#------------------------------------------------------------------------------ #$Date: 2024-08-05 21:01:50 +0300 (Mon, 05 Aug 2024) $ #$Revision: 293754 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/17/1571747.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_1571747 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 'C18 H20 B10 N2' _chemical_formula_sum 'C18 H20 B10 N2' _chemical_formula_weight 372.46 _chemical_name_systematic 123 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary iterative _audit_creation_date 2023-09-26 _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 94.249(15) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.3214(15) _cell_length_b 22.248(4) _cell_length_c 12.425(3) _cell_measurement_reflns_used 5164 _cell_measurement_temperature 302.00 _cell_measurement_theta_max 68.022 _cell_measurement_theta_min 3.567 _cell_volume 2018.3(7) _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 'olex2.solve 1.5 (Bourhis et al., 2015)' _diffrn_ambient_temperature 302.00 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.991 _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 0.0842 _diffrn_reflns_av_unetI/netI 0.0739 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.991 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 17104 _diffrn_reflns_point_group_measured_fraction_full 0.911 _diffrn_reflns_point_group_measured_fraction_max 0.902 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 68.420 _diffrn_reflns_theta_min 3.567 _diffrn_source_current 1.1 _diffrn_source_power 0.05500000000000001 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.474 _exptl_absorpt_correction_T_max 0.7531 _exptl_absorpt_correction_T_min 0.6209 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1450 before and 0.0613 after correction. The Ratio of minimum to maximum transmission is 0.8245. 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 1.226 _exptl_crystal_description block _exptl_crystal_F_000 768 _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.11 _refine_diff_density_max 0.223 _refine_diff_density_min -0.175 _refine_diff_density_rms 0.041 _refine_ls_abs_structure_details ; Flack x determined using 2007 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.2(2) _refine_ls_extinction_coef 0.0025(4) _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 1.050 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 542 _refine_ls_number_reflns 6680 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.050 _refine_ls_R_factor_all 0.0660 _refine_ls_R_factor_gt 0.0442 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0690P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1126 _refine_ls_wR_factor_ref 0.1219 _reflns_Friedel_coverage 0.772 _reflns_Friedel_fraction_full 0.819 _reflns_Friedel_fraction_max 0.809 _reflns_number_gt 5371 _reflns_number_total 6680 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL cu_20230925_zm_hdlg_zmj_4_62_0_a.res in P2(1) cu_20230925_zm_hdlg_zmj_4_57_0.res created by SHELXL-2018/3 at 10:48:59 on 26-Sep-2023 REM Old TITL cu_20230925_ZM_HDLG_ZMJ_4_62_0 in P2(1) REM SHELXT solution in P2(1): R1 0.162, Rweak 0.035, Alpha 0.004 REM 0.490 for 13 systematic absences, Orientation as input REM Flack x = 0.042 ( 0.199 ) from 2268 Parsons' quotients REM Formula found by SHELXT: C35 B20 N5 CELL 1.54178 7.3214 22.2476 12.4248 90 94.249 90 ZERR 4 0.0015 0.0041 0.0028 0 0.015 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H B N UNIT 72 80 40 8 L.S. 4 0 0 PLAN 5 SIZE 0.11 0.12 0.13 TEMP 28.85 CONF BOND list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.069000 EXTI 0.002475 FVAR 0.48146 N1 4 0.907483 0.386984 0.806349 11.00000 0.04201 0.03739 = 0.05150 -0.00101 0.01074 -0.00552 C1 1 0.977073 0.421910 0.725194 11.00000 0.03864 0.03443 = 0.06217 0.00649 0.01771 0.00128 N2 4 0.750984 0.384660 0.579101 11.00000 0.04686 0.04063 = 0.05772 0.00915 0.01193 -0.00073 C2 1 1.119315 0.455652 0.769029 11.00000 0.03752 0.03806 = 0.06751 0.00565 0.01186 -0.00321 AFIX 43 H2 2 1.188705 0.482544 0.731794 11.00000 -1.20000 AFIX 0 C3 1 1.143446 0.442837 0.880648 11.00000 0.03919 0.03129 = 0.06771 -0.00506 0.01033 0.00121 C4 1 1.264480 0.463269 0.966125 11.00000 0.05277 0.03835 = 0.08421 -0.00478 0.00671 -0.00682 AFIX 43 H4 2 1.355150 0.491156 0.953647 11.00000 -1.20000 AFIX 0 C5 1 1.246909 0.441551 1.067747 11.00000 0.07123 0.05073 = 0.06879 -0.01211 -0.00139 -0.00508 AFIX 43 H5 2 1.326751 0.454740 1.124558 11.00000 -1.20000 AFIX 0 C6 1 1.111166 0.399955 1.087457 11.00000 0.08237 0.05308 = 0.06053 -0.00290 0.00745 -0.00709 AFIX 43 H6 2 1.101178 0.386321 1.157534 11.00000 -1.20000 AFIX 0 C7 1 0.991621 0.378571 1.005840 11.00000 0.06810 0.04876 = 0.06244 -0.00215 0.00892 -0.01324 AFIX 43 H7 2 0.902288 0.350462 1.019650 11.00000 -1.20000 AFIX 0 C8 1 1.008123 0.400126 0.902378 11.00000 0.04470 0.03369 = 0.05683 -0.00488 0.01297 0.00056 C9 1 0.902062 0.419941 0.613910 11.00000 0.03958 0.04241 = 0.05971 0.00563 0.01305 0.00035 C10 1 0.962352 0.450747 0.527012 11.00000 0.05345 0.05660 = 0.07464 0.01566 0.01773 -0.00988 AFIX 43 H10 2 1.060773 0.477243 0.528705 11.00000 -1.20000 AFIX 0 B11 3 0.656655 0.344011 0.652137 11.00000 0.03845 0.03547 = 0.05709 0.00525 0.01070 0.00006 C11 1 0.847105 0.434740 0.434413 11.00000 0.05870 0.05430 = 0.06371 0.01305 0.01598 0.00267 C12 1 0.715925 0.393674 0.468413 11.00000 0.05041 0.04635 = 0.06011 0.01032 0.01084 0.00971 B12 3 0.415860 0.329894 0.650613 11.00000 0.04245 0.04658 = 0.07167 0.00794 0.00562 -0.00122 AFIX 153 H12 2 0.315490 0.348460 0.589186 11.00000 -1.20000 AFIX 0 C13 1 0.581787 0.370066 0.397793 11.00000 0.06452 0.04979 = 0.06219 0.00983 0.00228 -0.00007 AFIX 43 H13 2 0.495594 0.343564 0.422050 11.00000 -1.20000 AFIX 0 B13 3 0.571489 0.270545 0.622358 11.00000 0.04822 0.04430 = 0.05891 -0.00074 0.00754 -0.00278 AFIX 153 H13A 2 0.574192 0.250101 0.541882 11.00000 -1.20000 AFIX 0 C14 1 0.576346 0.386154 0.290197 11.00000 0.08397 0.07243 = 0.06742 0.01290 -0.00787 0.00755 AFIX 43 H14 2 0.486424 0.370453 0.241327 11.00000 -1.20000 AFIX 0 B14 3 0.392372 0.257724 0.706919 11.00000 0.04880 0.04676 = 0.07514 -0.00099 0.00726 -0.01265 AFIX 153 H14A 2 0.275892 0.228647 0.680805 11.00000 -1.20000 AFIX 0 B15 3 0.774156 0.279791 0.708727 11.00000 0.04550 0.03649 = 0.05632 -0.00126 0.01277 0.00319 AFIX 153 H15 2 0.907554 0.264667 0.683572 11.00000 -1.20000 AFIX 0 C15 1 0.707241 0.426313 0.255056 11.00000 0.09033 0.08040 = 0.06293 0.02449 0.00854 0.00702 AFIX 43 H15A 2 0.703786 0.436385 0.182289 11.00000 -1.20000 AFIX 0 B16 3 0.749178 0.345797 0.786451 11.00000 0.03949 0.03214 = 0.05871 -0.00152 0.01658 -0.00371 C16 1 0.839403 0.450994 0.324616 11.00000 0.07993 0.07694 = 0.06614 0.02406 0.01507 -0.00385 AFIX 43 H16 2 0.923252 0.478174 0.299883 11.00000 -1.20000 AFIX 0 C17 1 0.382020 0.320036 0.784293 11.00000 0.04233 0.04502 = 0.08124 0.00072 0.02138 -0.00447 AFIX 153 H17 2 0.247174 0.332863 0.810522 11.00000 -1.20000 AFIX 0 B17 3 0.526030 0.375216 0.753589 11.00000 0.03948 0.03604 = 0.07682 0.00373 0.02072 -0.00136 AFIX 153 H17A 2 0.495046 0.423491 0.758134 11.00000 -1.20000 AFIX 0 B18 3 0.568035 0.332402 0.872295 11.00000 0.05488 0.04393 = 0.06616 -0.00219 0.02679 -0.00647 AFIX 153 H18 2 0.565202 0.352791 0.952809 11.00000 -1.20000 AFIX 0 C18 1 0.605198 0.233475 0.743263 11.00000 0.05671 0.03322 = 0.06787 -0.00095 0.00903 -0.00341 AFIX 153 H18A 2 0.628803 0.184697 0.740162 11.00000 -1.20000 AFIX 0 B19 3 0.484494 0.259666 0.844541 11.00000 0.05532 0.04029 = 0.07000 0.00298 0.01928 -0.00975 AFIX 153 H19 2 0.427510 0.232182 0.907588 11.00000 -1.20000 AFIX 0 B20 3 0.722254 0.272888 0.844746 11.00000 0.05233 0.03768 = 0.05985 0.00643 0.01050 -0.00339 AFIX 153 H20 2 0.820906 0.253821 0.906601 11.00000 -1.20000 AFIX 0 B1 3 0.125093 0.657340 0.617663 11.00000 0.04086 0.03497 = 0.05678 -0.00275 0.01058 -0.00137 B2 3 0.219942 0.654057 0.753630 11.00000 0.04040 0.03672 = 0.05065 0.00081 0.01064 0.00314 B3 3 0.192846 0.725630 0.815127 11.00000 0.04988 0.04080 = 0.05992 -0.00420 0.01078 0.00436 AFIX 153 H3 2 0.292164 0.743883 0.877459 11.00000 -1.20000 AFIX 0 N3 4 0.378084 0.613047 0.770082 11.00000 0.03852 0.03950 = 0.05429 -0.00132 0.01091 0.00496 B4 3 -0.046179 0.738274 0.816298 11.00000 0.05244 0.04508 = 0.06745 -0.00301 0.01945 0.00911 AFIX 153 H4A 2 -0.103406 0.764615 0.880751 11.00000 -1.20000 AFIX 0 N4 4 0.218845 0.618362 0.542882 11.00000 0.04521 0.04125 = 0.05249 -0.00348 0.01046 -0.00048 B5 3 -0.140022 0.742340 0.680242 11.00000 0.04821 0.03898 = 0.08380 -0.00075 0.01663 0.00947 AFIX 153 H5A 2 -0.257347 0.771591 0.656643 11.00000 -1.20000 AFIX 0 B6 3 0.036830 0.731437 0.594045 11.00000 0.05047 0.03745 = 0.06176 0.00243 0.00751 0.00614 AFIX 153 H6A 2 0.036405 0.753469 0.514769 11.00000 -1.20000 AFIX 0 B7 3 0.242245 0.721300 0.677862 11.00000 0.03993 0.03547 = 0.06208 0.00057 0.01303 -0.00086 AFIX 153 H7A 2 0.374518 0.737146 0.652153 11.00000 -1.20000 AFIX 0 B8 3 -0.114981 0.671335 0.619687 11.00000 0.04458 0.04200 = 0.07690 -0.00541 0.01060 0.00491 AFIX 153 H8 2 -0.215588 0.653520 0.557630 11.00000 -1.20000 AFIX 0 B9 3 -0.002910 0.624419 0.719370 11.00000 0.04343 0.03699 = 0.06716 0.00020 0.01805 0.00086 AFIX 153 H9 2 -0.032574 0.575980 0.721414 11.00000 -1.20000 AFIX 0 B10 3 0.040173 0.665286 0.841075 11.00000 0.05051 0.04146 = 0.06077 0.00332 0.02041 0.00695 AFIX 153 H10A 2 0.039086 0.643623 0.920608 11.00000 -1.20000 AFIX 0 C19 1 0.588477 0.544842 0.726755 11.00000 0.04309 0.03695 = 0.06866 -0.00159 0.01730 0.00043 AFIX 43 H19A 2 0.656925 0.518766 0.687263 11.00000 -1.20000 AFIX 0 C20 1 0.613455 0.555047 0.839506 11.00000 0.04065 0.03360 = 0.06728 0.00638 0.01379 0.00227 C21 1 0.734721 0.532807 0.922888 11.00000 0.04694 0.04465 = 0.08330 0.01213 0.00786 0.00243 AFIX 43 H21 2 0.823844 0.504839 0.908022 11.00000 -1.20000 AFIX 0 C22 1 0.720743 0.552634 1.026374 11.00000 0.05609 0.05410 = 0.07730 0.01594 -0.00223 0.00171 AFIX 43 H22 2 0.800365 0.537638 1.081738 11.00000 -1.20000 AFIX 0 C23 1 0.588565 0.595077 1.050022 11.00000 0.06878 0.05943 = 0.05781 0.00524 0.00147 -0.00045 AFIX 43 H23 2 0.582437 0.608030 1.120830 11.00000 -1.20000 AFIX 0 C24 1 0.467028 0.618106 0.970244 11.00000 0.05367 0.04926 = 0.06043 -0.00108 0.01068 0.00635 AFIX 43 H24 2 0.378895 0.646215 0.986072 11.00000 -1.20000 AFIX 0 C25 1 0.481216 0.597668 0.864931 11.00000 0.04113 0.03667 = 0.05599 0.00367 0.00964 0.00079 C26 1 0.447514 0.579670 0.686396 11.00000 0.04031 0.03193 = 0.05911 -0.00120 0.01411 -0.00055 C27 1 0.373569 0.583864 0.574458 11.00000 0.04031 0.03701 = 0.05717 -0.00427 0.01245 -0.00050 C28 1 0.434093 0.555934 0.486852 11.00000 0.05263 0.05185 = 0.06675 -0.01203 0.01471 0.00891 AFIX 43 H28 2 0.534766 0.530452 0.486675 11.00000 -1.20000 AFIX 0 C29 1 0.316694 0.572421 0.395281 11.00000 0.05629 0.04908 = 0.05977 -0.01254 0.01124 -0.00468 C30 1 0.182385 0.610716 0.431896 11.00000 0.04995 0.03939 = 0.05320 -0.00873 0.00849 -0.00574 C31 1 0.041543 0.634425 0.363847 11.00000 0.05911 0.04979 = 0.06155 -0.00559 0.00025 -0.00162 AFIX 43 H31 2 -0.047556 0.659223 0.389781 11.00000 -1.20000 AFIX 0 C32 1 0.039769 0.619407 0.255189 11.00000 0.07883 0.05612 = 0.05936 -0.00524 -0.00255 -0.01159 AFIX 43 H32 2 -0.052218 0.634656 0.207183 11.00000 -1.20000 AFIX 0 C33 1 0.172586 0.582078 0.216765 11.00000 0.08382 0.06917 = 0.05881 -0.01690 0.00677 -0.01488 AFIX 43 H33 2 0.167737 0.572598 0.143709 11.00000 -1.20000 AFIX 0 C34 1 0.309864 0.559184 0.284806 11.00000 0.07296 0.06020 = 0.06669 -0.02012 0.01597 -0.00196 AFIX 43 H34 2 0.398999 0.534777 0.257892 11.00000 -1.20000 AFIX 0 C35 1 0.074527 0.766409 0.716546 11.00000 0.04930 0.03218 = 0.07206 -0.00248 0.01628 0.00313 AFIX 153 H35 2 0.099095 0.815185 0.716247 11.00000 -1.20000 AFIX 0 C36 1 -0.148953 0.678802 0.753786 11.00000 0.04558 0.04169 = 0.08080 -0.00016 0.02598 0.00448 AFIX 153 H36 2 -0.283324 0.665197 0.779695 11.00000 -1.20000 AFIX 0 HKLF 4 REM cu_20230925_zm_hdlg_zmj_4_62_0_a.res in P2(1) REM wR2 = 0.1219, GooF = S = 1.050, Restrained GooF = 1.050 for all data REM R1 = 0.0442 for 5371 Fo > 4sig(Fo) and 0.0660 for all 6680 data REM 542 parameters refined using 1 restraints END WGHT 0.0690 0.0000 REM Highest difference peak 0.223, deepest hole -0.175, 1-sigma level 0.041 Q1 1 0.6071 0.2789 0.8549 11.00000 0.05 0.22 Q2 1 0.0770 0.7244 0.8257 11.00000 0.05 0.21 Q3 1 0.4623 0.2772 0.6540 11.00000 0.05 0.21 Q4 1 0.5721 0.5859 0.8541 11.00000 0.05 0.18 Q5 1 -0.0203 0.7399 0.6575 11.00000 0.05 0.18 REM The information below was added by Olex2. REM REM R1 = 0.0442 for 5371 Fo > 4sig(Fo) and 0.0660 for all 17129 data REM 542 parameters refined using n/a restraints REM Highest difference peak 0.22, deepest hole -0.17 REM Mean Shift 0, Max Shift -0.001. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0660 REM R1_gt = 0.0442 REM wR_ref = 0.1219 REM GOOF = 1.050 REM Shift_max = -0.001 REM Shift_mean = 0 REM Reflections_all = 17129 REM Reflections_gt = 5371 REM Parameters = 542 REM Hole = -0.17 REM Peak = 0.22 REM Flack = -0.2(3) ; _cod_data_source_file d4sc02214a2.cif _cod_data_source_block cu_20230925_zm_hdlg_zmj_4_57_0 _cod_depositor_comments 'Adding full bibliography for 1571739--1571749.cif.' _cod_original_cell_volume 2018.2(7) _cod_database_code 1571747 _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 0.950 _shelx_estimated_absorpt_t_min 0.941 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All B(H) groups, All C(H) groups 2.a Aromatic/amide H refined with riding coordinates: C2(H2), C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C13(H13), C14(H14), C15(H15A), C16(H16), C19(H19A), C21(H21), C22(H22), C23(H23), C24(H24), C28(H28), C31(H31), C32(H32), C33(H33), C34(H34) 2.b Boron cage BH refined with riding coordinates: B12(H12), B13(H13A), B14(H14A), B15(H15), C17(H17), B17(H17A), B18(H18), C18(H18A), B19(H19), B20(H20), B3(H3), B4(H4A), B5(H5A), B6(H6A), B7(H7A), B8(H8), B9(H9), B10(H10A), C35(H35), C36(H36) ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group N1 N 0.9075(4) 0.38698(12) 0.8063(2) 0.0433(6) Uani 1 1 d . . . . . C1 C 0.9771(5) 0.42191(14) 0.7252(3) 0.0444(8) Uani 1 1 d . . . . . N2 N 0.7510(4) 0.38466(12) 0.5791(2) 0.0480(7) Uani 1 1 d . . . . . C2 C 1.1193(5) 0.45565(14) 0.7690(3) 0.0473(8) Uani 1 1 d . . . . . H2 H 1.188705 0.482544 0.731794 0.057 Uiso 1 1 calc R U . . . C3 C 1.1434(5) 0.44284(14) 0.8806(3) 0.0457(8) Uani 1 1 d . . . . . C4 C 1.2645(5) 0.46327(16) 0.9661(3) 0.0584(10) Uani 1 1 d . . . . . H4 H 1.355150 0.491156 0.953647 0.070 Uiso 1 1 calc R U . . . C5 C 1.2469(6) 0.44155(17) 1.0677(4) 0.0639(11) Uani 1 1 d . . . . . H5 H 1.326751 0.454740 1.124558 0.077 Uiso 1 1 calc R U . . . C6 C 1.1112(6) 0.39996(17) 1.0875(3) 0.0652(11) Uani 1 1 d . . . . . H6 H 1.101178 0.386321 1.157534 0.078 Uiso 1 1 calc R U . . . C7 C 0.9916(6) 0.37857(16) 1.0058(3) 0.0596(10) Uani 1 1 d . . . . . H7 H 0.902288 0.350462 1.019650 0.071 Uiso 1 1 calc R U . . . C8 C 1.0081(5) 0.40013(14) 0.9024(3) 0.0446(8) Uani 1 1 d . . . . . C9 C 0.9021(5) 0.41994(15) 0.6139(3) 0.0468(9) Uani 1 1 d . . . . . C10 C 0.9624(6) 0.45075(17) 0.5270(3) 0.0609(10) Uani 1 1 d . . . . . H10 H 1.060773 0.477243 0.528705 0.073 Uiso 1 1 calc R U . . . B11 B 0.6567(5) 0.34401(16) 0.6521(3) 0.0433(9) Uani 1 1 d . . . . . C11 C 0.8471(6) 0.43474(17) 0.4344(3) 0.0583(10) Uani 1 1 d . . . . . C12 C 0.7159(5) 0.39367(16) 0.4684(3) 0.0520(9) Uani 1 1 d . . . . . B12 B 0.4159(6) 0.32989(17) 0.6506(4) 0.0535(10) Uani 1 1 d . . . . . H12 H 0.315490 0.348460 0.589186 0.064 Uiso 1 1 calc R U . . . C13 C 0.5818(6) 0.37007(17) 0.3978(3) 0.0590(10) Uani 1 1 d . . . . . H13 H 0.495594 0.343564 0.422050 0.071 Uiso 1 1 calc R U . . . B13 B 0.5715(6) 0.27054(18) 0.6224(4) 0.0503(9) Uani 1 1 d . . . . . H13A H 0.574192 0.250101 0.541882 0.060 Uiso 1 1 calc R U . . . C14 C 0.5763(7) 0.3862(2) 0.2902(4) 0.0753(12) Uani 1 1 d . . . . . H14 H 0.486424 0.370453 0.241327 0.090 Uiso 1 1 calc R U . . . B14 B 0.3924(6) 0.25772(18) 0.7069(4) 0.0568(11) Uani 1 1 d . . . . . H14A H 0.275892 0.228647 0.680805 0.068 Uiso 1 1 calc R U . . . B15 B 0.7742(6) 0.27979(15) 0.7087(3) 0.0457(9) Uani 1 1 d . . . . . H15 H 0.907554 0.264667 0.683572 0.055 Uiso 1 1 calc R U . . . C15 C 0.7072(7) 0.4263(2) 0.2551(4) 0.0777(13) Uani 1 1 d . . . . . H15A H 0.703786 0.436385 0.182289 0.093 Uiso 1 1 calc R U . . . B16 B 0.7492(5) 0.34580(16) 0.7865(3) 0.0428(9) Uani 1 1 d . . . . . C16 C 0.8394(7) 0.4510(2) 0.3246(4) 0.0739(12) Uani 1 1 d . . . . . H16 H 0.923252 0.478174 0.299883 0.089 Uiso 1 1 calc R U . . . C17 C 0.3820(5) 0.32004(15) 0.7843(3) 0.0554(9) Uani 1 1 d . . . . . H17 H 0.247174 0.332863 0.810522 0.066 Uiso 1 1 calc R U . . . B17 B 0.5260(5) 0.37522(17) 0.7536(4) 0.0500(10) Uani 1 1 d . . . . . H17A H 0.495046 0.423491 0.758134 0.060 Uiso 1 1 calc R U . . . B18 B 0.5680(6) 0.33240(17) 0.8723(4) 0.0539(11) Uani 1 1 d . . . . . H18 H 0.565202 0.352791 0.952809 0.065 Uiso 1 1 calc R U . . . C18 C 0.6052(5) 0.23348(15) 0.7433(3) 0.0524(9) Uani 1 1 d . . . . . H18A H 0.628803 0.184697 0.740162 0.063 Uiso 1 1 calc R U . . . B19 B 0.4845(6) 0.25967(18) 0.8445(4) 0.0545(10) Uani 1 1 d . . . . . H19 H 0.427510 0.232182 0.907588 0.065 Uiso 1 1 calc R U . . . B20 B 0.7223(6) 0.27289(17) 0.8447(3) 0.0496(9) Uani 1 1 d . . . . . H20 H 0.820906 0.253821 0.906601 0.060 Uiso 1 1 calc R U . . . B1 B 0.1251(5) 0.65734(16) 0.6177(3) 0.0439(8) Uani 1 1 d . . . . . B2 B 0.2199(5) 0.65406(16) 0.7536(3) 0.0422(8) Uani 1 1 d . . . . . B3 B 0.1928(6) 0.72563(17) 0.8151(4) 0.0499(9) Uani 1 1 d . . . . . H3 H 0.292164 0.743883 0.877459 0.060 Uiso 1 1 calc R U . . . N3 N 0.3781(4) 0.61305(12) 0.7701(2) 0.0437(6) Uani 1 1 d . . . . . B4 B -0.0462(6) 0.73827(18) 0.8163(4) 0.0542(10) Uani 1 1 d . . . . . H4A H -0.103406 0.764615 0.880751 0.065 Uiso 1 1 calc R U . . . N4 N 0.2188(4) 0.61836(12) 0.5429(2) 0.0460(7) Uani 1 1 d . . . . . B5 B -0.1400(6) 0.74234(17) 0.6802(4) 0.0564(11) Uani 1 1 d . . . . . H5A H -0.257347 0.771591 0.656643 0.068 Uiso 1 1 calc R U . . . B6 B 0.0368(6) 0.73144(17) 0.5940(4) 0.0497(9) Uani 1 1 d . . . . . H6A H 0.036405 0.753469 0.514769 0.060 Uiso 1 1 calc R U . . . B7 B 0.2422(5) 0.72130(15) 0.6779(3) 0.0454(9) Uani 1 1 d . . . . . H7A H 0.374518 0.737146 0.652153 0.054 Uiso 1 1 calc R U . . . B8 B -0.1150(6) 0.67133(17) 0.6197(4) 0.0542(10) Uani 1 1 d . . . . . H8 H -0.215588 0.653520 0.557630 0.065 Uiso 1 1 calc R U . . . B9 B -0.0029(6) 0.62442(17) 0.7194(3) 0.0485(9) Uani 1 1 d . . . . . H9 H -0.032574 0.575980 0.721414 0.058 Uiso 1 1 calc R U . . . B10 B 0.0402(6) 0.66529(17) 0.8411(4) 0.0501(10) Uani 1 1 d . . . . . H10A H 0.039086 0.643623 0.920608 0.060 Uiso 1 1 calc R U . . . C19 C 0.5885(5) 0.54484(14) 0.7268(3) 0.0489(8) Uani 1 1 d . . . . . H19A H 0.656925 0.518766 0.687263 0.059 Uiso 1 1 calc R U . . . C20 C 0.6135(5) 0.55505(14) 0.8395(3) 0.0467(9) Uani 1 1 d . . . . . C21 C 0.7347(5) 0.53281(16) 0.9229(4) 0.0581(10) Uani 1 1 d . . . . . H21 H 0.823844 0.504839 0.908022 0.070 Uiso 1 1 calc R U . . . C22 C 0.7207(6) 0.55263(17) 1.0264(4) 0.0629(11) Uani 1 1 d . . . . . H22 H 0.800365 0.537638 1.081738 0.075 Uiso 1 1 calc R U . . . C23 C 0.5886(6) 0.59508(17) 1.0500(3) 0.0622(10) Uani 1 1 d . . . . . H23 H 0.582437 0.608030 1.120830 0.075 Uiso 1 1 calc R U . . . C24 C 0.4670(5) 0.61811(16) 0.9702(3) 0.0541(9) Uani 1 1 d . . . . . H24 H 0.378895 0.646215 0.986072 0.065 Uiso 1 1 calc R U . . . C25 C 0.4812(5) 0.59767(14) 0.8649(3) 0.0443(8) Uani 1 1 d . . . . . C26 C 0.4475(5) 0.57967(14) 0.6864(3) 0.0433(8) Uani 1 1 d . . . . . C27 C 0.3736(5) 0.58386(14) 0.5745(3) 0.0444(8) Uani 1 1 d . . . . . C28 C 0.4341(6) 0.55593(17) 0.4869(3) 0.0566(10) Uani 1 1 d . . . . . H28 H 0.534766 0.530452 0.486675 0.068 Uiso 1 1 calc R U . . . C29 C 0.3167(6) 0.57242(16) 0.3953(3) 0.0547(9) Uani 1 1 d . . . . . C30 C 0.1824(5) 0.61072(15) 0.4319(3) 0.0473(8) Uani 1 1 d . . . . . C31 C 0.0415(6) 0.63442(16) 0.3638(3) 0.0570(10) Uani 1 1 d . . . . . H31 H -0.047556 0.659223 0.389781 0.068 Uiso 1 1 calc R U . . . C32 C 0.0398(7) 0.61941(18) 0.2552(3) 0.0651(11) Uani 1 1 d . . . . . H32 H -0.052218 0.634656 0.207183 0.078 Uiso 1 1 calc R U . . . C33 C 0.1726(7) 0.58208(19) 0.2168(4) 0.0705(12) Uani 1 1 d . . . . . H33 H 0.167737 0.572598 0.143709 0.085 Uiso 1 1 calc R U . . . C34 C 0.3099(7) 0.55918(18) 0.2848(4) 0.0661(11) Uani 1 1 d . . . . . H34 H 0.398999 0.534777 0.257892 0.079 Uiso 1 1 calc R U . . . C35 C 0.0745(5) 0.76641(14) 0.7165(3) 0.0506(8) Uani 1 1 d . . . . . H35 H 0.099095 0.815185 0.716247 0.061 Uiso 1 1 calc R U . . . C36 C -0.1490(5) 0.67880(15) 0.7538(3) 0.0550(9) Uani 1 1 d . . . . . H36 H -0.283324 0.665197 0.779695 0.066 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 N1 0.0420(15) 0.0374(14) 0.0515(17) -0.0010(12) 0.0107(13) -0.0055(11) C1 0.0386(18) 0.0344(15) 0.062(2) 0.0065(14) 0.0177(17) 0.0013(13) N2 0.0469(16) 0.0406(15) 0.0577(18) 0.0091(12) 0.0119(14) -0.0007(12) C2 0.0375(18) 0.0381(18) 0.068(3) 0.0056(15) 0.0119(17) -0.0032(13) C3 0.0392(18) 0.0313(16) 0.068(3) -0.0051(14) 0.0103(17) 0.0012(13) C4 0.053(2) 0.0384(19) 0.084(3) -0.0048(17) 0.007(2) -0.0068(15) C5 0.071(3) 0.051(2) 0.069(3) -0.0121(18) -0.001(2) -0.0051(19) C6 0.082(3) 0.053(2) 0.061(3) -0.0029(17) 0.007(2) -0.007(2) C7 0.068(3) 0.049(2) 0.062(2) -0.0022(16) 0.009(2) -0.0132(18) C8 0.0447(18) 0.0337(16) 0.057(2) -0.0049(14) 0.0130(17) 0.0006(13) C9 0.0396(18) 0.0424(18) 0.060(2) 0.0056(15) 0.0131(17) 0.0003(14) C10 0.053(2) 0.057(2) 0.075(3) 0.0157(18) 0.018(2) -0.0099(17) B11 0.038(2) 0.0355(18) 0.057(2) 0.0053(15) 0.0107(18) 0.0001(14) C11 0.059(2) 0.054(2) 0.064(3) 0.0131(17) 0.016(2) 0.0027(18) C12 0.050(2) 0.046(2) 0.060(2) 0.0103(16) 0.0108(18) 0.0097(16) B12 0.042(2) 0.047(2) 0.072(3) 0.0079(18) 0.006(2) -0.0012(17) C13 0.065(3) 0.050(2) 0.062(2) 0.0098(17) 0.002(2) -0.0001(18) B13 0.048(2) 0.044(2) 0.059(3) -0.0007(17) 0.0075(19) -0.0028(17) C14 0.084(3) 0.072(3) 0.067(3) 0.013(2) -0.008(3) 0.008(2) B14 0.049(2) 0.047(2) 0.075(3) -0.0010(19) 0.007(2) -0.0126(18) B15 0.045(2) 0.0365(19) 0.056(2) -0.0013(15) 0.0128(19) 0.0032(15) C15 0.090(4) 0.080(3) 0.063(3) 0.024(2) 0.009(3) 0.007(3) B16 0.039(2) 0.0321(17) 0.059(2) -0.0015(15) 0.0166(18) -0.0037(14) C16 0.080(3) 0.077(3) 0.066(3) 0.024(2) 0.015(3) -0.004(2) C17 0.042(2) 0.0450(19) 0.081(3) 0.0007(17) 0.0214(19) -0.0045(15) B17 0.039(2) 0.0360(18) 0.077(3) 0.0037(16) 0.021(2) -0.0014(15) B18 0.055(2) 0.044(2) 0.066(3) -0.0022(17) 0.027(2) -0.0065(17) C18 0.057(2) 0.0332(17) 0.068(2) -0.0010(15) 0.0090(19) -0.0034(14) B19 0.055(2) 0.040(2) 0.070(3) 0.0030(18) 0.019(2) -0.0098(17) B20 0.052(2) 0.0377(19) 0.060(3) 0.0064(16) 0.011(2) -0.0034(16) B1 0.041(2) 0.0350(18) 0.057(2) -0.0027(15) 0.0106(18) -0.0014(14) B2 0.040(2) 0.0367(19) 0.051(2) 0.0008(15) 0.0106(18) 0.0031(15) B3 0.050(2) 0.041(2) 0.060(3) -0.0042(16) 0.011(2) 0.0044(16) N3 0.0385(15) 0.0395(14) 0.0543(18) -0.0013(11) 0.0109(13) 0.0050(11) B4 0.052(3) 0.045(2) 0.067(3) -0.0030(19) 0.019(2) 0.0091(17) N4 0.0452(16) 0.0412(15) 0.0525(19) -0.0035(12) 0.0105(14) -0.0005(12) B5 0.048(2) 0.039(2) 0.084(3) -0.0008(19) 0.017(2) 0.0095(17) B6 0.050(2) 0.0375(19) 0.062(3) 0.0024(16) 0.008(2) 0.0061(16) B7 0.040(2) 0.0355(19) 0.062(3) 0.0006(15) 0.0130(18) -0.0009(15) B8 0.045(2) 0.042(2) 0.077(3) -0.0054(18) 0.011(2) 0.0049(16) B9 0.043(2) 0.0370(19) 0.067(3) 0.0002(16) 0.0181(19) 0.0009(15) B10 0.051(2) 0.041(2) 0.061(3) 0.0033(16) 0.020(2) 0.0069(16) C19 0.0431(19) 0.0370(17) 0.069(3) -0.0016(14) 0.0173(18) 0.0004(14) C20 0.0407(18) 0.0336(17) 0.067(3) 0.0064(15) 0.0138(17) 0.0023(14) C21 0.047(2) 0.045(2) 0.083(3) 0.0121(18) 0.008(2) 0.0024(15) C22 0.056(2) 0.054(2) 0.077(3) 0.0159(19) -0.002(2) 0.0017(18) C23 0.069(3) 0.059(2) 0.058(2) 0.0052(17) 0.001(2) 0.000(2) C24 0.054(2) 0.049(2) 0.060(2) -0.0011(16) 0.0107(18) 0.0064(16) C25 0.0411(18) 0.0367(17) 0.056(2) 0.0037(14) 0.0096(16) 0.0008(14) C26 0.0403(19) 0.0319(16) 0.059(2) -0.0012(13) 0.0141(17) -0.0005(13) C27 0.0403(18) 0.0370(17) 0.057(2) -0.0043(13) 0.0125(16) -0.0005(13) C28 0.053(2) 0.052(2) 0.067(3) -0.0120(17) 0.015(2) 0.0089(17) C29 0.056(2) 0.049(2) 0.060(2) -0.0125(16) 0.0112(19) -0.0047(16) C30 0.050(2) 0.0394(18) 0.053(2) -0.0087(14) 0.0085(17) -0.0057(15) C31 0.059(2) 0.050(2) 0.062(2) -0.0056(16) 0.000(2) -0.0016(17) C32 0.079(3) 0.056(2) 0.059(3) -0.0052(18) -0.003(2) -0.012(2) C33 0.084(3) 0.069(3) 0.059(3) -0.017(2) 0.007(2) -0.015(2) C34 0.073(3) 0.060(2) 0.067(3) -0.0201(19) 0.016(2) -0.002(2) C35 0.049(2) 0.0322(17) 0.072(2) -0.0025(15) 0.0163(18) 0.0031(14) C36 0.046(2) 0.0417(19) 0.081(3) -0.0002(16) 0.0260(19) 0.0045(14) 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' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u 1 0 0 28.9 1.5 -1 0 0 31.3 1.5 -1 0 0 33.8 4.4 -2 0 0 107.79 5.1 2 0 0 99.89 5.1 -2 0 0 99.69 10.3 3 0 0 5.6 0.7 -3 0 0 9.9 8.1 -3 0 0 7.4 0.7 3 0 0 7.3 1.7 3 0 0 6.6 1 4 0 0 3.1 1 -4 0 0 -6.7 11.3 4 0 0 -4.1 2.7 4 0 0 0.9 0.6 -5 0 0 67.19 3.6 -5 0 0 48.2 16.9 5 0 0 64.49 3.8 -5 0 0 64.59 3.8 -6 0 0 68.89 22.3 6 0 0 54.59 3.5 -6 0 0 58.49 3.3 6 0 0 58.79 3.6 -7 0 0 18.7 24.8 7 0 0 32.6 2.5 8 0 0 26.3 1.9 0 -1 0 0.3 0.1 -1 -1 0 1977.2 97.29 -1 1 0 2024.2 97.89 -2 -1 0 10.8 0.7 -2 -1 0 18.2 6.2 2 -1 0 10.6 1 2 -1 0 12 0.8 2 -1 0 8.2 1.3 -2 1 0 9.3 0.7 -2 1 0 9.8 5.9 2 1 0 10.5 0.8 2 1 0 9.3 1.4 -3 -1 0 4.3 0.4 -3 -1 0 -3.3 6.3 3 -1 0 3.4 1.5 3 -1 0 5.3 0.9 3 -1 0 3.5 0.6 -3 1 0 7.2 7.8 -3 1 0 4.2 0.5 3 1 0 3 0.6 4 -1 0 28 3.7 4 -1 0 28.4 1.9 -4 -1 0 26.3 9.8 -4 -1 0 31.6 1.7 -4 1 0 28.5 13.3 4 1 0 29.4 1.9 4 1 0 31.6 4.3 -4 1 0 33.1 1.8 -5 -1 0 175.48 8.8 -5 -1 0 174.78 8.8 5 -1 0 167.78 8.9 -5 -1 0 165.58 22.5 5 -1 0 176.28 9 -5 1 0 151.78 24 5 1 0 173.28 9 -5 1 0 176.28 8.7 -5 1 0 184.48 9 5 1 0 178.48 8.9 6 -1 0 19.2 1.8 -6 -1 0 20.2 1.5 6 -1 0 17.2 1.8 -6 -1 0 -3.3 16.4 -6 -1 0 20.3 1.5 -6 1 0 29.2 22.7 6 1 0 17.6 1.7 6 1 0 18.4 1.9 -6 1 0 19.6 1.5 -6 1 0 19.9 1.7 7 -1 0 14.8 2.4 7 -1 0 20.8 2.4 -7 -1 0 -16.5 21.7 -7 -1 0 17.2 2.1 -7 1 0 -4.7 27.2 -7 1 0 22.4 1.5 7 1 0 18.1 1.8 8 -1 0 15.6 1.4 8 1 0 12 1.2 0 -2 0 108.19 5.5 0 -2 0 120.99 6.2 1 -2 0 118.19 6.1 1 -2 0 119.39 6 -1 -2 0 138.69 8.3 1 -2 0 120.29 6.2 -1 2 0 119.79 6 -1 2 0 122.89 10.3 1 2 0 131.59 5.9 2 -2 0 108.89 5.8 2 -2 0 111.09 6 -2 -2 0 123.99 10.7 2 -2 0 109.59 5.6 -2 2 0 117.49 5.5 -2 2 0 108.49 12.3 2 2 0 114.39 5.5 3 -2 0 16.6 1.2 3 -2 0 16.7 1.5 3 -2 0 19 2.3 -3 -2 0 14.3 0.9 -3 -2 0 6 6.1 -3 2 0 0.7 8.6 3 2 0 15.6 1.1 -3 2 0 16.7 1.1 3 2 0 15 4.2 4 -2 0 4.4 1 4 -2 0 4.3 0.7 4 -2 0 7.1 2.3 -4 -2 0 6.7 9.4 4 2 0 5.2 0.7 -4 2 0 5.2 0.6 -4 2 0 1.6 12.9 5 -2 0 68.59 4.1 -5 -2 0 55.89 15.2 5 -2 0 71.79 7 -5 -2 0 72.29 4 5 -2 0 69.39 4 5 2 0 71.69 4.1 -5 2 0 51.39 18 -5 2 0 73.29 4.1 5 2 0 77.49 4.1 -5 2 0 73.49 3.8 -6 -2 0 21.9 1.7 6 -2 0 21.3 1.9 -6 -2 0 33.4 17.5 6 -2 0 22.5 2.1 -6 2 0 36.2 24.2 6 2 0 20.5 1.9 -6 2 0 26.3 1.9 6 2 0 23.5 2.1 -6 2 0 23.1 1.7 -7 -2 0 22.8 2.2 -7 -2 0 33 22.1 7 2 0 24.8 2.1 -7 2 0 9.7 32.2 -7 2 0 29.1 1.8 8 -2 0 2.1 0.7 8 2 0 2.1 0.7 0 -3 0 1.6 1.7 -1 -3 0 486.75 25 -1 -3 0 503.35 24.4 1 -3 0 459.95 22.8 1 -3 0 452.65 22.7 2 -3 0 2.2 0.4 -2 -3 0 2.3 4.1 2 -3 0 2.7 0.6 -2 -3 0 3.6 1.2 2 -3 0 3.6 1 -2 3 0 0.5 8.2 2 3 0 2.5 0.4 -2 3 0 2.5 0.4 3 -3 0 155.28 7.6 3 -3 0 150.98 8.3 -3 -3 0 164.68 14.6 3 -3 0 150.88 7.9 3 3 0 151.58 7.5 -3 3 0 149.69 7.5 -3 3 0 156.98 18.2 4 -3 0 5.4 1 -4 -3 0 -4.7 8.3 4 -3 0 5.9 2.4 4 -3 0 4 0.7 -4 3 0 9.9 14.2 4 3 0 4.7 0.7 5 -3 0 -0.1 0.7 5 -3 0 0.4 3.5 -5 -3 0 1.2 0.8 5 -3 0 0.5 0.9 -5 -3 0 -6.6 10.6 5 -3 0 0.2 0.6 -5 3 0 0.1 0.4 -5 3 0 12.3 17.4 5 3 0 0 0.6 5 3 0 0.9 0.7 -5 3 0 -0.6 0.7 -5 3 0 0.7 0.5 6 -3 0 81.89 4.7 -6 -3 0 88.29 4.6 -6 -3 0 45.2 17.2 6 -3 0 85.59 4.8 -6 3 0 92.99 29.2 6 3 0 85.59 4.8 -6 3 0 83.49 4.7 6 3 0 82.79 4.7 7 -3 0 44.9 3.3 -7 -3 0 23.2 19.9 -7 -3 0 45.5 2.8 -7 3 0 28.7 36.6 7 3 0 47.1 3 -7 3 0 45.8 2.8 7 3 0 44.8 3 8 -3 0 8 1 8 3 0 6.3 0.9 0 -4 0 2264.87 108.79 -1 -4 0 4800.42 226.48 -1 -4 0 4666.93 226.08 -2 -4 0 345.37 20.8 -2 -4 0 341.57 20.2 2 -4 0 341.57 16.7 2 -4 0 332.57 16.5 -2 4 0 336.77 23.9 3 -4 0 85.79 5.4 3 -4 0 90.19 5 -3 -4 0 98.89 11.3 3 -4 0 90.79 4.6 -3 -4 0 61.59 15.9 3 4 0 94.29 4.6 -3 4 0 86.99 23.5 -3 4 0 93.99 4.6 -4 -4 0 20 8.7 4 -4 0 28.3 3.5 4 -4 0 30.5 2.4 4 -4 0 32.5 2 4 4 0 33.1 2 -4 4 0 32.3 1.9 -4 4 0 25.1 15.6 -5 -4 0 26.3 12.6 5 -4 0 44.9 2.9 5 -4 0 48.6 5.8 5 -4 0 44.8 3.4 5 -4 0 47 2.8 -5 -4 0 48.8 2.8 -5 4 0 45 2.9 5 4 0 44.9 2.9 -5 4 0 37.6 20.7 5 4 0 46.9 2.8 -5 4 0 47.2 2.7 6 -4 0 26.3 2.2 -6 -4 0 28.5 2.1 -6 -4 0 16.9 14.8 6 -4 0 27.6 2.2 6 4 0 26.2 2.3 6 4 0 28.4 2.8 -6 4 0 30.3 2.2 -6 4 0 20.3 30.4 -7 -4 0 -9.1 18 -7 4 0 69.69 43 8 -4 0 9.2 1.1 8 4 0 12.1 1.3 0 -5 0 -2 2.4 0 -5 0 0.1 0.3 0 -5 0 -0.1 0.2 -1 -5 0 198.08 11 -1 -5 0 211.28 10.7 1 -5 0 196.38 9.8 -2 -5 0 79.79 8.6 2 -5 0 72.09 4.3 2 -5 0 67.39 4.5 2 -5 0 78.29 3.8 -2 -5 0 78.09 7.8 -2 5 0 46.9 16.9 2 5 0 72.49 3.7 -2 5 0 80.09 3.8 2 5 0 81.09 3.8 -3 -5 0 5.5 5.7 3 -5 0 4.2 1.4 3 -5 0 5.4 0.7 -3 -5 0 5.9 10.7 3 -5 0 4.6 0.9 -3 5 0 -5.7 13.2 3 5 0 6.1 0.7 -3 5 0 6.4 0.7 4 -5 0 20.4 3.2 -4 -5 0 12.2 8.3 4 -5 0 24.1 1.7 4 -5 0 20.6 2 -4 5 0 48 20.3 -4 5 0 22.2 1.5 4 5 0 22.7 1.6 5 -5 0 22.6 4.3 5 -5 0 29.6 2 -5 -5 0 31 2.1 5 -5 0 28.6 2.1 5 -5 0 27.5 2.7 -5 -5 0 18 12.2 -5 5 0 26.2 24.2 5 5 0 30.4 2.1 -5 5 0 28.6 2.1 5 5 0 30 2.2 -5 5 0 27.2 1.9 -6 -5 0 0.9 0.9 6 -5 0 -3.8 5.4 -6 -5 0 -4.5 13.1 6 -5 0 2 0.9 6 5 0 0.9 0.7 6 5 0 1.1 0.9 -6 5 0 -24.4 34.4 -6 5 0 1.2 0.7 -7 -5 0 32 2.1 7 -5 0 29.3 2.2 -7 -5 0 19.8 17 -7 5 0 29.9 2.1 -7 5 0 -56.39 86.39 7 5 0 28.8 2.3 8 -5 0 3.8 0.8 8 5 0 1.6 0.7 0 -6 0 4365.96 208.98 1 -6 0 433.16 21.8 1 -6 0 483.45 27.2 2 -6 0 61.09 3.3 -2 -6 0 57.39 6.8 2 -6 0 60.19 3 -2 -6 0 67.19 6.9 2 -6 0 59.29 3.6 -2 6 0 58.59 3.1 2 6 0 57.89 3 2 6 0 60.49 3 -2 6 0 62.29 15.7 -3 -6 0 66.59 11 -3 -6 0 67.89 9.1 3 -6 0 73.39 3.8 3 -6 0 78.09 4.7 3 -6 0 69.59 4.2 -3 6 0 73.99 3.8 3 6 0 73.89 3.8 -3 6 0 48.3 17.6 4 -6 0 5.4 2.1 -4 -6 0 23.5 22.5 4 -6 0 4 0.7 -4 -6 0 2.2 7.5 4 -6 0 3.4 1 -4 6 0 -4.6 20.5 -4 6 0 3.2 1.2 -4 6 0 3.7 0.7 4 6 0 3.8 0.7 -5 -6 0 4.9 0.9 5 -6 0 5 1.4 -5 -6 0 1.7 9.8 5 -6 0 -1.6 3 5 -6 0 4 0.9 5 -6 0 4.4 0.8 5 6 0 5.5 1 -5 6 0 4.8 1 5 6 0 2.4 0.7 -5 6 0 4.4 0.8 -5 6 0 -1 30.6 6 -6 0 14.9 6 -6 -6 0 17.7 1.8 -6 -6 0 1.3 12.4 6 -6 0 17.9 1.7 6 6 0 15 1.6 -6 6 0 -24.1 43.6 6 6 0 16.2 1.8 -6 6 0 17.4 1.7 7 -6 0 6.4 1 -7 -6 0 8 1.1 -7 -6 0 -5.2 15.6 -7 6 0 7.5 1 7 6 0 4.7 1 -8 -6 0 0.7 0.5 8 -6 0 0.5 0.5 8 6 0 0.8 0.6 0 -7 0 -0.1 0.2 0 -7 0 -0.7 2.8 0 -7 0 0 0.1 0 7 0 -0.2 0.1 0 7 0 -0.1 0.1 1 -7 0 1727.63 86.59 1 -7 0 1914.01 91.29 -2 -7 0 227.18 13.8 2 -7 0 226.38 11.4 -2 -7 0 262.57 13.7 2 -7 0 229.48 11.6 -2 7 0 217.78 11.1 2 7 0 218.88 11 2 7 0 238.78 11.6 3 -7 0 10.4 1.3 -3 -7 0 2.8 5 -3 -7 0 1.2 7.4 3 -7 0 10.3 1.8 3 -7 0 8.4 0.8 3 7 0 8.2 0.8 -3 7 0 10.1 0.9 -3 7 0 14.2 20 4 -7 0 58.29 3.4 4 -7 0 49.2 3.5 4 -7 0 52.29 4.4 -4 -7 0 34.1 15.8 4 -7 0 50.79 3 -4 -7 0 49.3 9.8 -4 -7 0 53.69 3 -4 7 0 79.09 29.8 4 7 0 54.49 3 -4 7 0 51.59 3 -4 7 0 54.49 3.2 5 -7 0 35.6 4.5 5 -7 0 38.9 2.4 -5 -7 0 35.6 2.3 5 -7 0 35.9 3 -5 -7 0 25.8 11 5 7 0 34.7 2.3 5 7 0 32.9 2.4 -5 7 0 33.8 2.5 -5 7 0 -17.2 37.3 -5 7 0 33.8 2.2 -6 -7 0 3.5 12.1 6 -7 0 13.6 2.6 6 -7 0 15.4 1.6 -6 -7 0 15.7 1.8 6 -7 0 17.1 5.2 6 7 0 16.4 1.6 6 7 0 14.2 1.6 -6 7 0 15.6 1.7 -7 -7 0 33.6 23.9 -7 -7 0 25 2 7 -7 0 22.6 1.8 -7 7 0 24.5 1.9 7 7 0 23.2 2 8 -7 0 4.9 0.6 -8 -7 0 4 0.6 -8 7 0 5.3 0.6 8 7 0 4.1 0.7 0 -8 0 118.39 5.9 0 -8 0 125.39 5.8 1 -8 0 471.65 27.6 1 -8 0 422.86 21.2 -2 -8 0 300.57 15.6 2 -8 0 278.07 14.4 -2 -8 0 310.87 15.7 2 -8 0 284.47 14.6 -2 8 0 289.57 14.2 2 8 0 304.97 14.1 -3 -8 0 27.3 5.8 3 -8 0 27.6 2.7 3 -8 0 27.9 1.6 3 -8 0 28.3 2.1 -3 -8 0 29.8 7 -3 8 0 1.5 25.8 3 8 0 25.6 1.6 -3 8 0 28.5 1.7 4 -8 0 134.69 7 4 -8 0 127.59 8.1 -4 -8 0 136.49 14.7 4 -8 0 144.29 7.6 -4 8 0 144.19 7 -4 8 0 121.89 7.5 4 8 0 148.09 7.2 5 -8 0 46.8 2.8 -5 -8 0 28.6 10.3 -5 -8 0 44.7 2.7 5 -8 0 41.9 3.3 -5 8 0 43.8 2.7 -5 8 0 43.1 2.9 5 8 0 42.6 2.8 5 8 0 43.7 2.7 6 -8 0 8.4 1.7 6 -8 0 8.9 4.9 -6 -8 0 12.1 1.6 6 -8 0 13.6 1.4 -6 -8 0 11.6 15.5 -6 8 0 9.3 1.3 6 8 0 14.2 1.5 6 8 0 12.2 1.4 -7 -8 0 22.6 2 7 -8 0 25.6 1.8 -7 8 0 24.5 1.9 7 8 0 24 1.9 -8 -8 0 0.4 0.4 8 -8 0 1.3 0.5 8 8 0 0.6 0.5 -8 8 0 0.6 0.4 0 -9 0 0 0.2 0 9 0 0.1 0.1 0 9 0 0 0.2 1 -9 0 35.6 9.1 -1 9 0 34.2 1.8 2 -9 0 19.6 21.2 2 -9 0 9 1 -2 9 0 9.2 0.9 2 9 0 10.6 0.6 2 9 0 8.4 0.7 -3 -9 0 22.4 4.8 3 -9 0 23.6 1.9 3 -9 0 28.1 2.6 -3 9 0 27.9 1.7 3 9 0 25 1.5 -4 -9 0 17.1 10.3 4 -9 0 22.3 1.6 4 -9 0 21.3 2 4 -9 0 17 2.6 -4 -9 0 21.2 1.6 -4 -9 0 17.3 6.8 4 9 0 21.3 1.5 -4 9 0 21.1 1.8 5 -9 0 23.4 2.4 -5 -9 0 -15.2 16.7 -5 -9 0 17.9 8.5 5 -9 0 19.3 3.5 -5 -9 0 23.3 1.9 5 -9 0 22.9 1.8 -5 9 0 12.1 2.2 5 9 0 20.6 1.8 5 9 0 21.1 1.7 -5 9 0 19.9 1.7 -6 -9 0 30.4 10.6 -6 -9 0 47.7 3.2 6 -9 0 48 2.9 6 -9 0 39.6 6.2 -6 -9 0 21.3 23.8 6 -9 0 40.6 3.6 -6 9 0 53.99 3.1 6 9 0 43.8 3 6 9 0 49.3 3 7 -9 0 3.8 0.7 -7 -9 0 2.8 1 -7 9 0 4.9 0.9 7 9 0 2.5 0.8 -8 -9 0 -0.2 0.4 -8 9 0 0.8 0.4 8 9 0 0 0.4 1 -10 0 38.7 2.3 1 -10 0 38.5 2.1 1 -10 0 39.5 13.1 -1 10 0 39 2.1 2 -10 0 21 21 2 -10 0 22 2 2 -10 0 22.3 1.6 -2 10 0 23.4 1.5 2 10 0 23.2 1.2 2 10 0 20.9 1.2 3 -10 0 22.2 2.4 3 -10 0 23.5 1.8 3 10 0 22.1 1.4 -3 10 0 22.1 1.6 4 -10 0 12.3 1.3 4 -10 0 11.1 1.6 -4 -10 0 10.1 1.1 4 -10 0 9.2 2.1 -4 -10 0 8.2 5 -4 -10 0 14.8 6.3 4 10 0 9.4 1 -4 10 0 9.2 1.2 -4 10 0 11.8 1.2 5 -10 0 49.1 3.8 -5 -10 0 45.9 8 -5 -10 0 59.89 3.3 5 -10 0 52.49 5.4 -5 -10 0 43.8 9.9 -5 10 0 52.49 3.2 5 10 0 56.59 3.2 5 10 0 50.79 3.3 -5 10 0 55.49 3.4 6 -10 0 1.3 4 6 -10 0 5.6 1.4 -6 -10 0 8.7 1.4 6 -10 0 7.6 1 -6 10 0 10.4 1.3 6 10 0 9.3 1.2 6 10 0 7.5 1.1 7 -10 0 10.1 1.3 -7 -10 0 9 1.4 -7 10 0 7.3 1 7 10 0 8.1 1.1 -8 -10 0 0.3 0.4 -8 10 0 1 0.5 8 10 0 0.3 0.4 0 11 0 0 0.3 0 11 0 0.1 0.2 1 -11 0 8.3 0.9 1 -11 0 6.2 0.9 -1 11 0 6.2 0.6 2 -11 0 86.99 4.7 2 -11 0 59.69 22.5 2 -11 0 86.79 4.9 2 11 0 83.89 4.3 2 11 0 95.79 4.3 -2 11 0 87.69 4.5 -3 -11 0 17.5 1.4 3 -11 0 13.5 2 3 -11 0 14.9 1.5 3 11 0 15.2 1.1 -3 11 0 16.9 1.3 -4 -11 0 31.6 2.1 4 -11 0 28.9 2.4 4 11 0 29.5 1.8 -4 11 0 25.9 2 -4 11 0 29.8 2.2 -5 -11 0 5.3 1 5 -11 0 5.5 0.9 5 -11 0 2.7 2.7 5 -11 0 7.8 1.5 -5 11 0 7.9 1.3 -5 11 0 5 0.9 6 -11 0 -0.2 3.8 6 -11 0 2.4 1.4 6 -11 0 4 0.7 -6 -11 0 3.2 1.4 6 11 0 3.9 0.9 -6 11 0 2.3 1 -7 -11 0 3.3 1.2 -7 11 0 3.9 0.8 7 11 0 4.5 0.8 -8 -11 0 0.6 0.4 0 12 0 5.9 0.6 0 12 0 6.7 0.5 1 -12 0 20.1 1.1 1 -12 0 14.9 1.6 1 -12 0 20.4 1.4 1 -12 0 16.9 1.1 -1 12 0 19.1 1.2 1 12 0 19.6 0.9 1 12 0 17.5 1 2 -12 0 27.4 1.8 2 -12 0 27.5 2.2 -2 12 0 29.1 1.8 2 12 0 30.4 1.5 2 12 0 29.1 1.5 3 -12 0 86.19 5.2 3 -12 0 84.29 4.7 -3 -12 0 87.29 4.6 -3 12 0 79.89 4.6 -3 12 0 86.79 4.5 4 -12 0 71.39 4.5 4 -12 0 82.69 5.4 -4 -12 0 75.59 4.2 -4 12 0 70.09 4.2 -4 12 0 74.29 4.1 4 12 0 69.89 3.9 5 -12 0 11.5 2.8 -5 -12 0 7.1 1 5 -12 0 10.7 1.6 5 12 0 11.1 1.1 -5 12 0 8 1.1 -5 12 0 11.4 1.4 6 -12 0 5.5 1.4 -6 -12 0 5.9 1.1 6 -12 0 9.7 3.7 -6 12 0 9.1 1.2 6 12 0 8.1 1 6 12 0 7.4 0.9 -7 -12 0 2.5 1.2 -7 12 0 0.2 0.5 7 12 0 0.1 0.5 0 13 0 0.3 0.3 1 -13 0 42.7 2.3 1 13 0 44.8 2.1 -1 13 0 39 2.3 1 13 0 41.4 2.1 -2 -13 0 32.7 2.1 2 -13 0 31.5 1.9 2 -13 0 24.9 2.8 2 -13 0 27.1 1.9 2 -13 0 33.2 2.3 -2 13 0 29.9 2.4 2 13 0 32.9 1.6 2 13 0 32.2 1.6 3 -13 0 10.5 1.2 -3 -13 0 10 1.1 3 -13 0 11.5 1.8 -3 13 0 11 1.1 3 13 0 9.7 0.8 -3 13 0 10.2 1.3 -4 -13 0 11.3 1.3 4 -13 0 12.7 1.6 4 -13 0 12.8 2.4 -4 13 0 15.4 2.1 -4 13 0 12.1 1.3 4 13 0 13.3 1.1 5 -13 0 2.4 1 -5 -13 0 2.2 0.7 5 -13 0 5.8 3.2 -5 13 0 3 0.8 -5 13 0 3 0.9 5 13 0 2.5 0.6 -6 -13 0 1 0.9 -6 13 0 -0.4 0.6 -7 -13 0 0.1 1.4 -7 13 0 0.8 0.7 0 14 0 227.48 11 -1 -14 0 39.1 2.4 1 14 0 37.5 2 1 14 0 40 1.9 -1 14 0 36.1 2.2 2 -14 0 28.3 1.7 -2 -14 0 31 1.9 2 -14 0 21.2 1.9 2 -14 0 28 2.1 -2 14 0 23.9 1.7 -3 -14 0 69.39 3.8 3 -14 0 64.19 4.3 3 -14 0 65.39 3.8 3 14 0 67.69 3.4 -3 14 0 68.29 3.7 -3 14 0 60.69 3.8 4 -14 0 18.6 2.6 -4 -14 0 17.6 1.6 4 -14 0 17.3 1.8 -4 14 0 18.4 1.7 -4 14 0 17 1.7 4 14 0 17.2 1.2 5 -14 0 -0.2 0.6 -5 -14 0 0.5 0.5 5 -14 0 -1 2.3 -5 14 0 0.3 0.7 -5 14 0 -0.1 0.6 5 14 0 -0.2 0.4 -6 -14 0 6.2 1.1 -6 14 0 9.8 1.2 -7 -14 0 0.7 1 -7 14 0 2.2 0.6 0 -15 0 -0.1 0.6 0 15 0 -0.6 0.3 -1 -15 0 102.69 5.4 1 15 0 101.49 4.9 -1 15 0 96.19 5.1 2 -15 0 0.1 0.3 2 -15 0 0.3 0.3 -2 -15 0 -0.2 0.5 2 -15 0 1.2 1.4 2 15 0 0.3 0.1 -2 15 0 0.2 0.5 3 -15 0 5.6 1.5 3 -15 0 6.4 0.9 -3 -15 0 6.3 1.1 -3 15 0 5.9 1 -3 15 0 5.6 0.9 -4 -15 0 11.4 1.3 4 -15 0 11.1 1.4 4 -15 0 8.5 2.1 -4 15 0 10.1 1.2 4 15 0 10.4 0.9 -4 15 0 10.4 1.3 5 -15 0 11.4 1.8 -5 -15 0 9 1.2 5 -15 0 11.8 2.6 5 15 0 11.3 1 -5 15 0 8.3 1.2 -6 -15 0 8.2 1.2 -6 15 0 7.3 1 -7 -15 0 6.8 1.1 -7 15 0 8.6 0.9 0 -16 0 20.3 1.6 0 16 0 17.5 1.2 1 -16 0 0 0.5 -1 -16 0 0.4 0.6 1 16 0 0.6 0.3 -1 16 0 0.2 0.4 2 -16 0 44 2.4 2 -16 0 37.5 2.1 -2 -16 0 39.3 2.6 2 -16 0 39.3 2.7 2 -16 0 40 2 -2 16 0 37.2 2.4 3 -16 0 0 0.4 -3 -16 0 0.3 0.7 3 -16 0 0.6 1.1 3 16 0 0.3 0.2 -3 16 0 0.4 0.6 4 -16 0 6.8 1 -4 -16 0 6.4 1 -4 16 0 7.7 1.2 -4 16 0 6.6 1 5 -16 0 7.9 1.1 5 -16 0 9.8 2.5 -5 -16 0 8 1 -5 16 0 8 1.2 -6 -16 0 10.7 1.3 -6 16 0 13.2 1.2 -7 -16 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0.8 7 2 3 0.7 0.9 -7 2 -3 -9.4 57.49 -7 2 -3 0.8 0.6 8 -2 3 0.7 0.6 8 2 3 0.5 0.6 8 -3 -3 1.5 0.6 8 3 -3 1.1 0.8 -7 -3 3 0.3 0.5 7 -3 -3 0.7 0.7 -7 -3 3 -15.2 16.5 7 3 -3 0.5 0.8 -7 3 3 13.3 31 7 3 -3 -0.8 0.6 -6 -3 3 35.9 2.2 -6 -3 3 0.6 12.9 6 -3 -3 32.8 2.5 6 -3 -3 35.4 2.5 6 3 -3 38.1 2.9 -6 3 3 16.9 20.3 6 3 -3 33.3 2.5 -6 3 3 35.7 2.3 5 -3 -3 210.08 9.8 -5 -3 3 163.78 20.2 -5 -3 3 197.18 9.7 5 -3 -3 186.68 12 5 3 -3 192.18 9.8 -5 3 3 200.48 9.7 5 3 -3 183.08 9.8 -5 3 3 169.88 23.4 4 -3 -3 7.7 1 4 -3 -3 8.5 1.3 -4 -3 3 20.4 7.5 4 -3 -3 6.4 2.4 -4 3 3 6.9 0.8 -4 3 3 11 11.3 4 3 -3 8.9 1 3 -3 -3 56.19 3.9 3 -3 -3 57.79 3.4 -3 -3 3 51.89 5 3 -3 -3 62.79 3.4 -3 -3 3 51.99 8.1 -3 3 3 63.09 3.2 -3 3 3 43.2 10.7 3 3 -3 60.69 3.2 2 -3 -3 123.79 6.3 -2 -3 3 145.79 10.7 2 -3 -3 122.69 6.7 -2 -3 3 116.99 6.9 2 -3 -3 127.29 6.5 -2 3 3 135.09 13.3 2 3 -3 133.89 6.3 -2 3 3 130.49 6.3 1 -3 -3 9.5 0.8 1 -3 -3 9.5 1 -1 -3 3 0.9 3.2 -1 -3 3 7.3 1.1 1 -3 -3 9.5 0.8 1 3 -3 9.7 0.6 -1 3 3 9.3 0.7 -1 3 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1.2 7 3 3 8.8 1.3 -7 3 -3 10.7 1.2 8 -3 3 2.5 0.6 8 3 3 2.8 0.7 8 -4 -3 0.5 0.6 8 4 -3 0.8 0.6 -7 -4 3 17.9 1.4 7 -4 -3 16.1 1.5 -7 -4 3 8.4 16.1 -7 4 3 35.5 49.7 7 4 -3 17.8 1.6 6 -4 -3 53.89 3.2 6 -4 -3 48.7 3.3 -6 -4 3 53.39 3 -6 -4 3 19.6 13.1 6 4 -3 49.99 3.2 -6 4 3 51.09 3 -6 4 3 -3.5 26.2 6 4 -3 48.6 3.3 -5 -4 3 29.7 2.2 5 -4 -3 35.3 2.2 5 -4 -3 34.1 2.4 5 -4 -3 33.1 4.5 -5 -4 3 13.7 14 -5 4 3 32 2.1 -5 4 3 28.6 2.5 5 4 -3 28.2 2.2 5 4 -3 31.7 2.2 -5 4 3 19.4 18.3 -4 -4 3 0.9 6.5 4 -4 -3 4.5 0.8 4 -4 -3 3.8 2.2 4 -4 -3 3.7 0.9 -4 4 3 15.9 19.4 -4 4 3 3.8 0.7 4 4 -3 2.3 0.6 3 -4 -3 119.29 6.2 3 -4 -3 125.79 6.4 3 -4 -3 128.39 6.9 -3 -4 3 114.69 7.1 -3 -4 3 117.39 11.8 -3 4 3 120.09 6.2 -3 4 3 108.69 16 3 4 -3 123.79 6.1 2 -4 -3 260.07 12.4 -2 -4 3 275.47 16.5 2 -4 -3 257.57 12.7 -2 -4 3 231.38 12.5 2 -4 -3 250.67 12.3 -2 -4 3 232.08 12.6 -2 4 3 265.57 21.1 -2 4 3 266.47 12.3 -1 -4 3 6.1 0.9 1 -4 -3 4.6 0.5 1 -4 -3 4.7 0.6 -1 -4 3 4.3 3.2 1 -4 -3 4.9 0.8 -1 4 3 4.5 0.5 1 4 -3 4.7 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2.9 6 -4 -4 46.9 3.3 -6 -4 4 20.4 13.6 6 4 -4 48.6 3.3 6 4 -4 50.19 3.1 -6 4 4 4.7 25.3 -6 4 4 50.69 2.9 -5 -4 4 3.4 0.8 -5 -4 4 10.4 9.1 5 -4 -4 3.2 0.8 5 -4 -4 4.9 4.2 5 -4 -4 4.8 1 -5 4 4 17.9 19.1 5 4 -4 2.3 0.8 5 4 -4 2.5 0.8 -5 4 4 3.9 0.8 -4 -4 4 220.18 11.1 -4 -4 4 201.28 18.7 4 -4 -4 226.48 11.2 4 -4 -4 219.78 11.2 4 -4 -4 222.98 12.2 4 -4 -4 225.68 11.6 -4 4 4 229.38 11.2 4 4 -4 231.48 11.3 -4 4 4 210.28 24.2 -4 4 4 231.68 11.1 -3 -4 4 44.4 7.7 3 -4 -4 53.49 3.1 -3 -4 4 49.8 4.9 3 -4 -4 58.89 3.8 3 -4 -4 55.99 3.3 3 4 -4 55.19 3 -3 4 4 51.29 3.2 -3 4 4 31.1 11.5 2 -4 -4 86.09 4.8 -2 -4 4 79.19 5.2 2 -4 -4 82.79 4.5 -2 -4 4 89.89 9.8 2 -4 -4 86.29 4.5 -2 4 4 74.99 12.1 2 4 -4 90.99 4.3 -2 4 4 88.19 4.4 -1 -4 4 108.09 6.6 1 -4 -4 120.39 6.1 1 -4 -4 128.49 6.2 -1 -4 4 124.29 10 1 -4 -4 128.89 6.4 -1 4 4 124.69 6.1 1 4 -4 128.49 6.1 -1 4 4 130.59 16.3 0 -4 -4 32.3 1.9 0 -4 4 26.2 5.4 0 -4 -4 35.8 2.1 0 4 4 33.6 1.8 0 4 -4 35.2 1.8 0 4 4 38.4 10.6 -1 -4 -4 168.88 8.1 -1 -4 -4 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2.5 0.7 3 2 -12 2.5 0.7 2 -2 -12 0.6 0.6 -2 -2 12 -2.2 21 2 2 -12 0.3 0.6 -2 2 12 0.3 0.6 1 -2 -12 3.1 0.9 -1 -2 12 8.2 23.5 -1 2 12 4.2 0.8 -1 2 12 -4.8 36.8 1 2 -12 1.9 0.8 0 -2 12 1.9 0.7 0 -2 -12 0.3 0.8 0 2 12 0 0.7 0 2 -12 0.1 0.8 0 2 12 -31.5 46.7 -1 -2 -12 1.2 0.8 1 -2 12 0.5 0.7 1 2 12 0.1 0.7 -1 2 -12 1.4 0.8 2 -2 12 0.7 0.7 -2 -2 -12 0.7 0.7 -2 2 -12 0.5 0.7 2 2 12 0.3 0.8 3 -2 12 0.1 0.6 -3 2 -12 0.3 0.7 3 2 12 0.5 0.7 -4 2 -12 0.5 0.6 4 2 12 -0.2 0.6 5 -3 -12 1 0.6 5 3 -12 1.6 0.6 4 -3 -12 14.3 1.2 4 3 -12 10.3 1.1 -3 -3 12 -2.9 21.1 3 -3 -12 0 0.5 -3 3 12 -0.3 0.5 3 3 -12 1.9 0.8 -2 -3 12 -7 20.4 2 -3 -12 -0.2 0.6 -2 3 12 -50.19 38.7 2 3 -12 -0.7 0.6 -2 3 12 0.4 0.6 -1 -3 12 -10.5 22 1 -3 -12 2.3 0.8 1 3 -12 2.4 0.9 -1 3 12 3.4 0.8 -1 3 12 -55.89 48.7 0 -3 -12 6 1 0 3 -12 5.8 1.2 0 3 12 5 0.9 1 -3 12 -1.6 7.3 -1 -3 -12 5.9 1 -1 3 -12 9.8 1.3 1 3 12 5.4 1 2 -3 12 0.3 0.7 -2 -3 -12 0.6 0.7 2 3 12 0.4 0.7 -2 3 -12 0.4 0.7 3 -3 12 -0.1 0.5 -3 -3 -12 0.4 0.6 -3 3 -12 -0.3 0.6 3 3 12 0.2 0.7 -4 3 -12 1 0.6 4 3 12 1 0.6 5 -4 -12 7.3 0.8 5 4 -12 6.8 0.8 4 -4 -12 10.2 1.1 4 4 -12 8.6 1 3 -4 -12 4.8 0.9 3 4 -12 3.8 0.9 -3 4 12 4.1 0.7 -2 -4 12 17 23.1 1 -4 -12 9.9 1.2 -1 -4 12 21.7 21.6 -1 4 12 13.8 1.3 1 4 -12 16.7 1.6 0 -4 12 10 1.8 0 -4 -12 9.1 1.2 0 -4 12 3.6 4.2 0 4 12 8.7 1.2 0 4 -12 10.8 1.4 -1 -4 -12 0.9 0.7 -1 4 -12 2 0.9 1 4 12 1.2 0.8 -2 -4 -12 1 0.7 -2 4 -12 0.8 0.8 2 4 12 2.2 0.8 -3 -4 -12 0.7 0.5 3 4 12 0.4 0.7 -3 4 -12 0.8 0.7 4 4 12 -0.1 0.6 -4 4 -12 0.7 0.6 5 -5 -12 6.1 0.7 5 5 -12 8.5 0.9 4 -5 -12 23.7 1.7 4 5 -12 26 1.8 3 -5 -12 16.2 1.4 -3 5 12 13.3 1.2 -2 -5 12 8.3 22 1 -5 -12 1.8 0.8 -1 5 12 2.6 0.8 1 5 -12 1.9 0.8 0 -5 -12 12.8 1.4 0 -5 12 18.9 4.5 0 -5 12 18.6 3.2 0 5 -12 15.8 1.7 0 5 12 12.4 1.3 1 -5 12 2.6 5 -1 -5 -12 1.3 0.7 1 5 12 3 0.9 -1 5 -12 0.4 0.8 -2 -5 -12 1.6 0.7 -2 5 -12 3.4 0.9 2 5 12 3.5 0.9 3 5 12 -0.1 0.7 -3 5 -12 0.9 0.7 -4 5 -12 1.5 0.6 4 5 12 2.2 0.7 4 -6 -12 4.7 1.1 4 6 -12 2.5 1.1 3 -6 -12 0.7 0.6 3 6 -12 3 0.8 -3 6 12 2.6 0.6 2 -6 -12 0.9 0.6 -2 6 12 2 0.7 2 6 -12 2.1 0.8 -1 -6 12 1.2 4.5 1 -6 -12 1.5 0.7 1 6 -12 4 1 -1 6 12 2.2 0.7 0 -6 -12 21.7 1.8 0 6 12 22.5 1.8 0 6 -12 24.4 2.1 -1 -6 -12 1.5 0.7 1 -6 12 3.6 4.4 -1 6 -12 2.1 0.9 1 6 12 1.7 0.8 -2 -6 -12 1.7 0.6 2 6 12 2 0.8 -2 6 -12 2.5 0.9 -3 6 -12 -0.3 0.6 3 6 12 0.3 0.7 -4 6 -12 0.3 0.5 4 6 12 0.3 0.6 4 -7 -12 0.1 0.5 4 7 -12 0 0.5 -4 7 12 1 0.5 3 -7 -12 2.7 0.7 -3 7 12 4.4 0.7 3 7 -12 2.6 0.7 -2 -7 12 13.1 4.2 2 -7 -12 6.2 0.9 2 7 -12 9.4 1.2 -2 7 12 8 1 1 -7 -12 2.5 0.7 -1 7 12 4.3 0.8 1 7 -12 4.2 0.9 0 -7 -12 1.2 0.7 0 -7 12 7.3 5.3 0 7 -12 0.2 0.8 0 7 12 0.5 0.7 -1 -7 -12 0.5 0.5 -1 7 -12 1.7 0.9 1 7 12 0.3 0.7 -2 7 -12 0.8 0.7 2 7 12 2.4 0.8 3 7 12 0.5 0.8 -4 7 -12 -0.3 0.5 4 7 12 0 0.5 5 8 -12 -0.5 0.4 -4 8 12 7.5 0.8 3 8 -12 1.3 0.7 -3 8 12 3.5 0.6 2 -8 -12 0.1 0.6 -2 8 12 0 0.5 2 8 -12 0.4 0.7 1 -8 -12 17 1.5 -1 -8 12 16.9 4.3 1 8 -12 15.4 1.6 -1 8 12 18 1.5 0 -8 12 2 4.1 0 -8 -12 0.9 0.6 0 8 12 0.9 0.7 0 8 -12 0.7 0.8 -1 8 -12 3.6 0.9 1 8 12 4.4 0.9 2 8 12 2.2 0.8 -2 8 -12 1.5 0.8 -3 8 -12 -0.5 0.6 3 8 12 -0.4 0.6 4 9 -12 2.7 0.6 -4 9 12 5 0.6 3 -9 -12 1.3 0.5 -3 9 12 2.2 0.6 3 9 -12 2.5 0.6 2 9 -12 10.9 1.2 -2 9 12 13.2 1.2 1 9 -12 11.8 1.4 -1 9 12 11.9 1.2 0 9 12 -0.3 0.6 0 9 -12 0.3 0.8 1 9 12 -0.1 0.7 -1 9 -12 0.7 0.7 2 9 12 1.6 0.7 -2 9 -12 1.7 0.8 3 9 12 2.5 0.7 -3 9 -12 2.4 0.7 4 10 -12 0.1 0.5 -4 10 12 1.4 0.5 3 10 -12 0.1 0.5 2 10 -12 10.8 1.7 -2 10 12 8.1 1 1 10 -12 10.2 1.2 -1 10 12 11.9 1.1 0 10 12 0.7 0.7 0 10 -12 -0.8 0.7 -1 10 -12 0.1 0.7 1 10 12 -0.1 0.6 -2 10 -12 0.3 0.8 2 10 12 0.2 0.7 -3 10 -12 3.2 0.8 3 10 12 0.7 0.6 4 11 -12 2.6 0.5 -4 11 12 3.5 0.5 -3 11 12 8.6 0.8 3 11 -12 7.1 0.9 2 11 -12 1.4 0.6 -2 11 12 1.4 0.6 1 11 -12 1.6 0.9 -1 11 12 3.7 0.7 0 11 -12 2.3 0.8 0 11 12 2.4 0.7 1 11 12 1.9 0.7 2 11 12 0.9 0.6 -2 11 -12 -0.2 0.6 -3 11 -12 1.2 0.6 3 11 12 1.9 0.6 -3 12 12 1 0.5 3 12 -12 1.6 0.5 2 12 -12 7.9 0.9 -2 12 12 5.9 1.2 -1 12 12 2.1 0.6 1 12 -12 1.9 0.7 0 12 12 4.1 0.8 0 12 -12 6 0.9 -1 12 -12 0.6 0.7 1 12 12 0.3 0.8 2 12 12 0 0.6 -2 12 -12 0.1 0.6 -3 13 12 0.7 0.4 2 13 -12 5.1 0.8 -2 13 12 7.6 0.8 -1 13 12 7.6 1 1 13 -12 6 0.9 0 13 12 1.3 0.6 0 13 -12 0.9 0.6 1 13 12 0.8 0.6 -1 13 -12 2.9 0.7 -2 13 -12 0.7 0.6 2 13 12 -0.3 0.5 -3 14 12 4.3 0.6 -2 14 12 -0.1 0.4 1 14 -12 17.7 1.4 -1 14 12 14.9 1.3 0 14 -12 9.4 1.3 0 14 12 5.2 0.8 -1 14 -12 0.1 0.6 1 14 12 0.4 0.6 -2 15 12 15.8 1.2 -1 15 12 0.7 0.5 0 15 -12 1.2 0.5 0 15 12 0.7 0.5 1 15 12 0.3 0.5 -1 15 -12 1.5 0.5 4 0 -13 -0.4 0.5 3 0 -13 6.6 0.9 2 0 -13 0.3 0.6 1 0 -13 3.3 0.8 0 0 13 1.3 0.7 0 0 -13 1 0.7 -1 0 -13 3.7 0.8 1 0 13 1.9 1.2 -2 0 -13 -0.4 0.7 2 0 13 0.4 0.5 3 0 13 15.9 1.3 -3 0 -13 14.1 1.2 4 -1 -13 0.4 0.5 4 1 -13 -0.4 0.5 3 -1 -13 1 0.6 3 1 -13 0.4 0.6 2 -1 -13 4.5 0.9 2 1 -13 3.4 0.8 1 -1 -13 3.8 0.8 -1 1 13 2.7 0.8 1 1 -13 3.2 0.9 0 -1 -13 10.6 1.2 0 1 -13 9.6 1.2 0 1 13 9.4 1 1 -1 13 -0.1 0.6 -1 -1 -13 -0.4 0.6 -1 1 -13 -0.2 0.6 1 1 13 -1.1 0.6 2 -1 13 0.6 0.5 -2 -1 -13 0.1 1.1 2 1 13 -0.1 0.6 -2 1 -13 0.2 0.6 -3 -1 -13 0.6 0.5 -3 1 -13 0.2 0.5 3 1 13 0.6 0.5 4 -2 -13 0.7 0.5 4 2 -13 2.1 0.6 3 -2 -13 -0.4 0.5 3 2 -13 0.2 0.6 2 -2 -13 5.8 0.9 -2 2 13 8 0.8 2 2 -13 7.1 1 1 -2 -13 1 0.7 1 2 -13 1.4 0.7 -1 2 13 0.8 0.6 0 -2 -13 1.4 0.7 0 2 -13 2.7 0.8 0 2 13 1.3 0.7 -1 -2 -13 1.1 0.6 -1 2 -13 1 0.7 1 2 13 0.4 0.7 -2 -2 -13 0.1 0.6 2 2 13 0.6 0.6 -2 2 -13 0.1 0.6 -3 -2 -13 0.2 0.4 3 2 13 0.8 0.5 -3 2 -13 -0.4 0.5 3 -3 -13 1.1 0.6 3 3 -13 1.8 0.7 2 -3 -13 1.2 0.7 -2 3 13 1.2 0.7 2 3 -13 2.2 0.7 1 -3 -13 2.8 0.8 -1 3 13 3.6 0.7 1 3 -13 2.9 0.9 0 -3 -13 1.6 0.7 0 3 -13 2.3 0.8 0 3 13 1.5 0.7 -1 -3 -13 -0.2 0.5 1 3 13 0.5 0.7 -1 3 -13 0.9 0.7 -2 -3 -13 0.1 0.6 2 3 13 0.4 0.6 -2 3 -13 0.1 0.6 3 3 13 0.7 0.5 -3 3 -13 0.4 0.6 3 -4 -13 -0.6 1 3 4 -13 0.3 0.6 -3 4 13 -0.2 0.5 2 -4 -13 3 0.7 2 4 -13 2.9 0.8 1 -4 -13 -0.6 0.6 -1 4 13 1 0.6 1 4 -13 1.3 0.8 0 -4 -13 1 0.7 0 4 13 0.7 0.7 0 4 -13 1.7 0.8 -1 -4 -13 1.6 0.8 -1 4 -13 1.8 0.8 1 4 13 1 0.7 -2 -4 -13 -0.8 0.4 -2 4 -13 -0.8 0.9 2 4 13 0 0.7 3 4 13 -0.2 0.5 -3 4 -13 0.1 0.5 4 -5 -13 1.8 0.5 4 5 -13 1.3 0.5 3 -5 -13 2.3 0.6 -3 5 13 1.2 0.5 3 5 -13 1 0.6 2 -5 -13 -0.4 0.5 -2 5 13 0.1 0.7 2 5 -13 0.4 0.6 1 -5 -13 0.9 0.6 1 5 -13 0 0.7 -1 5 13 1.3 0.6 0 -5 -13 0.7 0.6 0 5 -13 0.2 0.7 0 5 13 1.4 0.7 -1 -5 -13 7.9 0.9 1 5 13 7.6 1 -1 5 -13 9.2 1.1 2 5 13 0 0.6 3 5 13 0.4 0.6 -3 5 -13 0.4 0.6 4 -6 -13 0 0.4 4 6 -13 0.4 0.5 3 -6 -13 1.1 0.5 -3 6 13 1.2 0.5 3 6 -13 0.1 0.5 2 -6 -13 0.3 0.9 -2 6 13 1.4 0.7 2 6 -13 0.7 0.6 1 -6 -13 4.6 0.8 -1 6 13 4.2 0.8 1 6 -13 4.2 0.9 0 -6 -13 1.2 0.7 0 6 13 0.1 0.6 0 6 -13 1 0.7 -1 -6 -13 5.4 0.7 1 6 13 6.2 0.9 -1 6 -13 6.1 1 2 6 13 0.6 0.6 -2 6 -13 0.8 0.7 3 6 13 1.3 0.6 -3 6 -13 2.4 0.7 4 -7 -13 0.3 0.3 4 7 -13 0.2 0.4 3 -7 -13 0.3 0.5 3 7 -13 0.3 0.5 -3 7 13 0.1 0.4 2 -7 -13 3.2 0.6 -2 7 13 8.4 1.2 1 -7 -13 0.1 0.5 -1 7 13 1.4 0.6 1 7 -13 1 0.7 0 -7 -13 -0.2 0.4 0 7 -13 0.8 0.7 0 7 13 1.4 0.7 -1 7 -13 5.6 1 1 7 13 5.8 0.9 2 7 13 0.7 0.6 -2 7 -13 0.3 0.6 -3 7 -13 0.3 0.5 3 7 13 0.3 0.5 3 -8 -13 0 0.4 -3 8 13 0.3 0.4 3 8 -13 0 0.5 2 -8 -13 0.3 0.4 2 8 -13 0.5 0.6 -2 8 13 0.6 0.5 1 -8 -13 1 0.6 -1 8 13 1 0.6 0 8 -13 6.2 1.1 0 8 13 7 0.9 1 8 13 5.6 1.1 -1 8 -13 5.7 0.9 -2 8 -13 3.4 0.8 2 8 13 1.9 0.7 3 9 -13 0 0.5 -3 9 13 0.3 0.4 2 9 -13 0.3 0.6 -2 9 13 1.3 0.5 -1 9 13 2.3 0.7 1 9 -13 0.4 0.6 0 9 13 1.1 1 0 9 -13 0 0.6 -1 9 -13 -0.7 0.6 1 9 13 0.6 0.6 2 9 13 0.5 0.6 -2 9 -13 0.1 0.6 -3 10 13 -0.1 0.4 3 10 -13 -0.1 0.4 -2 10 13 4.4 0.7 2 10 -13 5.3 0.8 -1 10 13 0.2 0.5 1 10 -13 0.8 0.6 0 10 13 5.8 0.8 0 10 -13 6.8 0.9 -1 10 -13 4.5 0.8 1 10 13 3.3 0.7 2 10 13 4 0.7 -2 10 -13 4.5 0.8 -1 11 13 -0.3 0.5 1 11 -13 -0.2 0.5 0 11 -13 2.1 0.7 0 11 13 2.5 0.6 1 11 13 0 0.5 -1 11 -13 -0.4 0.5 -2 12 13 -0.1 0.4 2 12 -13 0.1 0.4 -1 12 13 0.8 0.5 1 12 -13 1.2 0.6 0 12 13 1.1 0.6 0 12 -13 1.7 0.6 1 12 13 -0.1 0.5 -1 13 13 1.3 0.5 1 13 -13 2.1 0.6 0 13 13 0.1 0.5 0 13 -13 0.6 0.5 3 0 -14 0 0.5 2 0 -14 0.4 0.6 1 0 -14 2 0.8 0 0 -14 -0.2 0.6 -1 0 -14 -0.3 0.5 -2 0 -14 0 0.5 3 -1 -14 0.3 0.5 3 1 -14 0.8 0.5 2 -1 -14 1.6 0.6 2 1 -14 1.1 0.6 1 -1 -14 1.7 0.6 1 1 -14 0.3 0.6 0 -1 -14 1.6 0.7 0 1 -14 0.6 0.6 -1 -1 -14 2 0.6 -1 1 -14 2.9 0.7 -2 -1 -14 0.7 0.5 -2 1 -14 0.6 0.5 3 -2 -14 -0.1 0.4 3 2 -14 0.6 0.5 2 -2 -14 2.7 0.6 2 2 -14 2.7 0.7 1 -2 -14 -0.1 0.5 1 2 -14 -0.1 0.6 0 -2 -14 0.1 0.5 0 2 -14 0.6 0.6 0 2 14 -0.1 0.7 -1 -2 -14 0 0.5 -1 2 -14 1 0.6 1 2 14 0.2 0.5 -2 -2 -14 -0.3 0.5 -2 2 -14 0.2 0.5 3 -3 -14 1.5 0.5 3 3 -14 1.7 0.6 2 -3 -14 -0.2 0.5 2 3 -14 0.9 0.6 1 -3 -14 0.4 0.5 1 3 -14 0.4 0.6 -1 3 14 0.6 0.5 0 -3 -14 14 1.3 0 3 -14 14.4 1.4 -1 -3 -14 1 0.5 1 3 14 0.6 0.6 -1 3 -14 1.2 0.6 2 3 14 0.1 0.4 -2 3 -14 0.8 0.5 3 -4 -14 1.2 0.5 3 4 -14 1 0.5 2 -4 -14 0.5 0.5 2 4 -14 0 0.5 1 -4 -14 0.2 0.5 1 4 -14 0.6 0.6 -1 4 14 -0.1 0.5 0 -4 -14 15.2 1.2 0 4 -14 12.2 1.3 -1 -4 -14 4.6 0.6 -1 4 -14 3.9 0.8 2 4 14 1.1 0.5 -2 4 -14 1.3 0.6 3 -5 -14 0.2 0.4 3 5 -14 1 0.5 2 -5 -14 0.5 0.4 2 5 -14 0.3 0.5 -2 5 14 0.8 0.7 1 -5 -14 0.2 0.5 1 5 -14 0.5 0.6 -1 5 14 0.3 0.5 0 -5 -14 4.9 0.8 0 5 14 5.6 0.7 0 5 -14 8.2 1 -1 5 -14 7.5 0.9 2 -6 -14 1 0.4 2 6 -14 0.3 0.5 -2 6 14 -0.2 0.4 1 -6 -14 0.5 0.4 1 6 -14 1.1 0.6 -1 6 14 0.2 0.4 0 6 14 0.6 0.5 0 6 -14 0.1 0.6 1 6 14 -0.4 0.4 -1 6 -14 -0.1 0.5 2 7 -14 0.8 0.5 -2 7 14 -0.2 0.4 -1 7 14 0.4 0.5 1 7 -14 0 0.6 0 7 -14 0.3 0.6 0 7 14 0.4 0.5 -1 7 -14 2.7 0.7 1 7 14 2.6 0.6 2 8 -14 -0.2 0.5 -2 8 14 0.2 0.4 -1 8 14 0.9 0.4 1 8 -14 0.3 0.5 0 8 14 0.6 0.5 0 8 -14 -0.2 0.5 1 9 -14 7.2 1 0 9 -14 0.9 0.5 0 9 14 0.3 0.4 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 C1 N1 B16 123.0(3) . . ? C8 N1 C1 107.7(3) . . ? C8 N1 B16 129.2(3) . . ? N1 C1 C9 122.6(3) . . ? C2 C1 N1 109.0(3) . . ? C2 C1 C9 128.4(3) . . ? C9 N2 B11 123.0(3) . . ? C12 N2 C9 107.9(3) . . ? C12 N2 B11 129.0(3) . . ? C1 C2 H2 125.8 . . ? C1 C2 C3 108.5(3) . . ? C3 C2 H2 125.8 . . ? C4 C3 C2 134.5(4) . . ? C4 C3 C8 119.0(4) . . ? C8 C3 C2 106.5(3) . . ? C3 C4 H4 120.5 . . ? C5 C4 C3 119.1(4) . . ? C5 C4 H4 120.5 . . ? C4 C5 H5 119.5 . . ? C4 C5 C6 121.0(4) . . ? C6 C5 H5 119.5 . . ? C5 C6 H6 119.2 . . ? C7 C6 C5 121.6(4) . . ? C7 C6 H6 119.2 . . ? C6 C7 H7 121.0 . . ? C6 C7 C8 118.0(4) . . ? C8 C7 H7 121.0 . . ? N1 C8 C3 108.2(3) . . ? C7 C8 N1 130.4(3) . . ? C7 C8 C3 121.4(3) . . ? N2 C9 C1 123.1(3) . . ? C10 C9 C1 127.7(3) . . ? C10 C9 N2 109.2(3) . . ? C9 C10 H10 126.1 . . ? C9 C10 C11 107.7(4) . . ? C11 C10 H10 126.1 . . ? N2 B11 B12 127.0(3) . . ? N2 B11 B13 127.1(3) . . ? N2 B11 B15 119.7(3) . . ? N2 B11 B16 113.7(3) . . ? N2 B11 B17 119.6(3) . . ? B13 B11 B12 60.4(2) . . ? B13 B11 B15 59.8(2) . . ? B13 B11 B17 107.9(3) . . ? B15 B11 B12 108.0(3) . . ? B16 B11 B12 108.9(3) . . ? B16 B11 B13 108.9(3) . . ? B16 B11 B15 60.2(2) . . ? B16 B11 B17 60.5(2) . . ? B17 B11 B12 59.7(2) . . ? B17 B11 B15 107.6(3) . . ? C12 C11 C10 107.2(3) . . ? C16 C11 C10 134.3(4) . . ? C16 C11 C12 118.4(4) . . ? N2 C12 C11 108.0(3) . . ? C13 C12 N2 130.3(4) . . ? C13 C12 C11 121.8(4) . . ? B11 B12 H12 123.3 . . ? B11 B12 B13 59.5(2) . . ? B13 B12 H12 122.8 . . ? B14 B12 B11 106.3(3) . . ? B14 B12 H12 122.5 . . ? B14 B12 B13 59.4(2) . . ? B14 B12 B17 106.5(3) . . ? C17 B12 B11 103.0(3) . . ? C17 B12 H12 125.7 . . ? C17 B12 B13 103.6(3) . . ? C17 B12 B14 58.2(2) . . ? C17 B12 B17 57.6(2) . . ? B17 B12 B11 59.9(2) . . ? B17 B12 H12 122.1 . . ? B17 B12 B13 107.3(3) . . ? C12 C13 H13 120.4 . . ? C12 C13 C14 119.2(4) . . ? C14 C13 H13 120.4 . . ? B11 B13 B12 60.1(2) . . ? B11 B13 H13A 122.6 . . ? B12 B13 H13A 122.4 . . ? B14 B13 B11 106.8(3) . . ? B14 B13 B12 59.5(2) . . ? B14 B13 H13A 122.6 . . ? B14 B13 B15 106.5(3) . . ? B15 B13 B11 60.3(2) . . ? B15 B13 B12 108.1(3) . . ? B15 B13 H13A 121.7 . . ? C18 B13 B11 103.5(3) . . ? C18 B13 B12 103.6(3) . . ? C18 B13 H13A 125.9 . . ? C18 B13 B14 57.7(2) . . ? C18 B13 B15 57.8(2) . . ? C13 C14 H14 120.2 . . ? C13 C14 C15 119.6(5) . . ? C15 C14 H14 120.2 . . ? B12 B14 H14A 120.9 . . ? B12 B14 B19 108.4(3) . . ? B13 B14 B12 61.2(2) . . ? B13 B14 H14A 120.9 . . ? B13 B14 B19 108.7(3) . . ? C17 B14 B12 59.3(2) . . ? C17 B14 B13 105.8(3) . . ? C17 B14 H14A 125.7 . . ? C17 B14 B19 57.8(2) . . ? C18 B14 B12 106.5(3) . . ? C18 B14 B13 59.7(2) . . ? C18 B14 H14A 125.0 . . ? C18 B14 C17 101.0(3) . . ? C18 B14 B19 58.3(2) . . ? B19 B14 H14A 121.6 . . ? B11 B15 H15 123.0 . . ? B13 B15 B11 59.9(2) . . ? B13 B15 H15 120.8 . . ? B16 B15 B11 59.1(2) . . ? B16 B15 B13 108.0(3) . . ? B16 B15 H15 122.5 . . ? C18 B15 B11 104.3(3) . . ? C18 B15 B13 59.2(2) . . ? C18 B15 H15 124.6 . . ? C18 B15 B16 105.0(3) . . ? C18 B15 B20 59.4(2) . . ? B20 B15 B11 108.4(3) . . ? B20 B15 B13 109.8(3) . . ? B20 B15 H15 120.3 . . ? B20 B15 B16 60.9(2) . . ? C14 C15 H15A 119.1 . . ? C16 C15 C14 121.9(4) . . ? C16 C15 H15A 119.1 . . ? N1 B16 B11 114.5(3) . . ? N1 B16 B15 119.4(3) . . ? N1 B16 B17 120.2(3) . . ? N1 B16 B18 127.5(3) . . ? N1 B16 B20 126.8(3) . . ? B11 B16 B15 60.8(2) . . ? B11 B16 B17 60.4(2) . . ? B11 B16 B18 108.2(3) . . ? B11 B16 B20 108.5(3) . . ? B15 B16 B17 108.0(3) . . ? B15 B16 B18 107.3(3) . . ? B15 B16 B20 59.3(2) . . ? B17 B16 B18 59.3(2) . . ? B17 B16 B20 107.4(3) . . ? B18 B16 B20 60.0(2) . . ? C11 C16 H16 120.5 . . ? C15 C16 C11 119.1(5) . . ? C15 C16 H16 120.5 . . ? B12 C17 H17 116.9 . . ? B14 C17 B12 62.5(2) . . ? B14 C17 H17 117.4 . . ? B14 C17 B18 115.4(3) . . ? B17 C17 B12 63.1(2) . . ? B17 C17 B14 114.5(3) . . ? B17 C17 H17 118.0 . . ? B17 C17 B18 62.8(2) . . ? B17 C17 B19 114.6(3) . . ? B18 C17 B12 115.8(3) . . ? B18 C17 H17 117.4 . . ? B19 C17 B12 116.2(3) . . ? B19 C17 B14 64.1(3) . . ? B19 C17 H17 117.0 . . ? B19 C17 B18 62.3(2) . . ? B11 B17 B16 59.1(2) . . ? B11 B17 H17A 122.8 . . ? B12 B17 B11 60.5(2) . . ? B12 B17 B16 108.5(3) . . ? B12 B17 H17A 120.5 . . ? B16 B17 H17A 122.5 . . ? C17 B17 B11 104.8(3) . . ? C17 B17 B12 59.3(2) . . ? C17 B17 B16 105.1(3) . . ? C17 B17 H17A 124.5 . . ? C17 B17 B18 59.3(2) . . ? B18 B17 B11 108.2(3) . . ? B18 B17 B12 109.7(3) . . ? B18 B17 B16 60.6(2) . . ? B18 B17 H17A 120.5 . . ? B16 B18 H18 122.6 . . ? B16 B18 B20 60.2(2) . . ? C17 B18 B16 103.7(3) . . ? C17 B18 B17 57.9(2) . . ? C17 B18 H18 125.6 . . ? C17 B18 B19 58.3(2) . . ? C17 B18 B20 104.1(3) . . ? B17 B18 B16 60.1(2) . . ? B17 B18 H18 121.6 . . ? B17 B18 B20 108.2(3) . . ? B19 B18 B16 107.4(3) . . ? B19 B18 B17 107.3(3) . . ? B19 B18 H18 121.9 . . ? B19 B18 B20 59.7(2) . . ? B20 B18 H18 122.3 . . ? B13 C18 H18A 117.2 . . ? B14 C18 B13 62.6(2) . . ? B14 C18 B15 114.7(3) . . ? B14 C18 H18A 116.9 . . ? B14 C18 B19 64.2(3) . . ? B14 C18 B20 115.9(3) . . ? B15 C18 B13 62.9(2) . . ? B15 C18 H18A 118.2 . . ? B15 C18 B19 114.3(3) . . ? B15 C18 B20 62.5(2) . . ? B19 C18 B13 115.9(3) . . ? B19 C18 H18A 117.2 . . ? B19 C18 B20 62.4(2) . . ? B20 C18 B13 115.5(3) . . ? B20 C18 H18A 117.4 . . ? B14 B19 H19 122.0 . . ? C17 B19 B14 58.1(2) . . ? C17 B19 B18 59.3(2) . . ? C17 B19 C18 100.6(3) . . ? C17 B19 H19 125.4 . . ? C17 B19 B20 105.9(3) . . ? B18 B19 B14 108.1(3) . . ? B18 B19 H19 121.2 . . ? B18 B19 B20 61.1(2) . . ? C18 B19 B14 57.5(2) . . ? C18 B19 B18 105.6(3) . . ? C18 B19 H19 125.7 . . ? C18 B19 B20 59.3(2) . . ? B20 B19 B14 107.9(3) . . ? B20 B19 H19 121.2 . . ? B15 B20 B16 59.8(2) . . ? B15 B20 B18 107.6(3) . . ? B15 B20 H20 121.7 . . ? B16 B20 H20 123.0 . . ? B18 B20 B16 59.9(2) . . ? B18 B20 H20 122.9 . . ? C18 B20 B15 58.1(2) . . ? C18 B20 B16 103.3(3) . . ? C18 B20 B18 103.4(3) . . ? C18 B20 B19 58.3(2) . . ? C18 B20 H20 125.7 . . ? B19 B20 B15 107.2(3) . . ? B19 B20 B16 106.7(3) . . ? B19 B20 B18 59.2(2) . . ? B19 B20 H20 122.2 . . ? B2 B1 B6 107.7(3) . . ? B2 B1 B7 59.8(2) . . ? B2 B1 B8 108.0(3) . . ? B2 B1 B9 60.0(2) . . ? N4 B1 B2 114.0(3) . . ? N4 B1 B6 128.1(3) . . ? N4 B1 B7 119.8(3) . . ? N4 B1 B8 127.9(3) . . ? N4 B1 B9 119.8(3) . . ? B6 B1 B7 59.5(2) . . ? B6 B1 B8 59.8(2) . . ? B8 B1 B7 107.2(3) . . ? B9 B1 B6 107.0(3) . . ? B9 B1 B7 106.8(3) . . ? B9 B1 B8 59.5(2) . . ? B1 B2 B3 108.8(3) . . ? B1 B2 B7 60.6(2) . . ? B1 B2 B9 60.2(2) . . ? B1 B2 B10 108.6(3) . . ? B3 B2 B10 60.3(2) . . ? N3 B2 B1 113.8(3) . . ? N3 B2 B3 127.1(3) . . ? N3 B2 B7 119.4(3) . . ? N3 B2 B9 119.9(3) . . ? N3 B2 B10 127.5(3) . . ? B7 B2 B3 59.6(2) . . ? B7 B2 B9 107.6(3) . . ? B7 B2 B10 107.7(3) . . ? B9 B2 B3 107.7(3) . . ? B9 B2 B10 59.6(2) . . ? B2 B3 H3 122.9 . . ? B2 B3 B10 59.9(2) . . ? B4 B3 B2 106.6(3) . . ? B4 B3 H3 122.5 . . ? B4 B3 B10 59.2(2) . . ? B7 B3 B2 60.1(2) . . ? B7 B3 H3 121.8 . . ? B7 B3 B4 106.8(3) . . ? B7 B3 B10 107.9(3) . . ? B10 B3 H3 122.6 . . ? C35 B3 B2 103.5(3) . . ? C35 B3 H3 125.6 . . ? C35 B3 B4 58.2(2) . . ? C35 B3 B7 57.8(2) . . ? C35 B3 B10 103.7(3) . . ? C25 N3 B2 129.7(3) . . ? C25 N3 C26 107.0(3) . . ? C26 N3 B2 123.2(3) . . ? B3 B4 H4A 121.3 . . ? B3 B4 B5 108.2(3) . . ? B5 B4 H4A 121.6 . . ? B10 B4 B3 60.9(2) . . ? B10 B4 H4A 121.0 . . ? B10 B4 B5 108.7(3) . . ? C35 B4 B3 58.9(2) . . ? C35 B4 H4A 125.7 . . ? C35 B4 B5 58.1(2) . . ? C35 B4 B10 105.6(3) . . ? C36 B4 B3 106.2(3) . . ? C36 B4 H4A 125.0 . . ? C36 B4 B5 58.2(2) . . ? C36 B4 B10 59.9(2) . . ? C36 B4 C35 101.1(3) . . ? C27 N4 B1 123.3(3) . . ? C30 N4 B1 129.0(3) . . ? C30 N4 C27 107.6(3) . . ? B4 B5 H5A 121.5 . . ? B6 B5 B4 108.8(3) . . ? B6 B5 H5A 121.0 . . ? B6 B5 B8 60.8(2) . . ? B8 B5 B4 108.3(3) . . ? B8 B5 H5A 121.3 . . ? C35 B5 B4 58.4(2) . . ? C35 B5 H5A 125.2 . . ? C35 B5 B6 59.6(2) . . ? C35 B5 B8 105.9(3) . . ? C36 B5 B4 58.0(2) . . ? C36 B5 H5A 125.4 . . ? C36 B5 B6 105.9(3) . . ? C36 B5 B8 59.4(2) . . ? C36 B5 C35 101.2(3) . . ? B1 B6 H6A 122.4 . . ? B5 B6 B1 107.5(3) . . ? B5 B6 H6A 122.1 . . ? B5 B6 B7 106.8(3) . . ? B5 B6 B8 59.8(2) . . ? B7 B6 B1 60.5(2) . . ? B7 B6 H6A 121.8 . . ? B7 B6 B8 108.2(3) . . ? B8 B6 B1 60.1(2) . . ? B8 B6 H6A 122.3 . . ? C35 B6 B1 103.9(3) . . ? C35 B6 B5 58.2(2) . . ? C35 B6 H6A 125.6 . . ? C35 B6 B7 57.6(2) . . ? C35 B6 B8 104.1(3) . . ? B1 B7 H7A 122.5 . . ? B2 B7 B1 59.7(2) . . ? B2 B7 H7A 122.7 . . ? B3 B7 B1 108.6(3) . . ? B3 B7 B2 60.3(2) . . ? B3 B7 B6 109.4(3) . . ? B3 B7 H7A 120.6 . . ? B6 B7 B1 60.0(2) . . ? B6 B7 B2 108.0(3) . . ? B6 B7 H7A 120.9 . . ? C35 B7 B1 104.8(3) . . ? C35 B7 B2 104.6(3) . . ? C35 B7 B3 59.2(2) . . ? C35 B7 B6 59.2(2) . . ? C35 B7 H7A 124.6 . . ? B1 B8 H8 122.4 . . ? B5 B8 B1 107.2(3) . . ? B5 B8 B6 59.4(2) . . ? B5 B8 H8 122.4 . . ? B5 B8 B9 106.6(3) . . ? B6 B8 B1 60.1(2) . . ? B6 B8 H8 122.6 . . ? B9 B8 B1 60.2(2) . . ? B9 B8 B6 107.7(3) . . ? B9 B8 H8 121.9 . . ? C36 B8 B1 104.2(3) . . ? C36 B8 B5 58.0(2) . . ? C36 B8 B6 103.8(3) . . ? C36 B8 H8 125.4 . . ? C36 B8 B9 58.0(2) . . ? B1 B9 H9 122.2 . . ? B2 B9 B1 59.9(2) . . ? B2 B9 H9 122.4 . . ? B8 B9 B1 60.3(2) . . ? B8 B9 B2 108.5(3) . . ? B8 B9 H9 120.7 . . ? B10 B9 B1 108.9(3) . . ? B10 B9 B2 60.3(2) . . ? B10 B9 B8 109.7(3) . . ? B10 B9 H9 120.4 . . ? C36 B9 B1 105.1(3) . . ? C36 B9 B2 105.1(3) . . ? C36 B9 B8 59.1(2) . . ? C36 B9 H9 124.4 . . ? C36 B9 B10 59.5(2) . . ? B2 B10 B3 59.8(2) . . ? B2 B10 H10A 122.7 . . ? B3 B10 H10A 122.4 . . ? B4 B10 B2 107.1(3) . . ? B4 B10 B3 59.9(2) . . ? B4 B10 B9 106.6(3) . . ? B4 B10 H10A 122.3 . . ? B9 B10 B2 60.1(2) . . ? B9 B10 B3 107.7(3) . . ? B9 B10 H10A 121.9 . . ? C36 B10 B2 103.6(3) . . ? C36 B10 B3 103.8(3) . . ? C36 B10 B4 57.8(2) . . ? C36 B10 B9 57.9(2) . . ? C36 B10 H10A 125.7 . . ? C20 C19 H19A 125.9 . . ? C26 C19 H19A 125.9 . . ? C26 C19 C20 108.2(3) . . ? C21 C20 C19 134.5(4) . . ? C21 C20 C25 118.7(4) . . ? C25 C20 C19 106.8(3) . . ? C20 C21 H21 120.3 . . ? C22 C21 C20 119.5(4) . . ? C22 C21 H21 120.3 . . ? C21 C22 H22 119.5 . . ? C21 C22 C23 121.0(4) . . ? C23 C22 H22 119.5 . . ? C22 C23 H23 119.4 . . ? C24 C23 C22 121.3(4) . . ? C24 C23 H23 119.4 . . ? C23 C24 H24 121.2 . . ? C23 C24 C25 117.6(4) . . ? C25 C24 H24 121.2 . . ? N3 C25 C20 108.3(3) . . ? N3 C25 C24 129.7(3) . . ? C24 C25 C20 122.0(3) . . ? N3 C26 C27 122.9(3) . . ? C19 C26 N3 109.6(3) . . ? C19 C26 C27 127.4(3) . . ? N4 C27 C26 122.6(3) . . ? C28 C27 N4 109.4(3) . . ? C28 C27 C26 128.0(3) . . ? C27 C28 H28 126.0 . . ? C27 C28 C29 108.1(3) . . ? C29 C28 H28 126.0 . . ? C30 C29 C28 107.1(3) . . ? C34 C29 C28 134.8(4) . . ? C34 C29 C30 118.1(4) . . ? N4 C30 C29 107.9(3) . . ? C31 C30 N4 129.4(3) . . ? C31 C30 C29 122.7(3) . . ? C30 C31 H31 121.5 . . ? C30 C31 C32 117.0(4) . . ? C32 C31 H31 121.5 . . ? C31 C32 H32 119.3 . . ? C31 C32 C33 121.4(4) . . ? C33 C32 H32 119.3 . . ? C32 C33 H33 119.6 . . ? C34 C33 C32 120.8(4) . . ? C34 C33 H33 119.6 . . ? C29 C34 H34 120.0 . . ? C33 C34 C29 120.0(4) . . ? C33 C34 H34 120.0 . . ? B3 C35 B6 115.8(3) . . ? B3 C35 H35 116.9 . . ? B4 C35 B3 62.8(2) . . ? B4 C35 B6 115.1(3) . . ? B4 C35 H35 117.5 . . ? B5 C35 B3 115.8(3) . . ? B5 C35 B4 63.5(3) . . ? B5 C35 B6 62.2(2) . . ? B5 C35 H35 117.4 . . ? B6 C35 H35 117.4 . . ? B7 C35 B3 63.0(2) . . ? B7 C35 B4 114.8(3) . . ? B7 C35 B5 114.7(3) . . ? B7 C35 B6 63.2(2) . . ? B7 C35 H35 117.7 . . ? B4 C36 B5 63.7(3) . . ? B4 C36 B8 115.7(3) . . ? B4 C36 B9 114.2(3) . . ? B4 C36 B10 62.3(2) . . ? B4 C36 H36 117.4 . . ? B5 C36 B8 62.6(2) . . ? B5 C36 B9 114.3(3) . . ? B5 C36 B10 115.2(3) . . ? B5 C36 H36 117.4 . . ? B8 C36 B10 115.4(3) . . ? B8 C36 H36 117.1 . . ? B9 C36 B8 62.9(2) . . ? B9 C36 B10 62.6(2) . . ? B9 C36 H36 118.2 . . ? B10 C36 H36 117.6 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag N1 C1 1.399(4) . ? N1 C8 1.386(5) . ? N1 B16 1.484(4) . ? C1 C2 1.364(5) . ? C1 C9 1.450(5) . ? N2 C9 1.398(5) . ? N2 B11 1.487(4) . ? N2 C12 1.395(5) . ? C2 H2 0.9300 . ? C2 C3 1.414(5) . ? C3 C4 1.407(5) . ? C3 C8 1.413(5) . ? C4 H4 0.9300 . ? C4 C5 1.367(6) . ? C5 H5 0.9300 . ? C5 C6 1.393(6) . ? C6 H6 0.9300 . ? C6 C7 1.374(6) . ? C7 H7 0.9300 . ? C7 C8 1.386(5) . ? C9 C10 1.379(5) . ? C10 H10 0.9300 . ? C10 C11 1.421(6) . ? B11 B12 1.789(6) . ? B11 B13 1.778(6) . ? B11 B15 1.785(5) . ? B11 B16 1.754(6) . ? B11 B17 1.779(6) . ? C11 C12 1.413(5) . ? C11 C16 1.408(6) . ? C12 C13 1.372(6) . ? B12 H12 1.1000 . ? B12 B13 1.796(6) . ? B12 B14 1.765(6) . ? B12 C17 1.711(6) . ? B12 B17 1.775(6) . ? C13 H13 0.9300 . ? C13 C14 1.382(6) . ? B13 H13A 1.1000 . ? B13 B14 1.763(6) . ? B13 B15 1.778(6) . ? B13 C18 1.715(6) . ? C14 H14 0.9300 . ? C14 C15 1.403(7) . ? B14 H14A 1.1000 . ? B14 C17 1.692(6) . ? B14 C18 1.679(6) . ? B14 B19 1.792(7) . ? B15 H15 1.1000 . ? B15 B16 1.774(5) . ? B15 C18 1.690(5) . ? B15 B20 1.766(6) . ? C15 H15A 0.9300 . ? C15 C16 1.364(7) . ? B16 B17 1.779(6) . ? B16 B18 1.787(5) . ? B16 B20 1.793(5) . ? C16 H16 0.9300 . ? C17 H17 1.1000 . ? C17 B17 1.680(5) . ? C17 B18 1.705(6) . ? C17 B19 1.686(6) . ? B17 H17A 1.1000 . ? B17 B18 1.764(6) . ? B18 H18 1.1000 . ? B18 B19 1.755(6) . ? B18 B20 1.790(6) . ? C18 H18A 1.1000 . ? C18 B19 1.694(5) . ? C18 B20 1.713(5) . ? B19 H19 1.1000 . ? B19 B20 1.765(6) . ? B20 H20 1.1000 . ? B1 B2 1.780(6) . ? B1 N4 1.477(4) . ? B1 B6 1.787(5) . ? B1 B7 1.796(5) . ? B1 B8 1.787(6) . ? B1 B9 1.785(5) . ? B2 B3 1.784(5) . ? B2 N3 1.476(4) . ? B2 B7 1.781(5) . ? B2 B9 1.782(6) . ? B2 B10 1.785(6) . ? B3 H3 1.1000 . ? B3 B4 1.774(6) . ? B3 B7 1.772(6) . ? B3 B10 1.791(6) . ? B3 C35 1.708(6) . ? N3 C25 1.394(4) . ? N3 C26 1.403(4) . ? B4 H4A 1.1000 . ? B4 B5 1.779(7) . ? B4 B10 1.761(5) . ? B4 C35 1.694(5) . ? B4 C36 1.683(6) . ? N4 C27 1.400(4) . ? N4 C30 1.395(4) . ? B5 H5A 1.1000 . ? B5 B6 1.757(6) . ? B5 B8 1.765(6) . ? B5 C35 1.689(6) . ? B5 C36 1.687(5) . ? B6 H6A 1.1000 . ? B6 B7 1.779(6) . ? B6 B8 1.782(6) . ? B6 C35 1.713(6) . ? B7 H7A 1.1000 . ? B7 C35 1.683(5) . ? B8 H8 1.1000 . ? B8 B9 1.774(6) . ? B8 C36 1.711(6) . ? B9 H9 1.1000 . ? B9 B10 1.773(6) . ? B9 C36 1.690(5) . ? B10 H10A 1.1000 . ? B10 C36 1.721(6) . ? C19 H19A 0.9300 . ? C19 C20 1.418(5) . ? C19 C26 1.357(5) . ? C20 C21 1.404(5) . ? C20 C25 1.408(5) . ? C21 H21 0.9300 . ? C21 C22 1.370(6) . ? C22 H22 0.9300 . ? C22 C23 1.399(6) . ? C23 H23 0.9300 . ? C23 C24 1.381(5) . ? C24 H24 0.9300 . ? C24 C25 1.396(5) . ? C26 C27 1.458(5) . ? C27 C28 1.356(5) . ? C28 H28 0.9300 . ? C28 C29 1.422(6) . ? C29 C30 1.402(5) . ? C29 C34 1.401(5) . ? C30 C31 1.388(5) . ? C31 H31 0.9300 . ? C31 C32 1.390(5) . ? C32 H32 0.9300 . ? C32 C33 1.390(6) . ? C33 H33 0.9300 . ? C33 C34 1.363(6) . ? C34 H34 0.9300 . ? C35 H35 1.1000 . ? C36 H36 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 N1 C1 C2 C3 -0.1(4) . . . . ? N1 C1 C9 N2 2.1(5) . . . . ? N1 C1 C9 C10 -177.9(4) . . . . ? N1 B16 B17 B11 102.7(3) . . . . ? N1 B16 B17 B12 139.0(3) . . . . ? N1 B16 B17 C17 -158.8(3) . . . . ? N1 B16 B17 B18 -118.2(4) . . . . ? N1 B16 B18 C17 146.0(3) . . . . ? N1 B16 B18 B17 106.4(4) . . . . ? N1 B16 B18 B19 -153.3(4) . . . . ? N1 B16 B18 B20 -115.4(4) . . . . ? N1 B16 B20 B15 -105.6(4) . . . . ? N1 B16 B20 B18 116.4(4) . . . . ? N1 B16 B20 C18 -145.6(3) . . . . ? N1 B16 B20 B19 153.9(3) . . . . ? C1 N1 C8 C3 -1.0(3) . . . . ? C1 N1 C8 C7 178.7(3) . . . . ? C1 N1 B16 B11 0.4(4) . . . . ? C1 N1 B16 B15 69.3(4) . . . . ? C1 N1 B16 B17 -68.4(4) . . . . ? C1 N1 B16 B18 -141.0(3) . . . . ? C1 N1 B16 B20 141.3(3) . . . . ? C1 C2 C3 C4 -179.7(4) . . . . ? C1 C2 C3 C8 -0.5(4) . . . . ? C1 C9 C10 C11 180.0(3) . . . . ? N2 C9 C10 C11 0.0(4) . . . . ? N2 B11 B12 B13 116.2(4) . . . . ? N2 B11 B12 B14 154.1(3) . . . . ? N2 B11 B12 C17 -145.6(3) . . . . ? N2 B11 B12 B17 -106.0(4) . . . . ? N2 B11 B13 B12 -116.0(4) . . . . ? N2 B11 B13 B14 -154.2(3) . . . . ? N2 B11 B13 B15 106.2(4) . . . . ? N2 B11 B13 C18 145.9(3) . . . . ? N2 B11 B15 B13 -118.2(4) . . . . ? N2 B11 B15 B16 102.0(4) . . . . ? N2 B11 B15 C18 -158.9(3) . . . . ? N2 B11 B15 B20 139.1(3) . . . . ? N2 B11 B16 N1 -0.5(4) . . . . ? N2 B11 B16 B15 -111.8(3) . . . . ? N2 B11 B16 B17 111.7(3) . . . . ? N2 B11 B16 B18 148.1(3) . . . . ? N2 B11 B16 B20 -148.3(3) . . . . ? N2 B11 B17 B12 118.0(4) . . . . ? N2 B11 B17 B16 -102.2(4) . . . . ? N2 B11 B17 C17 158.9(3) . . . . ? N2 B11 B17 B18 -139.1(3) . . . . ? N2 C12 C13 C14 -179.8(4) . . . . ? C2 C1 C9 N2 -177.9(3) . . . . ? C2 C1 C9 C10 2.1(6) . . . . ? C2 C3 C4 C5 178.7(4) . . . . ? C2 C3 C8 N1 0.9(3) . . . . ? C2 C3 C8 C7 -178.8(3) . . . . ? C3 C4 C5 C6 -0.3(6) . . . . ? C4 C3 C8 N1 -179.7(3) . . . . ? C4 C3 C8 C7 0.6(5) . . . . ? C4 C5 C6 C7 0.9(6) . . . . ? C5 C6 C7 C8 -0.7(6) . . . . ? C6 C7 C8 N1 -179.6(3) . . . . ? C6 C7 C8 C3 0.0(5) . . . . ? C8 N1 C1 C2 0.7(4) . . . . ? C8 N1 C1 C9 -179.3(3) . . . . ? C8 N1 B16 B11 178.1(3) . . . . ? C8 N1 B16 B15 -112.9(4) . . . . ? C8 N1 B16 B17 109.4(4) . . . . ? C8 N1 B16 B18 36.7(5) . . . . ? C8 N1 B16 B20 -40.9(5) . . . . ? C8 C3 C4 C5 -0.4(5) . . . . ? C9 C1 C2 C3 179.9(3) . . . . ? C9 N2 B11 B12 142.3(3) . . . . ? C9 N2 B11 B13 -139.5(4) . . . . ? C9 N2 B11 B15 -66.6(4) . . . . ? C9 N2 B11 B16 1.4(4) . . . . ? C9 N2 B11 B17 69.7(4) . . . . ? C9 N2 C12 C11 0.2(4) . . . . ? C9 N2 C12 C13 -179.0(4) . . . . ? C9 C10 C11 C12 0.2(4) . . . . ? C9 C10 C11 C16 179.9(5) . . . . ? C10 C11 C12 N2 -0.3(4) . . . . ? C10 C11 C12 C13 179.1(4) . . . . ? C10 C11 C16 C15 179.8(4) . . . . ? B11 N2 C9 C1 -2.3(5) . . . . ? B11 N2 C9 C10 177.8(3) . . . . ? B11 N2 C12 C11 -177.5(3) . . . . ? B11 N2 C12 C13 3.3(6) . . . . ? B11 B12 B13 B14 136.7(3) . . . . ? B11 B12 B13 B15 37.8(3) . . . . ? B11 B12 B13 C18 98.0(3) . . . . ? B11 B12 B14 B13 -38.0(3) . . . . ? B11 B12 B14 C17 95.5(3) . . . . ? B11 B12 B14 C18 2.3(4) . . . . ? B11 B12 B14 B19 63.7(4) . . . . ? B11 B12 C17 B14 -101.2(3) . . . . ? B11 B12 C17 B17 40.8(2) . . . . ? B11 B12 C17 B18 5.4(4) . . . . ? B11 B12 C17 B19 -65.0(4) . . . . ? B11 B12 B17 B16 -35.7(3) . . . . ? B11 B12 B17 C17 -132.6(3) . . . . ? B11 B12 B17 B18 -100.3(3) . . . . ? B11 B13 B14 B12 38.4(3) . . . . ? B11 B13 B14 C17 -2.0(4) . . . . ? B11 B13 B14 C18 -95.6(3) . . . . ? B11 B13 B14 B19 -62.8(4) . . . . ? B11 B13 B15 B16 35.6(3) . . . . ? B11 B13 B15 C18 132.7(3) . . . . ? B11 B13 B15 B20 100.3(3) . . . . ? B11 B13 C18 B14 101.5(3) . . . . ? B11 B13 C18 B15 -41.0(2) . . . . ? B11 B13 C18 B19 64.4(4) . . . . ? B11 B13 C18 B20 -5.8(4) . . . . ? B11 B15 B16 N1 -103.3(4) . . . . ? B11 B15 B16 B17 39.1(3) . . . . ? B11 B15 B16 B18 101.6(3) . . . . ? B11 B15 B16 B20 139.0(3) . . . . ? B11 B15 C18 B13 41.0(3) . . . . ? B11 B15 C18 B14 4.6(4) . . . . ? B11 B15 C18 B19 -66.8(4) . . . . ? B11 B15 C18 B20 -103.1(3) . . . . ? B11 B15 B20 B16 -36.4(3) . . . . ? B11 B15 B20 B18 1.1(4) . . . . ? B11 B15 B20 C18 96.1(3) . . . . ? B11 B15 B20 B19 63.4(3) . . . . ? B11 B16 B17 B12 36.3(3) . . . . ? B11 B16 B17 C17 98.4(3) . . . . ? B11 B16 B17 B18 139.0(3) . . . . ? B11 B16 B18 C17 2.7(3) . . . . ? B11 B16 B18 B17 -36.9(3) . . . . ? B11 B16 B18 B19 63.4(4) . . . . ? B11 B16 B18 B20 101.3(3) . . . . ? B11 B16 B20 B15 37.1(3) . . . . ? B11 B16 B20 B18 -100.8(3) . . . . ? B11 B16 B20 C18 -2.9(3) . . . . ? B11 B16 B20 B19 -63.3(3) . . . . ? B11 B17 B18 B16 36.3(3) . . . . ? B11 B17 B18 C17 -96.7(3) . . . . ? B11 B17 B18 B19 -64.3(4) . . . . ? B11 B17 B18 B20 -1.2(4) . . . . ? C11 C12 C13 C14 1.0(6) . . . . ? C12 N2 C9 C1 179.8(3) . . . . ? C12 N2 C9 C10 -0.1(4) . . . . ? C12 N2 B11 B12 -40.3(5) . . . . ? C12 N2 B11 B13 37.9(5) . . . . ? C12 N2 B11 B15 110.8(4) . . . . ? C12 N2 B11 B16 178.8(3) . . . . ? C12 N2 B11 B17 -112.9(4) . . . . ? C12 C11 C16 C15 -0.5(7) . . . . ? C12 C13 C14 C15 -0.2(6) . . . . ? B12 B11 B13 B14 -38.1(3) . . . . ? B12 B11 B13 B15 -137.8(3) . . . . ? B12 B11 B13 C18 -98.0(3) . . . . ? B12 B11 B15 B13 37.9(3) . . . . ? B12 B11 B15 B16 -102.0(3) . . . . ? B12 B11 B15 C18 -2.8(4) . . . . ? B12 B11 B15 B20 -64.8(4) . . . . ? B12 B11 B16 N1 -148.3(3) . . . . ? B12 B11 B16 B15 100.4(3) . . . . ? B12 B11 B16 B17 -36.1(2) . . . . ? B12 B11 B16 B18 0.3(3) . . . . ? B12 B11 B16 B20 63.9(3) . . . . ? B12 B11 B17 B16 139.8(3) . . . . ? B12 B11 B17 C17 40.9(3) . . . . ? B12 B11 B17 B18 102.9(3) . . . . ? B12 B13 B14 C17 -40.4(3) . . . . ? B12 B13 B14 C18 -134.1(3) . . . . ? B12 B13 B14 B19 -101.2(3) . . . . ? B12 B13 B15 B11 -37.8(3) . . . . ? B12 B13 B15 B16 -2.2(4) . . . . ? B12 B13 B15 C18 94.9(3) . . . . ? B12 B13 B15 B20 62.5(3) . . . . ? B12 B13 C18 B14 39.5(3) . . . . ? B12 B13 C18 B15 -103.0(3) . . . . ? B12 B13 C18 B19 2.4(4) . . . . ? B12 B13 C18 B20 -67.8(4) . . . . ? B12 B14 C17 B17 -37.1(3) . . . . ? B12 B14 C17 B18 -107.2(3) . . . . ? B12 B14 C17 B19 -143.8(3) . . . . ? B12 B14 C18 B13 -41.0(3) . . . . ? B12 B14 C18 B15 -4.5(4) . . . . ? B12 B14 C18 B19 101.8(3) . . . . ? B12 B14 C18 B20 65.6(4) . . . . ? B12 B14 B19 C17 32.4(3) . . . . ? B12 B14 B19 B18 -1.0(4) . . . . ? B12 B14 B19 C18 -98.4(3) . . . . ? B12 B14 B19 B20 -65.6(4) . . . . ? B12 C17 B17 B11 -41.4(3) . . . . ? B12 C17 B17 B16 -102.8(3) . . . . ? B12 C17 B17 B18 -144.1(3) . . . . ? B12 C17 B18 B16 -5.2(4) . . . . ? B12 C17 B18 B17 35.5(3) . . . . ? B12 C17 B18 B19 -107.4(3) . . . . ? B12 C17 B18 B20 -67.4(3) . . . . ? B12 C17 B19 B14 -35.7(3) . . . . ? B12 C17 B19 B18 106.9(3) . . . . ? B12 C17 B19 C18 4.9(4) . . . . ? B12 C17 B19 B20 65.7(4) . . . . ? B12 B17 B18 B16 100.6(3) . . . . ? B12 B17 B18 C17 -32.4(3) . . . . ? B12 B17 B18 B19 0.1(4) . . . . ? B12 B17 B18 B20 63.1(4) . . . . ? C13 C14 C15 C16 -1.0(7) . . . . ? B13 B11 B12 B14 38.0(3) . . . . ? B13 B11 B12 C17 98.3(3) . . . . ? B13 B11 B12 B17 137.9(3) . . . . ? B13 B11 B15 B16 -139.8(3) . . . . ? B13 B11 B15 C18 -40.7(3) . . . . ? B13 B11 B15 B20 -102.7(3) . . . . ? B13 B11 B16 N1 147.4(3) . . . . ? B13 B11 B16 B15 36.1(3) . . . . ? B13 B11 B16 B17 -100.4(3) . . . . ? B13 B11 B16 B18 -64.0(3) . . . . ? B13 B11 B16 B20 -0.4(4) . . . . ? B13 B11 B17 B12 -37.8(3) . . . . ? B13 B11 B17 B16 102.0(3) . . . . ? B13 B11 B17 C17 3.0(4) . . . . ? B13 B11 B17 B18 65.0(4) . . . . ? B13 B12 B14 C17 133.5(3) . . . . ? B13 B12 B14 C18 40.3(3) . . . . ? B13 B12 B14 B19 101.7(3) . . . . ? B13 B12 C17 B14 -40.0(3) . . . . ? B13 B12 C17 B17 102.1(3) . . . . ? B13 B12 C17 B18 66.7(3) . . . . ? B13 B12 C17 B19 -3.7(4) . . . . ? B13 B12 B17 B11 37.3(3) . . . . ? B13 B12 B17 B16 1.5(4) . . . . ? B13 B12 B17 C17 -95.4(3) . . . . ? B13 B12 B17 B18 -63.0(4) . . . . ? B13 B14 C17 B12 41.3(3) . . . . ? B13 B14 C17 B17 4.3(4) . . . . ? B13 B14 C17 B18 -65.9(4) . . . . ? B13 B14 C17 B19 -102.5(3) . . . . ? B13 B14 C18 B15 36.6(3) . . . . ? B13 B14 C18 B19 142.8(3) . . . . ? B13 B14 C18 B20 106.7(3) . . . . ? B13 B14 B19 C17 97.3(3) . . . . ? B13 B14 B19 B18 63.9(4) . . . . ? B13 B14 B19 C18 -33.4(3) . . . . ? B13 B14 B19 B20 -0.7(4) . . . . ? B13 B15 B16 N1 -139.2(3) . . . . ? B13 B15 B16 B11 -35.9(3) . . . . ? B13 B15 B16 B17 3.1(4) . . . . ? B13 B15 B16 B18 65.7(3) . . . . ? B13 B15 B16 B20 103.1(3) . . . . ? B13 B15 C18 B14 -36.4(3) . . . . ? B13 B15 C18 B19 -107.9(3) . . . . ? B13 B15 C18 B20 -144.1(3) . . . . ? B13 B15 B20 B16 -100.1(3) . . . . ? B13 B15 B20 B18 -62.7(3) . . . . ? B13 B15 B20 C18 32.4(3) . . . . ? B13 B15 B20 B19 -0.4(4) . . . . ? B13 C18 B19 B14 36.6(3) . . . . ? B13 C18 B19 C17 -4.3(4) . . . . ? B13 C18 B19 B18 -65.2(4) . . . . ? B13 C18 B19 B20 -106.6(3) . . . . ? B13 C18 B20 B15 -35.3(3) . . . . ? B13 C18 B20 B16 5.6(4) . . . . ? B13 C18 B20 B18 67.3(4) . . . . ? B13 C18 B20 B19 107.2(3) . . . . ? C14 C15 C16 C11 1.4(7) . . . . ? B14 B12 B13 B11 -136.7(3) . . . . ? B14 B12 B13 B15 -98.8(3) . . . . ? B14 B12 B13 C18 -38.7(3) . . . . ? B14 B12 C17 B17 142.0(3) . . . . ? B14 B12 C17 B18 106.6(3) . . . . ? B14 B12 C17 B19 36.3(3) . . . . ? B14 B12 B17 B11 99.6(3) . . . . ? B14 B12 B17 B16 63.9(4) . . . . ? B14 B12 B17 C17 -33.1(3) . . . . ? B14 B12 B17 B18 -0.7(4) . . . . ? B14 B13 B15 B11 -100.3(3) . . . . ? B14 B13 B15 B16 -64.7(3) . . . . ? B14 B13 B15 C18 32.4(3) . . . . ? B14 B13 B15 B20 0.0(4) . . . . ? B14 B13 C18 B15 -142.6(3) . . . . ? B14 B13 C18 B19 -37.2(3) . . . . ? B14 B13 C18 B20 -107.4(3) . . . . ? B14 C17 B17 B11 -4.6(4) . . . . ? B14 C17 B17 B12 36.8(3) . . . . ? B14 C17 B17 B16 -66.0(4) . . . . ? B14 C17 B17 B18 -107.2(3) . . . . ? B14 C17 B18 B16 65.0(4) . . . . ? B14 C17 B18 B17 105.7(3) . . . . ? B14 C17 B18 B19 -37.2(3) . . . . ? B14 C17 B18 B20 2.8(4) . . . . ? B14 C17 B19 B18 142.6(3) . . . . ? B14 C17 B19 C18 40.6(3) . . . . ? B14 C17 B19 B20 101.4(3) . . . . ? B14 C18 B19 C17 -40.9(3) . . . . ? B14 C18 B19 B18 -101.8(3) . . . . ? B14 C18 B19 B20 -143.2(3) . . . . ? B14 C18 B20 B15 -105.7(3) . . . . ? B14 C18 B20 B16 -64.8(4) . . . . ? B14 C18 B20 B18 -3.1(4) . . . . ? B14 C18 B20 B19 36.8(3) . . . . ? B14 B19 B20 B15 0.6(4) . . . . ? B14 B19 B20 B16 63.5(3) . . . . ? B14 B19 B20 B18 101.2(3) . . . . ? B14 B19 B20 C18 -32.0(3) . . . . ? B15 B11 B12 B13 -37.6(3) . . . . ? B15 B11 B12 B14 0.3(4) . . . . ? B15 B11 B12 C17 60.6(3) . . . . ? B15 B11 B12 B17 100.2(3) . . . . ? B15 B11 B13 B12 137.8(3) . . . . ? B15 B11 B13 B14 99.7(3) . . . . ? B15 B11 B13 C18 39.8(3) . . . . ? B15 B11 B16 N1 111.3(3) . . . . ? B15 B11 B16 B17 -136.5(3) . . . . ? B15 B11 B16 B18 -100.1(3) . . . . ? B15 B11 B16 B20 -36.5(3) . . . . ? B15 B11 B17 B12 -101.0(3) . . . . ? B15 B11 B17 B16 38.8(2) . . . . ? B15 B11 B17 C17 -60.1(3) . . . . ? B15 B11 B17 B18 1.9(4) . . . . ? B15 B13 B14 B12 101.6(3) . . . . ? B15 B13 B14 C17 61.2(4) . . . . ? B15 B13 B14 C18 -32.4(2) . . . . ? B15 B13 B14 B19 0.4(4) . . . . ? B15 B13 C18 B14 142.6(3) . . . . ? B15 B13 C18 B19 105.4(3) . . . . ? B15 B13 C18 B20 35.2(3) . . . . ? B15 B16 B17 B11 -39.2(2) . . . . ? B15 B16 B17 B12 -2.9(4) . . . . ? B15 B16 B17 C17 59.2(3) . . . . ? B15 B16 B17 B18 99.8(3) . . . . ? B15 B16 B18 C17 -61.4(3) . . . . ? B15 B16 B18 B17 -101.1(3) . . . . ? B15 B16 B18 B19 -0.8(4) . . . . ? B15 B16 B18 B20 37.1(3) . . . . ? B15 B16 B20 B18 -137.9(3) . . . . ? B15 B16 B20 C18 -40.0(3) . . . . ? B15 B16 B20 B19 -100.5(3) . . . . ? B15 C18 B19 B14 106.9(3) . . . . ? B15 C18 B19 C17 66.0(4) . . . . ? B15 C18 B19 B18 5.1(4) . . . . ? B15 C18 B19 B20 -36.3(3) . . . . ? B15 C18 B20 B16 40.9(2) . . . . ? B15 C18 B20 B18 102.6(3) . . . . ? B15 C18 B20 B19 142.6(3) . . . . ? B16 N1 C1 C2 178.8(3) . . . . ? B16 N1 C1 C9 -1.2(5) . . . . ? B16 N1 C8 C3 -179.0(3) . . . . ? B16 N1 C8 C7 0.7(6) . . . . ? B16 B11 B12 B13 -101.4(3) . . . . ? B16 B11 B12 B14 -63.5(3) . . . . ? B16 B11 B12 C17 -3.2(3) . . . . ? B16 B11 B12 B17 36.4(2) . . . . ? B16 B11 B13 B12 101.6(3) . . . . ? B16 B11 B13 B14 63.4(4) . . . . ? B16 B11 B13 B15 -36.2(3) . . . . ? B16 B11 B13 C18 3.5(4) . . . . ? B16 B11 B15 B13 139.8(3) . . . . ? B16 B11 B15 C18 99.2(3) . . . . ? B16 B11 B15 B20 37.1(3) . . . . ? B16 B11 B17 B12 -139.8(3) . . . . ? B16 B11 B17 C17 -98.9(3) . . . . ? B16 B11 B17 B18 -37.0(3) . . . . ? B16 B15 C18 B13 102.3(3) . . . . ? B16 B15 C18 B14 65.8(4) . . . . ? B16 B15 C18 B19 -5.6(4) . . . . ? B16 B15 C18 B20 -41.8(3) . . . . ? B16 B15 B20 B18 37.4(3) . . . . ? B16 B15 B20 C18 132.5(3) . . . . ? B16 B15 B20 B19 99.7(3) . . . . ? B16 B17 B18 C17 -133.0(3) . . . . ? B16 B17 B18 B19 -100.6(3) . . . . ? B16 B17 B18 B20 -37.5(3) . . . . ? B16 B18 B19 B14 -62.8(4) . . . . ? B16 B18 B19 C17 -95.6(3) . . . . ? B16 B18 B19 C18 -2.4(4) . . . . ? B16 B18 B19 B20 38.1(3) . . . . ? B16 B18 B20 B15 -37.4(3) . . . . ? B16 B18 B20 C18 -97.8(3) . . . . ? B16 B18 B20 B19 -137.3(3) . . . . ? C16 C11 C12 N2 -180.0(4) . . . . ? C16 C11 C12 C13 -0.7(6) . . . . ? C17 B12 B13 B11 -97.3(3) . . . . ? C17 B12 B13 B14 39.4(3) . . . . ? C17 B12 B13 B15 -59.5(3) . . . . ? C17 B12 B13 C18 0.7(3) . . . . ? C17 B12 B14 B13 -133.5(3) . . . . ? C17 B12 B14 C18 -93.2(3) . . . . ? C17 B12 B14 B19 -31.8(3) . . . . ? C17 B12 B17 B11 132.6(3) . . . . ? C17 B12 B17 B16 96.9(3) . . . . ? C17 B12 B17 B18 32.4(3) . . . . ? C17 B14 C18 B13 -102.0(3) . . . . ? C17 B14 C18 B15 -65.5(4) . . . . ? C17 B14 C18 B19 40.8(3) . . . . ? C17 B14 C18 B20 4.6(4) . . . . ? C17 B14 B19 B18 -33.4(3) . . . . ? C17 B14 B19 C18 -130.7(3) . . . . ? C17 B14 B19 B20 -98.0(3) . . . . ? C17 B17 B18 B16 133.0(3) . . . . ? C17 B17 B18 B19 32.5(3) . . . . ? C17 B17 B18 B20 95.5(3) . . . . ? C17 B18 B19 B14 32.9(3) . . . . ? C17 B18 B19 C18 93.2(3) . . . . ? C17 B18 B19 B20 133.7(3) . . . . ? C17 B18 B20 B15 60.5(3) . . . . ? C17 B18 B20 B16 97.9(3) . . . . ? C17 B18 B20 C18 0.2(3) . . . . ? C17 B18 B20 B19 -39.3(3) . . . . ? C17 B19 B20 B15 -60.3(4) . . . . ? C17 B19 B20 B16 2.5(4) . . . . ? C17 B19 B20 B18 40.3(3) . . . . ? C17 B19 B20 C18 -93.0(3) . . . . ? B17 B11 B12 B13 -137.9(3) . . . . ? B17 B11 B12 B14 -99.9(3) . . . . ? B17 B11 B12 C17 -39.6(2) . . . . ? B17 B11 B13 B12 37.5(3) . . . . ? B17 B11 B13 B14 -0.6(4) . . . . ? B17 B11 B13 B15 -100.3(3) . . . . ? B17 B11 B13 C18 -60.5(3) . . . . ? B17 B11 B15 B13 100.9(3) . . . . ? B17 B11 B15 B16 -39.0(3) . . . . ? B17 B11 B15 C18 60.2(3) . . . . ? B17 B11 B15 B20 -1.8(4) . . . . ? B17 B11 B16 N1 -112.2(3) . . . . ? B17 B11 B16 B15 136.5(3) . . . . ? B17 B11 B16 B18 36.4(2) . . . . ? B17 B11 B16 B20 99.9(3) . . . . ? B17 B12 B13 B11 -37.4(3) . . . . ? B17 B12 B13 B14 99.2(3) . . . . ? B17 B12 B13 B15 0.4(4) . . . . ? B17 B12 B13 C18 60.6(3) . . . . ? B17 B12 B14 B13 -100.7(3) . . . . ? B17 B12 B14 C17 32.8(3) . . . . ? B17 B12 B14 C18 -60.4(4) . . . . ? B17 B12 B14 B19 1.0(4) . . . . ? B17 B12 C17 B14 -142.0(3) . . . . ? B17 B12 C17 B18 -35.4(3) . . . . ? B17 B12 C17 B19 -105.7(3) . . . . ? B17 B16 B18 C17 39.6(2) . . . . ? B17 B16 B18 B19 100.3(3) . . . . ? B17 B16 B18 B20 138.2(3) . . . . ? B17 B16 B20 B15 101.0(3) . . . . ? B17 B16 B20 B18 -36.9(3) . . . . ? B17 B16 B20 C18 61.0(3) . . . . ? B17 B16 B20 B19 0.6(4) . . . . ? B17 C17 B18 B16 -40.7(2) . . . . ? B17 C17 B18 B19 -143.0(3) . . . . ? B17 C17 B18 B20 -102.9(3) . . . . ? B17 C17 B19 B14 -106.5(3) . . . . ? B17 C17 B19 B18 36.1(3) . . . . ? B17 C17 B19 C18 -65.9(4) . . . . ? B17 C17 B19 B20 -5.0(4) . . . . ? B17 B18 B19 B14 0.6(4) . . . . ? B17 B18 B19 C17 -32.3(3) . . . . ? B17 B18 B19 C18 60.9(4) . . . . ? B17 B18 B19 B20 101.4(3) . . . . ? B17 B18 B20 B15 0.1(4) . . . . ? B17 B18 B20 B16 37.5(3) . . . . ? B17 B18 B20 C18 -60.3(3) . . . . ? B17 B18 B20 B19 -99.8(3) . . . . ? B18 B16 B17 B11 -139.0(3) . . . . ? B18 B16 B17 B12 -102.7(3) . . . . ? B18 B16 B17 C17 -40.6(3) . . . . ? B18 B16 B20 B15 137.9(3) . . . . ? B18 B16 B20 C18 97.9(3) . . . . ? B18 B16 B20 B19 37.5(3) . . . . ? B18 C17 B17 B11 102.6(3) . . . . ? B18 C17 B17 B12 144.1(3) . . . . ? B18 C17 B17 B16 41.3(3) . . . . ? B18 C17 B19 B14 -142.6(3) . . . . ? B18 C17 B19 C18 -102.0(3) . . . . ? B18 C17 B19 B20 -41.1(3) . . . . ? B18 B19 B20 B15 -100.6(3) . . . . ? B18 B19 B20 B16 -37.8(3) . . . . ? B18 B19 B20 C18 -133.3(3) . . . . ? C18 B13 B14 B12 134.1(3) . . . . ? C18 B13 B14 C17 93.6(3) . . . . ? C18 B13 B14 B19 32.9(3) . . . . ? C18 B13 B15 B11 -132.7(3) . . . . ? C18 B13 B15 B16 -97.1(3) . . . . ? C18 B13 B15 B20 -32.4(3) . . . . ? C18 B14 C17 B12 102.7(3) . . . . ? C18 B14 C17 B17 65.6(4) . . . . ? C18 B14 C17 B18 -4.5(4) . . . . ? C18 B14 C17 B19 -41.1(3) . . . . ? C18 B14 B19 C17 130.7(3) . . . . ? C18 B14 B19 B18 97.4(3) . . . . ? C18 B14 B19 B20 32.8(3) . . . . ? C18 B15 B16 N1 158.8(3) . . . . ? C18 B15 B16 B11 -97.9(3) . . . . ? C18 B15 B16 B17 -58.9(3) . . . . ? C18 B15 B16 B18 3.7(4) . . . . ? C18 B15 B16 B20 41.1(3) . . . . ? C18 B15 B20 B16 -132.5(3) . . . . ? C18 B15 B20 B18 -95.1(3) . . . . ? C18 B15 B20 B19 -32.8(3) . . . . ? C18 B19 B20 B15 32.7(2) . . . . ? C18 B19 B20 B16 95.5(3) . . . . ? C18 B19 B20 B18 133.3(3) . . . . ? B19 B14 C17 B12 143.8(3) . . . . ? B19 B14 C17 B17 106.7(3) . . . . ? B19 B14 C17 B18 36.6(3) . . . . ? B19 B14 C18 B13 -142.8(3) . . . . ? B19 B14 C18 B15 -106.3(3) . . . . ? B19 B14 C18 B20 -36.2(3) . . . . ? B19 C17 B17 B11 66.7(4) . . . . ? B19 C17 B17 B12 108.2(3) . . . . ? B19 C17 B17 B16 5.4(4) . . . . ? B19 C17 B17 B18 -35.9(3) . . . . ? B19 C17 B18 B16 102.2(3) . . . . ? B19 C17 B18 B17 143.0(3) . . . . ? B19 C17 B18 B20 40.0(3) . . . . ? B19 B18 B20 B15 99.9(3) . . . . ? B19 B18 B20 B16 137.3(3) . . . . ? B19 B18 B20 C18 39.5(3) . . . . ? B19 C18 B20 B15 -142.6(3) . . . . ? B19 C18 B20 B16 -101.7(3) . . . . ? B19 C18 B20 B18 -40.0(3) . . . . ? B20 B15 B16 N1 117.7(4) . . . . ? B20 B15 B16 B11 -139.0(3) . . . . ? B20 B15 B16 B17 -99.9(3) . . . . ? B20 B15 B16 B18 -37.4(3) . . . . ? B20 B15 C18 B13 144.1(3) . . . . ? B20 B15 C18 B14 107.7(3) . . . . ? B20 B15 C18 B19 36.2(3) . . . . ? B20 B16 B17 B11 -101.8(3) . . . . ? B20 B16 B17 B12 -65.5(3) . . . . ? B20 B16 B17 C17 -3.4(4) . . . . ? B20 B16 B17 B18 37.2(3) . . . . ? B20 B16 B18 C17 -98.6(3) . . . . ? B20 B16 B18 B17 -138.2(3) . . . . ? B20 B16 B18 B19 -37.9(3) . . . . ? B20 B18 B19 B14 -100.9(3) . . . . ? B20 B18 B19 C17 -133.7(3) . . . . ? B20 B18 B19 C18 -40.5(3) . . . . ? B20 C18 B19 B14 143.2(3) . . . . ? B20 C18 B19 C17 102.3(3) . . . . ? B20 C18 B19 B18 41.4(3) . . . . ? B1 B2 B3 B4 63.4(3) . . . . ? B1 B2 B3 B7 -36.7(3) . . . . ? B1 B2 B3 B10 101.1(3) . . . . ? B1 B2 B3 C35 2.9(3) . . . . ? B1 B2 N3 C25 -177.4(3) . . . . ? B1 B2 N3 C26 0.0(4) . . . . ? B1 B2 B7 B3 139.4(3) . . . . ? B1 B2 B7 B6 36.9(3) . . . . ? B1 B2 B7 C35 98.8(3) . . . . ? B1 B2 B9 B8 -37.0(3) . . . . ? B1 B2 B9 B10 -139.7(3) . . . . ? B1 B2 B9 C36 -99.0(3) . . . . ? B1 B2 B10 B3 -101.5(3) . . . . ? B1 B2 B10 B4 -63.3(4) . . . . ? B1 B2 B10 B9 36.3(3) . . . . ? B1 B2 B10 C36 -3.2(3) . . . . ? B1 N4 C27 C26 5.0(5) . . . . ? B1 N4 C27 C28 -176.3(3) . . . . ? B1 N4 C30 C29 175.7(3) . . . . ? B1 N4 C30 C31 -4.8(6) . . . . ? B1 B6 B7 B2 -36.8(3) . . . . ? B1 B6 B7 B3 -100.8(3) . . . . ? B1 B6 B7 C35 -133.4(3) . . . . ? B1 B6 B8 B5 137.4(3) . . . . ? B1 B6 B8 B9 38.2(3) . . . . ? B1 B6 B8 C36 98.6(3) . . . . ? B1 B6 C35 B3 4.7(4) . . . . ? B1 B6 C35 B4 -65.8(4) . . . . ? B1 B6 C35 B5 -102.2(3) . . . . ? B1 B6 C35 B7 40.7(2) . . . . ? B1 B7 C35 B3 103.1(3) . . . . ? B1 B7 C35 B4 66.2(4) . . . . ? B1 B7 C35 B5 -4.6(4) . . . . ? B1 B7 C35 B6 -40.6(3) . . . . ? B1 B8 B9 B2 36.8(3) . . . . ? B1 B8 B9 B10 101.0(3) . . . . ? B1 B8 B9 C36 133.7(3) . . . . ? B1 B8 C36 B4 65.0(3) . . . . ? B1 B8 C36 B5 101.6(3) . . . . ? B1 B8 C36 B9 -40.3(2) . . . . ? B1 B8 C36 B10 -5.0(4) . . . . ? B1 B9 B10 B2 -36.3(3) . . . . ? B1 B9 B10 B3 1.3(4) . . . . ? B1 B9 B10 B4 64.3(4) . . . . ? B1 B9 B10 C36 96.8(3) . . . . ? B1 B9 C36 B4 -67.1(4) . . . . ? B1 B9 C36 B5 3.7(4) . . . . ? B1 B9 C36 B8 40.6(3) . . . . ? B1 B9 C36 B10 -103.3(3) . . . . ? B2 B1 N4 C27 -2.7(4) . . . . ? B2 B1 N4 C30 -179.0(3) . . . . ? B2 B1 B6 B5 -63.1(4) . . . . ? B2 B1 B6 B7 36.7(3) . . . . ? B2 B1 B6 B8 -100.9(3) . . . . ? B2 B1 B6 C35 -2.5(4) . . . . ? B2 B1 B7 B3 -36.6(3) . . . . ? B2 B1 B7 B6 -138.7(3) . . . . ? B2 B1 B7 C35 -98.5(3) . . . . ? B2 B1 B8 B5 62.9(3) . . . . ? B2 B1 B8 B6 100.5(3) . . . . ? B2 B1 B8 B9 -36.8(3) . . . . ? B2 B1 B8 C36 2.5(3) . . . . ? B2 B1 B9 B8 138.9(3) . . . . ? B2 B1 B9 B10 36.5(3) . . . . ? B2 B1 B9 C36 98.9(3) . . . . ? B2 B3 B4 B5 -63.7(3) . . . . ? B2 B3 B4 B10 38.1(3) . . . . ? B2 B3 B4 C35 -95.8(3) . . . . ? B2 B3 B4 C36 -2.5(4) . . . . ? B2 B3 B7 B1 36.3(3) . . . . ? B2 B3 B7 B6 100.1(3) . . . . ? B2 B3 B7 C35 132.8(3) . . . . ? B2 B3 B10 B4 -136.9(3) . . . . ? B2 B3 B10 B9 -37.7(3) . . . . ? B2 B3 B10 C36 -97.9(3) . . . . ? B2 B3 C35 B4 101.4(3) . . . . ? B2 B3 C35 B5 65.1(3) . . . . ? B2 B3 C35 B6 -4.9(4) . . . . ? B2 B3 C35 B7 -40.9(2) . . . . ? B2 N3 C25 C20 177.8(3) . . . . ? B2 N3 C25 C24 -2.1(6) . . . . ? B2 N3 C26 C19 -178.0(3) . . . . ? B2 N3 C26 C27 2.1(5) . . . . ? B2 B7 C35 B3 41.2(3) . . . . ? B2 B7 C35 B4 4.3(4) . . . . ? B2 B7 C35 B5 -66.5(4) . . . . ? B2 B7 C35 B6 -102.5(3) . . . . ? B2 B9 B10 B3 37.6(3) . . . . ? B2 B9 B10 B4 100.5(3) . . . . ? B2 B9 B10 C36 133.0(3) . . . . ? B2 B9 C36 B4 -4.9(4) . . . . ? B2 B9 C36 B5 65.9(4) . . . . ? B2 B9 C36 B8 102.8(3) . . . . ? B2 B9 C36 B10 -41.1(3) . . . . ? B2 B10 C36 B4 -101.8(3) . . . . ? B2 B10 C36 B5 -64.9(3) . . . . ? B2 B10 C36 B8 5.2(4) . . . . ? B2 B10 C36 B9 40.7(2) . . . . ? B3 B2 N3 C25 41.7(5) . . . . ? B3 B2 N3 C26 -140.8(3) . . . . ? B3 B2 B7 B1 -139.4(3) . . . . ? B3 B2 B7 B6 -102.5(3) . . . . ? B3 B2 B7 C35 -40.6(3) . . . . ? B3 B2 B9 B1 101.9(3) . . . . ? B3 B2 B9 B8 64.9(3) . . . . ? B3 B2 B9 B10 -37.7(3) . . . . ? B3 B2 B9 C36 3.0(4) . . . . ? B3 B2 B10 B4 38.2(3) . . . . ? B3 B2 B10 B9 137.8(3) . . . . ? B3 B2 B10 C36 98.3(3) . . . . ? B3 B4 B5 B6 0.7(4) . . . . ? B3 B4 B5 B8 65.3(4) . . . . ? B3 B4 B5 C35 -32.5(3) . . . . ? B3 B4 B5 C36 98.2(3) . . . . ? B3 B4 B10 B2 -38.2(3) . . . . ? B3 B4 B10 B9 -101.3(3) . . . . ? B3 B4 B10 C36 -133.8(3) . . . . ? B3 B4 C35 B5 143.5(3) . . . . ? B3 B4 C35 B6 107.5(3) . . . . ? B3 B4 C35 B7 36.9(3) . . . . ? B3 B4 C36 B5 -101.7(3) . . . . ? B3 B4 C36 B8 -65.5(4) . . . . ? B3 B4 C36 B9 4.7(4) . . . . ? B3 B4 C36 B10 41.1(3) . . . . ? B3 B7 C35 B4 -36.9(3) . . . . ? B3 B7 C35 B5 -107.7(3) . . . . ? B3 B7 C35 B6 -143.7(3) . . . . ? B3 B10 C36 B4 -40.0(3) . . . . ? B3 B10 C36 B5 -3.1(4) . . . . ? B3 B10 C36 B8 67.0(3) . . . . ? B3 B10 C36 B9 102.5(3) . . . . ? N3 B2 B3 B4 -154.3(3) . . . . ? N3 B2 B3 B7 105.6(4) . . . . ? N3 B2 B3 B10 -116.5(4) . . . . ? N3 B2 B3 C35 145.3(3) . . . . ? N3 B2 B7 B1 102.4(4) . . . . ? N3 B2 B7 B3 -118.2(4) . . . . ? N3 B2 B7 B6 139.3(3) . . . . ? N3 B2 B7 C35 -158.8(3) . . . . ? N3 B2 B9 B1 -101.9(4) . . . . ? N3 B2 B9 B8 -138.9(3) . . . . ? N3 B2 B9 B10 118.4(4) . . . . ? N3 B2 B9 C36 159.1(3) . . . . ? N3 B2 B10 B3 116.0(4) . . . . ? N3 B2 B10 B4 154.2(4) . . . . ? N3 B2 B10 B9 -106.2(4) . . . . ? N3 B2 B10 C36 -145.8(3) . . . . ? N3 C26 C27 N4 -4.7(5) . . . . ? N3 C26 C27 C28 177.0(4) . . . . ? B4 B3 B7 B1 -63.6(3) . . . . ? B4 B3 B7 B2 -99.9(3) . . . . ? B4 B3 B7 B6 0.2(4) . . . . ? B4 B3 B7 C35 32.9(2) . . . . ? B4 B3 B10 B2 136.9(3) . . . . ? B4 B3 B10 B9 99.2(3) . . . . ? B4 B3 B10 C36 39.0(3) . . . . ? B4 B3 C35 B5 -36.3(3) . . . . ? B4 B3 C35 B6 -106.3(3) . . . . ? B4 B3 C35 B7 -142.3(3) . . . . ? B4 B5 B6 B1 63.0(4) . . . . ? B4 B5 B6 B7 -0.6(4) . . . . ? B4 B5 B6 B8 101.0(3) . . . . ? B4 B5 B6 C35 -32.8(3) . . . . ? B4 B5 B8 B1 -63.9(4) . . . . ? B4 B5 B8 B6 -101.7(3) . . . . ? B4 B5 B8 B9 -0.7(4) . . . . ? B4 B5 B8 C36 32.4(3) . . . . ? B4 B5 C35 B3 36.1(3) . . . . ? B4 B5 C35 B6 143.0(3) . . . . ? B4 B5 C35 B7 106.6(3) . . . . ? B4 B5 C36 B8 -143.2(3) . . . . ? B4 B5 C36 B9 -106.2(4) . . . . ? B4 B5 C36 B10 -36.4(3) . . . . ? B4 B10 C36 B5 36.9(3) . . . . ? B4 B10 C36 B8 107.0(3) . . . . ? B4 B10 C36 B9 142.5(3) . . . . ? N4 B1 B2 B3 148.1(3) . . . . ? N4 B1 B2 N3 0.3(4) . . . . ? N4 B1 B2 B7 111.8(3) . . . . ? N4 B1 B2 B9 -111.8(3) . . . . ? N4 B1 B2 B10 -147.9(3) . . . . ? N4 B1 B6 B5 154.4(4) . . . . ? N4 B1 B6 B7 -105.8(4) . . . . ? N4 B1 B6 B8 116.6(4) . . . . ? N4 B1 B6 C35 -145.0(3) . . . . ? N4 B1 B7 B2 -102.0(4) . . . . ? N4 B1 B7 B3 -138.6(3) . . . . ? N4 B1 B7 B6 119.3(4) . . . . ? N4 B1 B7 C35 159.5(3) . . . . ? N4 B1 B8 B5 -154.5(3) . . . . ? N4 B1 B8 B6 -116.9(4) . . . . ? N4 B1 B8 B9 105.9(4) . . . . ? N4 B1 B8 C36 145.1(3) . . . . ? N4 B1 B9 B2 102.1(4) . . . . ? N4 B1 B9 B8 -119.0(4) . . . . ? N4 B1 B9 B10 138.5(3) . . . . ? N4 B1 B9 C36 -159.0(3) . . . . ? N4 C27 C28 C29 0.1(4) . . . . ? N4 C30 C31 C32 179.5(3) . . . . ? B5 B4 B10 B2 62.7(4) . . . . ? B5 B4 B10 B3 100.9(3) . . . . ? B5 B4 B10 B9 -0.4(4) . . . . ? B5 B4 B10 C36 -32.9(3) . . . . ? B5 B4 C35 B3 -143.5(3) . . . . ? B5 B4 C35 B6 -36.0(3) . . . . ? B5 B4 C35 B7 -106.5(3) . . . . ? B5 B4 C36 B8 36.2(3) . . . . ? B5 B4 C36 B9 106.4(3) . . . . ? B5 B4 C36 B10 142.7(3) . . . . ? B5 B6 B7 B1 101.0(3) . . . . ? B5 B6 B7 B2 64.2(3) . . . . ? B5 B6 B7 B3 0.2(3) . . . . ? B5 B6 B7 C35 -32.4(2) . . . . ? B5 B6 B8 B1 -137.4(3) . . . . ? B5 B6 B8 B9 -99.2(3) . . . . ? B5 B6 B8 C36 -38.8(3) . . . . ? B5 B6 C35 B3 107.0(3) . . . . ? B5 B6 C35 B4 36.4(3) . . . . ? B5 B6 C35 B7 142.9(3) . . . . ? B5 B8 B9 B1 -100.6(3) . . . . ? B5 B8 B9 B2 -63.8(4) . . . . ? B5 B8 B9 B10 0.4(4) . . . . ? B5 B8 B9 C36 33.1(3) . . . . ? B5 B8 C36 B4 -36.6(3) . . . . ? B5 B8 C36 B9 -141.9(3) . . . . ? B5 B8 C36 B10 -106.6(3) . . . . ? B6 B1 B2 B3 -0.3(4) . . . . ? B6 B1 B2 N3 -148.2(3) . . . . ? B6 B1 B2 B7 -36.6(3) . . . . ? B6 B1 B2 B9 99.8(3) . . . . ? B6 B1 B2 B10 63.7(3) . . . . ? B6 B1 N4 C27 137.9(4) . . . . ? B6 B1 N4 C30 -38.4(5) . . . . ? B6 B1 B7 B2 138.7(3) . . . . ? B6 B1 B7 B3 102.2(3) . . . . ? B6 B1 B7 C35 40.2(3) . . . . ? B6 B1 B8 B5 -37.5(3) . . . . ? B6 B1 B8 B9 -137.2(3) . . . . ? B6 B1 B8 C36 -98.0(3) . . . . ? B6 B1 B9 B2 -101.0(3) . . . . ? B6 B1 B9 B8 37.9(3) . . . . ? B6 B1 B9 B10 -64.6(4) . . . . ? B6 B1 B9 C36 -2.1(4) . . . . ? B6 B5 B8 B1 37.9(3) . . . . ? B6 B5 B8 B9 101.1(3) . . . . ? B6 B5 B8 C36 134.1(3) . . . . ? B6 B5 C35 B3 -107.0(3) . . . . ? B6 B5 C35 B4 -143.0(3) . . . . ? B6 B5 C35 B7 -36.4(3) . . . . ? B6 B5 C36 B4 102.5(3) . . . . ? B6 B5 C36 B8 -40.7(3) . . . . ? B6 B5 C36 B9 -3.7(5) . . . . ? B6 B5 C36 B10 66.2(4) . . . . ? B6 B7 C35 B3 143.7(3) . . . . ? B6 B7 C35 B4 106.8(3) . . . . ? B6 B7 C35 B5 36.0(3) . . . . ? B6 B8 B9 B1 -38.2(3) . . . . ? B6 B8 B9 B2 -1.3(4) . . . . ? B6 B8 B9 B10 62.9(4) . . . . ? B6 B8 B9 C36 95.5(3) . . . . ? B6 B8 C36 B4 2.9(4) . . . . ? B6 B8 C36 B5 39.5(3) . . . . ? B6 B8 C36 B9 -102.4(3) . . . . ? B6 B8 C36 B10 -67.1(3) . . . . ? B7 B1 B2 B3 36.3(3) . . . . ? B7 B1 B2 N3 -111.5(3) . . . . ? B7 B1 B2 B9 136.4(3) . . . . ? B7 B1 B2 B10 100.3(3) . . . . ? B7 B1 N4 C27 64.9(4) . . . . ? B7 B1 N4 C30 -111.4(4) . . . . ? B7 B1 B6 B5 -99.8(3) . . . . ? B7 B1 B6 B8 -137.6(3) . . . . ? B7 B1 B6 C35 -39.2(2) . . . . ? B7 B1 B8 B5 -0.1(4) . . . . ? B7 B1 B8 B6 37.5(3) . . . . ? B7 B1 B8 B9 -99.8(3) . . . . ? B7 B1 B8 C36 -60.5(3) . . . . ? B7 B1 B9 B2 -38.5(2) . . . . ? B7 B1 B9 B8 100.4(3) . . . . ? B7 B1 B9 B10 -2.0(4) . . . . ? B7 B1 B9 C36 60.4(3) . . . . ? B7 B2 B3 B4 100.1(3) . . . . ? B7 B2 B3 B10 137.9(3) . . . . ? B7 B2 B3 C35 39.7(2) . . . . ? B7 B2 N3 C25 114.1(4) . . . . ? B7 B2 N3 C26 -68.4(4) . . . . ? B7 B2 B9 B1 39.1(2) . . . . ? B7 B2 B9 B8 2.0(4) . . . . ? B7 B2 B9 B10 -100.6(3) . . . . ? B7 B2 B9 C36 -59.9(3) . . . . ? B7 B2 B10 B3 -37.4(3) . . . . ? B7 B2 B10 B4 0.8(4) . . . . ? B7 B2 B10 B9 100.4(3) . . . . ? B7 B2 B10 C36 60.9(3) . . . . ? B7 B3 B4 B5 -0.6(4) . . . . ? B7 B3 B4 B10 101.2(3) . . . . ? B7 B3 B4 C35 -32.8(2) . . . . ? B7 B3 B4 C36 60.6(3) . . . . ? B7 B3 B10 B2 37.7(3) . . . . ? B7 B3 B10 B4 -99.2(3) . . . . ? B7 B3 B10 B9 0.0(4) . . . . ? B7 B3 B10 C36 -60.3(3) . . . . ? B7 B3 C35 B4 142.3(3) . . . . ? B7 B3 C35 B5 106.0(3) . . . . ? B7 B3 C35 B6 36.0(3) . . . . ? B7 B6 B8 B1 -38.1(3) . . . . ? B7 B6 B8 B5 99.3(3) . . . . ? B7 B6 B8 B9 0.1(4) . . . . ? B7 B6 B8 C36 60.5(3) . . . . ? B7 B6 C35 B3 -35.9(3) . . . . ? B7 B6 C35 B4 -106.4(3) . . . . ? B7 B6 C35 B5 -142.9(3) . . . . ? B8 B1 B2 B3 -63.5(3) . . . . ? B8 B1 B2 N3 148.6(3) . . . . ? B8 B1 B2 B7 -99.8(3) . . . . ? B8 B1 B2 B9 36.6(2) . . . . ? B8 B1 B2 B10 0.5(3) . . . . ? B8 B1 N4 C27 -143.5(3) . . . . ? B8 B1 N4 C30 40.2(5) . . . . ? B8 B1 B6 B5 37.8(3) . . . . ? B8 B1 B6 B7 137.6(3) . . . . ? B8 B1 B6 C35 98.4(3) . . . . ? B8 B1 B7 B2 101.2(3) . . . . ? B8 B1 B7 B3 64.6(3) . . . . ? B8 B1 B7 B6 -37.6(3) . . . . ? B8 B1 B7 C35 2.7(4) . . . . ? B8 B1 B9 B2 -138.9(3) . . . . ? B8 B1 B9 B10 -102.5(3) . . . . ? B8 B1 B9 C36 -40.0(3) . . . . ? B8 B5 B6 B1 -37.9(3) . . . . ? B8 B5 B6 B7 -101.6(3) . . . . ? B8 B5 B6 C35 -133.7(3) . . . . ? B8 B5 C35 B3 -66.0(4) . . . . ? B8 B5 C35 B4 -102.1(3) . . . . ? B8 B5 C35 B6 41.0(3) . . . . ? B8 B5 C35 B7 4.6(4) . . . . ? B8 B5 C36 B4 143.2(3) . . . . ? B8 B5 C36 B9 37.0(3) . . . . ? B8 B5 C36 B10 106.8(3) . . . . ? B8 B6 B7 B1 37.9(3) . . . . ? B8 B6 B7 B2 1.2(4) . . . . ? B8 B6 B7 B3 -62.8(3) . . . . ? B8 B6 B7 C35 -95.5(3) . . . . ? B8 B6 C35 B3 66.9(4) . . . . ? B8 B6 C35 B4 -3.6(4) . . . . ? B8 B6 C35 B5 -40.1(3) . . . . ? B8 B6 C35 B7 102.8(3) . . . . ? B8 B9 B10 B2 -100.6(3) . . . . ? B8 B9 B10 B3 -63.0(4) . . . . ? B8 B9 B10 B4 0.0(4) . . . . ? B8 B9 B10 C36 32.5(3) . . . . ? B8 B9 C36 B4 -107.7(3) . . . . ? B8 B9 C36 B5 -36.9(3) . . . . ? B8 B9 C36 B10 -143.9(3) . . . . ? B9 B1 B2 B3 -100.1(3) . . . . ? B9 B1 B2 N3 112.1(3) . . . . ? B9 B1 B2 B7 -136.4(3) . . . . ? B9 B1 B2 B10 -36.1(2) . . . . ? B9 B1 N4 C27 -70.6(4) . . . . ? B9 B1 N4 C30 113.1(4) . . . . ? B9 B1 B6 B5 0.1(4) . . . . ? B9 B1 B6 B7 99.9(3) . . . . ? B9 B1 B6 B8 -37.7(3) . . . . ? B9 B1 B6 C35 60.7(3) . . . . ? B9 B1 B7 B2 38.6(3) . . . . ? B9 B1 B7 B3 2.0(4) . . . . ? B9 B1 B7 B6 -100.2(3) . . . . ? B9 B1 B7 C35 -59.9(3) . . . . ? B9 B1 B8 B5 99.7(3) . . . . ? B9 B1 B8 B6 137.2(3) . . . . ? B9 B1 B8 C36 39.2(2) . . . . ? B9 B2 B3 B4 -0.3(4) . . . . ? B9 B2 B3 B7 -100.4(3) . . . . ? B9 B2 B3 B10 37.4(3) . . . . ? B9 B2 B3 C35 -60.8(3) . . . . ? B9 B2 N3 C25 -109.4(4) . . . . ? B9 B2 N3 C26 68.1(4) . . . . ? B9 B2 B7 B1 -38.9(3) . . . . ? B9 B2 B7 B3 100.6(3) . . . . ? B9 B2 B7 B6 -2.0(4) . . . . ? B9 B2 B7 C35 59.9(3) . . . . ? B9 B2 B10 B3 -137.8(3) . . . . ? B9 B2 B10 B4 -99.6(3) . . . . ? B9 B2 B10 C36 -39.6(2) . . . . ? B9 B8 C36 B4 105.3(3) . . . . ? B9 B8 C36 B5 141.9(3) . . . . ? B9 B8 C36 B10 35.4(3) . . . . ? B9 B10 C36 B4 -142.5(3) . . . . ? B9 B10 C36 B5 -105.6(3) . . . . ? B9 B10 C36 B8 -35.5(3) . . . . ? B10 B2 B3 B4 -37.8(3) . . . . ? B10 B2 B3 B7 -137.9(3) . . . . ? B10 B2 B3 C35 -98.2(3) . . . . ? B10 B2 N3 C25 -36.5(5) . . . . ? B10 B2 N3 C26 140.9(3) . . . . ? B10 B2 B7 B1 -101.7(3) . . . . ? B10 B2 B7 B3 37.7(3) . . . . ? B10 B2 B7 B6 -64.8(3) . . . . ? B10 B2 B7 C35 -2.9(4) . . . . ? B10 B2 B9 B1 139.7(3) . . . . ? B10 B2 B9 B8 102.7(3) . . . . ? B10 B2 B9 C36 40.7(3) . . . . ? B10 B3 B4 B5 -101.8(3) . . . . ? B10 B3 B4 C35 -133.9(3) . . . . ? B10 B3 B4 C36 -40.6(3) . . . . ? B10 B3 B7 B1 -1.3(4) . . . . ? B10 B3 B7 B2 -37.6(3) . . . . ? B10 B3 B7 B6 62.6(3) . . . . ? B10 B3 B7 C35 95.2(3) . . . . ? B10 B3 C35 B4 39.6(3) . . . . ? B10 B3 C35 B5 3.3(4) . . . . ? B10 B3 C35 B6 -66.7(3) . . . . ? B10 B3 C35 B7 -102.7(3) . . . . ? B10 B4 B5 B6 -63.8(4) . . . . ? B10 B4 B5 B8 0.7(4) . . . . ? B10 B4 B5 C35 -97.1(3) . . . . ? B10 B4 B5 C36 33.6(3) . . . . ? B10 B4 C35 B3 -40.8(3) . . . . ? B10 B4 C35 B5 102.7(3) . . . . ? B10 B4 C35 B6 66.7(4) . . . . ? B10 B4 C35 B7 -3.8(4) . . . . ? B10 B4 C36 B5 -142.7(3) . . . . ? B10 B4 C36 B8 -106.5(3) . . . . ? B10 B4 C36 B9 -36.3(3) . . . . ? B10 B9 C36 B4 36.2(3) . . . . ? B10 B9 C36 B5 107.0(3) . . . . ? B10 B9 C36 B8 143.9(3) . . . . ? C19 C20 C21 C22 -179.8(4) . . . . ? C19 C20 C25 N3 0.0(4) . . . . ? C19 C20 C25 C24 179.9(3) . . . . ? C19 C26 C27 N4 175.4(3) . . . . ? C19 C26 C27 C28 -2.9(6) . . . . ? C20 C19 C26 N3 0.1(4) . . . . ? C20 C19 C26 C27 180.0(3) . . . . ? C20 C21 C22 C23 -0.6(6) . . . . ? C21 C20 C25 N3 179.8(3) . . . . ? C21 C20 C25 C24 -0.3(5) . . . . ? C21 C22 C23 C24 0.5(6) . . . . ? C22 C23 C24 C25 -0.2(6) . . . . ? C23 C24 C25 N3 -180.0(3) . . . . ? C23 C24 C25 C20 0.1(5) . . . . ? C25 N3 C26 C19 -0.1(4) . . . . ? C25 N3 C26 C27 -180.0(3) . . . . ? C25 C20 C21 C22 0.5(5) . . . . ? C26 N3 C25 C20 0.0(3) . . . . ? C26 N3 C25 C24 -179.9(3) . . . . ? C26 C19 C20 C21 -179.8(4) . . . . ? C26 C19 C20 C25 -0.1(4) . . . . ? C26 C27 C28 C29 178.6(3) . . . . ? C27 N4 C30 C29 -1.0(4) . . . . ? C27 N4 C30 C31 178.4(3) . . . . ? C27 C28 C29 C30 -0.7(4) . . . . ? C27 C28 C29 C34 179.0(4) . . . . ? C28 C29 C30 N4 1.1(4) . . . . ? C28 C29 C30 C31 -178.4(3) . . . . ? C28 C29 C34 C33 178.6(4) . . . . ? C29 C30 C31 C32 -1.1(5) . . . . ? C30 N4 C27 C26 -178.0(3) . . . . ? C30 N4 C27 C28 0.6(4) . . . . ? C30 C29 C34 C33 -1.7(6) . . . . ? C30 C31 C32 C33 0.3(6) . . . . ? C31 C32 C33 C34 -0.3(6) . . . . ? C32 C33 C34 C29 1.0(6) . . . . ? C34 C29 C30 N4 -178.7(3) . . . . ? C34 C29 C30 C31 1.8(5) . . . . ? C35 B3 B4 B5 32.2(3) . . . . ? C35 B3 B4 B10 133.9(3) . . . . ? C35 B3 B4 C36 93.4(3) . . . . ? C35 B3 B7 B1 -96.5(3) . . . . ? C35 B3 B7 B2 -132.8(3) . . . . ? C35 B3 B7 B6 -32.7(2) . . . . ? C35 B3 B10 B2 97.8(3) . . . . ? C35 B3 B10 B4 -39.1(3) . . . . ? C35 B3 B10 B9 60.2(3) . . . . ? C35 B3 B10 C36 -0.1(3) . . . . ? C35 B4 B5 B6 33.2(2) . . . . ? C35 B4 B5 B8 97.7(3) . . . . ? C35 B4 B5 C36 130.7(3) . . . . ? C35 B4 B10 B2 1.7(4) . . . . ? C35 B4 B10 B3 39.8(3) . . . . ? C35 B4 B10 B9 -61.4(4) . . . . ? C35 B4 B10 C36 -94.0(3) . . . . ? C35 B4 C36 B5 -41.0(3) . . . . ? C35 B4 C36 B8 -4.8(4) . . . . ? C35 B4 C36 B9 65.3(4) . . . . ? C35 B4 C36 B10 101.7(3) . . . . ? C35 B5 B6 B1 95.8(3) . . . . ? C35 B5 B6 B7 32.2(2) . . . . ? C35 B5 B6 B8 133.7(3) . . . . ? C35 B5 B8 B1 -2.5(4) . . . . ? C35 B5 B8 B6 -40.4(3) . . . . ? C35 B5 B8 B9 60.7(4) . . . . ? C35 B5 B8 C36 93.8(3) . . . . ? C35 B5 C36 B4 41.2(3) . . . . ? C35 B5 C36 B8 -102.0(3) . . . . ? C35 B5 C36 B9 -65.0(4) . . . . ? C35 B5 C36 B10 4.9(4) . . . . ? C35 B6 B7 B1 133.4(3) . . . . ? C35 B6 B7 B2 96.6(3) . . . . ? C35 B6 B7 B3 32.6(2) . . . . ? C35 B6 B8 B1 -98.1(3) . . . . ? C35 B6 B8 B5 39.3(3) . . . . ? C35 B6 B8 B9 -59.9(3) . . . . ? C35 B6 B8 C36 0.4(3) . . . . ? C36 B4 B5 B6 -97.4(3) . . . . ? C36 B4 B5 B8 -32.9(3) . . . . ? C36 B4 B5 C35 -130.7(3) . . . . ? C36 B4 B10 B2 95.6(3) . . . . ? C36 B4 B10 B3 133.8(3) . . . . ? C36 B4 B10 B9 32.5(3) . . . . ? C36 B4 C35 B3 -102.4(3) . . . . ? C36 B4 C35 B5 41.1(3) . . . . ? C36 B4 C35 B6 5.1(4) . . . . ? C36 B4 C35 B7 -65.4(4) . . . . ? C36 B5 B6 B1 2.0(4) . . . . ? C36 B5 B6 B7 -61.6(4) . . . . ? C36 B5 B6 B8 40.0(3) . . . . ? C36 B5 B6 C35 -93.8(3) . . . . ? C36 B5 B8 B1 -96.3(3) . . . . ? C36 B5 B8 B6 -134.1(3) . . . . ? C36 B5 B8 B9 -33.1(3) . . . . ? C36 B5 C35 B3 -4.9(4) . . . . ? C36 B5 C35 B4 -41.0(2) . . . . ? C36 B5 C35 B6 102.0(3) . . . . ? C36 B5 C35 B7 65.6(4) . . . . ? C36 B8 B9 B1 -133.7(3) . . . . ? C36 B8 B9 B2 -96.9(3) . . . . ? C36 B8 B9 B10 -32.6(3) . . . . ? C36 B9 B10 B2 -133.0(3) . . . . ? C36 B9 B10 B3 -95.5(3) . . . . ? C36 B9 B10 B4 -32.5(3) . . . . ?