0.6 1 2 -18 2.9 0.7 0 -2 18 11.7 1.1 0 -2 -18 12.3 1.3 0 2 -18 12 1.2 -1 -2 -18 -0.1 0.5 1 -2 18 0.2 0.4 -1 2 -18 0.2 0.5 -2 -2 -18 3 0.7 2 -2 18 3.3 0.6 -2 2 -18 3.7 0.7 3 -2 18 49.99 2.2 -3 -2 -18 54.89 2.6 -3 2 -18 52.59 2.5 -4 -2 -18 2.5 0.7 -4 2 -18 2.2 0.6 -5 -2 -18 2.6 0.6 -5 2 -18 1.7 0.5 -6 -3 18 1.6 0.4 6 -3 -18 0.9 0.5 5 -3 -18 6.2 0.8 -5 -3 18 4.6 0.6 -5 3 18 6.5 0.8 4 -3 -18 22.2 1.6 -4 -3 18 21 1.5 -4 3 18 20.3 1.6 3 -3 -18 3 0.8 -3 -3 18 4 0.6 3 3 -18 4.5 0.7 -2 -3 18 8.8 1 2 -3 -18 6.8 1 2 3 -18 9.7 1 1 -3 -18 2.2 0.7 -1 -3 18 1.1 0.5 1 3 -18 1.5 0.6 0 -3 -18 6.4 1.1 0 -3 18 5 0.7 0 3 -18 5.4 0.8 1 -3 18 7.3 0.9 -1 -3 -18 7 1 -1 3 -18 8.9 1 2 -3 18 4.4 0.7 -2 -3 -18 5.7 0.9 -2 3 -18 4.3 0.8 3 -3 18 7.3 0.7 -3 -3 -18 5.8 0.9 -3 3 -18 5.5 0.8 4 -3 18 9.9 0.7 -4 -3 -18 8.6 1 -4 3 -18 11.1 1 -5 -3 -18 2.3 0.5 -5 3 -18 1.9 0.5 6 -4 -18 1.6 0.5 -5 -4 18 0.8 0.4 5 -4 -18 0.2 0.4 -5 4 18 -0.5 0.5 -4 -4 18 -0.2 0.3 4 -4 -18 -0.1 0.5 -4 4 18 -0.1 0.5 -3 -4 18 0 0.4 3 -4 -18 -0.3 0.4 -3 4 18 0.2 0.8 2 -4 -18 0.3 0.5 -2 -4 18 0.4 0.4 2 4 -18 0.3 0.4 1 -4 -18 12.8 1.3 -1 -4 18 17.1 1.2 1 4 -18 15 1.1 0 -4 18 0.8 0.4 0 -4 -18 0 0.5 0 4 -18 -0.7 0.4 -1 -4 -18 3 0.8 1 -4 18 3.3 0.6 -1 4 -18 3 0.6 -2 -4 -18 -0.5 0.4 2 -4 18 -0.1 0.4 -2 4 -18 0.6 0.4 -3 -4 -18 5.1 0.8 3 -4 18 4.3 0.6 -3 4 -18 5.5 0.7 -4 -4 -18 0.5 0.4 4 -4 18 0.6 0.3 4 4 18 -0.3 0.4 -4 4 -18 0.6 0.4 -5 -4 -18 0 0.3 -5 -5 18 0.1 0.3 5 -5 -18 0.7 0.4 -4 -5 18 -0.1 0.3 4 -5 -18 -0.1 0.4 -4 5 18 0.5 0.6 -3 -5 18 1.2 0.5 3 -5 -18 1.2 0.6 -3 5 18 0.9 0.6 2 -5 -18 0.2 0.5 -2 -5 18 0.6 0.4 -2 5 18 0.5 0.6 -1 -5 18 1.7 0.5 1 -5 -18 3.5 0.7 0 -5 18 10.9 1 0 -5 -18 11.8 1.1 -1 -5 -18 0.2 0.6 1 -5 18 0.5 0.4 -2 -5 -18 2.5 0.7 2 -5 18 1.3 0.5 -3 -5 -18 1 0.5 3 -5 18 1.1 0.4 3 5 18 1.9 0.7 4 -5 18 8.2 0.7 -4 -5 -18 6.8 0.8 4 5 18 6.4 0.8 4 -6 -18 1 0.5 -4 -6 18 2.2 0.5 -4 6 18 1.8 0.8 3 -6 -18 0.2 0.4 -3 -6 18 0.4 0.4 -3 6 18 0.4 0.5 -2 -6 18 7.3 0.8 2 -6 -18 6.6 0.9 -2 6 18 6.3 1 -1 -6 18 2 0.6 1 -6 -18 1.3 0.5 -1 6 18 4 1.1 0 -6 18 0.8 0.5 0 -6 -18 -0.1 0.4 0 6 18 1.1 0.8 -1 -6 -18 3.7 0.7 1 -6 18 2.1 0.5 1 6 18 3.2 0.9 -2 -6 -18 9.9 1 2 -6 18 7.1 0.8 2 6 18 8 1.1 -3 -6 -18 0.7 0.4 3 -6 18 0.2 0.3 3 6 18 -0.5 0.4 -4 -6 -18 0.9 0.4 -3 -7 18 0.2 0.3 3 -7 -18 0.4 0.4 -3 7 18 0.3 0.5 -2 -7 18 6.9 0.7 2 -7 -18 8.2 0.9 -2 7 18 8.5 1 -1 -7 18 6.9 0.7 1 -7 -18 6.2 0.8 -1 7 18 5.7 1 0 -7 18 0.1 0.3 0 -7 -18 -0.1 0.4 0 7 18 -0.1 0.5 -1 -7 -18 -0.5 0.3 1 -7 18 -0.2 0.3 1 7 18 0 0.5 -2 -7 -18 -0.4 0.3 2 -7 18 -0.4 0.3 2 7 18 1 0.6 -3 -7 -18 12 0.9 1 -8 -18 0.1 0.3 -1 -8 18 0.1 0.3 -1 8 18 0 0.5 0 -8 -18 0.3 0.3 0 -8 18 0.7 0.4 0 8 18 0.5 0.5 1 -8 18 4.8 0.6 1 8 18 4.6 0.8 5 0 -19 18.7 1.1 4 0 -19 -0.3 0.4 3 0 -19 -0.6 0.4 -2 0 19 0 0.5 2 0 -19 0.2 0.5 1 0 -19 15 1.4 0 0 -19 0.1 0.5 -1 0 -19 0.6 0.6 -2 0 -19 0 0.5 -3 0 -19 54.69 2.6 -4 0 -19 0.4 0.4 -5 -1 19 1.5 0.4 5 -1 -19 0.8 0.4 5 1 -19 1.7 0.4 4 -1 -19 26.5 1.5 -4 -1 19 24 1.2 -4 1 19 26.6 1.6 4 1 -19 23.4 1.4 3 -1 -19 1.4 0.9 -3 -1 19 0.2 0.3 3 1 -19 1 0.5 -2 -1 19 0.2 0.3 2 -1 -19 0.4 0.5 2 1 -19 0.9 0.6 -1 -1 19 0.3 0.3 1 -1 -19 0.1 0.5 1 1 -19 -0.3 0.4 0 -1 19 1.4 0.4 0 -1 -19 2.6 0.7 0 1 -19 2 0.6 -1 -1 -19 0.1 0.5 1 -1 19 0.5 0.3 -1 1 -19 0.5 0.5 -2 -1 -19 5.8 0.9 -3 -1 -19 0.5 0.5 -3 1 -19 1 0.5 -4 -1 -19 0 0.4 -4 1 -19 0.3 0.4 5 -2 -19 5.8 0.7 -5 -2 19 6.8 0.6 -4 -2 19 0.1 0.3 4 -2 -19 0.1 0.4 -4 2 19 -0.1 0.5 4 2 -19 -0.4 0.3 3 -2 -19 0.2 0.5 -3 -2 19 0.5 0.3 3 2 -19 0.2 0.4 -2 -2 19 7.5 0.8 2 -2 -19 8.8 1.1 2 2 -19 6.7 0.8 1 -2 -19 1 0.5 -1 -2 19 0.7 0.4 1 2 -19 1.2 0.7 0 -2 -19 0.1 0.5 0 -2 19 0 0.3 0 2 -19 1 0.6 1 -2 19 1.1 0.4 -1 -2 -19 1.6 0.6 -1 2 -19 1.1 0.7 -2 -2 -19 2.5 0.7 2 -2 19 0.9 0.4 -2 2 -19 2.3 0.6 -3 -2 -19 9.7 1 -3 2 -19 10.5 1 -4 -2 -19 2.4 0.5 -4 2 -19 1.1 0.4 5 -3 -19 5.7 0.7 -5 -3 19 4.6 0.7 -4 -3 19 2 0.4 4 -3 -19 2.6 0.6 -3 -3 19 0.4 0.3 3 -3 -19 0.7 0.5 -3 3 19 0 0.5 -2 -3 19 0.3 0.3 2 3 -19 0.2 0.4 -1 -3 19 0.3 0.3 1 -3 -19 0.2 0.5 1 3 -19 0 0.4 0 -3 -19 0.4 0.5 0 -3 19 0.5 0.4 0 3 -19 0.6 0.5 1 -3 19 0.1 0.3 -1 3 -19 0.1 0.4 2 -3 19 0.1 0.3 -2 -3 -19 -0.2 0.4 -2 3 -19 -0.1 0.4 3 -3 19 9.6 0.6 -3 -3 -19 9 0.9 -3 3 -19 10.6 0.8 -4 -3 -19 5.7 0.7 4 3 19 4.5 0.7 -4 3 -19 4.4 0.5 -4 -4 19 0.3 0.3 4 -4 -19 0.1 0.4 -4 4 19 1 0.5 3 -4 -19 -0.2 0.4 -3 -4 19 0.1 0.3 -3 4 19 -0.6 0.4 -2 -4 19 0.8 0.4 2 -4 -19 0.7 0.5 -2 4 19 1.3 0.7 1 -4 -19 0 0.4 -1 -4 19 0.6 0.4 0 -4 19 1.9 0.5 0 -4 -19 1.3 0.5 1 -4 19 11.1 0.9 -1 -4 -19 11.1 1.1 -1 4 -19 9.4 0.8 2 -4 19 3.9 0.6 -2 -4 -19 5 0.8 -2 4 -19 4.6 0.6 -3 -4 -19 1.5 0.5 3 -4 19 0.6 0.3 3 4 19 0.7 0.5 4 -5 -19 4 0.6 3 -5 -19 1.1 0.5 -3 -5 19 1 0.4 -3 5 19 0.5 0.5 2 -5 -19 2.2 0.6 -2 -5 19 2.4 0.5 -2 5 19 3.1 0.8 -1 -5 19 0.1 0.3 1 -5 -19 0.4 0.5 -1 5 19 0.7 0.5 0 -5 19 5 0.7 0 -5 -19 4.6 0.7 0 5 19 5 0.9 1 -5 19 -0.1 0.3 -1 -5 -19 0.2 0.4 1 5 19 -0.3 0.5 -2 -5 -19 18.9 1.2 2 -5 19 19 1.1 2 5 19 18.2 1.4 3 -5 19 4.8 0.5 -3 -5 -19 4.2 0.7 3 5 19 4.9 0.8 2 -6 -19 0.4 0.4 -2 -6 19 0.2 0.3 -2 6 19 0.7 0.5 -1 -6 19 -0.2 0.3 1 -6 -19 0 0.4 -1 6 19 -0.6 0.4 0 -6 -19 -0.4 0.3 0 -6 19 0.4 0.3 0 6 19 0.4 0.5 1 -6 19 7.1 0.7 -1 -6 -19 6.1 0.8 1 6 19 7 1 2 -6 19 2.2 0.4 -2 -6 -19 2.8 0.5 4 0 -20 0.5 0.3 3 0 -20 -0.1 0.3 2 0 -20 -0.1 0.4 1 0 -20 -0.1 0.4 0 0 -20 0.4 0.4 -1 0 -20 0.5 0.4 -2 0 -20 0.7 0.5 -3 0 -20 -0.7 0.3 4 -1 -20 6.8 0.8 3 -1 -20 4.7 0.7 3 1 -20 5.3 0.7 2 -1 -20 6.8 0.9 2 1 -20 7.8 0.8 1 -1 -20 1.1 0.5 1 1 -20 0.6 0.5 0 -1 -20 5 0.7 0 1 -20 5.3 0.7 -1 -1 -20 0.2 0.4 -1 1 -20 0.3 0.4 -2 -1 -20 12.9 1 -2 1 -20 9.1 0.9 -3 -1 -20 18.2 1.2 -3 1 -20 18.2 1.1 -3 -2 20 0.4 0.3 3 -2 -20 0.4 0.4 -3 2 20 -0.3 0.6 -2 -2 20 -0.3 0.2 2 -2 -20 0.1 0.4 2 2 -20 0 0.3 -1 -2 20 1 0.3 1 -2 -20 0 0.4 1 2 -20 0 0.3 0 -2 20 0.9 0.3 0 -2 -20 0.4 0.4 0 2 -20 0.7 0.4 -1 -2 -20 0.3 0.4 -1 2 -20 -0.2 0.3 -2 -2 -20 6.1 0.8 -2 2 -20 4.5 0.6 3 -3 -20 11.8 0.9 -3 -3 20 11.6 0.7 -3 3 20 9.1 1 2 -3 -20 -0.2 0.4 -2 -3 20 0.2 0.3 -2 3 20 0.3 0.5 1 -3 -20 1.7 0.5 -1 -3 20 0.7 0.4 0 -3 20 0.1 0.3 0 -3 -20 -0.2 0.4 0 3 -20 0 0.3 -1 -3 -20 0.1 0.4 1 -3 20 -0.1 0.2 -1 3 -20 0.3 0.3 -2 -3 -20 2.1 0.5 -2 3 -20 2.7 0.7 2 -4 -20 0.2 0.4 -2 4 20 1.2 0.5 -1 -4 20 0.3 0.3 1 -4 -20 -0.2 0.3 -1 4 20 -0.1 0.4 0 -4 -20 0.3 0.4 0 -4 20 -0.1 0.3 0 4 20 0 0.5 1 -4 20 -0.2 0.2 -1 -4 -20 -0.2 0.3 1 4 20 0.3 0.5 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 O1 C1 O2 122.50(15) . . ? O1 C1 C10 125.31(15) . . ? O2 C1 C10 112.18(15) . . ? C2 B1 H1 125.7 . . ? C2 B1 B2 104.72(14) . . ? C2 B1 B4 59.16(11) . . ? C2 B1 B6 58.52(12) . . ? C2 B1 C21 100.44(14) . . ? B2 B1 H1 121.9 . . ? B2 B1 B6 108.17(15) . . ? B4 B1 H1 121.8 . . ? B4 B1 B2 59.92(12) . . ? B4 B1 B6 108.51(15) . . ? B6 B1 H1 121.2 . . ? C21 B1 H1 125.9 . . ? C21 B1 B2 58.94(12) . . ? C21 B1 B4 104.63(14) . . ? C21 B1 B6 58.18(12) . . ? C3 N1 B3 124.16(13) . . ? C3 N1 C6 106.01(13) . . ? C6 N1 B3 129.76(14) . . ? B1 C2 H2 117.6 . . ? B1 C2 B4 62.57(12) . . ? B1 C2 B5 114.57(14) . . ? B1 C2 B6 63.18(12) . . ? B1 C2 B10 115.51(14) . . ? B4 C2 H2 117.5 . . ? B4 C2 B5 62.65(11) . . ? B4 C2 B10 115.59(13) . . ? B5 C2 H2 117.7 . . ? B6 C2 H2 117.4 . . ? B6 C2 B4 115.16(15) . . ? B6 C2 B5 114.97(13) . . ? B6 C2 B10 62.84(11) . . ? B10 C2 H2 117.0 . . ? B10 C2 B5 63.23(10) . . ? B1 B2 H2A 121.5 . . ? B1 B2 B3 108.73(15) . . ? B1 B2 B8 107.48(15) . . ? B3 B2 H2A 121.8 . . ? B4 B2 B1 59.97(12) . . ? B4 B2 H2A 122.4 . . ? B4 B2 B3 60.61(11) . . ? B4 B2 B8 107.79(14) . . ? B8 B2 H2A 121.9 . . ? B8 B2 B3 59.98(10) . . ? C21 B2 B1 58.42(12) . . ? C21 B2 H2A 125.2 . . ? C21 B2 B3 104.80(13) . . ? C21 B2 B4 104.27(15) . . ? C21 B2 B8 58.26(10) . . ? C1 O2 C11 116.94(15) . . ? C12 N2 B9 124.00(14) . . ? C12 N2 C15 106.31(13) . . ? C15 N2 B9 129.41(12) . . ? N1 C3 H3 124.0 . . ? C4 C3 N1 111.95(15) . . ? C4 C3 H3 124.0 . . ? C19 O3 C20 118.71(14) . . ? N1 B3 B2 119.72(14) . . ? N1 B3 B4 122.96(13) . . ? N1 B3 B5 125.82(13) . . ? N1 B3 B8 120.67(14) . . ? N1 B3 B9 123.48(13) . . ? B2 B3 B4 58.83(11) . . ? B2 B3 B9 107.17(12) . . ? B4 B3 B9 107.12(13) . . ? B5 B3 B2 106.31(13) . . ? B5 B3 B4 59.65(11) . . ? B5 B3 B8 106.00(12) . . ? B5 B3 B9 59.46(9) . . ? B8 B3 B2 59.78(10) . . ? B8 B3 B4 106.23(12) . . ? B8 B3 B9 59.25(10) . . ? B1 B4 B3 108.81(14) . . ? B1 B4 H4 121.3 . . ? B1 B4 B5 107.82(14) . . ? C2 B4 B1 58.27(12) . . ? C2 B4 B2 104.19(13) . . ? C2 B4 B3 104.75(13) . . ? C2 B4 H4 125.1 . . ? C2 B4 B5 58.75(10) . . ? B2 B4 B1 60.11(12) . . ? B2 B4 B3 60.57(11) . . ? B2 B4 H4 122.4 . . ? B2 B4 B5 107.65(13) . . ? B3 B4 H4 121.9 . . ? B5 B4 B3 59.61(10) . . ? B5 B4 H4 121.8 . . ? C3 C4 H4A 126.5 . . ? C3 C4 C5 106.92(14) . . ? C5 C4 H4A 126.5 . . ? C6 C5 C4 106.63(13) . . ? C10 C5 C4 134.35(15) . . ? C10 C5 C6 119.03(14) . . ? C2 B5 B3 105.51(13) . . ? C2 B5 B4 58.59(10) . . ? C2 B5 H5 125.1 . . ? C2 B5 B9 104.77(12) . . ? C2 B5 B10 58.37(10) . . ? B3 B5 B4 60.74(11) . . ? B3 B5 H5 121.0 . . ? B3 B5 B9 61.72(10) . . ? B3 B5 B10 109.33(13) . . ? B4 B5 H5 120.9 . . ? B4 B5 B9 109.76(13) . . ? B4 B5 B10 108.18(13) . . ? B9 B5 H5 121.5 . . ? B9 B5 B10 59.75(10) . . ? B10 B5 H5 121.5 . . ? N1 C6 C5 108.49(13) . . ? C7 C6 N1 130.18(14) . . ? C7 C6 C5 121.33(14) . . ? B1 B6 H6 121.1 . . ? B1 B6 B10 108.28(14) . . ? C2 B6 B1 58.30(12) . . ? C2 B6 H6 125.8 . . ? C2 B6 B7 104.93(13) . . ? C2 B6 B10 58.97(10) . . ? B7 B6 B1 108.67(15) . . ? B7 B6 H6 121.6 . . ? B7 B6 B10 60.09(11) . . ? B10 B6 H6 121.9 . . ? C21 B6 B1 58.57(12) . . ? C21 B6 C2 100.56(14) . . ? C21 B6 H6 125.7 . . ? C21 B6 B7 59.09(12) . . ? C21 B6 B10 104.70(14) . . ? C6 C7 H7 120.8 . . ? C8 C7 C6 118.31(16) . . ? C8 C7 H7 120.8 . . ? B6 B7 H7A 121.1 . . ? B6 B7 B8 107.80(14) . . ? B6 B7 B9 108.76(13) . . ? B6 B7 B10 60.56(11) . . ? B8 B7 H7A 121.9 . . ? B8 B7 B9 59.92(10) . . ? B9 B7 H7A 122.0 . . ? B10 B7 H7A 122.4 . . ? B10 B7 B8 107.52(13) . . ? B10 B7 B9 59.99(10) . . ? C21 B7 B6 58.54(12) . . ? C21 B7 H7A 124.9 . . ? C21 B7 B8 58.46(11) . . ? C21 B7 B9 104.82(13) . . ? C21 B7 B10 104.64(13) . . ? B2 B8 B3 60.23(10) . . ? B2 B8 H8 121.4 . . ? B2 B8 B9 109.23(13) . . ? B3 B8 H8 121.3 . . ? B7 B8 B2 107.88(14) . . ? B7 B8 B3 109.44(14) . . ? B7 B8 H8 121.3 . . ? B7 B8 B9 60.52(11) . . ? B9 B8 B3 61.40(10) . . ? B9 B8 H8 121.3 . . ? C21 B8 B2 58.43(11) . . ? C21 B8 B3 105.12(13) . . ? C21 B8 B7 58.27(11) . . ? C21 B8 H8 125.1 . . ? C21 B8 B9 105.15(14) . . ? C7 C8 H8A 119.1 . . ? C7 C8 C9 121.74(16) . . ? C9 C8 H8A 119.1 . . ? C8 C9 H9 119.5 . . ? C10 C9 C8 120.96(15) . . ? C10 C9 H9 119.5 . . ? N2 B9 B3 123.84(13) . . ? N2 B9 B5 125.38(13) . . ? N2 B9 B7 119.96(13) . . ? N2 B9 B8 121.51(13) . . ? N2 B9 B10 121.86(14) . . ? B5 B9 B3 58.82(10) . . ? B5 B9 B7 106.47(12) . . ? B5 B9 B8 105.57(12) . . ? B7 B9 B3 107.07(12) . . ? B8 B9 B3 59.35(10) . . ? B8 B9 B7 59.57(11) . . ? B10 B9 B3 107.44(12) . . ? B10 B9 B5 60.27(10) . . ? B10 B9 B7 59.08(10) . . ? B10 B9 B8 106.53(13) . . ? C2 B10 B5 58.40(10) . . ? C2 B10 B6 58.19(11) . . ? C2 B10 B7 103.75(14) . . ? C2 B10 B9 104.98(13) . . ? C2 B10 H10 125.2 . . ? B5 B10 H10 121.9 . . ? B6 B10 B5 107.21(14) . . ? B6 B10 B9 108.55(14) . . ? B6 B10 H10 121.9 . . ? B7 B10 B5 107.69(14) . . ? B7 B10 B6 59.35(12) . . ? B7 B10 B9 60.93(10) . . ? B7 B10 H10 122.6 . . ? B9 B10 B5 59.99(10) . . ? B9 B10 H10 121.5 . . ? C5 C10 C1 120.01(15) . . ? C9 C10 C1 121.35(15) . . ? C9 C10 C5 118.63(14) . . ? O2 C11 H11A 109.5 . . ? O2 C11 H11B 109.5 . . ? O2 C11 H11C 109.5 . . ? H11A C11 H11B 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? N2 C12 H12 124.2 . . ? C13 C12 N2 111.52(16) . . ? C13 C12 H12 124.2 . . ? C12 C13 H13 126.3 . . ? C12 C13 C14 107.37(14) . . ? C14 C13 H13 126.3 . . ? C15 C14 C13 106.35(14) . . ? C18 C14 C13 134.21(15) . . ? C18 C14 C15 119.44(14) . . ? N2 C15 C14 108.44(13) . . ? C16 C15 N2 130.98(13) . . ? C16 C15 C14 120.58(14) . . ? C15 C16 H16 120.6 . . ? C17 C16 C15 118.78(14) . . ? C17 C16 H16 120.6 . . ? C16 C17 H17 119.7 . . ? C16 C17 C19 120.69(15) . . ? C19 C17 H17 119.7 . . ? C14 C18 H18 120.2 . . ? C19 C18 C14 119.61(14) . . ? C19 C18 H18 120.2 . . ? O3 C19 C17 123.67(15) . . ? C18 C19 O3 115.44(15) . . ? C18 C19 C17 120.89(15) . . ? O3 C20 H20A 109.5 . . ? O3 C20 H20B 109.5 . . ? O3 C20 H20C 109.5 . . ? H20A C20 H20B 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? B1 C21 B2 62.64(12) . . ? B1 C21 B7 115.24(15) . . ? B1 C21 B8 115.10(13) . . ? B1 C21 H21 117.5 . . ? B2 C21 H21 117.0 . . ? B6 C21 B1 63.24(13) . . ? B6 C21 B2 115.42(15) . . ? B6 C21 B7 62.37(12) . . ? B6 C21 B8 114.92(14) . . ? B6 C21 H21 117.6 . . ? B7 C21 B2 116.04(13) . . ? B7 C21 B8 63.27(11) . . ? B7 C21 H21 117.2 . . ? B8 C21 B2 63.30(11) . . ? B8 C21 H21 117.3 . . ? 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 C1 O1 1.203(2) . ? C1 O2 1.337(2) . ? C1 C10 1.479(2) . ? B1 H1 1.1000 . ? B1 C2 1.688(3) . ? B1 B2 1.764(3) . ? B1 B4 1.762(3) . ? B1 B6 1.771(3) . ? B1 C21 1.692(3) . ? N1 C3 1.383(2) . ? N1 B3 1.493(2) . ? N1 C6 1.3985(19) . ? C2 H2 1.1000 . ? C2 B4 1.704(3) . ? C2 B5 1.707(2) . ? C2 B6 1.693(3) . ? C2 B10 1.707(2) . ? B2 H2A 1.1000 . ? B2 B3 1.793(3) . ? B2 B4 1.761(3) . ? B2 B8 1.784(3) . ? B2 C21 1.702(3) . ? O2 C11 1.441(2) . ? N2 B9 1.479(2) . ? N2 C12 1.388(2) . ? N2 C15 1.3947(19) . ? C3 H3 0.9300 . ? C3 C4 1.353(2) . ? O3 C19 1.375(2) . ? O3 C20 1.406(2) . ? B3 B4 1.793(3) . ? B3 B5 1.773(3) . ? B3 B8 1.788(2) . ? B3 B9 1.825(2) . ? B4 H4 1.1000 . ? B4 B5 1.774(3) . ? C4 H4A 0.9300 . ? C4 C5 1.421(2) . ? C5 C6 1.418(2) . ? C5 C10 1.415(2) . ? B5 H5 1.1000 . ? B5 B9 1.785(2) . ? B5 B10 1.790(2) . ? C6 C7 1.385(2) . ? B6 H6 1.1000 . ? B6 B7 1.751(3) . ? B6 B10 1.772(3) . ? B6 C21 1.685(3) . ? C7 H7 0.9300 . ? C7 C8 1.376(2) . ? B7 H7A 1.1000 . ? B7 B8 1.780(3) . ? B7 B9 1.797(2) . ? B7 B10 1.764(3) . ? B7 C21 1.695(3) . ? B8 H8 1.1000 . ? B8 B9 1.786(3) . ? B8 C21 1.699(2) . ? C8 H8A 0.9300 . ? C8 C9 1.390(2) . ? C9 H9 0.9300 . ? C9 C10 1.381(2) . ? B9 B10 1.780(3) . ? B10 H10 1.1000 . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 H12 0.9300 . ? C12 C13 1.348(2) . ? C13 H13 0.9300 . ? C13 C14 1.424(2) . ? C14 C15 1.419(2) . ? C14 C18 1.390(2) . ? C15 C16 1.388(2) . ? C16 H16 0.9300 . ? C16 C17 1.383(2) . ? C17 H17 0.9300 . ? C17 C19 1.399(2) . ? C18 H18 0.9300 . ? C18 C19 1.371(2) . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C21 H21 1.1000 . ? 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 O1 C1 O2 C11 0.7(3) . . . . ? O1 C1 C10 C5 -0.4(2) . . . . ? O1 C1 C10 C9 -179.62(17) . . . . ? B1 C2 B4 B2 -40.48(13) . . . . ? B1 C2 B4 B3 -103.25(15) . . . . ? B1 C2 B4 B5 -142.74(14) . . . . ? B1 C2 B5 B3 -3.99(17) . . . . ? B1 C2 B5 B4 36.22(14) . . . . ? B1 C2 B5 B9 -68.18(17) . . . . ? B1 C2 B5 B10 -107.44(16) . . . . ? B1 C2 B6 B7 102.98(17) . . . . ? B1 C2 B6 B10 143.29(15) . . . . ? B1 C2 B6 C21 42.39(13) . . . . ? B1 C2 B10 B5 105.98(16) . . . . ? B1 C2 B10 B6 -36.23(15) . . . . ? B1 C2 B10 B7 3.46(18) . . . . ? B1 C2 B10 B9 66.57(17) . . . . ? B1 B2 B3 N1 -149.87(15) . . . . ? B1 B2 B3 B4 -37.11(13) . . . . ? B1 B2 B3 B5 0.50(17) . . . . ? B1 B2 B3 B8 99.82(15) . . . . ? B1 B2 B3 B9 62.87(17) . . . . ? B1 B2 B4 C2 39.56(13) . . . . ? B1 B2 B4 B3 138.70(14) . . . . ? B1 B2 B4 B5 100.81(15) . . . . ? B1 B2 B8 B3 -101.94(16) . . . . ? B1 B2 B8 B7 0.68(18) . . . . ? B1 B2 B8 B9 -63.52(16) . . . . ? B1 B2 B8 C21 32.82(13) . . . . ? B1 B2 C21 B6 -36.19(15) . . . . ? B1 B2 C21 B7 -106.36(17) . . . . ? B1 B2 C21 B8 -142.64(15) . . . . ? B1 B4 B5 C2 -32.74(14) . . . . ? B1 B4 B5 B3 101.78(15) . . . . ? B1 B4 B5 B9 62.89(17) . . . . ? B1 B4 B5 B10 -0.66(19) . . . . ? B1 B6 B7 B8 0.33(19) . . . . ? B1 B6 B7 B9 63.78(18) . . . . ? B1 B6 B7 B10 100.81(15) . . . . ? B1 B6 B7 C21 -32.47(13) . . . . ? B1 B6 B10 C2 32.38(14) . . . . ? B1 B6 B10 B5 -0.73(19) . . . . ? B1 B6 B10 B7 -101.47(17) . . . . ? B1 B6 B10 B9 -64.09(17) . . . . ? B1 B6 C21 B2 35.96(14) . . . . ? B1 B6 C21 B7 143.41(14) . . . . ? B1 B6 C21 B8 106.83(15) . . . . ? N1 C3 C4 C5 0.3(2) . . . . ? N1 B3 B4 B1 144.54(16) . . . . ? N1 B3 B4 C2 -154.46(15) . . . . ? N1 B3 B4 B2 107.35(17) . . . . ? N1 B3 B4 B5 -115.38(17) . . . . ? N1 B3 B5 C2 149.95(15) . . . . ? N1 B3 B5 B4 110.79(17) . . . . ? N1 B3 B5 B9 -111.35(17) . . . . ? N1 B3 B5 B10 -148.69(15) . . . . ? N1 B3 B8 B2 -108.76(17) . . . . ? N1 B3 B8 B7 151.27(14) . . . . ? N1 B3 B8 B9 113.17(16) . . . . ? N1 B3 B8 C21 -147.57(15) . . . . ? N1 B3 B9 N2 1.0(2) . . . . ? N1 B3 B9 B5 115.12(16) . . . . ? N1 B3 B9 B7 -145.62(15) . . . . ? N1 B3 B9 B8 -108.55(17) . . . . ? N1 B3 B9 B10 152.21(15) . . . . ? N1 C6 C7 C8 179.88(16) . . . . ? C2 B1 B2 B3 -2.74(18) . . . . ? C2 B1 B2 B4 -40.13(13) . . . . ? C2 B1 B2 B8 60.70(17) . . . . ? C2 B1 B2 C21 93.47(15) . . . . ? C2 B1 B4 B2 133.45(14) . . . . ? C2 B1 B4 B3 96.06(15) . . . . ? C2 B1 B4 B5 32.93(13) . . . . ? C2 B1 B6 B7 -96.37(15) . . . . ? C2 B1 B6 B10 -32.64(13) . . . . ? C2 B1 B6 C21 -129.04(14) . . . . ? C2 B1 C21 B2 -100.99(14) . . . . ? C2 B1 C21 B6 42.34(13) . . . . ? C2 B1 C21 B7 6.62(18) . . . . ? C2 B1 C21 B8 -64.21(18) . . . . ? C2 B4 B5 B3 134.52(13) . . . . ? C2 B4 B5 B9 95.63(13) . . . . ? C2 B4 B5 B10 32.08(12) . . . . ? C2 B5 B9 N2 -148.46(15) . . . . ? C2 B5 B9 B3 99.91(13) . . . . ? C2 B5 B9 B7 -0.39(17) . . . . ? C2 B5 B9 B8 61.84(15) . . . . ? C2 B5 B9 B10 -38.59(12) . . . . ? C2 B5 B10 B6 33.03(13) . . . . ? C2 B5 B10 B7 95.55(15) . . . . ? C2 B5 B10 B9 134.90(14) . . . . ? C2 B6 B7 B8 -60.72(18) . . . . ? C2 B6 B7 B9 2.7(2) . . . . ? C2 B6 B7 B10 39.76(13) . . . . ? C2 B6 B7 C21 -93.53(15) . . . . ? C2 B6 B10 B5 -33.12(13) . . . . ? C2 B6 B10 B7 -133.86(15) . . . . ? C2 B6 B10 B9 -96.47(14) . . . . ? C2 B6 C21 B1 -42.24(12) . . . . ? C2 B6 C21 B2 -6.27(19) . . . . ? C2 B6 C21 B7 101.18(14) . . . . ? C2 B6 C21 B8 64.59(17) . . . . ? B2 B1 C2 B4 40.51(13) . . . . ? B2 B1 C2 B5 4.26(18) . . . . ? B2 B1 C2 B6 -102.54(16) . . . . ? B2 B1 C2 B10 -66.44(17) . . . . ? B2 B1 B4 C2 -133.45(14) . . . . ? B2 B1 B4 B3 -37.39(14) . . . . ? B2 B1 B4 B5 -100.52(15) . . . . ? B2 B1 B6 C2 96.46(15) . . . . ? B2 B1 B6 B7 0.09(19) . . . . ? B2 B1 B6 B10 63.82(19) . . . . ? B2 B1 B6 C21 -32.58(13) . . . . ? B2 B1 C21 B6 143.33(15) . . . . ? B2 B1 C21 B7 107.61(15) . . . . ? B2 B1 C21 B8 36.78(15) . . . . ? B2 B3 B4 B1 37.19(14) . . . . ? B2 B3 B4 C2 98.19(14) . . . . ? B2 B3 B4 B5 137.26(13) . . . . ? B2 B3 B5 C2 1.93(15) . . . . ? B2 B3 B5 B4 -37.23(12) . . . . ? B2 B3 B5 B9 100.63(12) . . . . ? B2 B3 B5 B10 63.29(15) . . . . ? B2 B3 B8 B7 -99.97(15) . . . . ? B2 B3 B8 B9 -138.07(14) . . . . ? B2 B3 B8 C21 -38.81(13) . . . . ? B2 B3 B9 N2 146.70(15) . . . . ? B2 B3 B9 B5 -99.15(14) . . . . ? B2 B3 B9 B7 0.11(17) . . . . ? B2 B3 B9 B8 37.18(13) . . . . ? B2 B3 B9 B10 -62.06(16) . . . . ? B2 B4 B5 C2 -96.19(14) . . . . ? B2 B4 B5 B3 38.33(12) . . . . ? B2 B4 B5 B9 -0.56(17) . . . . ? B2 B4 B5 B10 -64.11(17) . . . . ? B2 B8 B9 N2 -151.23(14) . . . . ? B2 B8 B9 B3 -37.90(12) . . . . ? B2 B8 B9 B5 -0.08(16) . . . . ? B2 B8 B9 B7 100.15(14) . . . . ? B2 B8 B9 B10 62.90(15) . . . . ? B2 B8 C21 B1 -36.53(16) . . . . ? B2 B8 C21 B6 -107.22(16) . . . . ? B2 B8 C21 B7 -143.47(15) . . . . ? O2 C1 C10 C5 179.29(14) . . . . ? O2 C1 C10 C9 0.1(2) . . . . ? N2 B9 B10 C2 154.12(13) . . . . ? N2 B9 B10 B5 115.48(15) . . . . ? N2 B9 B10 B6 -144.94(14) . . . . ? N2 B9 B10 B7 -108.25(16) . . . . ? N2 C12 C13 C14 0.1(2) . . . . ? N2 C15 C16 C17 -179.02(14) . . . . ? C3 N1 B3 B2 -19.2(2) . . . . ? C3 N1 B3 B4 -89.4(2) . . . . ? C3 N1 B3 B5 -163.42(15) . . . . ? C3 N1 B3 B8 51.2(2) . . . . ? C3 N1 B3 B9 122.48(17) . . . . ? C3 N1 C6 C5 0.92(17) . . . . ? C3 N1 C6 C7 -178.41(17) . . . . ? C3 C4 C5 C6 0.27(18) . . . . ? C3 C4 C5 C10 -179.94(16) . . . . ? B3 N1 C3 C4 176.37(15) . . . . ? B3 N1 C6 C5 -176.01(14) . . . . ? B3 N1 C6 C7 4.7(3) . . . . ? B3 B2 B4 B1 -138.70(14) . . . . ? B3 B2 B4 C2 -99.14(13) . . . . ? B3 B2 B4 B5 -37.90(12) . . . . ? B3 B2 B8 B7 102.62(14) . . . . ? B3 B2 B8 B9 38.42(12) . . . . ? B3 B2 B8 C21 134.76(15) . . . . ? B3 B2 C21 B1 103.15(16) . . . . ? B3 B2 C21 B6 66.96(19) . . . . ? B3 B2 C21 B7 -3.2(2) . . . . ? B3 B2 C21 B8 -39.49(13) . . . . ? B3 B4 B5 C2 -134.52(13) . . . . ? B3 B4 B5 B9 -38.89(11) . . . . ? B3 B4 B5 B10 -102.44(13) . . . . ? B3 B5 B9 N2 111.63(17) . . . . ? B3 B5 B9 B7 -100.30(13) . . . . ? B3 B5 B9 B8 -38.07(11) . . . . ? B3 B5 B9 B10 -138.50(13) . . . . ? B3 B5 B10 C2 -96.70(14) . . . . ? B3 B5 B10 B6 -63.67(16) . . . . ? B3 B5 B10 B7 -1.15(17) . . . . ? B3 B5 B10 B9 38.20(12) . . . . ? B3 B8 B9 N2 -113.33(16) . . . . ? B3 B8 B9 B5 37.83(11) . . . . ? B3 B8 B9 B7 138.06(13) . . . . ? B3 B8 B9 B10 100.80(13) . . . . ? B3 B8 C21 B1 3.2(2) . . . . ? B3 B8 C21 B2 39.68(13) . . . . ? B3 B8 C21 B6 -67.54(17) . . . . ? B3 B8 C21 B7 -103.79(14) . . . . ? B3 B9 B10 C2 2.19(16) . . . . ? B3 B9 B10 B5 -36.46(11) . . . . ? B3 B9 B10 B6 63.12(15) . . . . ? B3 B9 B10 B7 99.82(13) . . . . ? B4 B1 C2 B5 -36.25(13) . . . . ? B4 B1 C2 B6 -143.05(15) . . . . ? B4 B1 C2 B10 -106.95(15) . . . . ? B4 B1 B2 B3 37.38(13) . . . . ? B4 B1 B2 B8 100.83(15) . . . . ? B4 B1 B2 C21 133.59(15) . . . . ? B4 B1 B6 C2 32.98(14) . . . . ? B4 B1 B6 B7 -63.39(19) . . . . ? B4 B1 B6 B10 0.3(2) . . . . ? B4 B1 B6 C21 -96.06(16) . . . . ? B4 B1 C21 B2 -40.37(14) . . . . ? B4 B1 C21 B6 102.96(16) . . . . ? B4 B1 C21 B7 67.24(19) . . . . ? B4 B1 C21 B8 -3.6(2) . . . . ? B4 C2 B5 B3 -40.21(12) . . . . ? B4 C2 B5 B9 -104.40(14) . . . . ? B4 C2 B5 B10 -143.65(14) . . . . ? B4 C2 B6 B1 -36.12(14) . . . . ? B4 C2 B6 B7 66.86(18) . . . . ? B4 C2 B6 B10 107.17(15) . . . . ? B4 C2 B6 C21 6.27(18) . . . . ? B4 C2 B10 B5 35.71(14) . . . . ? B4 C2 B10 B6 -106.50(16) . . . . ? B4 C2 B10 B7 -66.81(16) . . . . ? B4 C2 B10 B9 -3.70(18) . . . . ? B4 B2 B3 N1 -112.76(16) . . . . ? B4 B2 B3 B5 37.60(12) . . . . ? B4 B2 B3 B8 136.92(15) . . . . ? B4 B2 B3 B9 99.97(14) . . . . ? B4 B2 B8 B3 -38.68(13) . . . . ? B4 B2 B8 B7 63.94(16) . . . . ? B4 B2 B8 B9 -0.26(18) . . . . ? B4 B2 B8 C21 96.08(16) . . . . ? B4 B2 C21 B1 40.32(13) . . . . ? B4 B2 C21 B6 4.13(19) . . . . ? B4 B2 C21 B7 -66.04(18) . . . . ? B4 B2 C21 B8 -102.32(14) . . . . ? B4 B3 B5 C2 39.16(11) . . . . ? B4 B3 B5 B9 137.86(12) . . . . ? B4 B3 B5 B10 100.51(13) . . . . ? B4 B3 B8 B2 37.49(14) . . . . ? B4 B3 B8 B7 -62.48(16) . . . . ? B4 B3 B8 B9 -100.58(14) . . . . ? B4 B3 B8 C21 -1.32(17) . . . . ? B4 B3 B9 N2 -151.44(14) . . . . ? B4 B3 B9 B5 -37.29(12) . . . . ? B4 B3 B9 B7 61.97(15) . . . . ? B4 B3 B9 B8 99.04(13) . . . . ? B4 B3 B9 B10 -0.20(16) . . . . ? B4 B5 B9 N2 150.09(15) . . . . ? B4 B5 B9 B3 38.46(12) . . . . ? B4 B5 B9 B7 -61.84(16) . . . . ? B4 B5 B9 B8 0.39(16) . . . . ? B4 B5 B9 B10 -100.04(14) . . . . ? B4 B5 B10 C2 -32.17(13) . . . . ? B4 B5 B10 B6 0.86(18) . . . . ? B4 B5 B10 B7 63.38(16) . . . . ? B4 B5 B10 B9 102.73(14) . . . . ? C4 C5 C6 N1 -0.75(16) . . . . ? C4 C5 C6 C7 178.65(15) . . . . ? C4 C5 C10 C1 1.9(3) . . . . ? C4 C5 C10 C9 -178.84(17) . . . . ? C5 C6 C7 C8 0.6(2) . . . . ? B5 C2 B4 B1 142.74(14) . . . . ? B5 C2 B4 B2 102.26(14) . . . . ? B5 C2 B4 B3 39.49(12) . . . . ? B5 C2 B6 B1 -106.17(17) . . . . ? B5 C2 B6 B7 -3.2(2) . . . . ? B5 C2 B6 B10 37.12(14) . . . . ? B5 C2 B6 C21 -63.78(18) . . . . ? B5 C2 B10 B6 -142.21(15) . . . . ? B5 C2 B10 B7 -102.52(14) . . . . ? B5 C2 B10 B9 -39.41(12) . . . . ? B5 B3 B4 B1 -100.07(16) . . . . ? B5 B3 B4 C2 -39.07(12) . . . . ? B5 B3 B4 B2 -137.26(13) . . . . ? B5 B3 B8 B2 99.85(14) . . . . ? B5 B3 B8 B7 -0.12(17) . . . . ? B5 B3 B8 B9 -38.22(11) . . . . ? B5 B3 B8 C21 61.04(16) . . . . ? B5 B3 B9 N2 -114.15(16) . . . . ? B5 B3 B9 B7 99.26(13) . . . . ? B5 B3 B9 B8 136.33(13) . . . . ? B5 B3 B9 B10 37.09(12) . . . . ? B5 B9 B10 C2 38.65(12) . . . . ? B5 B9 B10 B6 99.58(14) . . . . ? B5 B9 B10 B7 136.28(14) . . . . ? C6 N1 C3 C4 -0.77(19) . . . . ? C6 N1 B3 B2 157.18(15) . . . . ? C6 N1 B3 B4 87.1(2) . . . . ? C6 N1 B3 B5 13.0(2) . . . . ? C6 N1 B3 B8 -132.41(16) . . . . ? C6 N1 B3 B9 -61.1(2) . . . . ? C6 C5 C10 C1 -178.30(13) . . . . ? C6 C5 C10 C9 0.9(2) . . . . ? C6 C7 C8 C9 0.2(3) . . . . ? B6 B1 C2 B4 143.05(15) . . . . ? B6 B1 C2 B5 106.80(15) . . . . ? B6 B1 C2 B10 36.10(14) . . . . ? B6 B1 B2 B3 -63.93(17) . . . . ? B6 B1 B2 B4 -101.31(16) . . . . ? B6 B1 B2 B8 -0.48(19) . . . . ? B6 B1 B2 C21 32.28(13) . . . . ? B6 B1 B4 C2 -32.73(14) . . . . ? B6 B1 B4 B2 100.72(17) . . . . ? B6 B1 B4 B3 63.3(2) . . . . ? B6 B1 B4 B5 0.2(2) . . . . ? B6 B1 C21 B2 -143.33(15) . . . . ? B6 B1 C21 B7 -35.72(14) . . . . ? B6 B1 C21 B8 -106.55(16) . . . . ? B6 C2 B4 B1 36.35(14) . . . . ? B6 C2 B4 B2 -4.13(18) . . . . ? B6 C2 B4 B3 -66.90(17) . . . . ? B6 C2 B4 B5 -106.39(15) . . . . ? B6 C2 B5 B3 66.48(17) . . . . ? B6 C2 B5 B4 106.68(17) . . . . ? B6 C2 B5 B9 2.28(19) . . . . ? B6 C2 B5 B10 -36.97(15) . . . . ? B6 C2 B10 B5 142.21(15) . . . . ? B6 C2 B10 B7 39.69(13) . . . . ? B6 C2 B10 B9 102.80(15) . . . . ? B6 B7 B8 B2 -0.63(18) . . . . ? B6 B7 B8 B3 63.31(17) . . . . ? B6 B7 B8 B9 101.79(14) . . . . ? B6 B7 B8 C21 -32.83(13) . . . . ? B6 B7 B9 N2 148.68(15) . . . . ? B6 B7 B9 B3 -63.18(17) . . . . ? B6 B7 B9 B5 -1.47(19) . . . . ? B6 B7 B9 B8 -100.16(16) . . . . ? B6 B7 B9 B10 37.28(14) . . . . ? B6 B7 B10 C2 -39.11(12) . . . . ? B6 B7 B10 B5 -99.90(14) . . . . ? B6 B7 B10 B9 -138.81(14) . . . . ? B6 B7 C21 B1 36.04(14) . . . . ? B6 B7 C21 B2 106.46(17) . . . . ? B6 B7 C21 B8 142.76(14) . . . . ? C7 C8 C9 C10 -0.4(3) . . . . ? B7 B6 B10 C2 133.86(15) . . . . ? B7 B6 B10 B5 100.74(14) . . . . ? B7 B6 B10 B9 37.38(12) . . . . ? B7 B6 C21 B1 -143.41(14) . . . . ? B7 B6 C21 B2 -107.45(15) . . . . ? B7 B6 C21 B8 -36.58(13) . . . . ? B7 B8 B9 N2 108.62(16) . . . . ? B7 B8 B9 B3 -138.06(13) . . . . ? B7 B8 B9 B5 -100.23(13) . . . . ? B7 B8 B9 B10 -37.26(12) . . . . ? B7 B8 C21 B1 106.94(17) . . . . ? B7 B8 C21 B2 143.47(15) . . . . ? B7 B8 C21 B6 36.24(14) . . . . ? B7 B9 B10 C2 -97.63(14) . . . . ? B7 B9 B10 B5 -136.28(14) . . . . ? B7 B9 B10 B6 -36.69(13) . . . . ? B8 B2 B3 N1 110.32(17) . . . . ? B8 B2 B3 B4 -136.92(15) . . . . ? B8 B2 B3 B5 -99.32(13) . . . . ? B8 B2 B3 B9 -36.95(13) . . . . ? B8 B2 B4 B1 -100.31(15) . . . . ? B8 B2 B4 C2 -60.75(16) . . . . ? B8 B2 B4 B3 38.40(12) . . . . ? B8 B2 B4 B5 0.50(18) . . . . ? B8 B2 C21 B1 142.64(15) . . . . ? B8 B2 C21 B6 106.45(16) . . . . ? B8 B2 C21 B7 36.28(15) . . . . ? B8 B3 B4 B1 -0.74(19) . . . . ? B8 B3 B4 C2 60.26(16) . . . . ? B8 B3 B4 B2 -37.93(13) . . . . ? B8 B3 B4 B5 99.33(13) . . . . ? B8 B3 B5 C2 -60.57(14) . . . . ? B8 B3 B5 B4 -99.74(13) . . . . ? B8 B3 B5 B9 38.12(11) . . . . ? B8 B3 B5 B10 0.78(16) . . . . ? B8 B3 B9 N2 109.52(17) . . . . ? B8 B3 B9 B5 -136.33(13) . . . . ? B8 B3 B9 B7 -37.07(12) . . . . ? B8 B3 B9 B10 -99.24(14) . . . . ? B8 B7 B9 N2 -111.16(16) . . . . ? B8 B7 B9 B3 36.97(12) . . . . ? B8 B7 B9 B5 98.69(14) . . . . ? B8 B7 B9 B10 137.43(14) . . . . ? B8 B7 B10 C2 61.84(15) . . . . ? B8 B7 B10 B5 1.05(17) . . . . ? B8 B7 B10 B6 100.95(15) . . . . ? B8 B7 B10 B9 -37.87(12) . . . . ? B8 B7 C21 B1 -106.71(15) . . . . ? B8 B7 C21 B2 -36.29(15) . . . . ? B8 B7 C21 B6 -142.76(14) . . . . ? B8 B9 B10 C2 -60.15(15) . . . . ? B8 B9 B10 B5 -98.80(13) . . . . ? B8 B9 B10 B6 0.78(16) . . . . ? B8 B9 B10 B7 37.48(12) . . . . ? C8 C9 C10 C1 179.04(16) . . . . ? C8 C9 C10 C5 -0.2(3) . . . . ? B9 N2 C12 C13 -175.00(16) . . . . ? B9 N2 C15 C14 174.83(14) . . . . ? B9 N2 C15 C16 -4.7(3) . . . . ? B9 B3 B4 B1 -62.87(17) . . . . ? B9 B3 B4 C2 -1.87(16) . . . . ? B9 B3 B4 B2 -100.06(13) . . . . ? B9 B3 B4 B5 37.20(11) . . . . ? B9 B3 B5 C2 -98.70(12) . . . . ? B9 B3 B5 B4 -137.86(12) . . . . ? B9 B3 B5 B10 -37.34(11) . . . . ? B9 B3 B8 B2 138.07(14) . . . . ? B9 B3 B8 B7 38.10(12) . . . . ? B9 B3 B8 C21 99.26(14) . . . . ? B9 B5 B10 C2 -134.90(14) . . . . ? B9 B5 B10 B6 -101.87(15) . . . . ? B9 B5 B10 B7 -39.35(12) . . . . ? B9 B7 B8 B2 -102.42(14) . . . . ? B9 B7 B8 B3 -38.48(12) . . . . ? B9 B7 B8 C21 -134.63(13) . . . . ? B9 B7 B10 C2 99.70(13) . . . . ? B9 B7 B10 B5 38.92(12) . . . . ? B9 B7 B10 B6 138.81(14) . . . . ? B9 B7 C21 B1 -67.14(17) . . . . ? B9 B7 C21 B2 3.3(2) . . . . ? B9 B7 C21 B6 -103.18(14) . . . . ? B9 B7 C21 B8 39.57(12) . . . . ? B9 B8 C21 B1 67.01(18) . . . . ? B9 B8 C21 B2 103.54(14) . . . . ? B9 B8 C21 B6 -3.68(18) . . . . ? B9 B8 C21 B7 -39.93(12) . . . . ? B10 C2 B4 B1 106.82(16) . . . . ? B10 C2 B4 B2 66.34(17) . . . . ? B10 C2 B4 B3 3.57(18) . . . . ? B10 C2 B4 B5 -35.92(14) . . . . ? B10 C2 B5 B3 103.45(13) . . . . ? B10 C2 B5 B4 143.65(14) . . . . ? B10 C2 B5 B9 39.25(12) . . . . ? B10 C2 B6 B1 -143.29(15) . . . . ? B10 C2 B6 B7 -40.31(14) . . . . ? B10 C2 B6 C21 -100.90(14) . . . . ? B10 B5 B9 N2 -109.87(18) . . . . ? B10 B5 B9 B3 138.50(13) . . . . ? B10 B5 B9 B7 38.20(13) . . . . ? B10 B5 B9 B8 100.43(13) . . . . ? B10 B6 B7 B8 -100.48(14) . . . . ? B10 B6 B7 B9 -37.03(13) . . . . ? B10 B6 B7 C21 -133.28(14) . . . . ? B10 B6 C21 B1 -102.69(14) . . . . ? B10 B6 C21 B2 -66.73(18) . . . . ? B10 B6 C21 B7 40.73(12) . . . . ? B10 B6 C21 B8 4.14(18) . . . . ? B10 B7 B8 B2 -64.52(16) . . . . ? B10 B7 B8 B3 -0.59(17) . . . . ? B10 B7 B8 B9 37.90(12) . . . . ? B10 B7 B8 C21 -96.73(14) . . . . ? B10 B7 B9 N2 111.40(17) . . . . ? B10 B7 B9 B3 -100.46(13) . . . . ? B10 B7 B9 B5 -38.74(13) . . . . ? B10 B7 B9 B8 -137.43(14) . . . . ? B10 B7 C21 B1 -4.90(18) . . . . ? B10 B7 C21 B2 65.52(19) . . . . ? B10 B7 C21 B6 -40.94(12) . . . . ? B10 B7 C21 B8 101.82(13) . . . . ? C10 C1 O2 C11 -179.02(16) . . . . ? C10 C5 C6 N1 179.43(13) . . . . ? C10 C5 C6 C7 -1.2(2) . . . . ? C12 N2 B9 B3 -86.3(2) . . . . ? C12 N2 B9 B5 -159.57(16) . . . . ? C12 N2 B9 B7 56.3(2) . . . . ? C12 N2 B9 B8 -14.3(2) . . . . ? C12 N2 B9 B10 126.39(17) . . . . ? C12 N2 C15 C14 0.74(17) . . . . ? C12 N2 C15 C16 -178.75(16) . . . . ? C12 C13 C14 C15 0.4(2) . . . . ? C12 C13 C14 C18 179.94(18) . . . . ? C13 C14 C15 N2 -0.71(17) . . . . ? C13 C14 C15 C16 178.84(14) . . . . ? C13 C14 C18 C19 179.98(18) . . . . ? C14 C15 C16 C17 1.5(2) . . . . ? C14 C18 C19 O3 -178.33(14) . . . . ? C14 C18 C19 C17 1.0(2) . . . . ? C15 N2 B9 B3 100.52(19) . . . . ? C15 N2 B9 B5 27.3(2) . . . . ? C15 N2 B9 B7 -116.89(17) . . . . ? C15 N2 B9 B8 172.53(14) . . . . ? C15 N2 B9 B10 -46.8(2) . . . . ? C15 N2 C12 C13 -0.5(2) . . . . ? C15 C14 C18 C19 -0.5(2) . . . . ? C15 C16 C17 C19 -1.0(2) . . . . ? C16 C17 C19 O3 179.06(15) . . . . ? C16 C17 C19 C18 -0.2(2) . . . . ? C18 C14 C15 N2 179.67(13) . . . . ? C18 C14 C15 C16 -0.8(2) . . . . ? C20 O3 C19 C17 16.4(3) . . . . ? C20 O3 C19 C18 -164.28(16) . . . . ? C21 B1 C2 B4 100.90(14) . . . . ? C21 B1 C2 B5 64.65(16) . . . . ? C21 B1 C2 B6 -42.15(13) . . . . ? C21 B1 C2 B10 -6.05(18) . . . . ? C21 B1 B2 B3 -96.21(14) . . . . ? C21 B1 B2 B4 -133.59(15) . . . . ? C21 B1 B2 B8 -32.76(13) . . . . ? C21 B1 B4 C2 -93.57(15) . . . . ? C21 B1 B4 B2 39.88(14) . . . . ? C21 B1 B4 B3 2.5(2) . . . . ? C21 B1 B4 B5 -60.64(19) . . . . ? C21 B1 B6 C2 129.04(14) . . . . ? C21 B1 B6 B7 32.67(13) . . . . ? C21 B1 B6 B10 96.40(15) . . . . ? C21 B2 B3 N1 148.97(15) . . . . ? C21 B2 B3 B4 -98.27(16) . . . . ? C21 B2 B3 B5 -60.66(16) . . . . ? C21 B2 B3 B8 38.66(13) . . . . ? C21 B2 B3 B9 1.71(18) . . . . ? C21 B2 B4 B1 -39.54(13) . . . . ? C21 B2 B4 C2 0.02(16) . . . . ? C21 B2 B4 B3 99.16(14) . . . . ? C21 B2 B4 B5 61.26(16) . . . . ? C21 B2 B8 B3 -134.76(15) . . . . ? C21 B2 B8 B7 -32.14(13) . . . . ? C21 B2 B8 B9 -96.34(15) . . . . ? C21 B6 B7 B8 32.80(12) . . . . ? C21 B6 B7 B9 96.25(15) . . . . ? C21 B6 B7 B10 133.28(14) . . . . ? C21 B6 B10 C2 93.63(14) . . . . ? C21 B6 B10 B5 60.52(16) . . . . ? C21 B6 B10 B7 -40.22(13) . . . . ? C21 B6 B10 B9 -2.84(17) . . . . ? C21 B7 B8 B2 32.20(12) . . . . ? C21 B7 B8 B3 96.14(14) . . . . ? C21 B7 B8 B9 134.63(13) . . . . ? C21 B7 B9 N2 -150.03(15) . . . . ? C21 B7 B9 B3 -1.89(17) . . . . ? C21 B7 B9 B5 59.82(16) . . . . ? C21 B7 B9 B8 -38.86(12) . . . . ? C21 B7 B9 B10 98.57(14) . . . . ? C21 B7 B10 C2 0.81(16) . . . . ? C21 B7 B10 B5 -59.97(15) . . . . ? C21 B7 B10 B6 39.93(13) . . . . ? C21 B7 B10 B9 -98.89(13) . . . . ? C21 B8 B9 N2 147.45(14) . . . . ? C21 B8 B9 B3 -99.22(14) . . . . ? C21 B8 B9 B5 -61.39(14) . . . . ? C21 B8 B9 B7 38.84(12) . . . . ? C21 B8 B9 B10 1.58(15) . . . . ?