#------------------------------------------------------------------------------ #$Date: 2024-08-05 21:01:50 +0300 (Mon, 05 Aug 2024) $ #$Revision: 293754 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/17/1571748.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_1571748 loop_ _publ_author_name 'Zhu, Mengjie' 'Wang, Puzhao' 'Wu, Zhengqiu' 'Zhong, Yangfa' 'Su, Laiman' 'Xin, Yuquan' 'Spokoyny, Alexander M.' 'Zou, Chao' 'Mu, Xin' _publ_section_title ; A Pd-catalyzed route to carborane-fused boron heterocycles. ; _journal_issue 27 _journal_name_full 'Chemical science' _journal_page_first 10392 _journal_page_last 10401 _journal_paper_doi 10.1039/d4sc02214a _journal_volume 15 _journal_year 2024 _chemical_formula_moiety 'C13 H18 B10 N2 O3' _chemical_formula_sum 'C13 H18 B10 N2 O3' _chemical_formula_weight 358.39 _chemical_name_systematic 123 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _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 80.240(8) _cell_angle_beta 66.662(7) _cell_angle_gamma 67.274(7) _cell_formula_units_Z 2 _cell_length_a 9.2904(15) _cell_length_b 10.4019(16) _cell_length_c 11.1933(18) _cell_measurement_reflns_used 6695 _cell_measurement_temperature 302.00 _cell_measurement_theta_max 68.24 _cell_measurement_theta_min 4.30 _cell_volume 915.9(3) _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 0.985 _diffrn_measured_fraction_theta_max 0.982 _diffrn_measurement_device_type 'Bruker D8 VENTURE' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0453 _diffrn_reflns_av_unetI/netI 0.0466 _diffrn_reflns_Laue_measured_fraction_full 0.985 _diffrn_reflns_Laue_measured_fraction_max 0.982 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 10720 _diffrn_reflns_point_group_measured_fraction_full 0.985 _diffrn_reflns_point_group_measured_fraction_max 0.982 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 68.237 _diffrn_reflns_theta_min 4.302 _diffrn_source_current 1.1 _diffrn_source_power 0.05500000000000001 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.623 _exptl_absorpt_correction_T_max 0.7531 _exptl_absorpt_correction_T_min 0.5383 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1226 before and 0.0583 after correction. The Ratio of minimum to maximum transmission is 0.7148. 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 1.300 _exptl_crystal_description block _exptl_crystal_F_000 368 _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.11 _refine_diff_density_max 0.351 _refine_diff_density_min -0.203 _refine_diff_density_rms 0.049 _refine_ls_extinction_coef 0.0086(16) _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 1.075 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 255 _refine_ls_number_reflns 3294 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.075 _refine_ls_R_factor_all 0.0548 _refine_ls_R_factor_gt 0.0486 _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^)+(0.0890P)^2^+0.1684P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1394 _refine_ls_wR_factor_ref 0.1426 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2992 _reflns_number_total 3294 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL cu_20230925_zm_hdlg_zmj_62_0m_a.res in P-1 cu_20230925_zm_hdlg_zmj_62_0m.res created by SHELXL-2018/3 at 17:48:03 on 25-Sep-2023 REM Old TITL cu_20230925_ZM_HDLG_ZMJ_62_0m in P-1 REM SHELXT solution in P-1: R1 0.154, Rweak 0.008, Alpha 0.051 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C13 B10 N3 O2 CELL 1.54178 9.2904 10.4019 11.1933 80.24 66.662 67.274 ZERR 2 0.0015 0.0016 0.0018 0.008 0.007 0.007 LATT 1 SFAC C H B N O UNIT 26 36 20 4 6 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 0.089000 0.168400 EXTI 0.008597 FVAR 1.31997 B1 3 0.850111 0.208203 0.422861 11.00000 0.04959 0.04042 = 0.03586 -0.00180 -0.02291 -0.01767 AFIX 153 H1 2 0.851037 0.164569 0.519319 11.00000 -1.20000 AFIX 0 N1 4 0.557156 0.261979 0.197107 11.00000 0.03283 0.03059 = 0.03191 -0.00736 -0.01375 -0.00812 O1 5 0.269326 0.600096 0.151436 11.00000 0.05738 0.03840 = 0.04651 -0.00821 -0.02523 0.00163 C1 1 0.161225 0.734273 0.208811 11.00000 0.07830 0.04248 = 0.07043 -0.01808 -0.03262 0.01327 AFIX 137 H1A 2 0.109768 0.792630 0.149904 11.00000 -1.50000 H1B 2 0.225957 0.777035 0.225794 11.00000 -1.50000 H1C 2 0.075973 0.722492 0.288935 11.00000 -1.50000 AFIX 0 B2 3 1.000475 0.121421 0.276911 11.00000 0.03734 0.03451 = 0.04747 -0.00433 -0.02178 -0.00962 AFIX 153 H2 2 1.100737 0.020582 0.276202 11.00000 -1.20000 AFIX 0 O2 5 0.320987 0.522959 0.334643 11.00000 0.06105 0.05951 = 0.04091 -0.01792 -0.02194 0.00473 C2 1 0.341269 0.503699 0.225490 11.00000 0.03171 0.04039 = 0.03440 -0.00596 -0.01243 -0.00821 N2 4 0.730931 0.015909 0.364733 11.00000 0.04022 0.03220 = 0.03574 -0.00127 -0.01530 -0.01364 C3 1 0.438112 0.370549 0.158281 11.00000 0.03095 0.03513 = 0.03306 -0.00365 -0.01223 -0.00948 B3 3 0.901748 0.164808 0.161410 11.00000 0.03220 0.03268 = 0.03228 -0.00856 -0.01004 -0.01128 AFIX 153 H3 2 0.939428 0.091231 0.085396 11.00000 -1.20000 AFIX 0 O3 5 0.710889 -0.091304 0.083558 11.00000 0.05791 0.04346 = 0.05531 -0.02243 -0.02147 -0.01050 B4 3 0.845691 0.346076 0.127612 11.00000 0.04157 0.03465 = 0.03223 -0.00230 -0.01510 -0.01524 AFIX 153 H4 2 0.846734 0.389419 0.030669 11.00000 -1.20000 AFIX 0 C4 1 0.401286 0.322328 0.071341 11.00000 0.04148 0.04322 = 0.04560 -0.00277 -0.02505 -0.01437 AFIX 43 H4A 2 0.327386 0.374929 0.029694 11.00000 -1.20000 AFIX 0 C5 1 0.494504 0.180303 0.056583 11.00000 0.04956 0.04348 = 0.04440 -0.00764 -0.02423 -0.01905 AFIX 43 H5 2 0.493168 0.121002 0.003808 11.00000 -1.20000 AFIX 0 B5 3 0.909042 0.415288 0.223612 11.00000 0.04463 0.03593 = 0.03991 -0.00479 -0.01622 -0.01803 AFIX 153 H5A 2 0.950217 0.505416 0.190184 11.00000 -1.20000 AFIX 0 B6 3 0.696236 0.434396 0.272693 11.00000 0.03962 0.02921 = 0.03910 -0.00780 -0.01671 -0.00889 AFIX 153 H6 2 0.599084 0.536759 0.271678 11.00000 -1.20000 AFIX 0 C6 1 0.589106 0.143178 0.134046 11.00000 0.03474 0.03506 = 0.03445 -0.00823 -0.01258 -0.01328 C7 1 0.679203 -0.004219 0.161114 11.00000 0.03292 0.03480 = 0.04033 -0.01186 -0.01050 -0.01217 B7 3 0.658180 0.306469 0.397655 11.00000 0.03954 0.03487 = 0.03077 -0.00830 -0.01196 -0.01307 AFIX 153 H7 2 0.536067 0.326825 0.477885 11.00000 -1.20000 AFIX 0 B8 3 0.784876 0.138474 0.327224 11.00000 0.03580 0.03013 = 0.03181 -0.00361 -0.01485 -0.01069 C8 1 0.705939 -0.053974 0.283824 11.00000 0.03255 0.02905 = 0.04200 -0.00802 -0.01138 -0.00906 B9 3 0.687637 0.277147 0.236157 11.00000 0.03378 0.02912 = 0.02865 -0.00623 -0.01261 -0.00909 C9 1 0.692409 -0.177728 0.345624 11.00000 0.04815 0.03143 = 0.06136 -0.00201 -0.02076 -0.01609 AFIX 43 H9 2 0.675617 -0.245092 0.313011 11.00000 -1.20000 AFIX 0 B10 3 1.003944 0.276495 0.316194 11.00000 0.04482 0.04338 = 0.04508 -0.00375 -0.02425 -0.01792 AFIX 153 H10 2 1.105639 0.277284 0.342724 11.00000 -1.20000 AFIX 0 C10 1 0.708246 -0.184131 0.465043 11.00000 0.05708 0.04099 = 0.05806 0.01217 -0.02428 -0.02311 AFIX 43 H10A 2 0.702749 -0.255636 0.527139 11.00000 -1.20000 AFIX 0 C11 1 0.733445 -0.065516 0.474154 11.00000 0.05118 0.04448 = 0.04037 0.00620 -0.02037 -0.01867 AFIX 43 H11 2 0.749756 -0.043610 0.543891 11.00000 -1.20000 AFIX 0 C12 1 1.020179 0.252550 0.165440 11.00000 0.03604 0.03808 = 0.03891 -0.00747 -0.01268 -0.01483 AFIX 153 H12 2 1.143218 0.235301 0.086950 11.00000 -1.20000 AFIX 0 C13 1 0.798946 0.380713 0.379734 11.00000 0.04565 0.03796 = 0.03416 -0.00971 -0.01655 -0.01514 AFIX 153 H13 2 0.764452 0.454715 0.454451 11.00000 -1.20000 AFIX 0 HKLF 4 REM cu_20230925_zm_hdlg_zmj_62_0m_a.res in P-1 REM wR2 = 0.1426, GooF = S = 1.075, Restrained GooF = 1.075 for all data REM R1 = 0.0486 for 2992 Fo > 4sig(Fo) and 0.0548 for all 3294 data REM 255 parameters refined using 0 restraints END WGHT 0.0890 0.1684 REM Highest difference peak 0.351, deepest hole -0.203, 1-sigma level 0.049 Q1 1 0.0975 0.5623 0.3758 11.00000 0.05 0.35 Q2 1 0.5673 0.1559 0.0802 11.00000 0.05 0.26 Q3 1 0.7012 -0.0228 0.2225 11.00000 0.05 0.25 Q4 1 0.6868 0.2666 0.3177 11.00000 0.05 0.24 Q5 1 0.5893 0.2072 0.1685 11.00000 0.05 0.24 REM The information below was added by Olex2. REM REM R1 = 0.0486 for 2992 Fo > 4sig(Fo) and 0.0548 for all 10720 data REM 255 parameters refined using n/a restraints REM Highest difference peak 0.35, deepest hole -0.20 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0548 REM R1_gt = 0.0486 REM wR_ref = 0.1426 REM GOOF = 1.075 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 10720 REM Reflections_gt = 2992 REM Parameters = 255 REM Hole = -0.20 REM Peak = 0.35 REM Flack = n/a ; _cod_data_source_file d4sc02214a2.cif _cod_data_source_block cu_20230925_zm_hdlg_zmj_62_0m _cod_depositor_comments 'Adding full bibliography for 1571739--1571749.cif.' _cod_database_code 1571748 _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 0.935 _shelx_estimated_absorpt_t_min 0.923 _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: C4(H4A), C5(H5), C9(H9), C10(H10A), C11(H11) 2.b Idealised Me refined as rotating group: C1(H1A,H1B,H1C) 2.c Boron cage BH refined with riding coordinates: B1(H1), B2(H2), B3(H3), B4(H4), B5(H5A), B6(H6), B7(H7), B10(H10), C12(H12), C13(H13) ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group B1 B 0.8501(2) 0.20820(19) 0.42286(17) 0.0388(4) Uani 1 1 d . . . . . H1 H 0.851037 0.164569 0.519319 0.047 Uiso 1 1 calc R U . . . N1 N 0.55716(14) 0.26198(12) 0.19711(11) 0.0312(3) Uani 1 1 d . . . . . O1 O 0.26933(16) 0.60010(12) 0.15144(11) 0.0503(3) Uani 1 1 d . . . . . C1 C 0.1612(3) 0.7343(2) 0.2088(2) 0.0708(7) Uani 1 1 d . . . . . H1A H 0.109768 0.792630 0.149904 0.106 Uiso 1 1 calc R U . . . H1B H 0.225957 0.777035 0.225794 0.106 Uiso 1 1 calc R U . . . H1C H 0.075973 0.722492 0.288935 0.106 Uiso 1 1 calc R U . . . B2 B 1.0005(2) 0.12142(19) 0.27691(18) 0.0382(4) Uani 1 1 d . . . . . H2 H 1.100737 0.020582 0.276202 0.046 Uiso 1 1 calc R U . . . O2 O 0.32099(17) 0.52296(15) 0.33464(11) 0.0589(4) Uani 1 1 d . . . . . C2 C 0.34127(18) 0.50370(17) 0.22549(14) 0.0361(3) Uani 1 1 d . . . . . N2 N 0.73093(15) 0.01591(13) 0.36473(11) 0.0352(3) Uani 1 1 d . . . . . C3 C 0.43811(17) 0.37055(16) 0.15828(13) 0.0332(3) Uani 1 1 d . . . . . B3 B 0.9017(2) 0.16481(17) 0.16141(15) 0.0319(4) Uani 1 1 d . . . . . H3 H 0.939428 0.091231 0.085396 0.038 Uiso 1 1 calc R U . . . O3 O 0.71089(16) -0.09130(13) 0.08356(12) 0.0515(3) Uani 1 1 d . . . . . B4 B 0.8457(2) 0.34608(18) 0.12761(16) 0.0348(4) Uani 1 1 d . . . . . H4 H 0.846734 0.389419 0.030669 0.042 Uiso 1 1 calc R U . . . C4 C 0.40129(19) 0.32233(17) 0.07134(15) 0.0403(4) Uani 1 1 d . . . . . H4A H 0.327386 0.374929 0.029694 0.048 Uiso 1 1 calc R U . . . C5 C 0.4945(2) 0.18030(17) 0.05658(15) 0.0417(4) Uani 1 1 d . . . . . H5 H 0.493168 0.121002 0.003808 0.050 Uiso 1 1 calc R U . . . B5 B 0.9090(2) 0.41529(19) 0.22361(17) 0.0381(4) Uani 1 1 d . . . . . H5A H 0.950217 0.505416 0.190184 0.046 Uiso 1 1 calc R U . . . B6 B 0.6962(2) 0.43440(17) 0.27269(16) 0.0353(4) Uani 1 1 d . . . . . H6 H 0.599084 0.536759 0.271678 0.042 Uiso 1 1 calc R U . . . C6 C 0.58911(17) 0.14318(16) 0.13405(14) 0.0334(3) Uani 1 1 d . . . . . C7 C 0.67920(17) -0.00422(16) 0.16111(14) 0.0354(4) Uani 1 1 d . . . . . B7 B 0.6582(2) 0.30647(18) 0.39765(15) 0.0343(4) Uani 1 1 d . . . . . H7 H 0.536067 0.326825 0.477885 0.041 Uiso 1 1 calc R U . . . B8 B 0.7849(2) 0.13847(17) 0.32722(15) 0.0316(4) Uani 1 1 d . . . . . C8 C 0.70594(17) -0.05397(15) 0.28382(15) 0.0349(3) Uani 1 1 d . . . . . B9 B 0.68764(19) 0.27715(16) 0.23616(14) 0.0300(3) Uani 1 1 d . . . . . C9 C 0.6924(2) -0.17773(17) 0.34562(18) 0.0459(4) Uani 1 1 d . . . . . H9 H 0.675617 -0.245092 0.313011 0.055 Uiso 1 1 calc R U . . . B10 B 1.0039(2) 0.2765(2) 0.31619(18) 0.0406(4) Uani 1 1 d . . . . . H10 H 1.105639 0.277284 0.342724 0.049 Uiso 1 1 calc R U . . . C10 C 0.7082(2) -0.18413(19) 0.46504(18) 0.0508(4) Uani 1 1 d . . . . . H10A H 0.702749 -0.255636 0.527139 0.061 Uiso 1 1 calc R U . . . C11 C 0.7334(2) -0.06552(18) 0.47415(16) 0.0444(4) Uani 1 1 d . . . . . H11 H 0.749756 -0.043610 0.543891 0.053 Uiso 1 1 calc R U . . . C12 C 1.02018(18) 0.25255(16) 0.16544(14) 0.0365(4) Uani 1 1 d . . . . . H12 H 1.143218 0.235301 0.086950 0.044 Uiso 1 1 calc R U . . . C13 C 0.79895(19) 0.38071(16) 0.37973(14) 0.0372(4) Uani 1 1 d . . . . . H13 H 0.764452 0.454715 0.454451 0.045 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 B1 0.0496(10) 0.0404(9) 0.0359(8) -0.0018(7) -0.0229(7) -0.0177(8) N1 0.0328(6) 0.0306(6) 0.0319(6) -0.0074(5) -0.0137(5) -0.0081(5) O1 0.0574(7) 0.0384(7) 0.0465(6) -0.0082(5) -0.0252(5) 0.0016(5) C1 0.0783(15) 0.0425(11) 0.0704(13) -0.0181(9) -0.0326(11) 0.0133(10) B2 0.0373(9) 0.0345(9) 0.0475(9) -0.0043(7) -0.0218(7) -0.0096(7) O2 0.0611(8) 0.0595(8) 0.0409(7) -0.0179(6) -0.0219(6) 0.0047(6) C2 0.0317(7) 0.0404(8) 0.0344(7) -0.0060(6) -0.0124(6) -0.0082(6) N2 0.0402(7) 0.0322(7) 0.0357(6) -0.0013(5) -0.0153(5) -0.0136(5) C3 0.0310(7) 0.0351(8) 0.0331(7) -0.0037(6) -0.0122(5) -0.0095(6) B3 0.0322(8) 0.0327(8) 0.0323(8) -0.0086(6) -0.0100(6) -0.0113(7) O3 0.0579(7) 0.0435(7) 0.0553(7) -0.0224(6) -0.0215(6) -0.0105(6) B4 0.0416(9) 0.0346(9) 0.0322(8) -0.0023(6) -0.0151(7) -0.0152(7) C4 0.0415(8) 0.0432(9) 0.0456(8) -0.0028(7) -0.0250(7) -0.0144(7) C5 0.0496(9) 0.0435(9) 0.0444(8) -0.0076(7) -0.0242(7) -0.0190(7) B5 0.0446(9) 0.0359(9) 0.0399(9) -0.0048(7) -0.0162(7) -0.0180(8) B6 0.0396(9) 0.0292(8) 0.0391(9) -0.0078(7) -0.0167(7) -0.0089(7) C6 0.0347(7) 0.0351(8) 0.0345(7) -0.0082(6) -0.0126(6) -0.0133(6) C7 0.0329(7) 0.0348(8) 0.0403(8) -0.0119(6) -0.0105(6) -0.0122(6) B7 0.0395(8) 0.0349(9) 0.0308(8) -0.0083(6) -0.0120(6) -0.0131(7) B8 0.0358(8) 0.0301(8) 0.0318(8) -0.0036(6) -0.0148(6) -0.0107(7) C8 0.0325(7) 0.0290(7) 0.0420(8) -0.0080(6) -0.0114(6) -0.0091(6) B9 0.0338(8) 0.0291(8) 0.0287(7) -0.0062(6) -0.0126(6) -0.0091(6) C9 0.0481(9) 0.0314(8) 0.0614(10) -0.0020(7) -0.0208(8) -0.0161(7) B10 0.0448(10) 0.0434(10) 0.0451(9) -0.0037(8) -0.0243(8) -0.0179(8) C10 0.0571(10) 0.0410(9) 0.0581(10) 0.0122(8) -0.0243(8) -0.0231(8) C11 0.0512(9) 0.0445(9) 0.0404(8) 0.0062(7) -0.0204(7) -0.0187(8) C12 0.0360(7) 0.0381(8) 0.0389(8) -0.0075(6) -0.0127(6) -0.0148(6) C13 0.0457(8) 0.0380(8) 0.0342(7) -0.0097(6) -0.0166(6) -0.0151(7) 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 4 0 0 517.25 27.4 4 0 0 516.45 27.6 5 0 0 817.02 44.7 5 0 0 874.71 44.7 -6 0 0 120.59 6.8 6 0 0 120.19 7.1 6 0 0 124.09 7 -7 0 0 556.24 31.2 7 0 0 615.14 31.5 7 0 0 593.44 31.4 -8 0 0 77.49 4.4 8 0 0 73.29 4.7 -9 0 0 34.4 2.1 9 0 0 32.3 2.3 9 -1 0 4.4 0.7 8 -1 0 127.19 7.3 7 -1 0 52.19 3.5 7 -1 0 57.89 3.7 -7 1 0 47.9 3.2 6 -1 0 25.8 2.4 6 -1 0 31.8 2.3 -6 1 0 24.5 1.9 5 -1 0 0.1 0.6 5 -1 0 0.3 0.6 3 -1 0 49 2.8 3 -1 0 51.19 2.8 3 -1 0 50.69 2.9 0 -1 0 130.99 7.9 -1 -1 0 2284.67 121.29 3 1 0 555.44 30.5 3 1 0 582.04 30.1 -4 -1 0 22.2 1.3 4 1 0 20.7 1.6 4 1 0 19.1 1.7 4 1 0 16.2 1.7 4 1 0 19.5 1.4 5 1 0 631.44 31.9 5 1 0 562.94 32.2 -6 -1 0 45.3 2.9 6 1 0 47.6 3.1 6 1 0 42.3 3.1 6 1 0 47.7 2.8 6 1 0 50.79 3.2 6 1 0 46.2 4.5 -7 -1 0 90.99 5.4 -7 -1 0 90.09 5.6 7 1 0 99.79 5.7 7 1 0 94.99 5.2 7 1 0 86.29 6.5 -8 -1 0 10.8 1.1 -8 -1 0 9 1.2 8 1 0 8.1 1.2 -9 -1 0 60.39 3.4 9 1 0 54.69 3.5 8 -2 0 0.6 0.7 7 -2 0 14 1.6 -7 2 0 16.2 1.5 6 -2 0 410.16 22.3 6 -2 0 412.56 22.3 5 -2 0 587.74 31.4 3 -2 0 230.88 12.3 0 -2 0 769.02 41.4 0 -2 0 745.83 41.3 -1 -2 0 6807.12 357.96 -2 -2 0 3834.02 204.28 -3 -2 0 9999 527.85 4 2 0 1404.56 73.89 5 2 0 607.74 32.5 -6 -2 0 141.89 7.8 -6 -2 0 126.79 7.7 6 2 0 146.19 7.8 6 2 0 135.99 7.9 6 2 0 145.29 7.7 6 2 0 144.29 8.4 -7 -2 0 305.47 17.6 -7 -2 0 334.47 17.4 7 2 0 323.47 17.6 7 2 0 331.77 17.5 7 2 0 331.77 17.2 7 2 0 328.57 17.4 7 2 0 297.67 17.8 -8 -2 0 34 2.8 -8 -2 0 34.1 2.6 8 2 0 28.8 2.4 -9 -2 0 8.1 0.9 9 2 0 6.1 0.9 10 2 0 10.7 0.8 8 -3 0 -0.2 0.5 7 -3 0 123.79 7.2 6 -3 0 247.98 14.4 6 -3 0 280.27 14.6 5 -3 0 17.3 1.6 5 -3 0 19.3 2.7 -5 3 0 14.6 1.2 4 -3 0 38.5 2.6 4 -3 0 37.6 3.3 4 -3 0 35.8 2.4 -4 3 0 32.3 2 3 -3 0 0.6 0.5 1 -3 0 2.2 0.3 -1 3 0 2.1 0.2 -1 3 0 2.1 0.3 0 -3 0 20.5 1.2 0 -3 0 22.9 4.8 0 -3 0 22.5 4 0 3 0 22.4 1.3 0 3 0 19.4 1.2 -1 -3 0 11 0.8 -1 -3 0 9.9 3.7 1 3 0 11.5 0.9 -2 -3 0 78.59 4.3 -2 -3 0 80.59 9.9 2 3 0 82.89 4.6 2 3 0 80.49 4.5 2 3 0 72.49 4.4 -3 -3 0 81.59 12.7 -3 -3 0 75.79 4.2 3 3 0 77.49 4.3 3 3 0 71.19 4.3 3 3 0 75.89 4.1 3 3 0 74.09 4.5 -4 -3 0 189.38 27.6 -4 -3 0 213.18 11.3 4 3 0 216.78 11.5 4 3 0 214.48 11.3 4 3 0 203.38 11.7 -5 -3 0 154.18 8.5 5 3 0 153.78 8.8 5 3 0 156.28 9 5 3 0 157.28 8.5 -6 -3 0 83.29 5 -6 -3 0 87.79 5.1 6 3 0 90.89 5 6 3 0 91.29 5.7 6 3 0 91.99 5.8 6 3 0 83.19 5.2 -7 -3 0 13.6 1.4 -7 -3 0 15.6 1.7 7 3 0 14.6 2.2 7 3 0 13.8 1.5 7 3 0 17.3 2 7 3 0 13.1 1.3 -8 -3 0 21 1.7 -8 -3 0 18.4 1.9 8 3 0 20.7 1.7 8 3 0 19.4 1.6 8 3 0 18.3 2 -9 -3 0 7.5 1 9 3 0 9.6 1.1 -10 -3 0 21.4 1.4 10 3 0 17.5 1.4 7 -4 0 27.2 2.2 5 -4 0 3.2 1.8 5 -4 0 2.8 1.1 5 -4 0 3.1 0.9 4 -4 0 1.8 0.7 4 -4 0 2.1 1.1 4 -4 0 3.1 0.9 3 -4 0 354.96 19.7 3 -4 0 339.07 19.5 3 -4 0 405.76 20.8 -2 4 0 0.6 0.3 0 -4 0 70.59 4 0 -4 0 72.29 10.6 0 4 0 73.99 4 0 4 0 80.89 4.1 -1 -4 0 1438.16 79.79 -2 -4 0 43.2 7.7 -2 -4 0 37.4 2.4 2 4 0 38.5 2.5 2 4 0 41 2.5 -3 -4 0 1567.74 87.69 3 4 0 1490.15 80.19 -4 -4 0 124.19 19.3 -4 -4 0 104.89 6.1 4 4 0 115.19 6.7 4 4 0 109.19 6.4 -5 -4 0 548.35 63.49 5 4 0 580.74 30 5 4 0 546.45 30.7 5 4 0 598.24 30.4 5 4 0 552.44 30 -6 -4 0 552.04 29.4 -6 -4 0 554.54 29.5 6 4 0 559.94 30.3 6 4 0 579.94 30.1 6 4 0 569.04 29.4 6 4 0 519.35 29.5 -7 -4 0 221.98 13 -7 -4 0 249.68 12.8 7 4 0 227.28 13.8 7 4 0 248.38 12.9 7 4 0 235.88 13.4 7 4 0 234.98 12.9 -8 -4 0 32 2.7 -8 -4 0 38.8 2.5 8 4 0 35.8 2.4 8 4 0 33.2 2.4 8 4 0 38 3.2 8 4 0 35.4 3 -9 -4 0 73.79 3.9 9 4 0 62.39 3.8 9 4 0 62.29 3.9 -10 -4 0 22.8 1.6 7 -5 0 20 1.5 6 -5 0 0.2 0.7 6 -5 0 0.1 0.9 5 -5 0 77.59 5.1 5 -5 0 84.89 7.7 4 -5 0 31.5 2.5 4 -5 0 28.8 3.5 3 -5 0 452.25 25.4 3 -5 0 497.15 26.7 2 -5 0 17.2 3.2 2 -5 0 15.8 1.3 -2 5 0 18.3 1.2 -1 5 0 7.6 0.8 0 -5 0 46.2 9.5 0 -5 0 40.9 7.1 0 5 0 38 2.4 -1 -5 0 23.3 6.2 -1 -5 0 9.7 14 1 5 0 16.8 1.4 -2 -5 0 2020.8 106.69 2 5 0 1800.82 100.09 -3 -5 0 403.46 23 -3 -5 0 455.25 32.4 3 5 0 457.25 23.6 3 5 0 441.56 23.3 3 5 0 422.26 23.1 -4 -5 0 96.09 5.5 -4 -5 0 81.09 16.5 4 5 0 94.29 5.6 4 5 0 98.39 6.1 4 5 0 96.89 5.8 -5 -5 0 375.76 43.4 -5 -5 0 381.06 21 -5 -5 0 427.56 21.4 5 5 0 364.16 21.7 5 5 0 402.76 21 5 5 0 400.96 21.4 -6 -5 0 477.95 26.2 -6 -5 0 485.05 26.1 -6 -5 0 480.75 25.9 6 5 0 491.25 26.1 6 5 0 470.65 27 6 5 0 538.95 27.2 -7 -5 0 60.39 3.6 7 5 0 58.89 4.3 7 5 0 55.79 4.7 7 5 0 58.99 3.7 -8 -5 0 34.6 2.3 8 5 0 29.5 2.9 8 5 0 37.7 3.2 8 5 0 33.1 2.4 -9 -5 0 73.29 4.1 9 5 0 64.69 4 -10 -5 0 1.2 0.5 6 -6 0 6.1 0.9 5 -6 0 2.4 2.9 5 -6 0 3 0.8 4 -6 0 35.1 4.1 4 -6 0 28.6 2.5 3 -6 0 11.3 1.4 3 -6 0 12 2.4 2 -6 0 449.95 25.4 2 -6 0 512.95 26.8 -2 6 0 465.25 25.2 1 -6 0 1.9 1.2 -1 6 0 0.3 0.5 0 -6 0 12 2 0 -6 0 7.7 5.9 0 6 0 11.1 1.2 -1 -6 0 1344.57 89.99 -1 -6 0 1607.54 85.49 -2 -6 0 764.42 48.5 -3 -6 0 4.4 8.7 -4 -6 0 1054.29 54.69 4 6 0 1025.4 55.59 -5 -6 0 64.49 3.6 -5 -6 0 49.9 22 -5 -6 0 57.69 3.8 -5 -6 0 62.19 3.7 5 6 0 63.29 3.8 5 6 0 56.59 4 5 6 0 69.99 4.6 5 6 0 59.99 3.5 5 6 0 57.69 4.2 -6 -6 0 258.57 15.3 -6 -6 0 291.67 15.3 6 6 0 272.47 15.8 6 6 0 271.77 16.3 6 6 0 311.47 15.3 -7 -6 0 279.37 16.1 -7 -6 0 314.97 15.8 -7 -6 0 307.97 16.1 7 6 0 272.77 17.1 7 6 0 287.47 16.7 7 6 0 302.77 16 -8 -6 0 16.9 1.5 8 6 0 15.8 1.6 8 6 0 22.1 2.3 8 6 0 16.2 2.2 -9 -6 0 45.5 2.8 9 6 0 43.6 2.8 -10 -6 0 20.8 1.4 10 6 0 19.2 1.2 5 -7 0 19.4 3.1 5 -7 0 19.9 1.5 4 -7 0 7.8 3 4 -7 0 8.7 1.1 3 -7 0 2.9 1.8 2 -7 0 4.9 1.9 1 -7 0 182.08 11.1 -1 7 0 162.28 9.5 0 -7 0 109.69 11 0 -7 0 113.89 6.6 0 -7 0 98.19 12.4 0 -7 0 136.29 8.2 0 7 0 123.09 6.9 -1 -7 0 57.09 11.4 -1 -7 0 46 3.8 -1 -7 0 41.5 2.7 1 7 0 42.2 2.9 -2 -7 0 154.38 8.4 -2 -7 0 176.58 20.2 -2 -7 0 160.48 9.4 2 7 0 145.99 8.2 2 7 0 147.29 8.6 -3 -7 0 244.98 25.1 -3 -7 0 234.18 12.4 3 7 0 224.18 12.3 3 7 0 227.28 12.7 -4 -7 0 117.19 20.5 -4 -7 0 111.29 5.9 4 7 0 102.79 5.8 4 7 0 96.79 6.2 -5 -7 0 -5.1 19.6 -5 -7 0 20.6 1.5 -5 -7 0 21.3 1.8 5 7 0 20.9 2.1 5 7 0 21.6 1.5 5 7 0 20.3 1.8 5 7 0 22.4 2.5 -6 -7 0 -45.4 36.7 -6 -7 0 0.7 0.5 -6 -7 0 -0.3 0.6 6 7 0 -0.6 0.5 6 7 0 0.1 0.4 6 7 0 0.1 0.5 -7 -7 0 1.4 0.8 -7 -7 0 2.3 0.7 7 7 0 0.7 1 7 7 0 1 0.8 7 7 0 3.9 0.9 -8 -7 0 1.9 0.6 -8 -7 0 2.4 0.8 8 7 0 3.3 0.8 9 7 0 223.48 12.1 4 -8 0 12.2 3.1 3 -8 0 3.1 2.4 2 -8 0 88.69 6.8 1 -8 0 92.19 6.7 -1 8 0 82.39 5.2 0 -8 0 76.09 5.7 0 8 0 68.19 4.6 -1 -8 0 375.56 20.2 -1 -8 0 425.06 22.3 -1 -8 0 358.96 29.5 1 8 0 374.96 20.5 1 8 0 355.76 20.1 -2 -8 0 11.3 11.2 -2 -8 0 11.7 2.1 -2 -8 0 11.9 1.1 2 8 0 7.6 1.3 2 8 0 9.5 1 -3 -8 0 1.3 1 -3 -8 0 2.1 0.7 -3 -8 0 1.5 11.6 3 8 0 0.8 0.5 3 8 0 1.5 0.9 -4 -8 0 14.6 15.2 -4 -8 0 22.3 1.8 4 8 0 21.9 1.7 4 8 0 22.2 1.9 4 8 0 20.3 2.3 -5 -8 0 1290.87 85.39 -5 -8 0 1272.47 64.69 5 8 0 1175.28 65.09 5 8 0 1209.38 64.79 -6 -8 0 -59.29 37.9 -6 -8 0 1 0.7 6 8 0 0 0.5 6 8 0 0.6 0.7 -7 -8 0 49.8 3 -7 -8 0 56.39 3.4 -8 -8 0 26.3 2 8 8 0 24.7 2 -9 -8 0 18.6 1.6 9 8 0 18.9 1.5 3 -9 0 10.4 2.7 2 -9 0 44.9 5.1 1 -9 0 50.49 4.8 0 -9 0 255.37 14.7 0 9 0 233.58 13 0 9 0 240.08 13.4 -1 -9 0 256.27 14.3 -1 -9 0 220.28 12.7 1 9 0 234.08 13.2 1 9 0 237.88 12.7 -2 -9 0 11.8 12.7 -2 -9 0 14.1 1.4 -2 -9 0 15.3 2.4 2 9 0 13.4 1.3 2 9 0 16.7 1.9 -3 -9 0 112.99 7.4 -3 -9 0 112.29 6.4 -3 -9 0 112.09 20.8 3 9 0 113.79 6.3 3 9 0 110.49 6.9 -4 -9 0 147.89 8.1 -4 -9 0 115.79 22.8 4 9 0 144.99 7.9 -5 -9 0 124.09 6.9 -5 -9 0 89.19 26.1 5 9 0 122.39 7.4 5 9 0 120.59 6.7 5 9 0 117.19 7 -6 -9 0 -2.4 37 -6 -9 0 5.2 0.9 6 9 0 3.9 0.6 6 9 0 5.1 1.1 -7 -9 0 3.5 0.8 7 9 0 2.7 0.8 -8 -9 0 68.99 4.3 8 9 0 73.49 4.3 -9 -9 0 52.49 3.2 9 9 0 52.89 3.2 2 -10 0 25.1 3.4 1 -10 0 39.7 4.6 -1 10 0 37 2.3 0 -10 0 1.7 1.9 0 10 0 3.3 0.7 -1 -10 0 18.5 3.2 1 10 0 19 1.5 -2 -10 0 112.09 6.4 -2 -10 0 116.19 7.8 2 10 0 120.19 6.5 -3 -10 0 1.4 0.7 -3 -10 0 1.1 1.4 -3 -10 0 0.5 16.2 3 10 0 1 0.6 -4 -10 0 39.8 2.7 -4 -10 0 32.6 20.5 4 10 0 40.2 2.6 -5 -10 0 -10.5 25.7 -6 -10 0 1.8 0.7 6 10 0 2.2 0.8 6 10 0 3 0.5 -7 -10 0 28.4 2.1 7 10 0 27 2.1 -8 -10 0 30.8 2.1 8 10 0 31.1 2.1 1 -11 0 36.3 3.1 0 -11 0 29.6 3.1 0 11 0 30.9 1.9 -1 -11 0 5.5 1.7 1 11 0 6.4 0.8 -2 -11 0 7.1 1.6 2 11 0 9.4 0.9 -3 -11 0 69.09 4.1 3 11 0 76.79 4.2 -4 -11 0 120.39 7 4 11 0 129.69 6.9 -5 -11 0 58.59 3.6 5 11 0 62.69 3.5 6 11 0 88.29 5.1 6 11 0 85.89 4.7 -7 -11 0 60.79 3.6 7 11 0 62.89 3.7 2 12 0 2.9 0.5 3 12 0 10.1 0.9 4 12 0 7.3 0.7 -5 -12 0 58.09 3.4 5 12 0 61.59 3.3 4 12 -1 1.8 0.4 3 12 -1 -0.1 0.4 2 12 -1 0 0.4 7 11 -1 28.8 1.9 -7 -11 1 28.8 1.9 6 11 -1 146.19 8.3 -6 -11 1 153.48 8.2 5 11 -1 15.9 1.2 -5 -11 1 14 1.4 4 11 -1 0.9 0.5 -4 -11 1 0.9 0.6 3 11 -1 2 0.6 -3 -11 1 1.5 0.6 2 11 -1 19.6 1.5 -2 -11 1 17.1 2.1 1 11 -1 130.69 6.8 -1 -11 1 118.29 7.7 0 11 -1 1.9 0.5 0 -11 1 1.6 1.1 -1 11 -1 79.69 4.8 1 -11 1 93.59 5.7 8 10 -1 0.5 0.5 -8 -10 1 0.5 0.6 7 10 -1 1 0.6 -7 -10 1 2.1 0.7 6 10 -1 0.4 0.7 -6 -10 1 0.1 0.5 5 10 -1 40.9 3 5 10 -1 42.6 2.6 -5 -10 1 42.6 2.8 -4 -10 1 -34.1 41.3 3 10 -1 119.69 6.5 -3 -10 1 116.59 6.6 -3 -10 1 81.69 23 2 10 -1 174.68 9 -2 -10 1 164.68 9.1 -2 -10 1 123.39 22.3 -2 -10 1 162.88 10.2 1 10 -1 6.1 0.9 -1 -10 1 6.3 2 0 10 -1 10 1.1 0 -10 1 10.4 2.5 -1 10 -1 4 0.7 1 -10 1 3.7 1.7 2 -10 1 71.79 5.2 8 9 -1 15.8 1.4 -8 -9 1 11.2 1.2 7 9 -1 60.89 3.8 -7 -9 1 60.49 3.8 -6 -9 1 -40.8 65.89 5 9 -1 33.8 2.6 5 9 -1 39.8 3.3 -5 -9 1 42.9 29.5 -5 -9 1 38.4 2.7 4 9 -1 20.5 2 4 9 -1 21.4 2.4 4 9 -1 22.2 1.7 -4 -9 1 19.5 20.7 -4 -9 1 22.9 1.9 3 9 -1 280.97 14.6 3 9 -1 263.87 15.2 -3 -9 1 294.37 43.1 -3 -9 1 267.97 14.8 2 9 -1 43 2.7 2 9 -1 42.8 3.3 -2 -9 1 41.9 2.8 -2 -9 1 30 18.9 -2 -9 1 41.9 4.1 1 9 -1 32 2.2 1 9 -1 30.5 2.7 -1 -9 1 35.1 4 -1 -9 1 30.4 27.6 -1 -9 1 31.1 2.2 -1 -9 1 21 12.4 0 9 -1 133.49 7.2 0 9 -1 115.59 7.4 0 -9 1 129.39 8.8 -1 9 -1 16 1.4 1 -9 1 14.4 3.2 2 -9 1 7.3 2.7 3 -9 1 25.1 4 4 -9 1 87.39 5.7 9 8 -1 17.6 1.4 8 8 -1 1.8 0.7 -8 -8 1 0 0.6 7 8 -1 68.29 4.4 -7 -8 1 72.19 4.4 6 8 -1 184.08 10.3 -6 -8 1 182.28 10.2 5 8 -1 105.89 6.4 5 8 -1 107.89 6 -5 -8 1 59.09 30.7 -5 -8 1 111.09 6.3 4 8 -1 330.57 17.2 4 8 -1 306.67 17.8 -4 -8 1 324.27 17.4 -4 -8 1 358.36 39.3 3 8 -1 360.46 19.3 3 8 -1 361.46 19.8 -3 -8 1 342.67 36.9 -3 -8 1 373.76 19.5 2 8 -1 109.69 6.9 2 8 -1 119.39 6.7 -2 -8 1 115.49 6.7 -2 -8 1 121.39 7.8 -2 -8 1 116.09 19.5 1 8 -1 151.68 8 1 8 -1 139.19 8.3 -1 -8 1 149.79 21.2 -1 -8 1 151.48 8.1 -1 -8 1 130.69 10.4 0 8 -1 437.86 23.5 0 -8 1 399.26 22.9 0 -8 1 463.05 24.6 -1 8 -1 305.47 17.4 1 -8 1 338.57 19 2 -8 1 24.2 4 3 -8 1 104.79 8.5 4 -8 1 153.78 10 5 -8 1 5 1.3 9 7 -1 20 1.6 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21.7 -3 7 -4 144.79 7.8 -3 7 -4 135.99 8.4 3 -7 4 150.48 8 3 -7 4 128.99 10.2 -4 7 -4 1.2 0.6 4 -7 4 2.2 0.7 4 -7 4 1 1.5 5 -7 4 -0.1 0.4 5 -7 4 -0.2 1.1 6 -7 4 -0.2 0.9 8 6 -4 9.4 0.9 -8 -6 4 8 0.8 7 6 -4 49.2 3.2 -7 -6 4 50.99 3 6 6 -4 19.2 1.9 -6 -6 4 17.5 1.6 -6 -6 4 21.1 2.1 5 6 -4 24.8 2.3 5 6 -4 21.1 3 5 6 -4 28.4 3.2 -5 -6 4 29 2.4 -5 -6 4 25.3 2 4 6 -4 58.69 3.6 4 6 -4 68.69 4.3 4 6 -4 69.79 5.6 -4 -6 4 54.79 47.2 -4 -6 4 67.19 4.3 -4 -6 4 66.89 3.9 3 6 -4 175.38 10.4 3 6 -4 188.48 10.4 3 6 -4 178.58 12.2 -3 -6 4 192.28 10 -3 -6 4 198.38 40.1 2 6 -4 32.3 2.6 2 6 -4 36 2.3 2 6 -4 33 2.7 -2 -6 4 31.9 2.5 -2 -6 4 27.6 21.4 1 6 -4 96.19 5.3 1 6 -4 91.69 5.6 -1 -6 4 95.79 22.3 -1 -6 4 93.19 6.8 -1 -6 4 89.39 5.5 0 6 -4 414.26 22.6 0 6 -4 440.26 22.8 0 -6 4 452.15 24.3 0 -6 4 413.86 22.8 0 -6 4 363.46 36.9 -1 6 -4 24.7 2 -1 6 -4 21.5 1.7 1 -6 4 20.5 1.9 1 -6 4 17.1 12.3 1 -6 4 22.3 3.2 -2 6 -4 84.49 4.8 -2 6 -4 69.39 4.5 2 -6 4 78.39 4.8 2 -6 4 83.29 6.3 2 -6 4 53.99 11.7 -3 6 -4 33.6 2.4 -3 6 -4 28.5 2.2 3 -6 4 32.7 4.2 3 -6 4 29.1 2.4 -4 6 -4 4.1 0.9 4 -6 4 4.5 2 4 -6 4 4.9 1 5 -6 4 0.4 1.3 5 -6 4 -0.2 0.6 6 -6 4 9.5 1.9 6 -6 4 12.1 1.2 8 5 -4 1.1 0.4 -8 -5 4 1.3 0.5 7 5 -4 -0.2 0.6 7 5 -4 0.1 0.4 -7 -5 4 0.5 0.6 6 5 -4 2 1 6 5 -4 0.5 0.5 6 5 -4 0.3 1.3 -6 -5 4 0.8 0.7 5 5 -4 133.29 9.2 5 5 -4 142.59 8.1 5 5 -4 136.59 7.9 5 5 -4 151.28 9.6 -5 -5 4 133.79 7.9 -5 -5 4 139.39 7.8 -5 -5 4 142.59 8.2 4 5 -4 146.79 9.9 4 5 -4 152.18 8.9 4 5 -4 165.78 10.4 4 5 -4 171.08 9.5 -4 -5 4 162.58 9.1 -4 -5 4 161.18 9 -4 -5 4 157.78 8.8 3 5 -4 4.2 1 3 5 -4 1.4 1.2 3 5 -4 8.1 1.7 3 5 -4 3.7 1 3 5 -4 3.7 0.7 -3 -5 4 4.5 0.8 -3 -5 4 4 1 -3 -5 4 -10.6 27.2 -3 -5 4 5.6 0.8 2 5 -4 628.94 35.7 2 5 -4 650.73 34.4 2 5 -4 643.64 34.3 2 5 -4 659.43 34 -2 -5 4 675.93 34.1 -2 -5 4 613.84 34 -2 -5 4 642.34 51.69 -2 -5 4 646.44 34.3 1 5 -4 232.08 12.6 -1 -5 4 221.48 28.4 0 5 -4 879.61 47.9 0 -5 4 954.5 49.5 0 -5 4 889.91 61.69 -1 5 -4 6.3 0.8 -1 5 -4 4.8 0.9 1 -5 4 4.2 0.8 1 -5 4 3.4 10.5 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4 3 3 -4 63.59 5 3 3 -4 66.19 4.4 3 3 -4 63.69 3.8 3 3 -4 63.59 4.6 -3 -3 4 72.59 3.7 -3 -3 4 56.99 3.8 2 3 -4 0.1 0.4 2 3 -4 1 1.2 2 3 -4 0.5 0.9 2 3 -4 -0.5 0.6 -2 -3 4 -1.3 17.6 -2 -3 4 0.7 0.4 1 3 -4 287.07 17.3 1 3 -4 286.17 16.9 1 3 -4 282.07 16.4 1 3 -4 330.17 16.4 -1 -3 4 314.27 29.5 -1 -3 4 339.57 16.2 0 3 -4 150.48 9.2 0 3 -4 163.48 8.4 0 3 -4 133.59 8.9 0 -3 4 163.98 8.2 0 -3 4 147.19 20.4 -1 3 -4 455.45 25.1 -2 3 -4 364.86 18.8 2 -3 4 360.76 27.5 2 -3 4 338.47 19.6 -3 3 -4 220.18 12 3 -3 4 227.88 12.4 3 -3 4 216.28 19.9 -4 3 -4 1.4 0.6 4 -3 4 6.6 5 4 -3 4 1.5 1.4 4 -3 4 0.2 0.4 4 -3 4 1.9 0.5 -5 3 -4 107.09 6.4 5 -3 4 112.89 6.5 5 -3 4 115.29 8 -6 3 -4 233.58 13.2 6 -3 4 243.48 14.9 6 -3 4 253.27 13.5 7 -3 4 0.4 1.2 7 -3 4 1.2 0.7 -8 3 -4 32.8 2.2 8 -3 4 36.3 2.5 8 2 -4 0.1 0.4 -8 -2 4 0.1 0.5 7 2 -4 1.7 0.7 -7 -2 4 1.2 0.7 6 2 -4 189.38 10.6 6 2 -4 175.28 11.1 6 2 -4 193.98 10.5 6 2 -4 185.38 10.4 6 2 -4 181.88 10.9 -6 -2 4 200.38 10.5 -6 -2 4 200.68 10.4 5 2 -4 8 1.1 5 2 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4.4 6 2 4 73.19 11.4 -7 -2 -4 87.49 5.5 -7 -2 -4 90.09 5.8 7 2 4 96.19 5.6 7 2 4 105.19 5.7 7 2 4 96.49 5.5 7 2 4 104.49 6 -8 -2 -4 21.3 2.2 -8 -2 -4 23.4 1.9 8 2 4 21.6 1.9 8 2 4 25 1.7 8 2 4 25.2 2 8 2 4 24.9 2.2 -9 -2 -4 0.2 0.6 9 2 4 0.7 0.4 9 2 4 2 0.7 10 2 4 2.1 0.6 6 -3 -4 0.2 0.6 5 -3 -4 23 2.1 4 -3 -4 82.99 5.2 4 -3 -4 81.29 5.3 -4 3 4 88.39 4.7 3 -3 -4 164.68 8.8 3 -3 -4 150.18 9.8 3 -3 -4 149.99 8.6 -3 3 4 152.08 8.3 2 -3 -4 62.99 3.7 2 -3 -4 62.89 4.4 -2 3 4 51.79 3.3 1 -3 -4 419.76 24 1 -3 -4 502.75 28.5 0 -3 -4 269.67 14.7 0 -3 -4 267.37 14.9 0 -3 -4 297.47 14.7 0 -3 -4 287.57 23.5 0 3 4 256.97 14.5 -1 -3 -4 596.14 45.1 -1 -3 -4 688.83 34.9 -2 -3 -4 394.66 21.9 -2 -3 -4 422.56 22.5 -2 -3 -4 434.16 22.3 2 3 4 409.76 38.6 -3 -3 -4 107.19 6.1 -3 -3 -4 105.19 6.4 -3 -3 -4 97.49 5.8 3 3 4 100.39 15.3 3 3 4 107.59 5.8 -4 -3 -4 147.29 8.4 -4 -3 -4 155.18 8.9 -4 -3 -4 139.89 8.9 4 3 4 144.59 17.5 4 3 4 155.78 8.2 -5 -3 -4 207.88 11.9 -5 -3 -4 220.78 12.4 -5 -3 -4 231.78 12.7 5 3 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10.8 -5 -4 -4 205.88 11.2 5 4 4 194.78 21.3 -6 -4 -4 287.17 15.8 -6 -4 -4 285.87 16 -6 -4 -4 309.97 17.2 6 4 4 294.37 15.8 6 4 4 308.97 26.8 -7 -4 -4 143.89 8.1 -7 -4 -4 140.19 8.4 7 4 4 151.58 8.4 7 4 4 151.58 8.8 7 4 4 143.29 8.1 -8 -4 -4 124.69 6.8 -8 -4 -4 113.59 7.3 8 4 4 126.19 6.8 8 4 4 119.59 7.5 -9 -4 -4 0.4 0.9 -9 -4 -4 1.4 0.7 9 4 4 0.8 0.5 9 4 4 0.8 0.9 -10 -4 -4 7 0.9 10 4 4 6 0.7 -11 -4 -4 -0.1 0.4 5 -5 -4 0.7 0.6 4 -5 -4 21 2.5 4 -5 -4 22.2 1.9 3 -5 -4 23.3 2 3 -5 -4 24.8 2.1 3 -5 -4 25.5 3.1 2 -5 -4 185.28 9.8 2 -5 -4 191.88 9.9 2 -5 -4 169.48 12.4 -2 5 4 159.28 9.4 1 -5 -4 127.09 9 1 -5 -4 138.69 7.5 1 -5 -4 143.99 7.6 -1 5 4 128.79 7.4 0 -5 -4 3 4.4 0 -5 -4 5.2 0.8 0 -5 -4 6.4 3.6 0 -5 -4 4.1 1.6 0 5 4 4.2 0.7 -1 -5 -4 10.3 1.3 -1 -5 -4 6.9 13.2 -1 -5 -4 10.6 1.5 -1 -5 -4 9.7 1 1 5 4 9.9 1.1 -2 -5 -4 103.99 5.9 -2 -5 -4 99.39 6.1 2 5 4 96.99 5.7 -3 -5 -4 445.76 24.6 -3 -5 -4 445.76 23.9 -3 -5 -4 466.75 24.4 -4 -5 -4 351.66 19.4 -4 -5 -4 361.36 19.2 -4 -5 -4 333.47 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18.6 -3 -6 -4 348.47 18.8 3 6 4 361.96 19 -4 -6 -4 362.76 19.9 4 6 4 392.06 20.1 4 6 4 364.86 19.7 -5 -6 -4 742.23 37.7 -5 -6 -4 714.93 37.8 -5 -6 -4 656.93 38.3 5 6 4 731.03 38.1 5 6 4 733.73 37.9 -6 -6 -4 350.96 44.5 -6 -6 -4 384.36 20.4 -6 -6 -4 392.66 20.2 -6 -6 -4 352.86 20.7 6 6 4 392.76 20.1 6 6 4 398.46 21.2 6 6 4 387.66 20.4 6 6 4 394.36 20.9 6 6 4 353.76 20.7 -7 -6 -4 20.8 2.3 -7 -6 -4 23.3 1.7 7 6 4 20.5 2.2 7 6 4 23.9 1.8 -8 -6 -4 109.29 6 -8 -6 -4 94.99 6.5 -8 -6 -4 103.19 6.1 8 6 4 100.49 6.6 8 6 4 118.79 7.3 8 6 4 110.09 6.1 -9 -6 -4 45.4 2.8 -9 -6 -4 44.1 2.9 9 6 4 46.9 2.9 9 6 4 41.5 3.5 -10 -6 -4 26.3 1.7 10 6 4 23.9 1.7 -11 -6 -4 54.29 2.9 11 6 4 48.2 2.8 4 -7 -4 14 2.4 3 -7 -4 49.9 4.1 2 -7 -4 189.08 11.9 -1 7 4 403.96 21.5 0 -7 -4 11.6 2.7 0 7 4 9.1 1.2 -1 -7 -4 107.09 5.6 -1 -7 -4 99.19 7.6 1 7 4 104.19 6.1 -2 -7 -4 25.8 3.3 -2 -7 -4 29 8.9 2 7 4 29 2.3 -3 -7 -4 445.26 28.2 -3 -7 -4 547.85 26.9 -3 -7 -4 508.85 37.1 3 7 4 502.75 26.7 3 7 4 536.45 27.2 -4 -7 -4 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-10 120.09 7.3 6 4 10 121.09 7.8 -7 -4 -10 0.6 0.7 7 4 10 1.2 0.8 -8 -4 -10 1.2 0.5 -8 -4 -10 0.4 0.6 8 4 10 0.2 0.6 -9 -4 -10 9.5 1.2 -9 -4 -10 8.9 0.8 9 4 10 6 0.9 10 4 10 43.2 2.5 1 -5 -10 16 1.7 -1 5 10 16.7 1.3 0 -5 -10 111.39 8.5 0 5 10 125.09 6.6 -1 -5 -10 2.6 0.5 1 5 10 1.3 0.7 -2 -5 -10 50.39 4.5 -2 -5 -10 50.29 3.1 2 5 10 47.5 3.1 -3 -5 -10 36.9 2.7 -3 -5 -10 37.9 4 -3 -5 -10 41.8 3.4 -3 -5 -10 31.4 2.8 3 5 10 30.3 2.7 3 5 10 34 2.7 -4 -5 -10 145.79 8.4 -4 -5 -10 156.18 9.6 -4 -5 -10 142.79 9.3 4 5 10 156.78 8.2 4 5 10 147.59 8.9 -5 -5 -10 132.19 8.1 -5 -5 -10 159.18 9 -5 -5 -10 136.79 9.2 5 5 10 141.49 7.9 5 5 10 134.99 8 -6 -5 -10 0.9 0.8 -6 -5 -10 -0.1 0.8 6 5 10 1.6 0.8 6 5 10 2.2 0.4 -7 -5 -10 30.6 2.3 7 5 10 29.6 2.3 -8 -5 -10 29.3 2.2 8 5 10 29.9 2.2 -9 -5 -10 49.99 3.1 9 5 10 50.89 3.3 10 5 10 23.6 1.5 0 -6 -10 117.29 7.4 0 6 10 114.29 6.3 -1 -6 -10 16.8 2.7 1 6 10 18.1 1.4 -2 -6 -10 7.3 0.8 2 6 10 6.1 0.9 -3 -6 -10 14.1 1.3 3 6 10 12.8 1.3 -4 -6 -10 58.69 3.6 -4 -6 -10 55.29 5.3 -4 -6 -10 62.09 4.5 4 6 10 58.29 3.5 -5 -6 -10 284.07 15.9 -5 -6 -10 293.77 17.3 5 6 10 288.07 16 5 6 10 308.37 15.6 -6 -6 -10 73.49 5.8 -6 -6 -10 69.79 4.5 6 6 10 81.69 4.1 6 6 10 71.09 4.6 -7 -6 -10 110.99 6.4 7 6 10 114.49 6.5 -8 -6 -10 133.89 7.8 8 6 10 145.99 7.8 -9 -6 -10 13.9 1.2 9 6 10 12.1 1.2 -10 -6 -10 0.7 0.5 10 6 10 0.6 0.4 -1 -7 -10 0.3 1.1 1 7 10 -0.6 0.4 -2 -7 -10 25.3 3.4 2 7 10 30.2 1.9 -3 -7 -10 87.39 4.9 -3 -7 -10 81.29 6.7 3 7 10 92.09 4.9 -4 -7 -10 42.2 2.7 4 7 10 43.5 2.6 -5 -7 -10 8.4 1 5 7 10 8.2 0.8 -6 -7 -10 4.6 0.8 6 7 10 4.3 0.5 6 7 10 3.1 0.9 -7 -7 -10 60.99 3.8 7 7 10 61.29 4 7 7 10 63.59 3.4 -8 -7 -10 5.6 0.9 8 7 10 4.9 0.8 9 7 10 19.8 1.5 -2 -8 -10 2.3 1.3 2 8 10 2.2 0.4 -4 -8 -10 10.9 2.3 4 8 10 9.6 0.9 -5 -8 -10 0.8 0.5 -5 -8 -10 0.6 1.2 5 8 10 1.1 0.4 -6 -8 -10 9.8 2.4 -6 -8 -10 10.3 1 6 8 10 10.6 0.9 -7 -8 -10 52.39 3.1 -7 -8 -10 43.2 3.7 7 8 10 54.09 3.1 7 8 10 51.59 2.8 8 8 10 52.89 3.1 -9 -8 -10 86.69 4.7 9 8 10 80.89 4.9 -3 -9 -10 69.19 5 3 9 10 74.69 3.9 -4 -9 -10 26.6 2.8 4 9 10 32.1 1.8 -5 -9 -10 87.19 4.6 -5 -9 -10 74.49 5.6 5 9 10 90.49 4.6 -6 -9 -10 1.7 0.9 -6 -9 -10 1.8 0.4 6 9 10 1 0.4 -7 -9 -10 7.7 0.7 -8 -9 -10 17.1 1.2 8 9 10 19.5 1.4 0 5 -11 9.3 1 0 -5 11 7.6 0.9 -1 5 -11 87.99 5 1 -5 11 86.69 5 2 -5 11 2.4 0.6 3 -5 11 -0.5 0.4 1 4 -11 4.9 0.8 -1 -4 11 7.2 0.9 0 4 -11 0.8 0.7 0 -4 11 0.5 0.6 -1 4 -11 1.8 0.7 1 -4 11 2.1 0.7 -2 4 -11 -0.2 0.6 2 -4 11 0.6 0.6 -3 4 -11 119.59 7 3 -4 11 128.29 7 -4 4 -11 11.5 1 4 -4 11 11.9 1.2 -5 4 -11 -0.3 0.4 5 -4 11 0.4 0.4 5 -4 11 -0.2 0.4 1 3 -11 21.3 1.8 -1 -3 11 21.3 1.8 0 3 -11 32.9 2.7 0 -3 11 32.8 2.4 -1 3 -11 47.7 3.2 1 -3 11 45.3 3.2 -2 3 -11 1.9 1.2 2 -3 11 1.6 0.8 -3 3 -11 12.6 1 -3 3 -11 14.3 1.5 3 -3 11 12.9 1.4 -4 3 -11 48 2.9 4 -3 11 46.7 3.1 -5 3 -11 47.1 2.9 5 -3 11 49.5 3 -6 3 -11 1.2 0.5 6 -3 11 2.4 0.6 2 2 -11 0.1 0.5 1 2 -11 68.49 4.2 -1 -2 11 71.39 4.3 0 2 -11 3 0.9 0 -2 11 3.2 0.9 -1 2 -11 6.9 1.2 1 -2 11 6 1.1 -2 2 -11 21.2 2.1 2 -2 11 22 2.1 -3 2 -11 20.9 2 3 -2 11 22.1 2.1 -4 2 -11 7.2 1.3 -4 2 -11 8.5 0.9 4 -2 11 5.2 1 -5 2 -11 6.3 0.9 5 -2 11 7.4 1.1 -6 2 -11 0.7 0.6 6 -2 11 1.7 0.6 -7 2 -11 56.49 3.2 7 -2 11 55.49 3.4 7 -2 11 56.59 3 2 1 -11 23.3 1.5 -2 -1 11 18.8 1.3 -1 -1 11 5 0.7 0 1 -11 13.8 1.6 0 -1 11 14 1.1 0 -1 11 13.6 1.5 -1 1 -11 0.2 0.9 1 -1 11 0.7 0.4 1 -1 11 -0.3 0.6 -2 1 -11 50.99 3.5 2 -1 11 50.59 3.6 -3 1 -11 52.49 3.7 3 -1 11 53.69 3.7 -4 1 -11 41.1 2.5 -4 1 -11 41.1 3 4 -1 11 39.9 3 -5 1 -11 91.99 5.2 5 -1 11 91.99 5.5 -6 1 -11 1.8 0.7 6 -1 11 1.7 0.7 -7 1 -11 0.3 0.5 7 -1 11 -0.3 0.4 7 -1 11 -0.3 0.5 -2 0 11 16.2 1.2 1 0 -11 15.8 1.6 0 0 -11 21.7 1.9 0 0 11 18.2 1.5 -1 0 -11 46.8 3.3 1 0 11 49.99 3.4 1 0 11 45.7 2.8 -2 0 -11 151.38 8.5 -2 0 -11 167.08 11.1 2 0 11 138.79 7.9 2 0 11 138.09 8.5 -3 0 -11 32.1 2.6 3 0 11 29.6 2.5 -4 0 -11 37.6 2.9 4 0 11 37.1 2.9 -5 0 -11 62.09 4.2 -5 0 -11 67.49 3.9 5 0 11 69.79 4.3 -6 0 -11 63.19 3.7 -6 0 -11 60.89 3.9 6 0 11 59.99 3.8 7 0 11 55.39 3.4 -8 0 -11 8.9 0.9 8 0 11 7.8 0.9 8 0 11 8.6 0.8 -2 1 11 10.1 0.9 1 -1 -11 339.37 17.4 -1 1 11 315.47 17.8 0 -1 -11 159.68 8.6 0 1 11 146.79 8.3 -1 -1 -11 173.08 13.6 -1 -1 -11 196.28 10.2 1 1 11 175.98 9.9 -2 -1 -11 1.6 0.9 -2 -1 -11 -0.1 0.8 2 1 11 -0.9 0.6 2 1 11 -0.5 0.5 -3 -1 -11 44.9 7.2 -3 -1 -11 40.6 3.5 -3 -1 -11 41 3 3 1 11 41.1 3 3 1 11 38.5 2.4 -4 -1 -11 11 1.5 4 1 11 9 1.4 5 1 11 -7.5 82.59 -6 -1 -11 18.2 1.8 -6 -1 -11 17.3 1.4 6 1 11 17.3 1.7 -7 -1 -11 6.2 1 -7 -1 -11 6.8 0.9 7 1 11 6.4 1 -8 -1 -11 12.1 1.1 8 1 11 11.4 1.1 8 1 11 11.3 1.1 -1 2 11 12.3 1.2 0 -2 -11 201.18 10.2 0 2 11 173.68 10.1 -1 -2 -11 35.2 2.5 1 2 11 31.3 2.2 -2 -2 -11 23 4 -2 -2 -11 19.9 1.8 2 2 11 17 1.5 2 2 11 15.6 1.7 -3 -2 -11 30.4 2.5 -3 -2 -11 34 3.8 -3 -2 -11 28.6 2.8 3 2 11 33.8 2.6 3 2 11 31.6 2.1 -4 -2 -11 243.98 13.4 -4 -2 -11 232.88 13.8 4 2 11 246.48 13.5 4 2 11 248.18 12.9 -5 -2 -11 270.27 14.6 5 2 11 263.87 14.7 -6 -2 -11 0.8 0.8 6 2 11 1.3 0.8 -7 -2 -11 2.8 1.1 -7 -2 -11 3.9 1 7 2 11 2.9 0.8 -8 -2 -11 18.3 1.2 8 2 11 13.2 1.2 8 2 11 14.3 1.4 -9 -2 -11 4.5 0.5 9 2 11 4.5 0.5 -1 3 11 173.18 9.3 0 -3 -11 0 1 0 -3 -11 0.3 0.4 0 3 11 0 0.5 -1 -3 -11 61.89 3.7 1 3 11 58.19 3.6 -2 -3 -11 37.8 3.4 -2 -3 -11 34.4 2.5 2 3 11 31.6 2.3 -3 -3 -11 6.4 1.1 -3 -3 -11 3.5 1.6 3 3 11 3.6 1 3 3 11 5.4 0.8 -4 -3 -11 42.4 3 -4 -3 -11 49.5 5.2 4 3 11 42.9 2.6 4 3 11 41.5 3.1 -5 -3 -11 7.9 1.3 5 3 11 9.5 0.7 5 3 11 9.8 1.4 -6 -3 -11 88.89 5.5 6 3 11 96.99 5.6 -7 -3 -11 40.9 2.7 7 3 11 38.3 2.7 -8 -3 -11 0.7 0.6 8 3 11 0.2 0.5 9 3 11 7.6 0.8 0 -4 -11 0.9 1 0 4 11 1.2 0.5 -1 -4 -11 137.49 7.2 1 4 11 122.39 7.1 -2 -4 -11 1.9 0.7 2 4 11 3.2 0.7 -3 -4 -11 18.9 1.8 -3 -4 -11 24.4 2.5 3 4 11 18.5 1.5 -4 -4 -11 10.5 1.3 4 4 11 10.9 1.1 4 4 11 11 1.4 -5 -4 -11 116.49 6.8 -5 -4 -11 115.99 8.8 5 4 11 121.99 6.4 5 4 11 116.49 6.9 -6 -4 -11 199.58 11 6 4 11 197.28 11 -7 -4 -11 2.9 0.8 7 4 11 2.3 0.8 -8 -4 -11 32 2.3 8 4 11 36.3 2.3 -9 -4 -11 22.8 1.6 9 4 11 20.8 1.5 0 -5 -11 8.1 1.4 0 5 11 9 0.9 -1 -5 -11 15.7 2.4 1 5 11 15.3 1.4 -2 -5 -11 105.49 5.7 2 5 11 99.79 5.7 -3 -5 -11 41 2.6 3 5 11 39.4 2.5 -4 -5 -11 120.49 6.8 4 5 11 119.59 6.6 -5 -5 -11 193.38 10.8 5 5 11 205.48 10.5 5 5 11 190.28 10.9 -6 -5 -11 226.68 12.1 6 5 11 217.08 12.2 -7 -5 -11 4.4 0.9 7 5 11 5 0.9 -8 -5 -11 2.4 0.7 8 5 11 2.9 0.7 -9 -5 -11 1.2 0.5 9 5 11 1.6 0.5 -1 -6 -11 5.2 1.4 1 6 11 5 0.6 -2 -6 -11 1 1.3 2 6 11 1.7 0.7 -3 -6 -11 3.6 0.6 3 6 11 3.9 0.6 -4 -6 -11 19.5 1.6 4 6 11 20.4 1.4 -5 -6 -11 136.69 8.2 5 6 11 158.28 8 -6 -6 -11 5.3 0.9 6 6 11 4.7 0.6 6 6 11 4.9 0.9 -7 -6 -11 25.9 2 7 6 11 28.1 2 -8 -6 -11 8.7 0.9 8 6 11 10.3 1 -9 -6 -11 4.2 0.7 9 6 11 4.2 0.6 -2 -7 -11 5.9 1.5 2 7 11 6.3 0.6 -3 -7 -11 46.9 4.4 3 7 11 57.19 3 -4 -7 -11 6.7 0.8 -4 -7 -11 6.4 1.8 4 7 11 7.1 0.7 -5 -7 -11 0.6 0.5 5 7 11 0.4 0.4 -6 -7 -11 12.9 1.3 6 7 11 15.1 1 -7 -7 -11 28.4 2 7 7 11 29 2 -8 -7 -11 70.09 4 8 7 11 69.69 4 -3 -8 -11 0.8 1 3 8 11 0.9 0.3 -4 -8 -11 19.4 2.5 4 8 11 23.7 1.4 -5 -8 -11 0.9 1.1 5 8 11 1.1 0.4 -6 -8 -11 3 0.6 -6 -8 -11 1.4 1 6 8 11 1.9 0.4 -7 -8 -11 1.2 0.8 -7 -8 -11 0.9 0.5 8 8 11 85.89 4.8 -1 3 -12 22.1 1.7 1 -3 12 22.1 1.7 -2 3 -12 10.6 1.1 2 -3 12 9.7 1.1 -3 3 -12 191.48 10.3 3 -3 12 186.18 10.3 4 -3 12 0.7 0.5 0 2 -12 0.3 0.5 0 -2 12 0.6 0.5 -1 2 -12 7.1 0.9 1 -2 12 6.5 0.9 -2 2 -12 51.69 3.2 2 -2 12 48.6 3.2 -3 2 -12 49 3 3 -2 12 42.9 3 -4 2 -12 88.29 4.8 4 -2 12 72.09 4.6 5 -2 12 1.2 0.5 0 1 -12 33.5 2.2 -1 1 -12 13.3 1.3 1 -1 12 9.1 1.1 2 -1 12 0.5 0.6 -3 1 -12 1.7 1 3 -1 12 0.2 0.8 -4 1 -12 55.79 3.5 4 -1 12 53.09 3.6 -5 1 -12 2.9 0.8 5 -1 12 3.2 0.8 6 -1 12 3.8 0.7 0 0 -12 5.2 0.8 0 0 12 6.3 0.6 -1 0 -12 2 1 1 0 12 1.8 0.3 1 0 12 1.5 0.7 -2 0 -12 22.1 1.9 2 0 12 21.8 1.9 -3 0 -12 59.49 3.7 3 0 12 56.49 3.8 -4 0 -12 17.3 1.7 4 0 12 15.9 1.7 -5 0 -12 1.7 0.7 5 0 12 1.4 0.7 -6 0 -12 5.9 1 6 0 12 6.8 0.9 7 0 12 1.5 0.5 7 0 12 1.1 0.5 0 -1 -12 31.8 2 0 1 12 31.3 1.9 -1 -1 -12 0 1 1 1 12 1.3 0.4 -2 -1 -12 61.59 3.9 2 1 12 59.59 3.9 2 1 12 62.39 3.5 -3 -1 -12 64.49 3.9 3 1 12 57.49 4.4 -4 -1 -12 0.9 0.7 4 1 12 0.2 0.7 -5 -1 -12 5.8 1 5 1 12 5.7 0.9 -6 -1 -12 24.9 2 6 1 12 28 2 -7 -1 -12 149.29 8.1 7 1 12 142.89 8.1 7 1 12 153.08 8.1 0 -2 -12 11.4 0.8 0 2 12 11 1 -1 -2 -12 1 0.6 1 2 12 2 0.5 -2 -2 -12 0.3 0.7 2 2 12 0.2 0.5 -3 -2 -12 41.2 2.8 3 2 12 40.5 2.9 -4 -2 -12 0.9 0.8 4 2 12 1.1 0.7 -5 -2 -12 129.39 7.2 5 2 12 122.49 7.2 -6 -2 -12 2.8 0.8 6 2 12 3.8 0.9 -7 -2 -12 0.8 0.6 7 2 12 0.4 0.4 7 2 12 0.1 0.5 8 2 12 94.59 4.9 8 2 12 82.29 5 0 3 12 47.5 2.7 -1 -3 -12 107.59 5.7 1 3 12 101.19 5.7 -2 -3 -12 171.08 9.1 2 3 12 159.38 9.1 -3 -3 -12 5.8 1 3 3 12 5.2 0.6 -4 -3 -12 136.99 7.7 4 3 12 135.39 7.8 -5 -3 -12 348.37 19.3 5 3 12 370.96 19.5 -6 -3 -12 27.9 2.2 6 3 12 31.9 2.3 -7 -3 -12 120.79 6.9 7 3 12 127.59 7.2 7 3 12 124.19 7 -8 -3 -12 1.4 0.5 8 3 12 2.3 0.6 -1 -4 -12 -0.2 1 1 4 12 0.2 0.4 -2 -4 -12 17 1.3 2 4 12 15.9 1.2 -3 -4 -12 202.08 10.8 3 4 12 197.08 10.7 -4 -4 -12 60.19 3.7 4 4 12 63.69 3.6 4 4 12 58.39 3.8 -5 -4 -12 71.69 4.1 5 4 12 64.49 4.1 -6 -4 -12 538.85 28.5 6 4 12 535.45 28.5 -7 -4 -12 19 1.6 7 4 12 18.3 1.6 -8 -4 -12 44.9 2.8 8 4 12 45.5 2.8 -2 -5 -12 3.1 1.3 2 5 12 3.5 0.5 -3 -5 -12 25.6 1.7 3 5 12 23 1.5 -4 -5 -12 15 1.4 4 5 12 15.1 1.1 -5 -5 -12 5.7 0.8 5 5 12 5.1 0.9 5 5 12 6.2 0.6 6 5 12 0.7 0.6 -7 -5 -12 39.4 2.6 7 5 12 41.5 2.6 -8 -5 -12 135.39 7.5 8 5 12 137.89 7.5 -3 -6 -12 4 1.4 3 6 12 5.2 0.6 -4 -6 -12 1.4 0.5 4 6 12 2.4 0.4 -5 -6 -12 8.8 1 5 6 12 10.9 0.8 -6 -6 -12 10.9 1.1 6 6 12 10.4 1.1 -7 -6 -12 164.48 9.1 7 6 12 172.38 9.3 -8 -6 -12 3.9 0.7 8 6 12 3.8 0.6 -4 -7 -12 0.8 1.1 4 7 12 1.1 0.3 -5 -7 -12 32.2 1.9 -5 -7 -12 28.9 3 5 7 12 33.9 1.8 -6 -7 -12 3.1 1.2 -6 -7 -12 4.9 0.6 -7 -7 -12 8.4 1.4 -7 -7 -12 11.4 1 -3 1 -13 66.69 3.8 3 -1 13 61.09 3.9 -4 1 -13 35.3 2.2 4 -1 13 34.4 2.2 -2 0 -13 8.9 1 2 0 13 7.9 1.2 -3 0 -13 8.6 1 3 0 13 11.1 1.3 -4 0 -13 12.6 1.2 4 0 13 12.1 1.2 -5 0 -13 18.4 1.4 5 0 13 15.4 1.3 -2 -1 -13 8.7 0.9 -3 -1 -13 44 2.8 3 1 13 44.7 2.8 -4 -1 -13 45.1 2.8 4 1 13 41.7 2.8 -5 -1 -13 79.39 4.6 5 1 13 78.59 4.6 -6 -1 -13 0 0.5 6 1 13 0 0.5 -2 -2 -13 3 0.6 -3 -2 -13 54.49 3.2 3 2 13 49.6 3.3 -4 -2 -13 22.4 1.7 4 2 13 23.8 2.1 -5 -2 -13 -0.9 0.5 5 2 13 0.2 0.5 -6 -2 -13 1.8 0.6 6 2 13 1.6 0.6 -3 -3 -13 244.58 13.1 -4 -3 -13 1.4 0.6 4 3 13 0.1 0.5 -5 -3 -13 3 0.6 5 3 13 4.3 0.9 -6 -3 -13 151.08 8.1 6 3 13 145.39 8.1 -3 -4 -13 42.9 2.5 3 4 13 42.8 2.3 -4 -4 -13 2.4 0.6 -5 -4 -13 56.79 3.3 5 4 13 52.59 3.3 -6 -4 -13 12.6 1.1 6 4 13 11.2 1.1 -5 -5 -13 27.7 1.8 -6 -5 -13 137.29 7.4 6 5 13 132.89 7.4 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 B2 B1 H1 122.1 . . ? B2 B1 B7 108.77(11) . . ? B2 B1 B8 60.75(9) . . ? B7 B1 H1 121.3 . . ? B8 B1 H1 122.2 . . ? B8 B1 B7 60.28(9) . . ? B10 B1 H1 121.6 . . ? B10 B1 B2 59.50(10) . . ? B10 B1 B7 107.85(12) . . ? B10 B1 B8 108.04(12) . . ? C13 B1 H1 125.5 . . ? C13 B1 B2 104.22(12) . . ? C13 B1 B7 57.93(9) . . ? C13 B1 B8 103.99(11) . . ? C13 B1 B10 58.75(10) . . ? C3 N1 C6 106.26(11) . . ? C3 N1 B9 125.49(12) . . ? C6 N1 B9 121.46(12) . . ? C2 O1 C1 116.63(14) . . ? O1 C1 H1A 109.5 . . ? O1 C1 H1B 109.5 . . ? O1 C1 H1C 109.5 . . ? H1A C1 H1B 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? B1 B2 H2 122.7 . . ? B1 B2 B8 59.65(9) . . ? B3 B2 B1 107.35(12) . . ? B3 B2 H2 121.9 . . ? B3 B2 B8 59.76(9) . . ? B8 B2 H2 122.7 . . ? B10 B2 B1 59.97(10) . . ? B10 B2 H2 121.7 . . ? B10 B2 B3 107.42(12) . . ? B10 B2 B8 107.54(12) . . ? C12 B2 B1 104.19(12) . . ? C12 B2 H2 125.1 . . ? C12 B2 B3 58.45(9) . . ? C12 B2 B8 104.17(11) . . ? C12 B2 B10 58.38(10) . . ? O1 C2 C3 110.67(12) . . ? O2 C2 O1 123.91(15) . . ? O2 C2 C3 125.31(15) . . ? C8 N2 B8 125.82(12) . . ? C11 N2 B8 125.22(13) . . ? C11 N2 C8 107.52(13) . . ? N1 C3 C2 123.15(12) . . ? C4 C3 N1 109.48(13) . . ? C4 C3 C2 125.82(14) . . ? B2 B3 H3 120.8 . . ? B2 B3 B8 60.81(9) . . ? B2 B3 B9 108.89(11) . . ? B4 B3 B2 109.02(11) . . ? B4 B3 H3 120.8 . . ? B4 B3 B8 108.52(11) . . ? B4 B3 B9 60.71(9) . . ? B8 B3 H3 122.3 . . ? B8 B3 B9 59.59(9) . . ? B9 B3 H3 121.9 . . ? C12 B3 B2 58.63(9) . . ? C12 B3 H3 124.5 . . ? C12 B3 B4 59.30(9) . . ? C12 B3 B8 105.11(11) . . ? C12 B3 B9 105.62(11) . . ? B3 B4 H4 121.6 . . ? B3 B4 B6 108.18(11) . . ? B3 B4 B9 60.52(9) . . ? B5 B4 B3 107.08(12) . . ? B5 B4 H4 122.1 . . ? B5 B4 B6 59.96(9) . . ? B5 B4 B9 107.77(11) . . ? B6 B4 H4 122.3 . . ? B6 B4 B9 60.06(9) . . ? B9 B4 H4 122.1 . . ? C12 B4 B3 58.25(9) . . ? C12 B4 H4 125.2 . . ? C12 B4 B5 58.01(9) . . ? C12 B4 B6 104.32(11) . . ? C12 B4 B9 104.68(11) . . ? C3 C4 H4A 126.2 . . ? C3 C4 C5 107.66(14) . . ? C5 C4 H4A 126.2 . . ? C4 C5 H5 126.0 . . ? C6 C5 C4 107.93(13) . . ? C6 C5 H5 126.0 . . ? B4 B5 H5A 121.7 . . ? B4 B5 B6 60.28(9) . . ? B4 B5 B10 108.39(12) . . ? B6 B5 H5A 121.3 . . ? B6 B5 B10 108.72(12) . . ? B10 B5 H5A 121.2 . . ? C12 B5 B4 59.53(9) . . ? C12 B5 H5A 125.3 . . ? C12 B5 B6 105.73(11) . . ? C12 B5 B10 58.13(10) . . ? C12 B5 C13 100.92(12) . . ? C13 B5 B4 104.91(11) . . ? C13 B5 H5A 125.7 . . ? C13 B5 B6 59.11(9) . . ? C13 B5 B10 58.58(10) . . ? B4 B6 H6 122.2 . . ? B4 B6 B7 108.08(11) . . ? B4 B6 B9 60.81(9) . . ? B5 B6 B4 59.76(9) . . ? B5 B6 H6 121.6 . . ? B5 B6 B7 107.37(12) . . ? B5 B6 B9 108.21(11) . . ? B7 B6 H6 121.9 . . ? B7 B6 B9 59.67(9) . . ? B9 B6 H6 122.3 . . ? C13 B6 B4 104.00(11) . . ? C13 B6 B5 58.44(9) . . ? C13 B6 H6 125.7 . . ? C13 B6 B7 57.87(9) . . ? C13 B6 B9 103.69(11) . . ? N1 C6 C7 127.95(13) . . ? C5 C6 N1 108.64(13) . . ? C5 C6 C7 122.34(13) . . ? O3 C7 C6 117.09(14) . . ? O3 C7 C8 118.31(14) . . ? C8 C7 C6 123.72(12) . . ? B1 B7 H7 121.6 . . ? B1 B7 B8 59.55(9) . . ? B6 B7 B1 108.05(12) . . ? B6 B7 H7 121.4 . . ? B6 B7 B8 107.58(11) . . ? B8 B7 H7 123.0 . . ? B9 B7 B1 107.87(11) . . ? B9 B7 B6 60.24(9) . . ? B9 B7 H7 122.2 . . ? B9 B7 B8 59.74(9) . . ? C13 B7 B1 58.59(10) . . ? C13 B7 B6 58.80(9) . . ? C13 B7 H7 124.9 . . ? C13 B7 B8 103.93(11) . . ? C13 B7 B9 104.85(11) . . ? B1 B8 B2 59.60(10) . . ? B1 B8 B3 107.04(11) . . ? B1 B8 B7 60.17(9) . . ? B1 B8 B9 108.45(11) . . ? N2 B8 B1 124.96(12) . . ? N2 B8 B2 122.03(13) . . ? N2 B8 B3 119.33(12) . . ? N2 B8 B7 123.48(12) . . ? N2 B8 B9 118.89(12) . . ? B3 B8 B2 59.43(9) . . ? B3 B8 B7 107.62(11) . . ? B3 B8 B9 60.83(9) . . ? B7 B8 B2 107.77(11) . . ? B9 B8 B2 108.77(11) . . ? B9 B8 B7 59.84(9) . . ? N2 C8 C7 128.12(13) . . ? C9 C8 N2 107.73(14) . . ? C9 C8 C7 123.83(14) . . ? N1 B9 B3 117.86(11) . . ? N1 B9 B4 122.93(12) . . ? N1 B9 B6 127.58(12) . . ? N1 B9 B7 124.60(12) . . ? N1 B9 B8 117.99(12) . . ? B3 B9 B4 58.77(9) . . ? B6 B9 B3 106.06(11) . . ? B6 B9 B4 59.13(9) . . ? B7 B9 B3 107.10(11) . . ? B7 B9 B4 107.08(11) . . ? B7 B9 B6 60.09(9) . . ? B8 B9 B3 59.58(9) . . ? B8 B9 B4 106.96(11) . . ? B8 B9 B6 107.99(11) . . ? B8 B9 B7 60.42(9) . . ? C8 C9 H9 125.9 . . ? C8 C9 C10 108.11(14) . . ? C10 C9 H9 125.9 . . ? B1 B10 B5 108.00(12) . . ? B1 B10 H10 121.7 . . ? B2 B10 B1 60.53(10) . . ? B2 B10 B5 108.08(12) . . ? B2 B10 H10 121.6 . . ? B5 B10 H10 121.6 . . ? C12 B10 B1 105.14(11) . . ? C12 B10 B2 59.07(9) . . ? C12 B10 B5 58.17(10) . . ? C12 B10 H10 125.6 . . ? C12 B10 C13 100.74(11) . . ? C13 B10 B1 58.86(10) . . ? C13 B10 B2 105.09(12) . . ? C13 B10 B5 58.31(10) . . ? C13 B10 H10 125.6 . . ? C9 C10 H10A 126.4 . . ? C11 C10 C9 107.16(15) . . ? C11 C10 H10A 126.4 . . ? N2 C11 H11 125.3 . . ? C10 C11 N2 109.46(15) . . ? C10 C11 H11 125.3 . . ? B2 C12 B4 115.20(12) . . ? B2 C12 H12 117.3 . . ? B3 C12 B2 62.92(9) . . ? B3 C12 B4 62.45(9) . . ? B3 C12 H12 118.2 . . ? B4 C12 H12 117.6 . . ? B5 C12 B2 115.49(12) . . ? B5 C12 B3 114.21(12) . . ? B5 C12 B4 62.45(10) . . ? B5 C12 H12 117.4 . . ? B10 C12 B2 62.55(10) . . ? B10 C12 B3 114.50(12) . . ? B10 C12 B4 115.36(12) . . ? B10 C12 B5 63.70(10) . . ? B10 C12 H12 117.3 . . ? B1 C13 B6 115.77(11) . . ? B1 C13 H13 117.3 . . ? B5 C13 B1 114.87(12) . . ? B5 C13 B6 62.45(10) . . ? B5 C13 B10 63.11(10) . . ? B5 C13 H13 117.7 . . ? B6 C13 H13 117.2 . . ? B7 C13 B1 63.48(10) . . ? B7 C13 B5 115.22(11) . . ? B7 C13 B6 63.33(10) . . ? B7 C13 B10 115.48(12) . . ? B7 C13 H13 116.9 . . ? B10 C13 B1 62.40(10) . . ? B10 C13 B6 115.24(11) . . ? B10 C13 H13 117.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag B1 H1 1.1000 . ? B1 B2 1.776(3) . ? B1 B7 1.788(2) . ? B1 B8 1.777(2) . ? B1 B10 1.766(3) . ? B1 C13 1.705(2) . ? N1 C3 1.3917(19) . ? N1 C6 1.3999(18) . ? N1 B9 1.5088(19) . ? O1 C1 1.442(2) . ? O1 C2 1.3336(19) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? B2 H2 1.1000 . ? B2 B3 1.772(2) . ? B2 B8 1.796(2) . ? B2 B10 1.757(2) . ? B2 C12 1.699(2) . ? O2 C2 1.1999(19) . ? C2 C3 1.466(2) . ? N2 B8 1.483(2) . ? N2 C8 1.3866(19) . ? N2 C11 1.369(2) . ? C3 C4 1.370(2) . ? B3 H3 1.1000 . ? B3 B4 1.768(2) . ? B3 B8 1.777(2) . ? B3 B9 1.800(2) . ? B3 C12 1.696(2) . ? O3 C7 1.2325(18) . ? B4 H4 1.1000 . ? B4 B5 1.764(2) . ? B4 B6 1.773(2) . ? B4 B9 1.803(2) . ? B4 C12 1.714(2) . ? C4 H4A 0.9300 . ? C4 C5 1.393(2) . ? C5 H5 0.9300 . ? C5 C6 1.379(2) . ? B5 H5A 1.1000 . ? B5 B6 1.767(2) . ? B5 B10 1.780(3) . ? B5 C12 1.687(2) . ? B5 C13 1.698(2) . ? B6 H6 1.1000 . ? B6 B7 1.787(2) . ? B6 B9 1.790(2) . ? B6 C13 1.710(2) . ? C6 C7 1.482(2) . ? C7 C8 1.465(2) . ? B7 H7 1.1000 . ? B7 B8 1.790(2) . ? B7 B9 1.779(2) . ? B7 C13 1.693(2) . ? B8 B9 1.778(2) . ? C8 C9 1.380(2) . ? C9 H9 0.9300 . ? C9 C10 1.390(3) . ? B10 H10 1.1000 . ? B10 C12 1.686(2) . ? B10 C13 1.703(2) . ? C10 H10A 0.9300 . ? C10 C11 1.368(2) . ? C11 H11 0.9300 . ? C12 H12 1.1000 . ? C13 H13 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 B1 B2 B3 B4 63.72(15) . . . . ? B1 B2 B3 B8 -37.37(11) . . . . ? B1 B2 B3 B9 -0.87(16) . . . . ? B1 B2 B3 C12 96.29(13) . . . . ? B1 B2 B8 N2 -114.62(15) . . . . ? B1 B2 B8 B3 137.83(12) . . . . ? B1 B2 B8 B7 37.47(11) . . . . ? B1 B2 B8 B9 100.84(12) . . . . ? B1 B2 B10 B5 -100.89(14) . . . . ? B1 B2 B10 C12 -133.50(12) . . . . ? B1 B2 B10 C13 -39.86(11) . . . . ? B1 B2 C12 B3 -101.87(12) . . . . ? B1 B2 C12 B4 -66.42(15) . . . . ? B1 B2 C12 B5 3.59(16) . . . . ? B1 B2 C12 B10 40.37(11) . . . . ? B1 B7 B8 B2 -37.22(11) . . . . ? B1 B7 B8 N2 114.38(15) . . . . ? B1 B7 B8 B3 -99.92(12) . . . . ? B1 B7 B8 B9 -139.03(12) . . . . ? B1 B7 B9 N1 141.75(14) . . . . ? B1 B7 B9 B3 -1.96(15) . . . . ? B1 B7 B9 B4 -63.74(14) . . . . ? B1 B7 B9 B6 -100.99(13) . . . . ? B1 B7 B9 B8 36.43(11) . . . . ? B1 B7 C13 B5 106.54(14) . . . . ? B1 B7 C13 B6 142.58(12) . . . . ? B1 B7 C13 B10 35.77(12) . . . . ? B1 B8 B9 N1 -152.80(12) . . . . ? B1 B8 B9 B3 99.65(12) . . . . ? B1 B8 B9 B4 63.52(13) . . . . ? B1 B8 B9 B6 1.22(15) . . . . ? B1 B8 B9 B7 -36.84(11) . . . . ? B1 B10 C12 B2 -40.86(12) . . . . ? B1 B10 C12 B3 -4.05(17) . . . . ? B1 B10 C12 B4 65.68(16) . . . . ? B1 B10 C12 B5 102.05(13) . . . . ? B1 B10 C13 B5 -142.88(12) . . . . ? B1 B10 C13 B6 -107.21(13) . . . . ? B1 B10 C13 B7 -36.17(12) . . . . ? N1 C3 C4 C5 1.51(18) . . . . ? N1 C6 C7 O3 -171.45(14) . . . . ? N1 C6 C7 C8 19.5(2) . . . . ? O1 C2 C3 N1 164.24(13) . . . . ? O1 C2 C3 C4 -31.5(2) . . . . ? C1 O1 C2 O2 -0.1(3) . . . . ? C1 O1 C2 C3 176.23(16) . . . . ? B2 B1 B7 B6 -62.21(14) . . . . ? B2 B1 B7 B8 37.98(11) . . . . ? B2 B1 B7 B9 1.46(16) . . . . ? B2 B1 B7 C13 -95.35(13) . . . . ? B2 B1 B8 N2 109.88(16) . . . . ? B2 B1 B8 B3 -37.20(11) . . . . ? B2 B1 B8 B7 -138.10(12) . . . . ? B2 B1 B8 B9 -101.40(12) . . . . ? B2 B1 B10 B5 101.02(13) . . . . ? B2 B1 B10 C12 40.14(11) . . . . ? B2 B1 B10 C13 133.70(12) . . . . ? B2 B1 C13 B5 -3.60(16) . . . . ? B2 B1 C13 B6 66.39(15) . . . . ? B2 B1 C13 B7 103.47(12) . . . . ? B2 B1 C13 B10 -39.99(11) . . . . ? B2 B3 B4 B5 -0.36(15) . . . . ? B2 B3 B4 B6 -63.60(14) . . . . ? B2 B3 B4 B9 -101.49(12) . . . . ? B2 B3 B4 C12 32.31(11) . . . . ? B2 B3 B8 B1 37.27(11) . . . . ? B2 B3 B8 N2 -112.00(15) . . . . ? B2 B3 B8 B7 100.62(12) . . . . ? B2 B3 B8 B9 139.27(12) . . . . ? B2 B3 B9 N1 -144.79(13) . . . . ? B2 B3 B9 B4 101.72(12) . . . . ? B2 B3 B9 B6 64.74(14) . . . . ? B2 B3 B9 B7 1.77(15) . . . . ? B2 B3 B9 B8 -37.02(11) . . . . ? B2 B3 C12 B4 -143.71(12) . . . . ? B2 B3 C12 B5 -107.46(14) . . . . ? B2 B3 C12 B10 -36.67(13) . . . . ? B2 B8 B9 N1 143.95(12) . . . . ? B2 B8 B9 B3 36.40(10) . . . . ? B2 B8 B9 B4 0.27(14) . . . . ? B2 B8 B9 B6 -62.03(14) . . . . ? B2 B8 B9 B7 -100.10(12) . . . . ? B2 B10 C12 B3 36.81(12) . . . . ? B2 B10 C12 B4 106.54(14) . . . . ? B2 B10 C12 B5 142.92(12) . . . . ? B2 B10 C13 B1 40.69(11) . . . . ? B2 B10 C13 B5 -102.19(13) . . . . ? B2 B10 C13 B6 -66.52(16) . . . . ? B2 B10 C13 B7 4.52(17) . . . . ? O2 C2 C3 N1 -19.5(2) . . . . ? O2 C2 C3 C4 144.77(18) . . . . ? C2 C3 C4 C5 -164.54(14) . . . . ? N2 B8 B9 N1 -1.87(18) . . . . ? N2 B8 B9 B3 -109.43(14) . . . . ? N2 B8 B9 B4 -145.56(12) . . . . ? N2 B8 B9 B6 152.15(12) . . . . ? N2 B8 B9 B7 114.08(14) . . . . ? N2 C8 C9 C10 0.27(18) . . . . ? C3 N1 C6 C5 1.45(16) . . . . ? C3 N1 C6 C7 -166.77(13) . . . . ? C3 N1 B9 B3 -130.02(14) . . . . ? C3 N1 B9 B4 -60.89(19) . . . . ? C3 N1 B9 B6 13.3(2) . . . . ? C3 N1 B9 B7 89.76(18) . . . . ? C3 N1 B9 B8 161.55(12) . . . . ? C3 C4 C5 C6 -0.58(18) . . . . ? B3 B2 B8 B1 -137.83(12) . . . . ? B3 B2 B8 N2 107.55(14) . . . . ? B3 B2 B8 B7 -100.36(12) . . . . ? B3 B2 B8 B9 -36.99(11) . . . . ? B3 B2 B10 B1 100.34(13) . . . . ? B3 B2 B10 B5 -0.55(16) . . . . ? B3 B2 B10 C12 -33.16(11) . . . . ? B3 B2 B10 C13 60.48(15) . . . . ? B3 B2 C12 B4 35.45(12) . . . . ? B3 B2 C12 B5 105.45(13) . . . . ? B3 B2 C12 B10 142.24(12) . . . . ? B3 B4 B5 B6 -101.50(12) . . . . ? B3 B4 B5 B10 0.01(16) . . . . ? B3 B4 B5 C12 32.76(11) . . . . ? B3 B4 B5 C13 -61.30(14) . . . . ? B3 B4 B6 B5 99.63(13) . . . . ? B3 B4 B6 B7 -0.36(15) . . . . ? B3 B4 B6 B9 -38.10(10) . . . . ? B3 B4 B6 C13 59.96(14) . . . . ? B3 B4 B9 N1 -104.98(14) . . . . ? B3 B4 B9 B6 137.67(12) . . . . ? B3 B4 B9 B7 99.98(12) . . . . ? B3 B4 B9 B8 36.49(10) . . . . ? B3 B4 C12 B2 -35.62(12) . . . . ? B3 B4 C12 B5 -142.53(12) . . . . ? B3 B4 C12 B10 -105.69(13) . . . . ? B3 B8 B9 N1 107.55(13) . . . . ? B3 B8 B9 B4 -36.13(10) . . . . ? B3 B8 B9 B6 -98.43(12) . . . . ? B3 B8 B9 B7 -136.49(11) . . . . ? O3 C7 C8 N2 157.67(14) . . . . ? O3 C7 C8 C9 -29.5(2) . . . . ? B4 B3 B8 B1 -64.65(14) . . . . ? B4 B3 B8 B2 -101.92(12) . . . . ? B4 B3 B8 N2 146.08(13) . . . . ? B4 B3 B8 B7 -1.30(14) . . . . ? B4 B3 B8 B9 37.35(10) . . . . ? B4 B3 B9 N1 113.49(14) . . . . ? B4 B3 B9 B6 -36.98(10) . . . . ? B4 B3 B9 B7 -99.95(12) . . . . ? B4 B3 B9 B8 -138.73(11) . . . . ? B4 B3 C12 B2 143.71(12) . . . . ? B4 B3 C12 B5 36.25(12) . . . . ? B4 B3 C12 B10 107.04(14) . . . . ? B4 B5 B6 B7 101.18(12) . . . . ? B4 B5 B6 B9 38.19(11) . . . . ? B4 B5 B6 C13 133.38(12) . . . . ? B4 B5 B10 B1 -63.68(15) . . . . ? B4 B5 B10 B2 0.33(16) . . . . ? B4 B5 B10 C12 33.30(11) . . . . ? B4 B5 B10 C13 -96.58(13) . . . . ? B4 B5 C12 B2 -106.46(13) . . . . ? B4 B5 C12 B3 -36.25(12) . . . . ? B4 B5 C12 B10 -142.81(12) . . . . ? B4 B5 C13 B1 66.59(15) . . . . ? B4 B5 C13 B6 -40.79(11) . . . . ? B4 B5 C13 B7 -4.41(17) . . . . ? B4 B5 C13 B10 102.71(13) . . . . ? B4 B6 B7 B1 62.43(14) . . . . ? B4 B6 B7 B8 -0.45(15) . . . . ? B4 B6 B7 B9 -38.25(11) . . . . ? B4 B6 B7 C13 95.48(12) . . . . ? B4 B6 B9 N1 -109.82(16) . . . . ? B4 B6 B9 B3 36.81(10) . . . . ? B4 B6 B9 B7 137.61(12) . . . . ? B4 B6 B9 B8 99.39(12) . . . . ? B4 B6 C13 B1 -65.63(15) . . . . ? B4 B6 C13 B5 40.33(11) . . . . ? B4 B6 C13 B7 -102.77(12) . . . . ? B4 B6 C13 B10 4.41(16) . . . . ? C4 C5 C6 N1 -0.56(18) . . . . ? C4 C5 C6 C7 168.46(14) . . . . ? C5 C6 C7 O3 21.8(2) . . . . ? C5 C6 C7 C8 -147.26(15) . . . . ? B5 B4 B6 B7 -99.98(13) . . . . ? B5 B4 B6 B9 -137.73(12) . . . . ? B5 B4 B6 C13 -39.67(11) . . . . ? B5 B4 B9 N1 155.05(13) . . . . ? B5 B4 B9 B3 -99.97(12) . . . . ? B5 B4 B9 B6 37.70(11) . . . . ? B5 B4 B9 B7 0.01(15) . . . . ? B5 B4 B9 B8 -63.48(14) . . . . ? B5 B4 C12 B2 106.91(14) . . . . ? B5 B4 C12 B3 142.53(12) . . . . ? B5 B4 C12 B10 36.84(12) . . . . ? B5 B6 B7 B1 -0.63(14) . . . . ? B5 B6 B7 B8 -63.51(13) . . . . ? B5 B6 B7 B9 -101.32(12) . . . . ? B5 B6 B7 C13 32.42(10) . . . . ? B5 B6 B9 N1 -147.54(14) . . . . ? B5 B6 B9 B3 -0.91(15) . . . . ? B5 B6 B9 B4 -37.72(11) . . . . ? B5 B6 B9 B7 99.89(13) . . . . ? B5 B6 B9 B8 61.68(14) . . . . ? B5 B6 C13 B1 -105.96(14) . . . . ? B5 B6 C13 B7 -143.10(12) . . . . ? B5 B6 C13 B10 -35.92(12) . . . . ? B5 B10 C12 B2 -142.92(12) . . . . ? B5 B10 C12 B3 -106.10(14) . . . . ? B5 B10 C12 B4 -36.37(12) . . . . ? B5 B10 C13 B1 142.88(12) . . . . ? B5 B10 C13 B6 35.67(12) . . . . ? B5 B10 C13 B7 106.71(13) . . . . ? B6 B4 B5 B10 101.52(13) . . . . ? B6 B4 B5 C12 134.26(12) . . . . ? B6 B4 B5 C13 40.20(11) . . . . ? B6 B4 B9 N1 117.35(15) . . . . ? B6 B4 B9 B3 -137.67(12) . . . . ? B6 B4 B9 B7 -37.69(11) . . . . ? B6 B4 B9 B8 -101.18(11) . . . . ? B6 B4 C12 B2 67.14(15) . . . . ? B6 B4 C12 B3 102.75(12) . . . . ? B6 B4 C12 B5 -39.78(11) . . . . ? B6 B4 C12 B10 -2.94(16) . . . . ? B6 B5 B10 B1 0.28(16) . . . . ? B6 B5 B10 B2 64.30(15) . . . . ? B6 B5 B10 C12 97.26(12) . . . . ? B6 B5 B10 C13 -32.62(11) . . . . ? B6 B5 C12 B2 -66.21(15) . . . . ? B6 B5 C12 B3 4.00(16) . . . . ? B6 B5 C12 B4 40.25(11) . . . . ? B6 B5 C12 B10 -102.57(13) . . . . ? B6 B5 C13 B1 107.37(13) . . . . ? B6 B5 C13 B7 36.38(12) . . . . ? B6 B5 C13 B10 143.49(12) . . . . ? B6 B7 B8 B1 100.99(13) . . . . ? B6 B7 B8 B2 63.77(14) . . . . ? B6 B7 B8 N2 -144.63(13) . . . . ? B6 B7 B8 B3 1.07(14) . . . . ? B6 B7 B8 B9 -38.03(10) . . . . ? B6 B7 B9 N1 -117.26(16) . . . . ? B6 B7 B9 B3 99.03(12) . . . . ? B6 B7 B9 B4 37.26(11) . . . . ? B6 B7 B9 B8 137.43(12) . . . . ? B6 B7 C13 B1 -142.58(12) . . . . ? B6 B7 C13 B5 -36.05(12) . . . . ? B6 B7 C13 B10 -106.82(13) . . . . ? C6 N1 C3 C2 164.67(13) . . . . ? C6 N1 C3 C4 -1.83(16) . . . . ? C6 N1 B9 B3 17.07(19) . . . . ? C6 N1 B9 B4 86.19(17) . . . . ? C6 N1 B9 B6 160.36(13) . . . . ? C6 N1 B9 B7 -123.15(15) . . . . ? C6 N1 B9 B8 -51.36(17) . . . . ? C6 C7 C8 N2 -33.4(2) . . . . ? C6 C7 C8 C9 139.37(15) . . . . ? C7 C8 C9 C10 -173.78(14) . . . . ? B7 B1 B2 B3 -0.36(16) . . . . ? B7 B1 B2 B8 -37.78(11) . . . . ? B7 B1 B2 B10 100.11(13) . . . . ? B7 B1 B2 C12 60.53(14) . . . . ? B7 B1 B8 B2 138.10(12) . . . . ? B7 B1 B8 N2 -112.03(16) . . . . ? B7 B1 B8 B3 100.90(12) . . . . ? B7 B1 B8 B9 36.70(11) . . . . ? B7 B1 B10 B2 -101.69(12) . . . . ? B7 B1 B10 B5 -0.67(16) . . . . ? B7 B1 B10 C12 -61.55(15) . . . . ? B7 B1 B10 C13 32.01(10) . . . . ? B7 B1 C13 B5 -107.07(13) . . . . ? B7 B1 C13 B6 -37.08(12) . . . . ? B7 B1 C13 B10 -143.46(12) . . . . ? B7 B6 B9 N1 112.57(16) . . . . ? B7 B6 B9 B3 -100.80(12) . . . . ? B7 B6 B9 B4 -137.61(12) . . . . ? B7 B6 B9 B8 -38.21(11) . . . . ? B7 B6 C13 B1 37.13(12) . . . . ? B7 B6 C13 B5 143.10(12) . . . . ? B7 B6 C13 B10 107.18(13) . . . . ? B7 B8 B9 N1 -115.95(13) . . . . ? B7 B8 B9 B3 136.49(11) . . . . ? B7 B8 B9 B4 100.36(11) . . . . ? B7 B8 B9 B6 38.07(11) . . . . ? B8 B1 B2 B3 37.41(11) . . . . ? B8 B1 B2 B10 137.89(13) . . . . ? B8 B1 B2 C12 98.31(12) . . . . ? B8 B1 B7 B6 -100.20(12) . . . . ? B8 B1 B7 B9 -36.52(11) . . . . ? B8 B1 B7 C13 -133.33(12) . . . . ? B8 B1 B10 B2 -37.98(12) . . . . ? B8 B1 B10 B5 63.04(15) . . . . ? B8 B1 B10 C12 2.16(16) . . . . ? B8 B1 B10 C13 95.72(13) . . . . ? B8 B1 C13 B5 -66.45(15) . . . . ? B8 B1 C13 B6 3.54(16) . . . . ? B8 B1 C13 B7 40.62(10) . . . . ? B8 B1 C13 B10 -102.84(12) . . . . ? B8 B2 B3 B4 101.09(12) . . . . ? B8 B2 B3 B9 36.49(11) . . . . ? B8 B2 B3 C12 133.66(12) . . . . ? B8 B2 B10 B1 37.37(11) . . . . ? B8 B2 B10 B5 -63.52(15) . . . . ? B8 B2 B10 C12 -96.13(12) . . . . ? B8 B2 B10 C13 -2.49(15) . . . . ? B8 B2 C12 B3 -40.14(10) . . . . ? B8 B2 C12 B4 -4.69(16) . . . . ? B8 B2 C12 B5 65.31(14) . . . . ? B8 B2 C12 B10 102.10(12) . . . . ? B8 N2 C8 C7 -19.1(2) . . . . ? B8 N2 C8 C9 167.20(14) . . . . ? B8 N2 C11 C10 -167.81(14) . . . . ? B8 B3 B4 B5 64.27(14) . . . . ? B8 B3 B4 B6 1.03(14) . . . . ? B8 B3 B4 B9 -36.86(10) . . . . ? B8 B3 B4 C12 96.93(12) . . . . ? B8 B3 B9 N1 -107.78(14) . . . . ? B8 B3 B9 B4 138.73(11) . . . . ? B8 B3 B9 B6 101.76(11) . . . . ? B8 B3 B9 B7 38.78(10) . . . . ? B8 B3 C12 B2 40.86(11) . . . . ? B8 B3 C12 B4 -102.85(12) . . . . ? B8 B3 C12 B5 -66.60(15) . . . . ? B8 B3 C12 B10 4.19(17) . . . . ? B8 B7 B9 N1 105.32(15) . . . . ? B8 B7 B9 B3 -38.40(10) . . . . ? B8 B7 B9 B4 -100.17(12) . . . . ? B8 B7 B9 B6 -137.43(12) . . . . ? B8 B7 C13 B1 -40.25(10) . . . . ? B8 B7 C13 B5 66.29(15) . . . . ? B8 B7 C13 B6 102.34(11) . . . . ? B8 B7 C13 B10 -4.48(16) . . . . ? C8 N2 B8 B1 -168.78(14) . . . . ? C8 N2 B8 B2 -95.70(17) . . . . ? C8 N2 B8 B3 -25.4(2) . . . . ? C8 N2 B8 B7 116.60(16) . . . . ? C8 N2 B8 B9 45.45(19) . . . . ? C8 N2 C11 C10 -0.86(19) . . . . ? C8 C9 C10 C11 -0.8(2) . . . . ? B9 N1 C3 C2 -44.2(2) . . . . ? B9 N1 C3 C4 149.30(13) . . . . ? B9 N1 C6 C5 -151.11(13) . . . . ? B9 N1 C6 C7 40.7(2) . . . . ? B9 B3 B4 B5 101.13(12) . . . . ? B9 B3 B4 B6 37.89(10) . . . . ? B9 B3 B4 C12 133.80(11) . . . . ? B9 B3 B8 B1 -102.00(12) . . . . ? B9 B3 B8 B2 -139.27(12) . . . . ? B9 B3 B8 N2 108.73(14) . . . . ? B9 B3 B8 B7 -38.65(10) . . . . ? B9 B3 C12 B2 102.90(12) . . . . ? B9 B3 C12 B4 -40.82(10) . . . . ? B9 B3 C12 B5 -4.56(16) . . . . ? B9 B3 C12 B10 66.23(15) . . . . ? B9 B4 B5 B6 -37.74(11) . . . . ? B9 B4 B5 B10 63.78(15) . . . . ? B9 B4 B5 C12 96.52(12) . . . . ? B9 B4 B5 C13 2.46(15) . . . . ? B9 B4 B6 B5 137.73(12) . . . . ? B9 B4 B6 B7 37.74(11) . . . . ? B9 B4 B6 C13 98.06(12) . . . . ? B9 B4 C12 B2 4.89(15) . . . . ? B9 B4 C12 B3 40.51(10) . . . . ? B9 B4 C12 B5 -102.02(12) . . . . ? B9 B4 C12 B10 -65.18(15) . . . . ? B9 B6 B7 B1 100.69(12) . . . . ? B9 B6 B7 B8 37.81(10) . . . . ? B9 B6 B7 C13 133.74(12) . . . . ? B9 B6 C13 B1 -2.80(16) . . . . ? B9 B6 C13 B5 103.16(12) . . . . ? B9 B6 C13 B7 -39.93(10) . . . . ? B9 B6 C13 B10 67.25(15) . . . . ? B9 B7 B8 B1 139.03(12) . . . . ? B9 B7 B8 B2 101.81(12) . . . . ? B9 B7 B8 N2 -106.60(15) . . . . ? B9 B7 B8 B3 39.10(10) . . . . ? B9 B7 C13 B1 -102.13(12) . . . . ? B9 B7 C13 B5 4.41(17) . . . . ? B9 B7 C13 B6 40.46(11) . . . . ? B9 B7 C13 B10 -66.36(15) . . . . ? C9 C10 C11 N2 1.0(2) . . . . ? B10 B1 B2 B3 -100.47(13) . . . . ? B10 B1 B2 B8 -137.89(13) . . . . ? B10 B1 B2 C12 -39.58(11) . . . . ? B10 B1 B7 B6 0.81(15) . . . . ? B10 B1 B7 B8 101.00(13) . . . . ? B10 B1 B7 B9 64.48(14) . . . . ? B10 B1 B7 C13 -32.33(11) . . . . ? B10 B1 B8 B2 37.42(12) . . . . ? B10 B1 B8 N2 147.30(14) . . . . ? B10 B1 B8 B3 0.23(16) . . . . ? B10 B1 B8 B7 -100.67(13) . . . . ? B10 B1 B8 B9 -63.97(15) . . . . ? B10 B1 C13 B5 36.39(12) . . . . ? B10 B1 C13 B6 106.38(13) . . . . ? B10 B1 C13 B7 143.46(12) . . . . ? B10 B2 B3 B4 0.56(16) . . . . ? B10 B2 B3 B8 -100.53(13) . . . . ? B10 B2 B3 B9 -64.03(15) . . . . ? B10 B2 B3 C12 33.13(11) . . . . ? B10 B2 B8 B1 -37.51(12) . . . . ? B10 B2 B8 N2 -152.13(13) . . . . ? B10 B2 B8 B3 100.33(13) . . . . ? B10 B2 B8 B7 -0.03(15) . . . . ? B10 B2 B8 B9 63.33(14) . . . . ? B10 B2 C12 B3 -142.24(12) . . . . ? B10 B2 C12 B4 -106.79(13) . . . . ? B10 B2 C12 B5 -36.79(12) . . . . ? B10 B5 B6 B4 -100.96(13) . . . . ? B10 B5 B6 B7 0.22(15) . . . . ? B10 B5 B6 B9 -62.77(14) . . . . ? B10 B5 B6 C13 32.41(11) . . . . ? B10 B5 C12 B2 36.35(12) . . . . ? B10 B5 C12 B3 106.56(14) . . . . ? B10 B5 C12 B4 142.81(12) . . . . ? B10 B5 C13 B1 -36.12(12) . . . . ? B10 B5 C13 B6 -143.49(12) . . . . ? B10 B5 C13 B7 -107.12(14) . . . . ? C11 N2 B8 B1 -4.2(2) . . . . ? C11 N2 B8 B2 68.90(19) . . . . ? C11 N2 B8 B3 139.23(15) . . . . ? C11 N2 B8 B7 -78.8(2) . . . . ? C11 N2 B8 B9 -149.95(14) . . . . ? C11 N2 C8 C7 174.07(14) . . . . ? C11 N2 C8 C9 0.35(17) . . . . ? C12 B2 B3 B4 -32.57(11) . . . . ? C12 B2 B3 B8 -133.66(12) . . . . ? C12 B2 B3 B9 -97.16(12) . . . . ? C12 B2 B8 B1 -98.35(13) . . . . ? C12 B2 B8 N2 147.03(13) . . . . ? C12 B2 B8 B3 39.49(10) . . . . ? C12 B2 B8 B7 -60.87(14) . . . . ? C12 B2 B8 B9 2.49(14) . . . . ? C12 B2 B10 B1 133.50(12) . . . . ? C12 B2 B10 B5 32.61(11) . . . . ? C12 B2 B10 C13 93.64(12) . . . . ? C12 B3 B4 B5 -32.67(11) . . . . ? C12 B3 B4 B6 -95.91(12) . . . . ? C12 B3 B4 B9 -133.80(11) . . . . ? C12 B3 B8 B1 -2.51(15) . . . . ? C12 B3 B8 B2 -39.78(11) . . . . ? C12 B3 B8 N2 -151.78(13) . . . . ? C12 B3 B8 B7 60.84(14) . . . . ? C12 B3 B8 B9 99.49(12) . . . . ? C12 B3 B9 N1 153.61(12) . . . . ? C12 B3 B9 B4 40.12(10) . . . . ? C12 B3 B9 B6 3.14(14) . . . . ? C12 B3 B9 B7 -59.83(14) . . . . ? C12 B3 B9 B8 -98.61(12) . . . . ? C12 B4 B5 B6 -134.26(12) . . . . ? C12 B4 B5 B10 -32.75(11) . . . . ? C12 B4 B5 C13 -94.06(13) . . . . ? C12 B4 B6 B5 38.82(11) . . . . ? C12 B4 B6 B7 -61.16(14) . . . . ? C12 B4 B6 B9 -98.91(12) . . . . ? C12 B4 B6 C13 -0.85(14) . . . . ? C12 B4 B9 N1 -144.36(13) . . . . ? C12 B4 B9 B3 -39.38(10) . . . . ? C12 B4 B9 B6 98.29(12) . . . . ? C12 B4 B9 B7 60.60(14) . . . . ? C12 B4 B9 B8 -2.90(13) . . . . ? C12 B5 B6 B4 -39.89(11) . . . . ? C12 B5 B6 B7 61.30(14) . . . . ? C12 B5 B6 B9 -1.70(15) . . . . ? C12 B5 B6 C13 93.49(13) . . . . ? C12 B5 B10 B1 -96.98(13) . . . . ? C12 B5 B10 B2 -32.96(11) . . . . ? C12 B5 B10 C13 -129.88(12) . . . . ? C12 B5 C13 B1 5.47(15) . . . . ? C12 B5 C13 B6 -101.90(11) . . . . ? C12 B5 C13 B7 -65.53(15) . . . . ? C12 B5 C13 B10 41.59(10) . . . . ? C12 B10 C13 B1 101.30(12) . . . . ? C12 B10 C13 B5 -41.58(11) . . . . ? C12 B10 C13 B6 -5.91(16) . . . . ? C12 B10 C13 B7 65.13(15) . . . . ? C13 B1 B2 B3 -60.86(14) . . . . ? C13 B1 B2 B8 -98.28(12) . . . . ? C13 B1 B2 B10 39.61(11) . . . . ? C13 B1 B2 C12 0.03(14) . . . . ? C13 B1 B7 B6 33.14(10) . . . . ? C13 B1 B7 B8 133.33(12) . . . . ? C13 B1 B7 B9 96.81(12) . . . . ? C13 B1 B8 B2 98.66(13) . . . . ? C13 B1 B8 N2 -151.46(13) . . . . ? C13 B1 B8 B3 61.46(14) . . . . ? C13 B1 B8 B7 -39.44(11) . . . . ? C13 B1 B8 B9 -2.74(15) . . . . ? C13 B1 B10 B2 -133.70(12) . . . . ? C13 B1 B10 B5 -32.68(11) . . . . ? C13 B1 B10 C12 -93.56(13) . . . . ? C13 B5 B6 B4 -133.38(12) . . . . ? C13 B5 B6 B7 -32.19(10) . . . . ? C13 B5 B6 B9 -95.19(12) . . . . ? C13 B5 B10 B1 32.90(11) . . . . ? C13 B5 B10 B2 96.91(13) . . . . ? C13 B5 B10 C12 129.88(12) . . . . ? C13 B5 C12 B2 -5.48(15) . . . . ? C13 B5 C12 B3 64.73(15) . . . . ? C13 B5 C12 B4 100.98(12) . . . . ? C13 B5 C12 B10 -41.84(11) . . . . ? C13 B6 B7 B1 -33.05(10) . . . . ? C13 B6 B7 B8 -95.93(12) . . . . ? C13 B6 B7 B9 -133.74(12) . . . . ? C13 B6 B9 N1 151.60(13) . . . . ? C13 B6 B9 B3 -61.77(13) . . . . ? C13 B6 B9 B4 -98.58(12) . . . . ? C13 B6 B9 B7 39.03(10) . . . . ? C13 B6 B9 B8 0.82(14) . . . . ? C13 B7 B8 B1 39.76(11) . . . . ? C13 B7 B8 B2 2.54(14) . . . . ? C13 B7 B8 N2 154.14(13) . . . . ? C13 B7 B8 B3 -60.16(13) . . . . ? C13 B7 B8 B9 -99.26(12) . . . . ? C13 B7 B9 N1 -157.00(13) . . . . ? C13 B7 B9 B3 59.28(14) . . . . ? C13 B7 B9 B4 -2.49(15) . . . . ? C13 B7 B9 B6 -39.74(11) . . . . ? C13 B7 B9 B8 97.68(12) . . . . ? C13 B10 C12 B2 -101.26(12) . . . . ? C13 B10 C12 B3 -64.45(15) . . . . ? C13 B10 C12 B4 5.28(16) . . . . ? C13 B10 C12 B5 41.66(11) . . . . ?