#------------------------------------------------------------------------------ #$Date: 2021-07-29 04:49:56 +0300 (Thu, 29 Jul 2021) $ #$Revision: 267793 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/42/1564260.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_1564260 loop_ _publ_author_name 'Jia, Xiangqing' 'Nitsch, J\"orn' 'Wu, Zhu' 'Friedrich, Alexandra' 'Krebs, Johannes' 'Krummenacher, Ivo' 'Fantuzzi, Felipe' 'Braunschweig, Holger' 'Moos, Michael' 'Lambert, Christoph' 'Engels, Bernd' 'Marder, Todd B.' _publ_section_title ; One- and Two-Electron Reduction of Triarylborane-Based Helical Donor-Acceptor Compounds ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D1SC02409D _journal_year 2021 _chemical_formula_moiety 'C54 H48 B N, 1.5(C12 H24 K O6), C4 H8 O' _chemical_formula_sum 'C76 H92 B K1.5 N O10' _chemical_formula_weight 1248.96 _chemical_name_systematic '1:1 13-(dimesitylboryl)-N,N-di-p-tolyldibenzo[c,g]phenanthren-8-amine (3-B(Mes)2-[5]helix-12-N(p-Tol)2) mono- and dianion' _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2020-03-25 _audit_creation_method ; Olex2 1.2-ac3 (compiled 2017.03.02 svn.r3394 for Rigaku Oxford Diffraction, GUI svn.r5318) ; _audit_update_record ; 2020-11-13 deposited with the CCDC. 2021-07-27 downloaded from the CCDC. ; _cell_angle_alpha 87.406(3) _cell_angle_beta 72.123(3) _cell_angle_gamma 67.804(3) _cell_formula_units_Z 2 _cell_length_a 13.5466(5) _cell_length_b 15.5380(6) _cell_length_c 18.5839(6) _cell_measurement_reflns_used 24209 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 72.7610 _cell_measurement_theta_min 2.5120 _cell_volume 3435.8(2) _computing_cell_refinement 'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' _computing_data_collection 'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' _computing_data_reduction 'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' _computing_molecular_graphics 'ShelXLe (Huebschle et all, 2011)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2008)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100(2) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type HyPix _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -43.00 -17.00 0.50 4.01 -- 6.00 129.00 -25.61 52 2 \w -35.00 -10.00 0.50 4.01 -- 10.00 120.00 -38.94 50 3 \w -59.00 -33.00 0.50 4.01 -- 10.00 160.00 88.17 52 4 \w -10.00 15.00 0.50 4.01 -- 22.00 96.00 81.99 50 5 \w 0.00 27.00 0.50 4.01 -- 30.00 98.00 15.24 54 6 \w 1.00 26.00 0.50 4.01 -- 34.00 98.00-135.52 50 7 \w 10.00 37.00 0.50 4.01 -- 38.00 92.00-171.96 54 8 \w 7.00 32.00 0.50 4.01 -- 38.00 94.00 46.97 50 9 \w 12.00 37.00 0.50 4.01 -- 42.00 92.00 -99.66 50 10 \w 17.00 42.00 0.50 4.01 -- 46.00 90.00 -54.36 50 11 \w 17.00 42.00 0.50 4.01 -- 46.00 90.00 88.89 50 12 \w 40.00 93.00 0.50 4.01 -- 47.70-125.00 60.00 106 13 \w 28.00 79.00 0.50 4.01 -- 47.70-108.00 138.00 102 14 \w -84.00 -13.00 0.50 4.01 -- -47.70 125.00 -60.00 142 15 \w -81.00 -1.00 0.50 4.01 -- -47.70 108.00-123.00 160 16 \w -71.00 -35.00 0.50 4.01 -- -47.70 -19.00 -30.00 72 17 \w -74.00 -35.00 0.50 4.01 -- -47.70 -19.00-150.00 78 18 \w -111.00 -85.00 0.50 4.01 -- -47.70 -19.00-150.00 52 19 \w -121.00 -41.00 0.50 4.01 -- -47.70 -19.00 -60.00 160 20 \w -54.00 -27.00 0.50 4.01 -- -50.00 -78.00-167.34 54 21 \w 31.00 63.00 0.50 4.01 -- 54.00 79.00 21.89 64 22 \w 32.00 59.00 0.50 4.01 -- 54.00 76.00 60.11 54 23 \w -58.00 -31.00 0.50 4.01 -- -54.00 -77.00 -90.79 54 24 \w -112.00 -30.00 0.50 4.01 -- -54.00 -79.00 164.41 164 25 \w 34.00 72.00 0.50 4.01 -- 58.00 79.00 103.01 76 26 \w 36.00 74.00 0.50 4.01 -- 58.00 75.00 146.74 76 27 \w -68.00 -35.00 0.50 4.01 -- -58.00 -78.00-109.50 66 28 \w -121.00 -95.00 0.50 4.01 -- -58.00 -78.00-109.50 52 29 \w 40.00 67.00 0.50 4.01 -- 62.00 75.00 -21.22 54 30 \w 39.00 64.00 0.50 4.01 -- 62.00 80.00-101.04 50 31 \w 71.00 97.00 0.50 4.01 -- 62.00 80.00-101.04 52 32 \w 38.00 65.00 0.50 4.01 -- 62.00 79.00-133.97 54 33 \w 41.00 67.00 0.50 4.01 -- 62.00 74.00 66.29 52 34 \w -75.00 -38.00 0.50 4.01 -- -62.00 -79.00 137.92 74 35 \w -132.00-106.00 0.50 4.01 -- -62.00 -79.00 137.92 52 36 \w 44.00 70.00 0.50 4.01 -- 66.00 76.00 -3.20 52 37 \w 42.00 68.00 0.50 4.01 -- 66.00 79.00 -52.50 52 38 \w 43.00 72.00 0.50 4.01 -- 66.00 77.00-115.17 58 39 \w 46.00 74.00 0.50 4.01 -- 66.00 73.00 -57.23 56 40 \w 43.00 76.00 0.50 4.01 -- 66.00 78.00 70.93 66 41 \w -71.00 -45.00 0.50 4.01 -- -66.00 -73.00 4.45 52 42 \w -74.00 -43.00 0.50 4.01 -- -66.00 -77.00 166.99 62 43 \w 47.00 73.00 0.50 4.01 -- 70.00 77.00 173.36 52 44 \w -78.00 -52.00 0.50 15.53 -- -74.00 -74.00-120.63 52 45 \w -78.00 -52.00 0.50 15.53 -- -74.00 -75.00 -53.16 52 46 \w -79.00 -53.00 0.50 15.53 -- -74.00 -72.00 27.47 52 47 \w -80.00 -54.00 0.50 15.53 -- -74.00 -73.00 126.41 52 48 \w -82.00 -52.00 0.50 15.53 -- -74.00 -75.00 120.04 60 49 \w -80.00 -54.00 0.50 15.53 -- -78.00 -79.00 -63.96 52 50 \w -82.00 -56.00 0.50 15.53 -- -78.00 -74.00 -10.54 52 51 \w -83.00 -57.00 0.50 15.53 -- -78.00 -73.00 5.47 52 52 \w -82.00 -56.00 0.50 15.53 -- -78.00 -75.00 -26.61 52 53 \w -82.00 -56.00 0.50 15.53 -- -78.00 -74.00 104.59 52 54 \w -95.00 -54.00 0.50 15.53 -- -78.00 -79.00 86.15 82 55 \w -85.00 -57.00 0.50 15.53 -- -78.00 -73.00 -99.31 56 56 \w -112.00 -56.00 0.50 15.53 -- -78.00 -75.00-150.24 112 57 \w -87.00 -61.00 0.50 15.53 -- -82.00 -75.00 64.74 52 58 \w -95.00 -64.00 0.50 15.53 -- -86.00 -74.00 77.75 62 59 \w -89.00 -63.00 0.50 15.53 -- -86.00 -76.00-126.31 52 60 \w -102.00 -63.00 0.50 15.53 -- -86.00 -76.00-155.85 78 61 \w -87.00 -62.00 0.50 15.53 -- -86.25 -80.00 26.25 50 62 \w -91.00 -65.00 0.50 15.53 -- -86.25 -74.00 45.82 52 63 \w -90.00 -63.00 0.50 15.53 -- -86.25 -77.00 60.00 54 64 \w -90.00 -64.00 0.50 15.53 -- -86.25 -77.00 120.00 52 65 \w -88.00 -62.00 0.50 15.53 -- -86.25 -80.00 140.92 52 66 \w -98.00 -65.00 0.50 15.53 -- -86.25 -74.00 153.30 66 67 \w -92.00 -65.00 0.50 15.53 -- -86.25 -74.00 35.15 54 68 \w -91.00 -65.00 0.50 15.53 -- -86.25 -72.00 -13.05 52 69 \w -90.00 -63.00 0.50 15.53 -- -86.25 -77.00 -34.29 54 70 \w -93.00 -65.00 0.50 15.53 -- -86.25 -75.00 -80.80 56 71 \w -90.00 -64.00 0.50 15.53 -- -86.25 -75.00-114.12 52 72 \w -97.00 -65.00 0.50 15.53 -- -86.25 -73.00-170.77 64 73 \w -101.00 -63.00 0.50 15.53 -- -86.25 -77.00 -60.00 76 74 \w -72.00 -47.00 0.50 15.53 -- -86.25 108.00-123.00 50 75 \w -122.00 -63.00 0.50 15.53 -- -86.25 -78.00 109.02 118 76 \w -145.00-120.00 0.50 15.53 -- -86.25-108.00 138.00 50 77 \w -156.00-129.00 0.50 15.53 -- -86.25 -80.00 26.25 54 78 \w -143.00 -63.00 0.50 15.53 -- -86.25 -77.00-180.00 160 79 \w 81.00 170.00 0.50 15.53 -- 102.00 76.00-164.38 178 80 \w 130.00 174.00 0.50 15.53 -- 102.00 77.00-139.52 88 81 \w 79.00 105.00 0.50 15.53 -- 102.00 78.00 -90.88 52 82 \w 79.00 105.00 0.50 15.53 -- 102.00 77.00-139.52 52 83 \w 48.00 120.00 0.50 15.53 -- 106.00-136.00 53.41 144 84 \w 143.00 176.00 0.50 15.53 -- 107.75 77.00-120.00 66 85 \w 138.00 175.00 0.50 15.53 -- 107.75 15.00-120.00 74 86 \w 138.00 165.00 0.50 15.53 -- 107.75 61.00 -90.00 54 87 \w 143.00 178.00 0.50 15.53 -- 107.75 61.00-120.00 70 88 \w 130.00 178.00 0.50 15.53 -- 107.75 77.00 -30.00 96 89 \w 136.00 178.00 0.50 15.53 -- 107.75 61.00 30.00 84 90 \w 139.00 177.00 0.50 15.53 -- 107.75 15.00 30.00 76 91 \w 143.00 175.00 0.50 15.53 -- 107.75 61.00 60.00 64 92 \w 128.00 165.00 0.50 15.53 -- 107.75 45.00 60.00 74 93 \w 120.00 174.00 0.50 15.53 -- 107.75 77.00 120.00 108 94 \w 115.00 176.00 0.50 15.53 -- 107.75 125.00 90.00 122 95 \w 95.00 126.00 0.50 15.53 -- 107.75 15.00 30.00 62 96 \w 87.00 144.00 0.50 15.53 -- 107.75 77.00 30.00 114 97 \w 91.00 169.00 0.50 15.53 -- 107.75 61.00 -60.00 156 98 \w 104.00 176.00 0.50 15.53 -- 107.75 108.00-123.00 144 99 \w 96.00 137.00 0.50 15.53 -- 107.75 45.00-120.00 82 100 \w 94.00 129.00 0.50 15.53 -- 107.75 61.00-120.00 70 101 \w 85.00 141.00 0.50 15.53 -- 107.75 77.00-180.00 112 102 \w 86.00 140.00 0.50 15.53 -- 107.75 77.00 -90.00 108 103 \w 96.00 135.00 0.50 15.53 -- 107.75 15.00-120.00 78 104 \w 91.00 122.00 0.50 15.53 -- 107.75 61.00 -90.00 62 105 \w 91.00 162.00 0.50 15.53 -- 107.75 61.00 -30.00 142 106 \w 92.00 129.00 0.50 15.53 -- 107.75 61.00 30.00 74 107 \w 85.00 148.00 0.50 15.53 -- 107.75 77.00 60.00 126 108 \w 92.00 174.00 0.50 15.53 -- 107.75 61.00 150.00 164 109 \w 96.00 164.00 0.50 15.53 -- 107.75 125.00 150.00 136 110 \w 96.00 148.00 0.50 15.53 -- 107.75 61.00 120.00 104 111 \w 93.00 174.00 0.50 15.53 -- 107.75 61.00 90.00 162 112 \w 92.00 119.00 0.50 15.53 -- 107.75 61.00 60.00 54 113 \w 91.00 155.00 0.50 15.53 -- 107.75 61.00 0.00 128 114 \w 85.00 178.00 0.50 15.53 -- 107.75 77.00 0.00 186 115 \w 85.00 154.00 0.50 15.53 -- 107.75 77.00 -60.00 138 116 \w 85.00 112.00 0.50 15.53 -- 107.75 77.00 -30.00 54 117 \w 86.00 139.00 0.50 15.53 -- 107.75 77.00-120.00 106 118 \w 92.00 117.00 0.50 15.53 -- 107.75 61.00-180.00 50 119 \w 85.00 112.00 0.50 15.53 -- 107.75 77.00 120.00 54 120 \w 85.00 144.00 0.50 15.53 -- 107.75 77.00 150.00 118 121 \w 85.00 149.00 0.50 15.53 -- 107.75 77.00 90.00 128 122 \w 35.00 61.00 0.50 15.53 -- 107.75 -77.00 -60.00 52 123 \w 44.00 73.00 0.50 15.53 -- 107.75 -94.00 0.00 58 124 \w 82.00 107.00 0.50 15.53 -- 107.75-108.00 138.00 50 125 \w 70.00 102.00 0.50 15.53 -- 107.75 -94.00 90.00 64 126 \w 75.00 112.00 0.50 15.53 -- 107.75-125.00 120.00 74 127 \w 75.00 101.00 0.50 15.53 -- 107.75 -94.00 150.00 52 128 \w 56.00 112.00 0.50 15.53 -- 107.75-125.00 60.00 112 129 \w 66.00 112.00 0.50 15.53 -- 107.75-125.00 -60.00 92 130 \w 82.00 107.00 0.50 15.53 -- 107.75-108.00-115.12 50 131 \w 79.00 105.00 0.50 15.53 -- 107.75-104.00-165.80 52 132 \w 37.00 63.00 0.50 15.53 -- 107.75-104.00-165.80 52 133 \w 36.00 72.00 0.50 15.53 -- 107.75-108.00-115.12 72 134 \w 36.00 94.00 0.50 15.53 -- 107.75 -77.00 -90.00 116 135 \w 38.00 105.00 0.50 15.53 -- 107.75 -77.00-180.00 134 136 \w 35.00 107.00 0.50 15.53 -- 107.75-107.00 -85.76 144 137 \w 35.00 62.00 0.50 15.53 -- 107.75 -94.00 90.00 54 138 \w 35.00 110.00 0.50 15.53 -- 107.75-125.00 90.00 150 139 \w 38.00 69.00 0.50 15.53 -- 107.75 -61.00 60.00 62 140 \w 35.00 88.00 0.50 15.53 -- 107.75-125.00 -30.00 106 141 \w 35.00 111.00 0.50 15.53 -- 107.75-125.00 0.00 152 142 \w 37.00 63.00 0.50 15.53 -- 107.75-125.00 120.00 52 143 \w 35.00 61.00 0.50 15.53 -- 107.75 -94.00 150.00 52 144 \w 35.00 111.00 0.50 15.53 -- 107.75-125.00-180.00 152 145 \w 35.00 106.00 0.50 15.53 -- 107.75 -94.00-180.00 142 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Dualflex, HyPix' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0648356000 _diffrn_orient_matrix_UB_12 0.0007089000 _diffrn_orient_matrix_UB_13 0.0842592000 _diffrn_orient_matrix_UB_21 0.1058403000 _diffrn_orient_matrix_UB_22 -0.0759320000 _diffrn_orient_matrix_UB_23 0.0111733000 _diffrn_orient_matrix_UB_31 0.0363782000 _diffrn_orient_matrix_UB_32 0.0759930000 _diffrn_orient_matrix_UB_33 0.0202911000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0901 _diffrn_reflns_av_unetI/netI 0.0359 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 124255 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 67.079 _diffrn_reflns_theta_max 67.079 _diffrn_reflns_theta_min 2.506 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'PhotonJet (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 1.411 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.646 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'dark violet' _exptl_crystal_colour_modifier dark _exptl_crystal_colour_primary violet _exptl_crystal_density_diffrn 1.207 _exptl_crystal_description plate _exptl_crystal_F_000 1337 _exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: Tetrahydrofuran' _exptl_crystal_size_max 0.194 _exptl_crystal_size_mid 0.077 _exptl_crystal_size_min 0.02 _refine_diff_density_max 0.759 _refine_diff_density_min -0.356 _refine_diff_density_rms 0.057 _refine_ls_extinction_coef 0.0018(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2017/1 (Sheldrick 2017)' _refine_ls_goodness_of_fit_ref 1.057 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 1119 _refine_ls_number_reflns 12277 _refine_ls_number_restraints 793 _refine_ls_restrained_S_all 1.056 _refine_ls_R_factor_all 0.1319 _refine_ls_R_factor_gt 0.0917 _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^)+(0.1500P)^2^+2.3136P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2569 _refine_ls_wR_factor_ref 0.2932 _reflns_Friedel_coverage 0.000 _reflns_number_gt 7417 _reflns_number_total 12277 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1sc02409d2.cif _cod_data_source_block cmpd_2K1_2K2 _cod_original_formula_sum 'C76 H92 B K1.50 N O10' _cod_database_code 1564260 _shelx_shelxl_version_number 2017/1 _chemical_oxdiff_usercomment JoKr018_XiJi _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 0.972 _shelx_estimated_absorpt_t_min 0.771 _diffrn_oxdiff_digest_frames ; 016ca3118f2de481c285e180fd09c5817611530f10b ; _diffrn_oxdiff_digest_hkl ; 01f437d8b956cd7302a7bc4fcc3485b1cd99c8 ; _reflns_odcompleteness_completeness 99.95 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 66.97 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2. Uiso/Uaniso restraints and constraints C1_4 \\sim O2_4 \\sim C2_4 \\sim O3_4 \\sim C3_4 \\sim O4_4 \\sim C4_4 \\sim O5_4 \\sim C5_4 \\sim O6_4 \\sim C7_4 \\sim C8_4 \\sim C9_4 \\sim C10_4 \\sim C11_4 \\sim C12_4 \\sim C6_4 \\sim O1_4: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 O1_8 \\sim O2_8 \\sim O3_8 \\sim O4_8 \\sim O5_8 \\sim O6_8 \\sim C1_8 \\sim C2_8 \\sim C3_8 \\sim C4_8 \\sim C5_8 \\sim C6_8 \\sim C7_8 \\sim C8_8 \\sim C9_8 \\sim C10_8 \\sim C11_8 \\sim C12_8: within 2A with sigma of 0.03 and sigma for terminal atoms of 0.06 O1_5 \\sim C2_5 \\sim C3_5 \\sim C4_5 \\sim C5_5 \\sim O1_15 \\sim C2_15 \\sim C4_15 \\sim C3_15 \\sim C5_15: within 2A with sigma of 0.003 and sigma for terminal atoms of 0.006 Uanis(C7_1) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.008 Uanis(C5_8) \\sim Ueq, Uanis(C11_8) \\sim Ueq: with sigma of 0.003 and sigma for terminal atoms of 0.006 Uanis(C1_6) \\sim Ueq, Uanis(C2_6) \\sim Ueq, Uanis(C3_6) \\sim Ueq, Uanis(C4_6) \\sim Ueq, Uanis(C5_6) \\sim Ueq, Uanis(C6_6) \\sim Ueq, Uanis(C7_6) \\sim Ueq, Uanis(C8_6) \\sim Ueq, Uanis(C9_6) \\sim Ueq, Uanis(C1_16) \\sim Ueq, Uanis(C2_16) \\sim Ueq, Uanis(C3_16) \\sim Ueq, Uanis(C4_16) \\sim Ueq, Uanis(C5_16) \\sim Ueq, Uanis(C6_16) \\sim Ueq, Uanis(C7_16) \\sim Ueq, Uanis(C8_16) \\sim Ueq, Uanis(C9_16) \\sim Ueq: with sigma of 0.003 and sigma for terminal atoms of 0.006 Uanis(C1_7) \\sim Ueq, Uanis(C2_7) \\sim Ueq, Uanis(C3_7) \\sim Ueq, Uanis(C4_7) \\sim Ueq, Uanis(C5_7) \\sim Ueq, Uanis(C6_7) \\sim Ueq, Uanis(C7_7) \\sim Ueq, Uanis(C8_7) \\sim Ueq, Uanis(C9_7) \\sim Ueq, Uanis(C1_17) \\sim Ueq, Uanis(C2_17) \\sim Ueq, Uanis(C3_17) \\sim Ueq, Uanis(C4_17) \\sim Ueq, Uanis(C5_17) \\sim Ueq, Uanis(C6_17) \\sim Ueq, Uanis(C7_17) \\sim Ueq, Uanis(C8_17) \\sim Ueq, Uanis(C9_17) \\sim Ueq: with sigma of 0.003 and sigma for terminal atoms of 0.006 Uanis(B1A) \\sim Ueq: with sigma of 0.003 and sigma for terminal atoms of 0.006 Uanis(B1A) = Uanis(B1B) 3. Rigid body (RIGU) restrains C1_4, O2_4, C2_4, O3_4, C3_4, O4_4, C4_4, O5_4, C5_4, O6_4, C7_4, C8_4, C9_4, C10_4, C11_4, C12_4, C6_4, O1_4 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001 4. Same fragment restrains {O1_15, C2_15, C3_15, C4_15, C5_15} as {O1_5, C2_5, C3_5, C4_5, C5_5} sigma for 1-2: 0.02 1-3: 0.04 {C1_6, C2_6, C3_6, C4_6, C5_6, C6_6, C7_6, C8_6, C9_6} {C1_6, C2_6, C3_6, C4_6, C5_6, C6_6, C7_6, C8_6, C9_6} {C1_6, C2_6, C3_6, C4_6, C5_6, C6_6, C7_6, C8_6, C9_6} as {C1_6, C2_6, C3_6, C4_6, C5_6, C6_6, C7_6, C8_6, C9_6} sigma for 1-2: 0.02 1-3: 0.04 5. Others Sof(O1)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(C3)=Sof(H3A)= Sof(H3B)=Sof(C5)=Sof(H5A)=Sof(H5B)=1-FVAR(1) Sof(O1)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(C4)=Sof(H4A)= Sof(H4B)=Sof(C5)=Sof(H5A)=Sof(H5B)=FVAR(1) Sof(B1B)=Sof(C1)=Sof(C2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(C5)=Sof(H5)=Sof(C6)= Sof(C7)=Sof(H7A)=Sof(H7B)=Sof(H7C)=Sof(C8)=Sof(H8A)=Sof(H8B)=Sof(H8C)=Sof(C9)= Sof(H9A)=Sof(H9B)=Sof(H9C)=Sof(C1)=Sof(C2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(C5)= Sof(H5)=Sof(C6)=Sof(C7)=Sof(H7A)=Sof(H7B)=Sof(H7C)=Sof(C8)=Sof(H8A)=Sof(H8B)= Sof(H8C)=Sof(C9)=Sof(H9A)=Sof(H9B)=Sof(H9C)=1-FVAR(2) Sof(B1A)=Sof(C1)=Sof(C2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(C5)=Sof(H5)=Sof(C6)= Sof(C7)=Sof(H7A)=Sof(H7B)=Sof(H7C)=Sof(C8)=Sof(H8A)=Sof(H8B)=Sof(H8C)=Sof(C9)= Sof(H9A)=Sof(H9B)=Sof(H9C)=Sof(C1)=Sof(C2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(C5)= Sof(H5)=Sof(C6)=Sof(C7)=Sof(H7A)=Sof(H7B)=Sof(H7C)=Sof(C8)=Sof(H8A)=Sof(H8B)= Sof(H8C)=Sof(C9)=Sof(H9A)=Sof(H9B)=Sof(H9C)=FVAR(2) Fixed Sof: K1(0.5) O1(0.5) O2(0.5) O3(0.5) O4(0.5) O5(0.5) O6(0.5) C1(0.5) H1A(0.5) H1B(0.5) C2(0.5) H2A(0.5) H2B(0.5) C3(0.5) H3A(0.5) H3B(0.5) C4(0.5) H4A(0.5) H4B(0.5) C5(0.5) H5A(0.5) H5B(0.5) C6(0.5) H6A(0.5) H6B(0.5) C7(0.5) H7A(0.5) H7B(0.5) C8(0.5) H8A(0.5) H8B(0.5) C9(0.5) H9A(0.5) H9B(0.5) C10(0.5) H10A(0.5) H10B(0.5) C11(0.5) H11A(0.5) H11B(0.5) C12(0.5) H12A(0.5) H12B(0.5) 6.a Ternary CH refined with riding coordinates: C16(H16) 6.b Secondary CH2 refined with riding coordinates: C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C6(H6A,H6B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A, H11B), C12(H12A,H12B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C2(H2A,H2B), C4(H4A,H4B), C3(H3A,H3B), C5(H5A,H5B) 6.c Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C5(H5), C6(H6), C2(H2), C3(H3), C5(H5), C6(H6), C2(H2), C5(H5), C6(H6), C7(H7), C8(H8), C11(H11), C12(H12), C15(H15), C19(H19), C21(H21), C22(H22), C3(H3), C5(H5), C3(H3), C5(H5), C3(H3), C5(H5), C3(H3), C5(H5) 6.d Idealised Me refined as rotating group: C7(H7A,H7B,H7C), C7(H7A,H7B,H7C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A, H9B,H9C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B, H9C) ; _shelx_res_file ; TITL JoKr018_v2_abs_a.res in P-1 jokr018_v2_abs_a.res created by SHELXL-2017/1 at 17:15:42 on 25-Mar-2020 REM Old TITL JoKr018_v2_abs in P-1 REM SHELXT solution in P-1 REM R1 0.251, Rweak 0.055, Alpha 0.078, Orientation as input REM Formula found by SHELXT: C72 B2 N18 O K REM ------------------------------------------------------------------- REM ##### REM ------------------------------------------ CELL 1.54184 13.5466 15.538 18.5839 87.406 72.123 67.804 ZERR 2 0.0005 0.0006 0.0006 0.003 0.003 0.003 LATT 1 SFAC C H B N O K UNIT 152 184 2 2 20 3 SIMU_4 0.01 0.02 2 C1 > O1 SIMU_8 0.03 0.06 2 O1 > C12 SIMU 0.003 0.006 2 O1_5 > C5_5 O1_15 > C5_15 RIGU_4 0.001 0.001 C1 > O1 ISOR_1 0.004 0.008 C7 ISOR_8 0.003 0.006 C5 C11 ISOR 0.003 0.006 C1_6 > C9_6 C1_16 > C9_16 ISOR 0.003 0.006 C1_7 > C9_7 C1_17 > C9_17 ISOR 0.003 0.006 B1A EADP B1A B1B SAME_THF 0.02 0.04 O1 C2 C3 C4 C5 SAME_Mes 0.02 0.04 C1_6 > C9_6 L.S. 10 PLAN 20 SIZE 0.02 0.077 0.194 TEMP -173(2) LIST 4 CONF BOND $H fmap 2 acta REM REM REM WGHT 0.150000 2.313600 EXTI 0.001817 FVAR 0.43068 0.66035 0.55917 PART 1 B1A 3 0.667068 0.193119 0.197446 31.00000 0.05902 0.06111 = 0.06087 0.00395 -0.02136 -0.02077 PART 0 PART 2 B1B 3 0.671324 0.176034 0.182506 -31.00000 0.05902 0.06111 = 0.06087 0.00395 -0.02136 -0.02077 RESI TOL 1 PART 0 C1 1 -0.097135 0.651782 0.425544 11.00000 0.08966 0.06753 = 0.05388 -0.01089 0.00106 -0.01954 C2 1 -0.124216 0.746223 0.424778 11.00000 0.13863 0.06641 = 0.07242 -0.00246 -0.02170 -0.02837 AFIX 43 H2 2 -0.066993 0.770662 0.410509 11.00000 -1.20000 AFIX 0 C3 1 -0.241870 0.808263 0.446150 11.00000 0.13603 0.06596 = 0.07991 -0.00797 -0.03798 -0.00750 AFIX 43 H3 2 -0.261526 0.873816 0.447139 11.00000 -1.20000 AFIX 0 C4 1 -0.324856 0.773479 0.464897 11.00000 0.11034 0.11846 = 0.07102 -0.01299 -0.01750 -0.02671 C5 1 -0.296111 0.680658 0.466511 11.00000 0.08306 0.12535 = 0.07135 -0.01866 -0.00340 -0.02241 AFIX 43 H5 2 -0.353244 0.656118 0.480679 11.00000 -1.20000 AFIX 0 C6 1 -0.183962 0.619966 0.447747 11.00000 0.08617 0.08666 = 0.07116 -0.01395 0.00354 -0.01986 AFIX 43 H6 2 -0.166495 0.554883 0.450244 11.00000 -1.20000 AFIX 0 C7 1 -0.447258 0.841096 0.484829 11.00000 0.11799 0.15345 = 0.09936 -0.01492 -0.04038 0.00115 AFIX 137 H7A 2 -0.480902 0.828668 0.448750 11.00000 -1.50000 H7B 2 -0.450775 0.905282 0.482237 11.00000 -1.50000 H7C 2 -0.488641 0.832729 0.536288 11.00000 -1.50000 AFIX 0 RESI TOL 2 C1 1 0.099144 0.598208 0.426646 11.00000 0.09589 0.07146 = 0.05155 -0.00378 -0.01033 -0.03401 C2 1 0.206495 0.581464 0.379460 11.00000 0.10667 0.13444 = 0.05361 -0.01329 -0.00687 -0.06129 AFIX 43 H2 2 0.225967 0.561392 0.327664 11.00000 -1.20000 AFIX 0 C3 1 0.285847 0.592858 0.404909 11.00000 0.09960 0.14299 = 0.06262 -0.00775 -0.01756 -0.05592 AFIX 43 H3 2 0.359113 0.579136 0.370479 11.00000 -1.20000 AFIX 0 C4 1 0.262929 0.623464 0.478557 11.00000 0.11603 0.08727 = 0.06523 0.00065 -0.03292 -0.03397 C5 1 0.156291 0.640873 0.525767 11.00000 0.11853 0.08939 = 0.05837 -0.00529 -0.02912 -0.02084 AFIX 43 H5 2 0.137439 0.662282 0.577149 11.00000 -1.20000 AFIX 0 C6 1 0.074792 0.628661 0.501945 11.00000 0.11011 0.07607 = 0.05936 -0.00478 -0.00910 -0.02622 AFIX 43 H6 2 0.002182 0.641022 0.536889 11.00000 -1.20000 AFIX 0 C7 1 0.352821 0.635639 0.504632 11.00000 0.14196 0.11441 = 0.08377 -0.00012 -0.05457 -0.04324 AFIX 137 H7A 2 0.402591 0.574835 0.514550 11.00000 -1.50000 H7B 2 0.317385 0.677387 0.551191 11.00000 -1.50000 H7C 2 0.396598 0.662566 0.465011 11.00000 -1.50000 AFIX 0 RESI MAIN 3 N1 4 0.017351 0.585041 0.401901 11.00000 0.08130 0.06978 = 0.05976 -0.01678 0.00193 -0.02466 C2 1 0.001745 0.553559 0.278444 11.00000 0.06222 0.05545 = 0.06144 -0.00654 -0.00186 -0.01495 AFIX 43 H2 2 -0.056003 0.613723 0.284186 11.00000 -1.20000 AFIX 0 C3 1 0.034895 0.494756 0.212385 11.00000 0.04934 0.05577 = 0.06223 -0.00351 -0.00480 -0.01202 C4 1 0.125262 0.406305 0.200337 11.00000 0.04816 0.05601 = 0.05392 -0.00320 -0.00806 -0.01077 C5 1 0.170807 0.378447 0.261427 11.00000 0.06086 0.05812 = 0.05337 -0.00427 -0.01009 -0.01049 AFIX 43 H5 2 0.228554 0.318532 0.256980 11.00000 -1.20000 AFIX 0 C6 1 0.133824 0.435398 0.326148 11.00000 0.07218 0.07036 = 0.05188 -0.00347 -0.01197 -0.02045 AFIX 43 H6 2 0.164580 0.413569 0.366172 11.00000 -1.20000 AFIX 0 C7 1 -0.022243 0.521085 0.156927 11.00000 0.04893 0.06403 = 0.06757 0.00157 -0.00910 -0.00931 AFIX 43 H7 2 -0.079003 0.581629 0.161891 11.00000 -1.20000 AFIX 0 C8 1 0.003158 0.461612 0.098166 11.00000 0.04328 0.07477 = 0.06971 0.00332 -0.01341 -0.01360 AFIX 43 H8 2 -0.039111 0.480020 0.063777 11.00000 -1.20000 AFIX 0 C9 1 0.091719 0.371142 0.085062 11.00000 0.04405 0.06535 = 0.06005 -0.00378 -0.00975 -0.01292 C10 1 0.161292 0.347829 0.132348 11.00000 0.04443 0.05795 = 0.05281 -0.00526 -0.00875 -0.01310 C11 1 0.106273 0.303464 0.029063 11.00000 0.06008 0.08210 = 0.06898 -0.01020 -0.02458 -0.01969 AFIX 43 H11 2 0.070386 0.321719 -0.008891 11.00000 -1.20000 AFIX 0 C12 1 0.173188 0.211135 0.030785 11.00000 0.06320 0.07386 = 0.07532 -0.01383 -0.02135 -0.02200 AFIX 43 H12 2 0.165599 0.163475 0.005297 11.00000 -1.20000 AFIX 0 C13 1 0.252535 0.187345 0.070111 11.00000 0.05110 0.06173 = 0.06020 -0.01226 -0.00989 -0.01794 C14 1 0.260108 0.259329 0.111473 11.00000 0.04533 0.05605 = 0.05386 -0.00685 -0.00892 -0.00884 C15 1 0.335266 0.094996 0.063113 11.00000 0.06196 0.05898 = 0.07022 -0.00962 -0.01200 -0.01867 AFIX 43 H15 2 0.328024 0.045605 0.039631 11.00000 -1.20000 AFIX 0 C16 1 0.424157 0.076156 0.089292 11.00000 0.05601 0.05667 = 0.07340 -0.00760 -0.00587 -0.00940 AFIX 13 H16 2 0.494506 0.031531 0.052504 11.00000 -1.20000 AFIX 0 C17 1 0.445094 0.149202 0.118488 11.00000 0.05233 0.05252 = 0.06083 -0.00283 -0.01151 -0.00980 C18 1 0.361587 0.242565 0.126794 11.00000 0.04672 0.05264 = 0.05522 -0.00598 -0.01217 -0.01122 C19 1 0.542234 0.132030 0.137542 11.00000 0.05444 0.05928 = 0.07483 0.00752 -0.01980 -0.01068 AFIX 43 H19 2 0.593165 0.069133 0.133603 11.00000 -1.20000 AFIX 0 C20 1 0.570224 0.202513 0.162526 11.00000 0.05341 0.06401 = 0.07202 0.01054 -0.02022 -0.01564 C21 1 0.491610 0.295464 0.160114 11.00000 0.05450 0.05970 = 0.07012 -0.00093 -0.02119 -0.01423 AFIX 43 H21 2 0.509606 0.346433 0.169591 11.00000 -1.20000 AFIX 0 C22 1 0.393777 0.314916 0.145224 11.00000 0.05220 0.05059 = 0.06630 -0.00332 -0.01945 -0.00873 AFIX 43 H22 2 0.345077 0.378198 0.147022 11.00000 -1.20000 AFIX 0 C1 1 0.050776 0.525979 0.334349 11.00000 0.07053 0.06113 = 0.05360 -0.01122 0.00158 -0.02170 RESI CRO 4 K1 6 0.333529 -0.024299 0.225050 11.00000 0.08188 0.10083 = 0.09176 -0.00910 -0.01019 -0.03771 C1 1 0.581102 -0.087131 0.284272 11.00000 0.11226 0.15470 = 0.14137 0.06439 -0.04621 -0.07113 AFIX 23 H1A 2 0.663042 -0.106468 0.273627 11.00000 -1.20000 H1B 2 0.554338 -0.124051 0.324883 11.00000 -1.20000 AFIX 0 O2 5 0.407810 0.040029 0.329076 11.00000 0.12497 0.14002 = 0.09421 0.03630 -0.03914 -0.07965 C2 1 0.524135 0.012987 0.309953 11.00000 0.12573 0.16364 = 0.11164 0.05465 -0.04755 -0.08512 AFIX 23 H2A 2 0.543572 0.025140 0.354623 11.00000 -1.20000 H2B 2 0.549912 0.050035 0.269063 11.00000 -1.20000 AFIX 0 O3 5 0.198230 0.143653 0.306505 11.00000 0.11331 0.11571 = 0.07639 -0.01144 0.00234 -0.04477 C3 1 0.350816 0.139458 0.342016 11.00000 0.15729 0.13649 = 0.07445 0.01673 -0.02817 -0.08217 AFIX 23 H3A 2 0.373137 0.168881 0.294642 11.00000 -1.20000 H3B 2 0.372302 0.162806 0.381190 11.00000 -1.20000 AFIX 0 O4 5 0.107049 0.047478 0.236479 11.00000 0.08483 0.14768 = 0.11087 -0.00853 -0.00109 -0.05031 C4 1 0.227783 0.164753 0.367390 11.00000 0.15471 0.12536 = 0.07423 0.00069 -0.00994 -0.06861 AFIX 23 H4A 2 0.206172 0.129134 0.410810 11.00000 -1.20000 H4B 2 0.188263 0.232102 0.383804 11.00000 -1.20000 AFIX 0 O5 5 0.264797 -0.096848 0.123944 11.00000 0.11162 0.08950 = 0.12249 0.00483 -0.02633 -0.04833 C5 1 0.080821 0.170316 0.322533 11.00000 0.10687 0.14487 = 0.10915 -0.02652 0.01128 -0.03698 AFIX 23 H5A 2 0.042755 0.238879 0.332767 11.00000 -1.20000 H5B 2 0.050975 0.141263 0.368201 11.00000 -1.20000 AFIX 0 O6 5 0.480453 -0.194206 0.133800 11.00000 0.12110 0.07787 = 0.11259 0.01867 -0.02039 -0.03588 C7 1 0.083042 0.016156 0.173651 11.00000 0.08147 0.14555 = 0.12011 -0.00165 -0.01603 -0.04890 AFIX 23 H7A 2 0.002802 0.025243 0.189031 11.00000 -1.20000 H7B 2 0.097690 0.053828 0.130221 11.00000 -1.20000 AFIX 0 C8 1 0.152476 -0.081840 0.150716 11.00000 0.11121 0.13622 = 0.11826 0.00596 -0.02321 -0.05295 AFIX 23 H8A 2 0.139085 -0.119105 0.194638 11.00000 -1.20000 H8B 2 0.130806 -0.103051 0.110606 11.00000 -1.20000 AFIX 0 C9 1 0.337311 -0.190161 0.090228 11.00000 0.14629 0.06903 = 0.09993 0.01202 -0.03753 -0.03981 AFIX 23 H9A 2 0.319599 -0.202077 0.044700 11.00000 -1.20000 H9B 2 0.323823 -0.235933 0.126836 11.00000 -1.20000 AFIX 0 C10 1 0.454472 -0.202073 0.069002 11.00000 0.14003 0.07684 = 0.10656 0.01097 -0.01914 -0.02755 AFIX 23 H10A 2 0.502895 -0.264123 0.041645 11.00000 -1.20000 H10B 2 0.467514 -0.153863 0.035006 11.00000 -1.20000 AFIX 0 C11 1 0.596452 -0.207996 0.116886 11.00000 0.10930 0.09188 = 0.16050 0.01835 -0.01310 -0.02783 AFIX 23 H11A 2 0.613679 -0.162264 0.081525 11.00000 -1.20000 H11B 2 0.644821 -0.271413 0.092129 11.00000 -1.20000 AFIX 0 C12 1 0.618821 -0.196544 0.185778 11.00000 0.10238 0.11049 = 0.16861 0.04270 -0.02591 -0.03851 AFIX 23 H12A 2 0.597014 -0.239512 0.222373 11.00000 -1.20000 H12B 2 0.700119 -0.211933 0.174996 11.00000 -1.20000 AFIX 0 C6 1 0.058278 0.139857 0.256733 11.00000 0.08837 0.15519 = 0.11253 -0.02181 0.00896 -0.04139 AFIX 23 H6A 2 -0.023917 0.159412 0.268686 11.00000 -1.20000 H6B 2 0.084148 0.172933 0.212639 11.00000 -1.20000 AFIX 0 O1 5 0.558631 -0.105284 0.216757 11.00000 0.09567 0.11110 = 0.13477 0.04468 -0.02710 -0.04402 RESI CRO 8 PART -1 K1 6 0.496013 0.439106 0.021978 10.50000 0.04992 0.07891 = 0.06054 -0.00381 -0.01384 -0.01240 O1 5 0.270515 0.535572 0.046700 10.50000 0.05250 0.04182 = 0.05987 -0.00672 -0.01504 -0.00633 O2 5 0.404189 0.426246 -0.090791 10.50000 0.05378 0.07622 = 0.06817 0.00507 -0.01720 -0.01816 O3 5 0.630295 0.410815 -0.139804 10.50000 0.06249 0.06820 = 0.06863 -0.00907 -0.01699 -0.02235 O4 5 0.726407 0.379526 -0.029999 10.50000 0.05415 0.08600 = 0.07875 0.01825 -0.01924 -0.01842 O5 5 0.597300 0.490492 0.110039 10.50000 0.05856 0.07476 = 0.07338 0.00457 -0.02510 -0.01861 O6 5 0.394854 0.547095 0.127528 10.50000 0.04907 0.08463 = 0.05055 0.00119 -0.00906 -0.02086 C1 1 0.227149 0.542871 -0.014039 10.50000 0.04626 0.06476 = 0.06861 0.00297 -0.02212 -0.00711 AFIX 23 H1A 2 0.239612 0.593493 -0.045117 10.50000 -1.20000 H1B 2 0.145390 0.557580 0.005494 10.50000 -1.20000 AFIX 0 C2 1 0.285841 0.451836 -0.061147 10.50000 0.04561 0.07388 = 0.07375 -0.00938 -0.01719 -0.01387 AFIX 23 H2A 2 0.270095 0.402464 -0.029810 10.50000 -1.20000 H2B 2 0.255292 0.455879 -0.103781 10.50000 -1.20000 AFIX 0 C3 1 0.437279 0.472281 -0.154137 10.50000 0.06345 0.08648 = 0.06646 0.01043 -0.02594 -0.03254 AFIX 23 H3A 2 0.411391 0.539291 -0.138543 10.50000 -1.20000 H3B 2 0.400376 0.467029 -0.191258 10.50000 -1.20000 AFIX 0 C4 1 0.581990 0.428146 -0.197860 10.50000 0.06080 0.09033 = 0.05992 -0.00072 -0.01355 -0.02657 AFIX 23 H4A 2 0.606187 0.369873 -0.229574 10.50000 -1.20000 H4B 2 0.604483 0.473978 -0.230545 10.50000 -1.20000 AFIX 0 C5 1 0.729472 0.422698 -0.153126 10.50000 0.06870 0.07196 = 0.07403 0.00527 -0.01882 -0.02932 AFIX 23 H5A 2 0.726505 0.477239 -0.183339 10.50000 -1.20000 H5B 2 0.790934 0.367282 -0.184484 10.50000 -1.20000 AFIX 0 C6 1 0.757873 0.436538 -0.085829 10.50000 0.05832 0.07488 = 0.07721 0.00841 -0.01306 -0.03191 AFIX 23 H6A 2 0.839653 0.420903 -0.099577 10.50000 -1.20000 H6B 2 0.718349 0.502748 -0.065760 10.50000 -1.20000 AFIX 0 C7 1 0.767152 0.376265 0.032593 10.50000 0.06609 0.11491 = 0.08351 0.02611 -0.03790 -0.01478 AFIX 23 H7A 2 0.849394 0.359168 0.013304 10.50000 -1.20000 H7B 2 0.752794 0.326959 0.064666 10.50000 -1.20000 AFIX 0 C8 1 0.712821 0.468618 0.081205 10.50000 0.06984 0.11068 = 0.07865 0.00516 -0.02267 -0.03050 AFIX 23 H8A 2 0.744608 0.463201 0.123363 10.50000 -1.20000 H8B 2 0.727695 0.518492 0.050162 10.50000 -1.20000 AFIX 0 C9 1 0.535832 0.570271 0.167851 10.50000 0.07487 0.06642 = 0.07017 -0.00310 -0.01991 -0.02090 AFIX 23 H9A 2 0.565067 0.561037 0.211526 10.50000 -1.20000 H9B 2 0.534998 0.629990 0.146499 10.50000 -1.20000 AFIX 0 C10 1 0.439368 0.563891 0.184710 10.50000 0.06202 0.08846 = 0.06148 0.01307 -0.01796 -0.02608 AFIX 23 H10A 2 0.383442 0.622544 0.214691 10.50000 -1.20000 H10B 2 0.441010 0.513401 0.219344 10.50000 -1.20000 AFIX 0 C11 1 0.261200 0.598467 0.164302 10.50000 0.05827 0.06212 = 0.06243 0.00188 -0.01576 -0.02721 AFIX 23 H11A 2 0.231298 0.558396 0.200003 10.50000 -1.20000 H11B 2 0.242774 0.657813 0.192684 10.50000 -1.20000 AFIX 0 C12 1 0.209143 0.617408 0.100921 10.50000 0.04884 0.05087 = 0.06969 -0.01062 -0.00951 -0.00832 AFIX 23 H12A 2 0.128638 0.627406 0.120998 10.50000 -1.20000 H12B 2 0.215783 0.673703 0.076330 10.50000 -1.20000 AFIX 0 RESI THF 5 PART 0 PART 1 O1 5 0.240285 -0.114686 0.341338 21.00000 0.17687 0.22731 = 0.19252 0.08198 -0.05596 -0.12267 C2 1 0.272542 -0.129642 0.412652 21.00000 0.17724 0.22714 = 0.19286 0.08089 -0.05677 -0.12268 AFIX 23 H2A 2 0.323095 -0.195312 0.412304 21.00000 -1.20000 H2B 2 0.311911 -0.088819 0.417008 21.00000 -1.20000 AFIX 0 C3 1 0.172104 -0.107585 0.474016 21.00000 0.17669 0.22664 = 0.19204 0.07950 -0.05865 -0.12279 AFIX 23 H3A 2 0.144146 -0.041982 0.494305 21.00000 -1.20000 H3B 2 0.184902 -0.148679 0.515301 21.00000 -1.20000 AFIX 0 C4 1 0.087131 -0.122803 0.442258 21.00000 0.17556 0.22466 = 0.19135 0.07968 -0.05780 -0.12521 AFIX 23 H4A 2 0.079281 -0.182585 0.456614 21.00000 -1.20000 H4B 2 0.012555 -0.071354 0.461046 21.00000 -1.20000 AFIX 0 C5 1 0.134370 -0.124182 0.362044 21.00000 0.17678 0.22589 = 0.19220 0.08096 -0.05626 -0.12427 AFIX 23 H5A 2 0.081644 -0.072681 0.342671 21.00000 -1.20000 H5B 2 0.144272 -0.183631 0.337864 21.00000 -1.20000 AFIX 0 RESI THF 15 PART 0 PART 2 O1 5 0.330999 -0.143479 0.355344 -21.00000 0.17714 0.22787 = 0.19202 0.08010 -0.05713 -0.12240 C2 1 0.248621 -0.084451 0.426679 -21.00000 0.17741 0.22726 = 0.19252 0.08079 -0.05650 -0.12230 AFIX 23 H2A 2 0.275042 -0.105410 0.470967 -21.00000 -1.20000 H2B 2 0.237450 -0.017985 0.421636 -21.00000 -1.20000 AFIX 0 C4 1 0.168282 -0.166327 0.370301 -21.00000 0.17665 0.22612 = 0.19226 0.08082 -0.05650 -0.12380 AFIX 23 H4A 2 0.149093 -0.219815 0.391095 -21.00000 -1.20000 H4B 2 0.121803 -0.135383 0.337482 -21.00000 -1.20000 AFIX 0 C3 1 0.149122 -0.097657 0.434300 -21.00000 0.17723 0.22682 = 0.19242 0.08063 -0.05672 -0.12260 AFIX 23 H3A 2 0.089119 -0.037228 0.432562 -21.00000 -1.20000 H3B 2 0.124688 -0.122161 0.483894 -21.00000 -1.20000 AFIX 0 C5 1 0.282082 -0.195827 0.329625 -21.00000 0.17703 0.22640 = 0.19252 0.08066 -0.05599 -0.12356 AFIX 23 H5A 2 0.291427 -0.188565 0.275020 -21.00000 -1.20000 H5B 2 0.320412 -0.262677 0.335813 -21.00000 -1.20000 AFIX 0 RESI MES 6 PART 0 PART 1 C1 1 0.752154 0.091153 0.200471 31.00000 0.05410 0.05756 = 0.05817 0.00232 -0.01839 -0.01934 C2 1 0.808420 0.025439 0.137066 31.00000 0.06059 0.06495 = 0.05994 0.00403 -0.02484 -0.01894 C3 1 0.873146 -0.068921 0.142421 31.00000 0.06158 0.06392 = 0.06332 0.00625 -0.02179 -0.01942 AFIX 43 H3 2 0.910799 -0.110954 0.098166 31.00000 -1.20000 AFIX 0 C4 1 0.881745 -0.100066 0.211682 31.00000 0.06267 0.06258 = 0.06224 0.00493 -0.02166 -0.01999 C5 1 0.832784 -0.034745 0.274466 31.00000 0.06370 0.06570 = 0.06487 0.01030 -0.01919 -0.02248 AFIX 43 H5 2 0.842840 -0.054385 0.321776 31.00000 -1.20000 AFIX 0 C6 1 0.769887 0.058041 0.269306 31.00000 0.05549 0.05562 = 0.05685 0.00530 -0.02033 -0.01740 C7 1 0.812832 0.051275 0.057674 31.00000 0.07179 0.07799 = 0.07436 0.00333 -0.02500 -0.01540 AFIX 137 H7A 2 0.888225 0.048640 0.029571 31.00000 -1.50000 H7B 2 0.757805 0.114625 0.059224 31.00000 -1.50000 H7C 2 0.795347 0.007432 0.032379 31.00000 -1.50000 AFIX 0 C8 1 0.945218 -0.202460 0.220250 31.00000 0.08031 0.07204 = 0.09105 0.01505 -0.02597 -0.02181 AFIX 137 H8A 2 0.959158 -0.240161 0.174639 31.00000 -1.50000 H8B 2 0.900319 -0.222700 0.264555 31.00000 -1.50000 H8C 2 1.016986 -0.210349 0.227065 31.00000 -1.50000 AFIX 0 C9 1 0.716732 0.123514 0.341825 31.00000 0.07944 0.07278 = 0.06742 0.00290 -0.02550 -0.02080 AFIX 137 H9A 2 0.754043 0.167481 0.337694 31.00000 -1.50000 H9B 2 0.725408 0.086874 0.385419 31.00000 -1.50000 H9C 2 0.636723 0.158090 0.348777 31.00000 -1.50000 AFIX 0 RESI MES 16 PART 0 PART 2 C1 1 0.761835 0.070120 0.179127 -31.00000 0.05332 0.05655 = 0.05474 0.00196 -0.01999 -0.01947 C2 1 0.820633 0.012836 0.110186 -31.00000 0.05753 0.06099 = 0.06170 0.00431 -0.01957 -0.02071 C3 1 0.890921 -0.081088 0.109632 -31.00000 0.06446 0.06570 = 0.06621 0.00506 -0.02272 -0.02162 AFIX 43 H3 2 0.928360 -0.118744 0.062997 -31.00000 -1.20000 AFIX 0 C4 1 0.906337 -0.119439 0.175988 -31.00000 0.07179 0.07185 = 0.07444 0.00763 -0.02199 -0.02871 C5 1 0.854783 -0.064515 0.243406 -31.00000 0.06567 0.06263 = 0.06020 0.00603 -0.02182 -0.02223 AFIX 43 H5 2 0.867513 -0.089798 0.288758 -31.00000 -1.20000 AFIX 0 C6 1 0.783501 0.028753 0.244979 -31.00000 0.06343 0.06472 = 0.06527 0.00550 -0.01936 -0.02502 C7 1 0.813286 0.047304 0.035522 -31.00000 0.07242 0.06894 = 0.06731 0.00530 -0.02689 -0.01618 AFIX 137 H7A 2 0.883508 0.012237 -0.004201 -31.00000 -1.50000 H7B 2 0.800780 0.113680 0.036260 -31.00000 -1.50000 H7C 2 0.750715 0.038774 0.025168 -31.00000 -1.50000 AFIX 0 C8 1 0.981544 -0.221651 0.175674 -31.00000 0.08726 0.06992 = 0.09310 0.02171 -0.02865 -0.02546 AFIX 137 H8A 2 1.047971 -0.238823 0.130518 -31.00000 -1.50000 H8B 2 0.939876 -0.261084 0.175016 -31.00000 -1.50000 H8C 2 1.005018 -0.230598 0.221287 -31.00000 -1.50000 AFIX 0 C9 1 0.732899 0.087692 0.320789 -31.00000 0.07123 0.06852 = 0.06619 0.01231 -0.02529 -0.02269 AFIX 137 H9A 2 0.771652 0.129937 0.319843 -31.00000 -1.50000 H9B 2 0.741730 0.046654 0.361949 -31.00000 -1.50000 H9C 2 0.652919 0.124221 0.329110 -31.00000 -1.50000 AFIX 0 RESI MES 7 PART 0 PART 1 C1 1 0.676299 0.281614 0.232705 31.00000 0.05856 0.06022 = 0.05853 0.00398 -0.02205 -0.02118 C2 1 0.589341 0.344352 0.291880 31.00000 0.05690 0.05615 = 0.05523 0.00146 -0.02015 -0.01781 C3 1 0.603381 0.420998 0.318613 31.00000 0.07530 0.07300 = 0.07129 0.00587 -0.02674 -0.02517 AFIX 43 H3 2 0.542698 0.465248 0.356322 31.00000 -1.20000 AFIX 0 C4 1 0.702952 0.432663 0.291129 31.00000 0.07796 0.07615 = 0.07832 0.00376 -0.02934 -0.02880 C5 1 0.791145 0.368729 0.235932 31.00000 0.08437 0.08690 = 0.09088 0.00394 -0.02643 -0.03911 AFIX 43 H5 2 0.860610 0.376556 0.217465 31.00000 -1.20000 AFIX 0 C6 1 0.780116 0.293876 0.207227 31.00000 0.08532 0.08919 = 0.08905 0.00767 -0.02748 -0.03626 C7 1 0.481613 0.333328 0.328445 31.00000 0.07343 0.07063 = 0.07492 0.01048 -0.01789 -0.02708 AFIX 137 H7A 2 0.457956 0.348766 0.383227 31.00000 -1.50000 H7B 2 0.491249 0.268682 0.318886 31.00000 -1.50000 H7C 2 0.424299 0.375237 0.307436 31.00000 -1.50000 AFIX 0 C8 1 0.717731 0.514469 0.322309 31.00000 0.10565 0.09994 = 0.11531 0.00133 -0.04114 -0.05427 AFIX 137 H8A 2 0.788543 0.491994 0.334166 31.00000 -1.50000 H8B 2 0.655122 0.543819 0.368501 31.00000 -1.50000 H8C 2 0.719032 0.560209 0.284314 31.00000 -1.50000 AFIX 0 C9 1 0.879844 0.224387 0.144395 31.00000 0.10691 0.13017 = 0.13085 0.01795 -0.02584 -0.05556 AFIX 137 H9A 2 0.941506 0.246570 0.128829 31.00000 -1.50000 H9B 2 0.855676 0.219701 0.100643 31.00000 -1.50000 H9C 2 0.905463 0.162914 0.163949 31.00000 -1.50000 AFIX 0 RESI MES 17 PART 0 PART 2 C1 1 0.690709 0.258285 0.215042 -31.00000 0.05560 0.05625 = 0.05690 0.00463 -0.01997 -0.01925 C2 1 0.616633 0.317656 0.277612 -31.00000 0.05904 0.06095 = 0.06007 0.00400 -0.02141 -0.02318 C3 1 0.635320 0.391351 0.307152 -31.00000 0.05815 0.06267 = 0.05810 0.00439 -0.01863 -0.02126 AFIX 43 H3 2 0.579208 0.431816 0.349203 -31.00000 -1.20000 AFIX 0 C4 1 0.739230 0.404512 0.273285 -31.00000 0.05783 0.06134 = 0.05864 0.00118 -0.01744 -0.02527 C5 1 0.810465 0.348076 0.208151 -31.00000 0.07859 0.08076 = 0.08167 0.00373 -0.02215 -0.03559 AFIX 43 H5 2 0.877451 0.356910 0.181135 -31.00000 -1.20000 AFIX 0 C6 1 0.787022 0.279630 0.181463 -31.00000 0.06018 0.06553 = 0.06469 0.00515 -0.01539 -0.02765 C7 1 0.501939 0.311017 0.326913 -31.00000 0.07635 0.08405 = 0.07901 0.00684 -0.02293 -0.02909 AFIX 137 H7A 2 0.501763 0.302188 0.379496 -31.00000 -1.50000 H7B 2 0.493579 0.258054 0.306418 -31.00000 -1.50000 H7C 2 0.439424 0.368697 0.325367 -31.00000 -1.50000 AFIX 0 C8 1 0.760484 0.482402 0.303989 -31.00000 0.09227 0.09673 = 0.08869 0.00488 -0.02740 -0.04034 AFIX 137 H8A 2 0.839070 0.460033 0.302716 -31.00000 -1.50000 H8B 2 0.711341 0.502165 0.356390 -31.00000 -1.50000 H8C 2 0.744775 0.535341 0.272702 -31.00000 -1.50000 AFIX 0 C9 1 0.865934 0.228060 0.108947 -31.00000 0.07592 0.09099 = 0.08084 0.01703 -0.01930 -0.03775 AFIX 137 H9A 2 0.924387 0.253429 0.089457 -31.00000 -1.50000 H9B 2 0.825344 0.234423 0.072245 -31.00000 -1.50000 H9C 2 0.900605 0.161997 0.116863 -31.00000 -1.50000 AFIX 0 HKLF 4 REM JoKr018_v2_abs_a.res in P-1 REM R1 = 0.0917 for 7417 Fo > 4sig(Fo) and 0.1319 for all 12277 data REM 1119 parameters refined using 793 restraints END WGHT 0.1514 2.2910 REM Highest difference peak 0.759, deepest hole -0.356, 1-sigma level 0.057 Q1 1 0.5000 0.5000 0.0000 10.50000 0.05 0.76 Q2 1 0.4016 -0.1824 0.1349 11.00000 0.05 0.73 Q3 1 0.2038 -0.0391 0.1546 11.00000 0.05 0.61 Q4 1 0.2371 -0.1570 0.1222 11.00000 0.05 0.44 Q5 1 0.3194 -0.0777 0.2710 11.00000 0.05 0.40 Q6 1 0.3600 -0.2165 0.3525 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7.72 3.25 0 8 -8 17.05 3.25 0 8 -8 15.21 2.89 0 -8 8 13.52 2.54 0 -8 8 11.22 3.13 0 8 -8 17.09 2.79 0 -8 8 10.07 2.44 0 8 -8 11.02 2.98 0 8 -8 14.01 2.35 0 8 -8 16.72 2.75 0 -8 8 13.58 3.46 0 -8 8 15.04 2.39 0 -8 7 0.96 2.20 0 -8 7 -1.45 3.27 0 8 -7 1.54 1.44 0 -8 7 2.11 2.43 0 8 -7 0.06 2.78 0 8 -7 0.17 2.78 0 -8 7 3.36 2.29 0 8 -7 0.96 1.60 0 8 -7 7.29 2.45 0 -8 7 2.57 3.03 0 -8 7 2.19 2.30 0 -8 7 -0.12 3.25 0 -8 7 3.91 3.53 0 -8 7 -1.50 3.67 0 -8 6 43.76 3.06 0 8 -6 53.36 2.73 0 8 -6 43.86 3.06 0 8 -6 51.20 3.71 0 -8 6 51.06 3.71 0 -8 6 60.91 4.67 0 -8 6 52.17 4.70 0 -8 6 55.27 3.19 0 -8 6 51.37 3.26 0 -8 5 77.31 4.08 0 8 -5 80.50 3.80 0 8 -5 86.83 4.83 0 -8 5 89.56 4.88 0 -8 5 89.07 5.42 0 -8 5 73.20 5.30 0 -8 5 77.73 4.03 0 -8 4 28.29 2.44 0 8 -4 31.53 2.12 0 -8 4 34.38 3.21 0 8 -4 35.11 3.22 0 -8 4 30.53 3.07 0 -8 4 34.02 3.77 0 -8 4 30.41 3.66 0 -8 4 33.44 3.88 0 -8 4 28.19 1.94 0 -8 4 32.12 2.52 0 -8 3 141.98 6.67 0 8 -3 176.92 7.89 0 -8 3 166.46 8.05 0 -8 3 173.03 7.81 0 -8 3 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-8 28.43 2.97 0 -9 8 16.91 3.83 0 9 -8 30.68 2.11 0 -9 7 89.10 6.08 0 -9 7 81.54 5.71 0 -9 7 81.56 5.59 0 -9 7 75.35 6.01 0 -9 7 75.89 5.59 0 -9 7 76.62 5.01 0 9 -7 72.51 4.19 0 9 -7 83.93 5.10 0 9 -7 90.38 4.98 0 9 -7 86.29 5.09 0 9 -7 80.05 4.87 0 -9 7 71.66 4.30 0 -9 7 80.53 4.28 0 9 -7 76.19 4.50 0 -9 7 87.21 4.49 0 9 -7 79.41 4.35 0 9 -7 69.13 4.42 0 9 -7 81.34 4.55 0 9 -7 78.65 3.88 0 -9 6 102.13 6.46 0 -9 6 97.44 6.20 0 -9 6 110.32 6.45 0 9 -6 119.17 5.56 0 9 -6 97.83 5.38 0 9 -6 110.38 5.50 0 -9 6 98.23 5.75 0 9 -6 77.69 4.70 0 9 -6 100.20 5.68 0 -9 6 94.40 4.93 0 -9 6 99.07 4.82 0 9 -6 92.29 4.98 0 9 -6 96.36 4.85 0 9 -6 104.23 5.18 0 9 -6 94.67 4.53 0 9 -5 64.59 4.23 0 9 -5 56.06 4.07 0 -9 5 58.26 4.43 0 9 -5 60.88 4.30 0 9 -5 44.95 3.08 0 9 -5 57.60 3.51 0 9 -5 56.55 3.85 0 -9 5 58.72 4.86 0 -9 5 58.98 5.08 0 -9 5 65.07 5.27 0 9 -4 5.70 2.81 0 -9 4 3.39 1.44 0 -9 4 4.86 2.25 0 9 -4 4.59 1.76 0 -9 4 2.38 2.12 0 9 -4 2.34 2.57 0 -9 4 2.79 2.64 0 -9 4 2.22 2.51 0 -9 4 9.14 3.56 0 -9 4 5.08 3.63 0 -9 4 2.58 3.38 0 -9 3 148.74 6.10 0 -9 3 142.96 6.20 0 9 -3 147.77 6.25 0 9 -3 150.23 7.42 0 -9 3 139.34 7.38 0 -9 3 139.58 7.54 0 -9 3 131.19 7.19 0 -9 3 140.23 7.85 0 -9 3 138.73 7.69 0 -9 3 137.93 7.72 0 -9 3 137.12 7.54 0 -9 2 101.93 4.37 0 -9 2 88.07 4.20 0 9 -2 107.37 4.56 0 -9 2 100.33 4.49 0 9 -2 101.54 5.72 0 -9 2 100.02 5.41 0 -9 2 92.66 5.43 0 -9 2 89.05 5.34 0 -9 2 99.93 5.97 0 -9 2 88.27 6.04 0 -9 2 89.15 6.01 0 -9 2 95.10 5.95 0 -9 2 95.36 5.77 0 -9 1 166.49 6.89 0 -9 1 168.16 6.97 0 9 -1 157.80 7.07 0 -9 1 174.10 8.13 0 -9 1 154.16 8.00 0 -9 1 165.76 8.34 0 -9 1 172.02 8.34 0 -9 1 173.04 7.98 0 9 -1 179.69 8.35 0 -9 1 162.72 8.27 0 -9 1 167.16 8.40 0 -9 1 171.18 8.59 0 -9 0 25.75 3.05 0 -9 0 28.97 3.32 0 -9 0 26.06 2.94 0 -9 0 29.91 2.89 0 9 0 27.77 2.83 0 -9 0 32.03 3.29 0 -9 0 24.95 3.68 0 -9 0 31.56 3.48 0 -9 0 34.42 3.90 0 -9 0 22.54 3.21 0 -9 0 23.01 1.77 0 -9 -1 0.67 1.32 0 -9 -1 0.03 1.42 0 9 1 -0.04 1.70 0 9 1 2.05 2.31 0 -9 -1 -0.21 2.18 0 -9 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18.11 3.07 0 -11 8 9.11 4.17 0 -11 8 15.93 2.77 0 11 -8 19.57 2.29 0 -11 7 44.28 5.26 0 11 -7 41.48 4.11 0 -11 7 45.93 4.31 0 -11 7 37.07 4.67 0 11 -7 41.05 4.29 0 11 -7 8.23 4.17 0 11 -7 43.04 4.22 0 -11 7 23.26 2.99 0 11 -7 30.72 3.09 0 11 -7 29.68 3.68 0 11 -7 30.13 3.34 0 11 -7 40.01 3.19 0 11 -7 37.07 2.69 0 -11 7 27.83 3.02 0 -11 6 3.95 2.60 0 -11 6 8.03 4.01 0 -11 6 4.57 4.38 0 -11 6 0.68 4.67 0 11 -6 -1.28 3.79 0 11 -6 3.01 2.81 0 11 -6 2.20 3.56 0 11 -6 2.11 3.33 0 11 -6 5.78 2.96 0 -11 6 2.15 2.58 0 11 -6 5.89 2.53 0 11 -6 5.86 2.67 0 11 -6 7.62 2.62 0 11 -6 2.64 2.81 0 11 -6 4.01 2.03 0 -11 6 4.86 2.67 0 -11 5 23.16 4.68 0 -11 5 27.76 4.52 0 11 -5 27.59 3.81 0 11 -5 16.97 3.65 0 11 -5 13.67 3.39 0 11 -5 5.13 4.16 0 11 -5 5.17 3.92 0 11 -5 19.06 3.77 0 -11 5 19.02 2.79 0 -11 5 24.64 2.59 0 11 -5 13.78 2.68 0 11 -5 17.41 2.38 0 11 -5 17.93 2.83 0 11 -5 17.02 3.12 0 11 -5 20.96 2.97 0 -11 5 20.24 2.92 0 11 -5 20.23 2.34 0 -11 4 0.17 3.82 0 11 -4 5.40 3.02 0 11 -4 0.95 3.19 0 11 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11 -4 47.18 3.27 4 11 -3 3.37 3.61 4 11 -3 0.43 3.95 4 11 -3 -1.54 2.96 4 11 -3 0.57 3.74 4 11 -3 -1.67 3.28 4 11 -3 2.86 3.54 4 11 -3 -0.41 3.36 4 11 -3 -1.75 3.32 4 11 -3 -0.33 2.99 -4 -11 3 1.36 2.75 4 11 -3 1.43 2.99 -4 -11 3 2.77 1.87 4 11 -3 0.27 2.19 -4 -11 3 0.56 3.13 -4 -11 2 13.49 3.47 4 11 -2 9.99 3.30 4 11 -2 1.39 3.43 4 11 -2 8.92 2.90 4 11 -2 0.36 3.91 4 11 -2 9.09 3.35 4 11 -2 5.34 3.45 4 11 -2 8.97 3.56 4 11 -2 4.90 3.35 4 11 -2 5.68 3.84 -4 -11 2 11.56 2.76 -4 -11 2 10.99 2.77 4 11 -2 18.73 3.54 4 11 -2 10.32 2.60 4 11 -2 9.28 2.27 -4 -11 1 0.14 3.10 4 11 -1 -0.29 3.30 4 11 -1 3.06 3.24 4 11 -1 1.09 2.87 4 11 -1 1.98 3.08 4 11 -1 0.08 3.28 4 11 -1 0.14 3.83 4 11 -1 -2.60 3.50 4 11 -1 1.46 3.49 4 11 -1 1.87 3.68 4 11 -1 2.22 3.37 -4 -11 1 0.35 2.52 -4 -11 1 2.15 2.61 -4 -11 1 2.88 2.57 -4 -11 1 -0.80 2.39 4 11 -1 1.58 3.22 4 11 -1 -0.19 2.39 4 11 -1 0.88 2.38 4 11 -1 0.36 2.16 -4 -11 0 75.59 4.95 -4 -11 0 71.47 5.28 4 11 0 69.08 4.63 4 11 0 73.03 4.95 4 11 0 69.70 4.78 4 11 0 75.19 5.08 -4 -11 0 73.42 4.98 -4 -11 0 84.07 5.20 -4 -11 0 68.88 4.52 4 11 0 76.65 5.48 4 11 0 74.20 4.17 4 11 0 70.59 4.11 4 11 0 81.66 4.31 4 11 0 75.65 4.04 4 11 1 5.55 2.90 4 11 1 -2.57 2.89 4 11 1 -6.51 3.33 4 11 1 1.12 2.94 4 11 1 13.42 3.20 4 11 1 2.03 3.00 4 11 1 -4.53 3.81 4 11 1 2.08 3.26 4 11 1 -1.19 3.88 4 11 1 2.54 3.20 4 11 1 -0.07 3.52 4 11 1 0.20 3.38 -4 -11 -1 3.20 2.75 -4 -11 -1 1.26 2.53 -4 -11 -1 1.19 2.66 -4 -11 -1 1.85 1.86 4 11 1 -1.28 3.06 4 11 1 1.38 2.44 4 11 1 0.28 2.43 4 11 1 1.08 2.27 4 11 2 -1.90 2.89 4 11 2 -0.81 2.72 4 11 2 1.15 3.38 4 11 2 -2.15 2.83 4 11 2 -2.85 3.18 4 11 2 1.69 3.86 4 11 2 3.19 3.43 4 11 2 -0.77 2.83 4 11 2 2.81 4.00 4 11 2 2.84 3.46 4 11 2 3.22 3.69 4 11 2 4.72 3.74 -4 -11 -2 5.95 2.55 -4 -11 -2 5.15 2.75 -4 -11 -2 1.91 2.75 -4 -11 -2 2.35 1.79 4 11 2 3.52 2.47 4 11 2 2.60 1.90 4 11 2 3.58 2.34 4 11 3 35.20 3.84 4 11 3 21.38 3.38 4 11 3 40.22 3.60 4 11 3 13.22 4.03 4 11 3 26.34 3.93 4 11 3 21.00 4.39 4 11 3 39.24 3.35 4 11 3 37.57 4.19 4 11 3 42.37 4.10 4 11 3 23.59 4.35 4 11 3 34.20 4.27 4 11 3 27.60 4.35 4 11 3 16.47 4.46 4 11 3 13.93 3.74 4 11 3 45.57 4.16 -4 -11 -3 49.11 3.58 -4 -11 -3 48.10 3.85 4 11 3 50.31 3.90 -4 -11 -3 41.48 2.93 4 11 3 47.33 4.44 4 11 3 38.05 3.23 4 11 3 38.09 2.99 -4 -11 -3 40.81 3.49 4 11 4 21.97 4.40 4 11 4 11.77 3.66 4 11 4 26.74 3.21 4 11 4 6.90 2.82 4 11 4 14.27 3.44 4 11 4 17.05 3.78 4 11 4 20.43 3.11 4 11 4 19.25 3.04 4 11 4 26.96 4.12 4 11 4 6.58 4.00 4 11 4 21.53 4.30 4 11 4 30.97 4.00 4 11 4 15.21 4.17 4 11 4 19.89 2.82 4 11 4 11.94 3.74 -4 -11 -4 22.54 2.76 4 11 4 26.20 3.66 -4 -11 -4 23.21 3.19 4 11 4 23.06 3.28 4 11 4 25.97 3.92 4 11 4 23.22 2.93 4 11 4 20.84 2.70 4 11 4 3.18 2.51 4 11 5 13.52 3.21 4 11 5 20.99 3.50 4 11 5 2.16 3.60 4 11 5 15.88 4.67 4 11 5 16.41 3.04 4 11 5 13.27 3.79 4 11 5 18.55 3.16 4 11 5 19.26 3.98 4 11 5 31.90 4.61 4 11 5 26.24 4.05 4 11 5 17.64 4.51 4 11 5 25.61 2.93 4 11 5 20.16 4.27 4 11 5 5.96 3.81 4 11 5 12.59 4.28 4 11 5 11.52 4.83 -4 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-8 17.51 2.47 -5 -7 7 26.50 4.16 -5 -7 7 21.73 5.72 -5 -7 7 15.63 5.09 5 7 -7 45.70 3.56 -5 -7 7 26.30 4.20 -5 -7 7 33.50 3.09 -5 -7 7 21.13 3.85 5 7 -7 34.20 3.25 5 7 -7 44.92 3.11 -5 -7 7 26.93 2.81 5 7 -7 25.59 2.62 -5 -7 6 14.54 2.88 -5 -7 6 14.54 3.63 -5 -7 6 11.27 4.35 5 7 -6 21.70 3.03 5 7 -6 21.60 3.01 5 7 -6 16.32 2.57 -5 -7 6 12.90 2.32 -5 -7 6 10.06 4.50 5 7 -6 10.94 1.94 -5 -7 6 10.45 2.73 -5 -7 6 10.39 3.38 -5 -7 5 129.81 6.82 -5 -7 5 121.73 6.28 -5 -7 5 121.28 6.16 -5 -7 5 127.76 7.43 5 7 -5 117.97 5.97 -5 -7 5 123.85 5.62 -5 -7 5 120.68 5.87 5 7 -4 17.23 1.91 -5 -7 4 16.32 1.71 -5 -7 4 16.19 2.51 5 7 -4 19.26 2.84 -5 -7 4 15.71 3.65 -5 -7 4 13.91 2.31 5 7 -4 14.24 2.20 -5 -7 4 17.14 2.21 5 7 -3 79.14 3.86 -5 -7 3 75.38 4.49 -5 -7 3 80.59 3.59 -5 -7 3 72.97 4.25 -5 -7 3 82.12 5.33 5 7 -3 83.62 4.50 -5 -7 3 79.77 4.78 5 7 -3 82.81 4.92 5 7 -2 64.35 3.42 5 7 -2 62.91 3.34 -5 -7 2 72.60 4.10 -5 -7 2 67.20 3.81 -5 -7 2 72.97 4.83 5 7 -2 68.66 4.06 -5 -7 2 70.90 4.23 5 7 -2 67.35 4.57 -5 -7 2 62.30 3.48 -5 -7 2 66.36 3.08 5 7 -1 7.47 2.82 -5 -7 1 6.22 1.89 -5 -7 1 4.33 2.74 5 7 -1 6.87 2.30 -5 -7 1 5.23 2.17 5 7 -1 3.75 1.57 5 7 -1 5.22 1.81 -5 -7 1 4.88 2.19 -5 -7 1 4.88 1.67 -5 -7 1 4.51 1.78 5 7 0 483.59 19.56 -5 -7 0 443.79 19.40 5 7 0 461.73 19.83 5 7 0 482.93 18.83 5 7 0 479.12 18.78 -5 -7 -1 103.71 6.00 5 7 1 112.71 5.83 5 7 1 113.06 5.99 -5 -7 -1 105.80 5.79 5 7 1 105.81 6.13 5 7 1 126.29 5.17 -5 -7 -2 32.86 3.38 5 7 2 39.22 3.18 5 7 2 34.58 3.30 5 7 2 36.62 3.69 -5 -7 -2 33.44 3.24 5 7 2 36.40 2.57 -5 -7 -3 31.00 3.04 -5 -7 -3 30.75 3.10 5 7 3 30.88 3.11 -5 -7 -3 29.00 3.03 -5 -7 -4 193.14 8.61 -5 -7 -4 175.80 8.50 5 7 4 187.88 8.36 -5 -7 -4 172.42 8.59 5 7 4 186.28 8.58 5 7 4 180.24 8.63 -5 -7 -4 177.76 8.52 5 7 4 177.23 7.58 5 7 5 141.16 6.64 -5 -7 -5 131.99 6.97 5 7 5 138.66 6.96 -5 -7 -5 143.63 6.84 5 7 5 132.02 6.95 -5 -7 -5 140.24 6.88 5 7 5 128.73 5.87 5 7 6 6.34 2.66 5 7 6 4.78 2.13 -5 -7 -6 4.61 2.36 5 7 6 7.74 2.64 -5 -7 -7 150.70 7.10 5 7 7 142.00 7.38 5 7 7 141.65 6.90 -5 -7 -7 150.25 7.53 5 7 7 162.15 7.66 5 7 7 130.50 7.14 5 7 8 1.45 2.27 -5 -7 -8 1.33 2.01 5 7 8 1.20 2.73 5 7 8 0.49 1.87 -5 -7 -8 -1.09 1.68 -5 -7 -8 -0.52 2.80 5 7 8 0.78 2.65 5 7 9 0.67 4.44 5 7 9 9.58 3.21 -5 -7 -9 6.15 2.28 5 7 9 2.46 2.85 -5 -7 -9 3.88 3.00 5 7 9 3.66 2.78 5 7 9 1.66 2.17 -5 -7 -9 2.57 3.62 5 7 10 47.38 3.84 5 7 10 19.76 5.74 5 7 10 22.69 4.93 5 7 10 54.13 4.27 5 7 10 43.51 5.56 5 7 10 48.76 4.07 5 7 10 50.32 4.30 -5 -7 -10 46.51 4.89 5 7 10 47.09 4.36 5 7 10 46.02 3.51 5 7 10 45.96 3.29 5 7 10 44.25 3.31 5 7 10 43.62 3.67 -5 -7 -10 50.80 5.29 -5 -7 -11 0.28 4.74 -5 -7 -11 0.32 5.37 -5 -7 -11 4.69 3.37 -5 -7 -11 -0.16 4.14 5 7 11 3.04 3.04 -5 -7 -11 2.11 3.38 5 7 11 -0.34 3.16 5 7 11 1.84 2.93 5 7 11 0.15 5.68 5 7 11 -0.81 3.29 5 7 11 -1.27 5.75 5 7 11 -0.07 3.43 5 7 11 0.39 2.78 5 7 11 3.88 3.06 5 7 11 2.24 2.61 5 7 11 1.22 2.55 -5 -7 -12 -0.51 4.35 5 7 12 2.14 3.29 -5 -7 -12 0.17 3.67 5 7 12 3.27 3.44 5 7 12 4.18 3.12 5 7 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3.95 -6 6 -7 51.14 3.93 6 -6 7 63.58 6.54 -6 6 -7 56.81 4.35 6 -6 8 3.52 3.34 6 -6 8 0.18 3.52 6 -6 8 -4.88 3.86 6 -6 8 2.70 3.54 6 -6 8 1.93 2.36 -6 6 -8 3.15 2.18 -6 6 -8 2.73 2.73 -6 6 -8 3.06 1.44 6 -6 8 3.99 2.78 -6 6 -8 6.32 1.69 6 -6 8 7.13 3.04 -6 6 -8 -0.37 3.38 6 -6 8 -3.16 3.27 -6 6 -8 3.84 3.01 6 -6 8 0.72 2.97 -6 6 -8 2.39 3.15 -6 6 -8 6.93 2.84 6 -6 8 5.97 5.49 -6 6 -9 109.84 6.01 6 -6 9 90.83 5.50 -6 6 -9 98.71 4.83 6 -6 9 91.16 6.68 6 -6 9 85.26 5.13 -6 6 -9 90.60 5.38 6 -6 9 100.93 5.51 6 -6 9 96.45 5.51 -6 6 -9 96.91 5.57 -6 6 -9 94.71 5.33 -6 6 -9 101.12 5.54 6 -6 10 26.37 4.31 -6 6 -10 38.96 2.90 6 -6 10 42.02 3.48 6 -6 10 36.14 5.30 -6 6 -10 38.48 3.80 -6 6 -10 45.00 4.27 -6 6 -10 44.77 3.80 6 -6 10 40.79 3.84 6 -6 10 44.72 3.98 -6 6 -10 43.88 3.87 -6 6 -10 43.29 3.75 -6 6 -10 36.14 3.81 6 -6 10 33.03 5.70 6 -6 11 30.25 4.39 -6 6 -11 42.24 3.01 6 -6 11 41.00 3.47 6 -6 11 45.79 5.30 6 -6 11 45.48 4.12 -6 6 -11 49.19 4.27 -6 6 -11 38.34 3.82 6 -6 11 44.94 4.08 -6 6 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139.99 6.37 7 6 -4 143.38 6.58 7 6 -4 145.72 6.43 7 6 -4 134.42 6.33 -7 -6 4 135.12 6.77 -7 -6 4 150.67 8.89 -7 -6 4 157.18 9.56 -7 -6 4 150.55 7.55 -7 -6 3 79.12 6.42 -7 -6 3 71.05 4.81 7 6 -3 60.36 3.70 7 6 -3 66.68 4.20 -7 -6 3 67.58 4.36 -7 -6 2 118.31 7.56 -7 -6 2 93.13 6.84 -7 -6 2 105.35 5.85 -7 -6 2 109.06 5.45 7 6 -2 89.42 4.70 7 6 -2 103.62 5.54 -7 -6 2 98.75 5.50 -7 -6 2 93.77 4.87 -7 -6 2 96.21 4.69 7 6 -1 610.80 24.48 -7 -6 1 579.04 24.94 -7 -6 1 613.46 24.65 -7 -6 1 579.37 24.25 -7 -6 0 4.45 3.09 -7 -6 0 5.82 2.22 7 6 0 2.75 2.42 -7 -6 0 6.76 2.40 -7 -6 0 3.45 3.83 -7 -6 0 4.09 2.55 -7 -6 -1 27.94 3.30 7 6 1 25.91 3.23 -7 -6 -1 28.76 2.32 -7 -6 -1 30.81 2.67 -7 -6 -1 34.25 3.03 -7 -6 -1 25.14 3.08 -7 -6 -1 28.59 3.27 -7 -6 -1 31.52 3.97 -7 -6 -2 5.69 2.58 -7 -6 -2 4.24 1.58 -7 -6 -2 5.33 2.30 -7 -6 -2 4.94 2.25 7 6 2 6.43 2.60 -7 -6 -2 5.21 2.16 -7 -6 -2 5.64 1.85 -7 -6 -2 3.57 2.78 -7 -6 -2 4.73 1.60 -7 -6 -2 7.82 3.28 -7 -6 -3 10.43 2.80 -7 -6 -3 11.47 1.93 -7 -6 -3 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27.46 4.01 7 6 8 32.57 3.53 -7 -6 -8 25.74 3.17 7 6 8 20.73 2.38 7 6 9 1.54 2.68 7 6 9 -1.19 3.34 7 6 9 3.02 2.85 7 6 9 -0.06 3.37 -7 -6 -9 -1.86 3.34 7 6 9 0.91 2.49 -7 -6 -9 2.93 3.54 7 6 9 -0.31 2.16 -7 -6 -9 0.58 3.22 -7 -6 -9 3.28 2.63 7 6 9 -1.37 2.75 7 6 9 2.20 2.56 7 6 9 1.97 2.15 7 6 9 3.02 2.28 -7 -6 -9 -2.38 3.80 -7 -6 -10 143.61 8.15 7 6 10 149.63 7.72 -7 -6 -10 150.44 8.22 7 6 10 131.57 7.32 -7 -6 -10 117.16 7.56 -7 -6 -10 167.02 8.58 7 6 10 163.95 8.24 -7 -6 -10 159.46 8.60 7 6 10 169.91 7.51 7 6 10 167.81 7.38 7 6 10 149.97 7.51 7 6 10 155.10 7.72 7 6 10 154.55 7.24 7 6 10 178.21 7.64 7 6 10 154.89 7.12 7 6 10 152.42 6.80 7 6 10 157.66 6.89 7 6 10 134.28 6.72 -7 -6 -11 11.11 4.11 -7 -6 -11 9.10 3.35 -7 -6 -11 12.12 3.94 7 6 11 10.32 2.97 7 6 11 11.04 2.20 -7 -6 -11 11.32 3.78 7 6 11 10.07 3.26 7 6 11 16.42 3.24 7 6 11 19.13 3.71 7 6 11 7.67 3.87 7 6 11 14.70 3.19 7 6 11 16.44 3.62 -7 -6 -11 11.83 1.89 7 6 11 14.01 3.01 7 6 11 9.04 3.31 7 6 11 12.58 2.68 7 6 11 12.29 2.48 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9 11.19 2.69 8 6 9 8.17 2.83 -8 -6 -9 12.93 3.76 8 6 9 15.61 3.19 8 6 9 17.20 2.94 8 6 9 18.30 3.61 8 6 9 19.53 3.40 8 6 9 19.35 3.28 8 6 9 17.72 4.24 8 6 9 16.09 2.79 8 6 9 14.73 2.58 8 6 9 14.18 2.84 8 6 9 16.23 2.33 8 6 9 14.84 2.02 8 6 9 12.45 2.36 -8 -6 -10 6.19 3.22 -8 -6 -10 6.93 3.30 8 6 10 3.29 2.54 8 6 10 6.00 2.48 -8 -6 -10 7.64 3.70 8 6 10 9.35 3.14 8 6 10 1.20 2.83 8 6 10 7.97 3.64 8 6 10 4.12 3.20 8 6 10 -0.05 3.04 8 6 10 2.42 3.67 8 6 10 3.61 3.33 8 6 10 0.82 4.20 8 6 10 6.05 2.84 8 6 10 4.76 2.31 8 6 10 8.41 2.76 8 6 10 5.72 2.27 8 6 10 3.32 1.90 8 6 10 3.83 2.43 -8 -6 -11 112.11 6.67 8 6 11 91.81 5.73 -8 -6 -11 105.70 6.44 8 6 11 92.23 5.59 -8 -6 -11 107.74 7.08 8 6 11 108.97 6.50 8 6 11 100.33 5.91 8 6 11 106.12 5.93 8 6 11 112.31 6.15 8 6 11 100.64 5.62 8 6 11 100.08 6.11 8 6 11 97.08 5.43 8 6 11 105.60 5.02 8 6 11 96.74 5.22 8 6 11 94.53 4.73 8 6 11 97.83 5.17 -8 -6 -12 24.50 4.18 -8 -6 -12 25.48 4.37 8 6 12 26.87 3.32 8 6 12 23.22 3.88 8 6 12 37.23 4.02 8 6 12 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3 140.09 8.93 -8 -7 3 133.94 7.22 8 7 -3 138.70 6.97 -8 -7 3 136.99 7.04 8 7 -3 150.39 7.16 8 7 -3 139.85 6.68 8 7 -3 125.85 6.33 8 7 -3 132.39 6.74 -8 -7 3 127.33 6.13 8 7 -3 121.86 6.05 8 7 -3 137.55 6.05 8 7 -3 142.98 6.31 8 7 -3 135.67 6.01 8 7 -3 140.15 6.11 -8 -7 3 120.93 6.35 -8 -7 2 83.58 7.19 -8 -7 2 77.25 7.27 -8 -7 2 86.61 5.58 -8 -7 2 86.08 4.97 8 7 -2 90.82 5.17 8 7 -2 83.12 4.91 8 7 -2 94.16 5.35 -8 -7 2 79.40 5.23 -8 -7 2 76.99 4.60 8 7 -2 92.31 4.58 8 7 -2 92.66 4.56 8 7 -2 82.59 4.42 8 7 -2 89.20 4.54 -8 -7 1 1.53 6.42 -8 -7 1 2.32 2.97 -8 -7 1 -0.86 2.49 -8 -7 1 -6.93 4.85 8 7 -1 -0.48 3.04 8 7 -1 2.55 2.99 8 7 -1 9.09 3.99 8 7 -1 8.88 3.15 8 7 -1 0.33 2.49 8 7 -1 1.02 2.16 8 7 -1 -0.92 2.02 8 7 -1 -2.54 2.02 8 7 -1 3.60 2.48 -8 -7 1 0.13 2.48 8 7 0 55.57 4.07 -8 -7 0 54.01 6.18 -8 -7 0 51.37 4.32 -8 -7 0 48.61 4.01 -8 -7 0 52.63 5.56 8 7 0 52.73 4.17 8 7 1 14.21 4.05 8 7 1 29.22 2.81 -8 -7 -1 14.38 4.18 -8 -7 -1 14.34 3.13 -8 -7 -1 17.84 3.49 8 7 1 18.71 3.16 -8 -7 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3.54 8 7 7 36.98 3.68 8 7 7 44.05 4.14 8 7 7 39.60 3.72 8 7 7 40.39 3.99 8 7 7 31.14 5.05 8 7 7 45.62 3.28 8 7 7 41.63 3.44 8 7 7 40.74 3.00 8 7 7 42.77 2.75 8 7 7 41.95 3.02 -8 -7 -8 8.38 2.91 -8 -7 -8 10.52 3.14 8 7 8 8.21 2.81 -8 -7 -8 7.32 3.54 8 7 8 10.32 2.83 -8 -7 -8 6.85 3.53 8 7 8 11.84 3.04 -8 -7 -8 11.28 3.50 8 7 8 1.78 3.85 8 7 8 5.55 2.83 8 7 8 6.89 4.34 8 7 8 7.97 3.21 8 7 8 5.60 3.47 8 7 8 4.94 3.02 8 7 8 0.07 4.94 8 7 8 7.55 2.71 8 7 8 4.65 2.53 8 7 8 4.54 2.85 8 7 8 10.20 2.33 8 7 8 6.59 1.84 8 7 8 7.39 2.32 -8 -7 -9 10.30 3.18 -8 -7 -9 6.41 3.37 8 7 9 4.85 2.77 8 7 9 9.76 2.83 -8 -7 -9 9.75 3.87 8 7 9 13.31 3.23 -8 -7 -9 5.44 3.61 8 7 9 0.41 4.09 8 7 9 3.14 6.50 8 7 9 14.08 3.02 8 7 9 17.05 3.82 8 7 9 15.88 3.26 8 7 9 18.40 3.58 8 7 9 18.83 3.24 8 7 9 8.21 6.06 8 7 9 19.22 4.55 8 7 9 13.21 2.94 8 7 9 14.10 2.37 8 7 9 13.88 2.82 8 7 9 12.76 2.47 8 7 9 11.80 1.98 8 7 9 7.45 2.31 -8 -7 -10 2.79 3.35 -8 -7 -10 -1.07 3.46 8 7 10 -0.67 2.73 8 7 10 0.24 2.51 -8 -7 -10 1.39 3.73 8 7 10 1.79 2.95 8 7 10 -0.06 3.01 8 7 10 0.87 3.71 8 7 10 1.43 3.25 8 7 10 0.14 3.17 8 7 10 2.91 3.25 8 7 10 1.24 3.51 8 7 10 7.83 6.77 8 7 10 5.78 4.43 8 7 10 -2.30 2.80 8 7 10 -0.47 2.24 8 7 10 -0.10 2.86 8 7 10 -1.42 2.37 8 7 10 0.54 1.69 8 7 10 0.09 2.33 -8 -7 -11 80.14 5.97 8 7 11 73.96 5.24 -8 -7 -11 88.99 6.03 8 7 11 71.35 4.76 -8 -7 -11 79.40 6.36 8 7 11 90.89 5.96 8 7 11 86.16 5.13 8 7 11 86.30 5.58 8 7 11 82.06 5.11 8 7 11 90.73 5.16 8 7 11 89.37 5.42 8 7 11 41.08 5.93 8 7 11 86.22 4.87 8 7 11 86.75 4.37 8 7 11 79.46 4.63 8 7 11 64.01 4.15 -8 -7 -12 60.52 5.50 8 7 12 48.92 4.51 -8 -7 -12 66.34 5.89 8 7 12 50.35 5.09 8 7 12 58.33 4.71 8 7 12 69.17 5.25 8 7 12 57.76 4.69 8 7 12 56.33 4.87 8 7 12 53.54 4.44 8 7 12 61.28 4.45 8 7 12 62.03 3.90 8 7 12 73.19 4.23 8 7 12 50.91 3.72 -8 -7 -13 108.78 7.02 8 7 13 96.77 6.04 -8 -7 -13 105.27 6.91 8 7 13 114.12 6.88 8 7 13 92.82 5.54 8 7 13 94.21 5.79 8 7 13 93.86 6.37 8 7 13 93.21 5.51 8 7 13 100.11 4.99 8 7 13 88.06 5.07 8 7 13 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4.90 3.15 -8 -8 6 69.89 6.00 -8 -8 6 79.70 8.26 -8 -8 6 59.69 6.80 8 8 -6 80.38 4.91 8 8 -6 57.90 4.42 8 8 -6 65.27 4.59 8 8 -6 71.68 4.52 8 8 -6 71.32 4.37 8 8 -6 57.92 4.08 -8 -8 6 65.55 4.93 8 8 -6 62.40 4.05 -8 -8 5 51.03 7.08 -8 -8 5 41.19 4.90 -8 -8 5 38.32 4.25 -8 -8 5 48.41 7.36 -8 -8 5 34.88 3.50 -8 -8 5 46.65 4.14 8 8 -5 47.83 4.28 8 8 -5 46.85 3.89 8 8 -5 42.46 3.71 8 8 -5 34.50 3.97 8 8 -5 46.05 3.71 8 8 -5 48.56 3.60 8 8 -5 38.34 3.25 8 8 -5 43.49 3.26 -8 -8 4 55.15 7.17 -8 -8 4 18.75 4.05 -8 -8 4 22.04 3.61 -8 -8 4 17.88 2.93 8 8 -4 17.69 2.82 -8 -8 4 16.95 3.19 8 8 -4 35.10 3.37 8 8 -4 40.28 4.04 8 8 -4 34.73 3.60 8 8 -4 35.62 3.61 8 8 -4 38.97 4.12 -8 -8 4 24.05 3.79 -8 -8 4 17.62 3.08 8 8 -4 32.81 3.12 8 8 -4 28.23 2.80 8 8 -4 31.89 3.05 8 8 -4 26.48 2.76 8 8 -4 25.17 2.80 -8 -8 3 15.70 6.00 -8 -8 3 9.26 3.10 -8 -8 3 14.80 5.73 8 8 -3 13.97 2.88 -8 -8 3 8.31 2.83 8 8 -3 32.42 4.09 8 8 -3 30.72 3.53 8 8 -3 24.34 2.96 8 8 -3 23.07 3.56 8 8 -3 19.70 3.37 -8 -8 3 10.13 3.29 -8 -8 3 6.91 2.82 8 8 -3 16.13 2.68 8 8 -3 18.44 2.60 8 8 -3 8.77 2.25 8 8 -3 17.51 2.67 8 8 -3 12.65 2.39 -8 -8 2 37.20 6.05 -8 -8 2 34.24 3.72 -8 -8 2 32.87 5.74 8 8 -2 34.02 4.34 8 8 -2 25.11 3.56 8 8 -2 23.14 3.43 8 8 -2 29.52 3.48 8 8 -2 30.44 3.26 -8 -8 2 30.94 3.53 -8 -8 2 23.12 3.38 8 8 -2 12.46 2.81 8 8 -2 34.24 2.98 8 8 -2 25.84 2.51 8 8 -2 34.30 2.71 -8 -8 1 0.77 2.81 -8 -8 1 -0.82 4.53 8 8 -1 0.17 2.83 8 8 -1 -1.70 3.07 8 8 -1 1.03 2.54 8 8 -1 -0.47 3.63 8 8 -1 2.13 2.93 -8 -8 1 3.24 3.80 8 8 -1 2.25 2.56 -8 -8 1 -2.43 2.62 8 8 -1 1.99 2.38 8 8 -1 1.28 2.27 8 8 -1 1.69 2.03 8 8 0 257.21 10.48 8 8 0 238.63 10.74 8 8 0 221.11 10.50 8 8 0 249.99 10.84 8 8 0 236.16 10.65 8 8 0 271.68 10.96 -8 -8 0 261.95 11.72 8 8 0 250.82 11.57 8 8 0 256.93 10.40 -8 -8 0 240.58 12.29 -8 -8 0 267.26 11.70 -8 -8 0 241.33 11.09 8 8 1 22.13 2.83 8 8 1 1.28 3.95 8 8 1 25.60 3.32 8 8 1 11.57 3.93 8 8 1 18.19 2.87 -8 -8 -1 13.72 3.29 8 8 1 17.23 3.11 -8 -8 -1 14.63 2.86 8 8 1 18.61 3.18 8 8 1 21.59 2.89 8 8 1 10.33 2.70 8 8 1 13.97 2.67 -8 -8 -1 25.75 4.68 -8 -8 -1 11.89 2.92 8 8 2 40.37 3.52 8 8 2 24.42 4.46 8 8 2 11.78 4.08 8 8 2 34.25 5.23 8 8 2 48.08 3.77 8 8 2 45.93 3.58 -8 -8 -2 42.50 3.88 8 8 2 48.30 4.04 -8 -8 -2 34.23 3.36 -8 -8 -2 43.17 3.78 8 8 2 43.11 3.77 8 8 2 43.02 3.46 8 8 2 36.36 3.26 -8 -8 -2 59.52 4.97 -8 -8 -2 38.65 3.90 8 8 3 39.23 3.18 8 8 3 12.46 3.96 8 8 3 21.80 2.99 8 8 3 27.89 3.24 -8 -8 -3 16.54 3.10 -8 -8 -3 15.21 2.73 8 8 3 12.86 3.10 -8 -8 -3 17.03 2.85 -8 -8 -3 14.62 2.63 8 8 3 2.54 2.67 8 8 3 20.52 2.66 8 8 3 21.87 2.30 -8 -8 -3 16.69 3.83 8 8 4 9.70 5.10 8 8 4 28.24 3.42 -8 -8 -4 30.10 2.69 -8 -8 -4 30.00 3.20 -8 -8 -4 30.57 3.42 8 8 4 35.89 3.60 -8 -8 -4 35.90 3.82 8 8 4 28.80 3.28 8 8 4 24.05 3.27 8 8 4 16.98 4.78 -8 -8 -4 30.35 3.90 -8 -8 -5 22.90 3.36 -8 -8 -5 20.12 3.69 -8 -8 -5 18.12 2.61 -8 -8 -5 25.79 3.13 -8 -8 -5 23.96 3.33 8 8 5 22.70 3.30 8 8 5 14.26 5.16 8 8 5 22.67 3.30 8 8 5 11.33 4.83 8 8 5 17.10 3.76 8 8 5 24.71 3.14 8 8 5 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8 8 10.81 3.18 8 8 8 0.88 4.86 8 8 8 4.72 4.46 8 8 8 9.28 2.82 8 8 8 11.13 2.86 8 8 8 11.34 2.50 8 8 8 10.29 2.90 8 8 8 7.63 2.53 8 8 8 10.75 1.88 8 8 9 137.84 7.05 -8 -8 -9 127.64 7.07 -8 -8 -9 110.38 7.39 8 8 9 119.72 6.68 -8 -8 -9 131.43 7.64 8 8 9 125.43 7.20 8 8 9 117.76 6.27 8 8 9 128.69 6.76 8 8 9 118.65 6.40 8 8 9 115.83 6.49 8 8 9 128.07 6.35 8 8 9 139.25 7.28 8 8 9 116.18 6.03 8 8 9 121.33 5.79 8 8 9 114.97 5.62 8 8 9 125.84 6.07 8 8 9 106.63 5.28 8 8 10 12.92 7.54 8 8 10 28.86 3.72 8 8 10 28.33 4.28 8 8 10 27.34 3.94 8 8 10 23.86 4.18 8 8 10 1.72 5.16 8 8 10 22.57 3.55 8 8 10 7.80 4.88 8 8 10 5.27 6.51 8 8 10 27.11 4.99 8 8 10 33.15 3.60 8 8 10 30.40 3.05 8 8 10 29.51 2.70 8 8 10 32.98 3.44 8 8 10 41.87 4.04 -8 -8 -10 40.03 4.66 8 8 10 38.28 3.54 -8 -8 -10 35.96 4.64 8 8 10 39.33 4.29 -8 -8 -11 10.01 4.12 8 8 11 -0.93 3.04 8 8 11 2.08 2.41 -8 -8 -11 3.44 4.18 8 8 11 -0.18 3.30 8 8 11 11.73 3.90 8 8 11 0.16 4.10 8 8 11 -3.19 3.72 8 8 11 -3.09 3.17 8 8 11 -7.01 4.62 8 8 11 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8 10 8 -1.74 2.71 8 10 8 1.00 3.54 8 10 8 2.30 3.77 8 10 8 -1.49 3.70 8 10 8 -3.83 4.43 8 10 8 -2.80 4.35 8 10 8 4.10 5.49 8 10 8 -3.49 4.87 8 10 9 57.00 4.95 8 10 9 50.71 4.32 -8 -10 -9 66.13 5.76 8 10 9 64.27 5.29 -8 -10 -10 3.70 4.06 8 10 10 2.30 3.30 -8 -10 -10 5.41 4.18 8 10 10 2.93 3.44 8 10 10 1.20 5.21 8 10 10 -0.19 6.97 8 10 10 1.29 3.58 8 10 10 0.13 3.45 8 10 10 -1.27 4.39 8 10 10 -0.70 4.79 8 10 10 -1.97 5.09 8 10 10 -1.07 3.86 8 10 10 0.44 3.20 8 10 10 6.07 3.19 8 10 10 0.90 2.86 -8 -10 -11 4.73 4.26 8 10 11 8.31 3.49 -8 -10 -11 2.69 4.34 8 10 11 8.22 3.53 8 10 11 2.72 3.70 8 10 11 -0.57 3.53 8 10 11 0.05 2.95 8 10 11 -0.28 7.54 8 10 11 -1.04 4.07 8 10 11 1.64 3.35 8 10 11 0.33 4.83 8 10 11 2.04 5.39 8 10 11 3.32 3.27 8 10 11 22.49 3.82 8 10 11 -0.06 2.91 8 10 12 5.76 3.63 8 10 12 3.35 4.39 8 10 12 5.77 5.07 8 10 12 -0.09 8.02 8 10 12 5.07 5.08 8 10 12 9.98 3.91 8 10 12 6.09 3.64 8 10 12 5.98 4.58 -8 -10 -12 11.75 4.43 8 10 12 17.74 3.79 8 10 12 13.92 3.89 8 10 12 1.87 3.55 8 10 12 9.72 3.06 8 10 13 -1.97 5.07 8 10 13 -0.23 3.70 8 10 13 3.10 3.68 8 10 13 2.24 3.08 8 10 13 2.36 4.64 -8 -10 -13 5.35 4.37 8 10 13 0.91 3.34 8 10 13 4.13 3.53 -8 -10 -13 2.19 1.78 8 10 13 0.06 3.16 8 10 13 1.50 2.83 -8 -10 -14 -3.61 3.70 8 10 14 7.71 3.75 8 10 14 5.10 4.52 8 10 14 2.27 3.72 8 10 14 -1.19 2.97 8 10 14 1.21 4.73 -8 -10 -14 3.34 3.58 -8 -10 -14 4.42 4.19 -8 -10 -14 -1.15 1.74 8 10 14 -0.40 3.15 8 10 14 -1.81 2.88 -8 -10 -15 -2.87 3.42 8 10 15 -0.08 3.39 8 10 15 2.29 4.42 8 10 15 4.11 4.43 8 10 15 -1.20 3.51 -8 -10 -15 -0.23 1.58 8 10 15 -0.36 2.94 8 10 15 2.38 2.84 -8 -10 -15 0.75 1.78 -8 -10 -16 3.90 3.24 8 10 16 5.89 3.29 8 10 16 -0.07 3.88 8 10 16 0.09 2.70 8 10 16 -0.55 2.65 8 10 17 -1.06 3.07 -8 -10 -17 -0.10 1.97 -8 -10 -17 0.03 1.59 8 10 17 0.05 2.77 8 10 17 0.30 2.42 8 10 18 -0.17 2.54 -8 -10 -18 0.83 1.30 -8 -10 -18 -0.08 1.67 -8 -10 -18 1.84 1.40 8 10 18 -0.79 2.84 8 10 18 -0.39 2.08 8 10 19 -0.23 2.13 8 10 19 0.29 2.40 -8 -10 -19 0.20 1.98 8 10 19 -1.10 1.81 8 11 -13 0.55 2.57 8 11 -13 0.71 1.70 -8 -11 13 3.78 2.31 -8 -11 13 3.38 1.45 -8 -11 13 2.31 2.21 8 11 -13 4.44 1.68 -8 -11 13 2.68 1.95 -8 -11 13 1.72 1.84 8 11 -12 -1.06 2.57 8 11 -12 0.30 3.00 8 11 -12 1.82 2.23 -8 -11 12 -1.65 2.59 -8 -11 12 0.17 2.10 -8 -11 12 -0.21 2.55 8 11 -12 -0.29 1.89 -8 -11 12 -0.38 2.31 -8 -11 12 0.11 2.08 8 11 -11 2.95 2.70 8 11 -11 2.79 3.54 8 11 -11 1.95 3.27 -8 -11 11 -4.81 2.73 -8 -11 11 -1.18 2.95 -8 -11 11 2.34 2.08 -8 -11 11 2.01 2.48 8 11 -11 6.91 2.22 -8 -11 11 -0.26 2.76 8 11 -10 1.31 2.99 8 11 -10 2.57 3.62 -8 -11 10 4.80 2.91 -8 -11 10 1.30 2.39 -8 -11 10 3.93 2.96 8 11 -10 -0.58 2.77 8 11 -10 1.51 2.34 -8 -11 10 5.06 4.43 -8 -11 9 9.59 3.36 -8 -11 9 5.48 5.37 -8 -11 9 5.31 4.52 8 11 -9 3.82 4.15 8 11 -9 3.17 3.20 -8 -11 9 3.96 3.07 -8 -11 9 2.85 2.63 -8 -11 9 4.11 3.10 8 11 -9 1.88 3.08 8 11 -9 4.96 2.53 8 11 -9 4.22 1.94 -8 -11 9 3.06 3.41 -8 -11 9 7.82 3.42 -8 -11 8 9.99 5.25 -8 -11 8 4.66 5.80 -8 -11 8 13.74 3.59 -8 -11 8 11.73 5.22 8 11 -8 6.86 4.54 8 11 -8 2.50 3.35 8 11 -8 8.48 3.21 -8 -11 8 6.34 3.29 8 11 -8 5.25 3.09 8 11 -8 6.60 2.08 -8 -11 8 0.06 3.79 -8 -11 8 1.25 3.43 8 11 -8 1.29 2.65 -8 -11 8 1.12 2.91 -8 -11 8 -1.66 3.32 -8 -11 7 5.29 6.03 -8 -11 7 8.67 4.04 -8 -11 7 1.05 3.86 -8 -11 7 8.12 3.23 8 11 -7 5.30 3.67 8 11 -7 4.68 3.51 8 11 -7 2.32 4.74 8 11 -7 2.82 3.23 8 11 -7 6.76 2.69 -8 -11 7 -0.51 4.09 8 11 -7 6.07 2.21 -8 -11 6 9.74 4.30 -8 -11 6 6.35 7.08 8 11 -6 3.46 3.60 8 11 -6 3.07 3.62 8 11 -6 -1.16 4.80 -8 -11 6 10.03 4.13 -8 -11 6 9.49 3.40 8 11 -6 6.57 3.18 8 11 -6 6.94 2.69 8 11 -6 6.83 2.23 -8 -11 5 -2.46 3.66 -8 -11 5 1.31 6.81 -8 -11 5 -1.53 6.05 8 11 -5 2.23 3.07 8 11 -5 0.06 3.34 8 11 -5 1.18 4.90 8 11 -5 -1.39 3.48 8 11 -5 -1.76 3.58 -8 -11 5 1.19 4.12 -8 -11 5 -0.28 3.50 8 11 -5 2.64 2.61 8 11 -5 1.52 2.12 8 11 -4 0.64 4.86 8 11 -4 8.11 3.66 8 11 -4 3.94 3.92 8 11 -4 1.44 3.59 8 11 -4 0.87 4.00 8 11 -4 2.35 3.02 -8 -11 4 6.39 3.57 8 11 -4 6.90 2.62 -8 -11 4 11.00 4.21 -8 -11 4 14.01 6.05 8 11 -3 -0.09 4.45 8 11 -3 1.05 3.88 8 11 -3 -3.65 3.74 8 11 -3 3.47 3.52 8 11 -3 2.30 3.87 8 11 -3 0.72 3.32 -8 -11 3 -3.36 2.91 -8 -11 3 0.18 4.73 -8 -11 3 2.97 2.89 -8 -11 3 3.34 3.29 8 11 -3 -0.24 2.48 -8 -11 3 2.14 3.72 -8 -11 3 -4.42 5.27 8 11 -2 102.21 6.05 8 11 -2 101.78 6.76 8 11 -2 98.83 6.01 8 11 -2 84.57 5.28 8 11 -2 111.43 5.93 -8 -11 2 89.72 5.92 -8 -11 2 83.16 6.90 -8 -11 2 81.98 5.86 -8 -11 2 83.56 5.09 8 11 -2 89.48 4.89 -8 -11 2 101.31 7.73 -8 -11 2 90.24 6.27 8 11 -1 60.58 4.35 8 11 -1 56.36 4.78 8 11 -1 58.33 4.67 -8 -11 1 45.78 4.34 -8 -11 1 48.80 5.51 -8 -11 1 45.56 4.54 8 11 -1 58.82 3.97 8 11 -1 52.59 3.66 -8 -11 1 55.65 6.31 -8 -11 1 53.83 4.12 8 11 0 4.57 4.62 8 11 0 22.61 3.48 8 11 0 15.33 3.72 8 11 0 17.49 3.55 8 11 0 28.32 4.61 8 11 0 12.27 4.02 8 11 0 11.15 3.71 8 11 0 18.66 4.95 8 11 0 14.68 3.83 -8 -11 0 33.68 4.39 8 11 0 30.05 3.72 -8 -11 0 33.03 3.77 8 11 0 23.49 3.27 8 11 0 25.93 2.68 -8 -11 0 28.53 3.25 8 11 1 -0.74 3.35 8 11 1 0.78 3.05 8 11 1 1.11 3.25 8 11 1 -0.08 4.38 8 11 1 0.21 3.56 8 11 1 0.83 3.40 8 11 1 -1.36 4.14 8 11 1 -5.95 4.95 8 11 1 9.42 3.83 8 11 1 1.46 3.06 8 11 1 -0.10 2.90 8 11 1 0.10 2.19 -8 -11 -1 3.08 2.58 -8 -11 -1 -1.86 3.46 -8 -11 -1 -1.21 2.81 8 11 1 1.22 2.93 -8 -11 -1 1.55 2.84 8 11 2 133.17 6.00 8 11 2 111.75 6.63 8 11 2 96.73 6.24 8 11 2 103.46 7.17 8 11 2 119.57 6.16 -8 -11 -2 95.72 6.28 -8 -11 -2 96.13 6.50 8 11 2 84.34 6.23 -8 -11 -2 110.56 6.45 8 11 2 100.24 5.47 8 11 2 100.12 5.49 -8 -11 -2 96.07 6.01 -8 -11 -3 20.08 3.11 -8 -11 -3 18.84 3.47 -8 -11 -3 24.03 3.29 8 11 3 16.84 3.30 -8 -11 -3 17.76 3.31 8 11 3 5.78 3.74 8 11 3 19.56 3.28 8 11 3 6.87 4.41 8 11 3 9.60 3.80 8 11 3 14.39 5.36 8 11 3 16.78 4.20 8 11 3 28.89 4.66 8 11 3 21.43 3.12 8 11 3 18.56 3.14 8 11 3 15.54 5.12 8 11 3 10.69 3.46 8 11 3 3.10 3.86 8 11 3 10.18 3.48 -8 -11 -4 13.40 3.03 -8 -11 -4 11.10 3.09 -8 -11 -4 12.26 3.38 -8 -11 -4 17.94 3.28 8 11 4 8.64 3.21 8 11 4 0.61 3.44 8 11 4 13.72 4.33 8 11 4 17.60 4.81 8 11 4 13.00 3.13 8 11 4 8.92 5.75 8 11 4 7.35 3.55 8 11 4 4.60 3.40 8 11 4 1.61 3.77 8 11 5 45.16 4.33 -8 -11 -5 46.25 4.12 -8 -11 -5 51.54 4.45 8 11 5 34.33 3.75 8 11 5 4.08 3.67 8 11 5 13.36 4.63 8 11 5 44.56 5.13 8 11 5 43.62 3.66 8 11 5 51.04 3.61 8 11 5 24.67 5.81 8 11 5 20.29 4.02 8 11 5 27.65 4.03 8 11 5 11.04 4.11 8 11 6 0.24 4.24 8 11 6 2.58 4.20 8 11 6 5.11 4.08 8 11 6 2.17 3.91 8 11 6 7.79 4.98 8 11 6 6.11 4.75 -8 -11 -6 9.02 2.47 8 11 6 6.64 3.15 -8 -11 -6 9.05 2.97 -8 -11 -6 9.35 3.47 8 11 6 7.35 3.42 8 11 6 4.43 3.26 8 11 6 0.05 3.14 8 11 7 0.57 4.38 8 11 7 2.92 5.92 8 11 7 1.84 3.82 8 11 7 1.99 3.42 8 11 7 2.13 3.48 8 11 7 6.41 4.44 8 11 7 2.15 4.11 8 11 7 1.34 4.21 8 11 7 8.62 5.20 8 11 7 3.61 5.18 8 11 7 2.68 4.14 -8 -11 -7 12.83 2.73 -8 -11 -7 7.64 3.58 8 11 7 11.94 3.56 8 11 7 8.56 3.49 8 11 7 8.34 3.12 8 11 8 3.14 4.82 8 11 8 21.22 6.53 8 11 8 3.05 3.22 8 11 8 3.47 3.88 8 11 8 2.39 3.72 8 11 8 8.05 3.66 8 11 8 5.81 4.25 8 11 8 6.39 4.26 8 11 8 11.31 4.46 8 11 8 11.95 4.62 8 11 8 3.55 5.66 8 11 8 17.61 5.26 -8 -11 -8 19.83 4.12 8 11 8 20.48 3.82 8 11 8 19.51 3.66 8 11 8 21.40 3.16 8 11 9 -0.17 4.89 8 11 9 3.40 6.75 8 11 9 -1.96 3.65 8 11 9 0.41 3.10 8 11 9 -0.32 3.50 8 11 9 1.56 3.29 8 11 9 -2.47 3.40 8 11 9 6.48 4.48 8 11 9 1.70 4.29 8 11 9 2.58 4.39 8 11 9 6.60 4.31 8 11 9 -0.38 4.65 8 11 9 2.90 5.86 8 11 9 2.70 5.22 -8 -11 -9 1.27 3.92 -8 -11 -9 1.61 3.99 8 11 9 1.55 3.31 8 11 9 8.94 3.58 8 11 9 0.91 3.00 8 11 10 1.26 5.19 8 11 10 20.81 7.26 8 11 10 14.22 3.97 8 11 10 6.32 3.88 8 11 10 3.52 3.53 8 11 10 14.49 3.30 8 11 10 18.99 4.46 8 11 10 20.55 3.81 8 11 10 5.18 4.43 8 11 10 15.06 4.48 8 11 10 8.64 4.80 8 11 10 19.10 5.62 -8 -11 -10 21.58 4.54 8 11 10 21.86 4.11 8 11 10 24.29 4.05 8 11 10 18.36 3.81 8 11 10 10.75 3.18 -8 -11 -11 27.65 4.78 8 11 11 25.03 4.11 8 11 11 26.32 4.31 8 11 11 14.71 4.76 8 11 11 16.06 5.78 8 11 11 22.30 3.99 8 11 11 2.19 5.89 8 11 11 23.81 3.43 8 11 11 12.75 7.81 8 11 11 9.58 3.96 8 11 11 12.56 3.81 8 11 11 6.05 3.17 8 11 11 8.09 3.03 8 11 12 -3.04 3.83 8 11 12 -0.29 3.39 8 11 12 2.71 3.45 8 11 12 -8.35 8.22 8 11 12 -4.55 5.65 8 11 12 3.71 5.37 -8 -11 -12 1.41 4.27 8 11 12 7.50 3.45 8 11 12 2.85 3.45 8 11 12 0.39 3.37 8 11 12 0.64 3.01 -8 -11 -13 0.14 3.39 8 11 13 -3.99 3.62 8 11 13 -1.12 4.86 8 11 13 -0.54 3.65 8 11 13 -2.76 3.08 -8 -11 -13 6.85 4.32 8 11 13 -0.75 3.38 8 11 13 -1.83 2.92 -8 -11 -14 15.47 3.55 8 11 14 12.41 3.59 8 11 14 7.08 5.03 8 11 14 3.62 3.46 8 11 14 6.82 4.66 8 11 14 1.75 3.17 8 11 14 7.59 3.45 8 11 14 9.07 2.91 -8 -11 -15 2.41 3.22 8 11 15 2.22 3.17 8 11 15 0.07 4.55 8 11 15 5.60 3.51 8 11 15 7.03 4.43 -8 -11 -15 2.86 1.71 8 11 15 0.22 3.07 8 11 15 3.16 3.08 8 11 15 1.75 2.78 8 11 16 0.48 2.82 8 11 16 -1.63 3.76 8 11 16 3.06 3.30 8 11 16 4.00 4.08 -8 -11 -16 2.22 1.85 -8 -11 -16 5.56 1.59 8 11 16 2.57 2.89 8 11 16 -1.50 2.61 8 11 16 2.45 2.57 8 11 17 0.30 2.53 -8 -11 -17 1.04 1.34 -8 -11 -17 -0.23 1.59 8 11 17 0.27 2.34 8 11 17 1.35 2.93 8 11 18 -0.07 2.23 8 11 18 0.44 2.54 8 11 18 1.24 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17.57 4.50 8 12 -2 26.07 3.79 -8 -12 2 18.36 4.88 -8 -12 2 21.56 3.56 -8 -12 2 25.22 3.34 8 12 -2 20.11 2.89 -8 -12 2 25.36 4.19 -8 -12 2 23.77 5.46 8 12 -1 7.25 4.32 8 12 -1 8.02 3.54 8 12 -1 7.69 3.86 8 12 -1 8.65 3.67 8 12 -1 5.84 3.68 8 12 -1 11.10 4.13 8 12 -1 8.59 4.29 8 12 -1 5.31 3.80 8 12 -1 5.43 3.63 -8 -12 1 12.59 4.41 -8 -12 1 12.43 3.13 8 12 -1 10.76 2.58 -8 -12 1 10.79 3.52 -8 -12 1 13.07 5.02 8 12 0 6.39 4.22 8 12 0 3.08 3.99 8 12 0 1.40 3.66 8 12 0 6.57 4.96 8 12 0 6.81 3.83 8 12 0 2.13 3.78 8 12 0 3.11 2.41 -8 -12 0 6.45 3.85 -8 -12 0 5.15 3.06 8 12 0 2.88 4.87 8 12 0 5.14 3.49 8 12 0 9.18 3.74 8 12 1 21.79 3.88 8 12 1 38.04 4.98 8 12 1 29.20 4.28 8 12 1 18.83 4.99 8 12 1 15.07 5.60 8 12 1 9.27 3.94 -8 -12 -1 0.32 2.79 -8 -12 -1 1.52 3.84 -8 -12 -1 3.65 2.92 8 12 2 10.47 3.91 8 12 2 10.79 4.78 8 12 2 4.80 4.10 8 12 2 21.57 4.58 8 12 2 18.11 5.46 8 12 2 12.80 4.14 8 12 2 15.35 3.21 -8 -12 -2 16.51 3.92 -8 -12 -2 15.73 3.27 -8 -12 -2 17.31 3.25 8 12 2 11.99 5.59 8 12 2 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5.97 8 12 7 22.71 5.07 8 12 7 16.56 5.18 8 12 7 56.32 6.06 8 12 7 10.14 5.51 8 12 7 68.64 4.48 8 12 7 74.55 4.16 -8 -12 -7 79.56 4.99 -8 -12 -7 73.61 5.64 -8 -12 -7 73.03 4.54 8 12 7 38.66 6.77 8 12 7 22.88 4.35 8 12 8 -0.80 3.26 8 12 8 -1.81 4.45 8 12 8 -2.08 4.49 8 12 8 0.66 5.78 8 12 8 1.77 5.15 8 12 8 0.21 4.40 8 12 8 -4.12 4.53 8 12 8 -2.73 3.47 8 12 8 4.09 2.99 8 12 8 0.96 5.02 8 12 8 1.39 6.33 8 12 8 1.86 3.48 8 12 8 2.13 3.45 8 12 8 1.36 3.27 8 12 8 -0.26 3.49 8 12 9 1.54 4.65 8 12 9 -3.88 3.51 8 12 9 2.01 4.51 8 12 9 -3.94 4.94 8 12 9 -1.09 4.78 8 12 9 0.89 5.27 8 12 9 0.60 3.53 8 12 9 -0.58 2.93 8 12 9 0.52 5.41 8 12 9 -9.62 7.01 8 12 9 2.02 3.24 8 12 9 0.96 3.46 8 12 9 -0.27 2.94 8 12 9 -0.50 3.53 -8 -12 -10 11.38 4.33 8 12 10 0.77 5.86 8 12 10 0.39 6.99 8 12 10 1.18 3.67 8 12 10 1.62 3.11 8 12 10 16.46 4.31 8 12 10 3.09 4.50 8 12 10 5.14 4.89 8 12 10 8.18 3.61 8 12 10 1.04 4.81 8 12 10 1.59 5.42 8 12 10 2.27 4.45 8 12 10 10.00 3.77 8 12 10 8.90 3.01 -8 -12 -11 4.99 4.37 8 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10 5 2 10.06 3.05 10 5 2 2.28 3.58 10 5 2 5.54 3.32 10 5 2 10.59 3.04 10 5 2 10.76 2.53 10 5 2 9.87 2.39 -10 -5 -2 8.35 2.44 10 5 2 8.87 2.20 -10 -5 -3 18.65 3.05 -10 -5 -3 16.56 3.43 -10 -5 -3 20.80 3.80 -10 -5 -3 19.70 4.52 -10 -5 -3 13.61 2.48 10 5 3 21.66 3.68 10 5 3 15.29 4.43 10 5 3 4.92 2.99 10 5 3 13.78 2.97 10 5 3 1.03 3.49 10 5 3 20.31 3.27 10 5 3 8.87 2.52 10 5 3 8.33 2.57 10 5 3 17.52 2.38 -10 -5 -3 16.32 2.43 10 5 4 72.12 5.53 10 5 4 75.97 4.75 10 5 4 78.34 4.69 -10 -5 -4 65.06 4.90 -10 -5 -4 63.96 4.85 -10 -5 -4 64.57 5.66 -10 -5 -4 65.20 6.10 -10 -5 -5 20.64 3.59 -10 -5 -5 21.95 3.92 -10 -5 -5 23.68 4.58 -10 -5 -5 19.41 2.57 -10 -5 -5 23.49 2.49 10 5 5 31.01 3.71 10 5 5 31.80 4.33 10 5 5 37.44 3.76 10 5 5 23.98 3.98 10 5 5 28.89 2.85 10 5 5 18.41 2.50 10 5 5 27.23 2.76 10 5 5 7.03 2.65 -10 -5 -6 13.24 2.84 -10 -5 -6 11.86 3.54 -10 -5 -6 8.73 3.66 -10 -5 -6 12.70 4.12 -10 -5 -6 15.02 2.25 -10 -5 -6 15.02 2.36 10 5 6 15.38 3.89 10 5 6 14.81 3.49 10 5 6 2.74 3.46 -10 -5 -6 18.52 3.83 10 5 6 18.21 3.24 10 5 6 13.92 2.40 10 5 6 12.16 2.46 10 5 6 8.15 2.69 -10 -5 -7 3.73 3.62 -10 -5 -7 1.09 2.58 -10 -5 -7 3.55 3.51 -10 -5 -7 -0.74 3.48 -10 -5 -7 0.10 2.08 -10 -5 -7 0.75 1.86 -10 -5 -7 1.60 2.09 10 5 7 5.22 2.81 10 5 7 2.58 3.61 10 5 7 0.74 3.23 10 5 7 2.13 3.54 10 5 7 0.34 3.10 -10 -5 -7 -0.18 3.34 10 5 7 -0.34 3.09 10 5 7 1.74 2.26 10 5 7 0.96 2.25 10 5 7 0.26 2.23 10 5 7 1.35 2.56 -10 -5 -8 69.19 4.95 -10 -5 -8 73.89 5.75 -10 -5 -8 77.16 6.09 10 5 8 61.72 4.42 10 5 8 44.68 4.11 10 5 8 29.87 5.13 -10 -5 -8 74.44 3.53 -10 -5 -8 81.04 3.94 -10 -5 -8 63.13 3.64 10 5 8 69.65 5.42 10 5 8 79.94 4.70 -10 -5 -8 77.04 5.85 10 5 8 61.50 3.93 10 5 8 65.24 4.47 10 5 8 65.69 4.02 10 5 8 71.64 4.04 10 5 8 66.11 4.24 -10 -5 -9 4.97 4.33 -10 -5 -9 3.00 2.98 -10 -5 -9 3.68 3.74 10 5 9 1.45 3.25 10 5 9 0.99 3.28 10 5 9 4.75 3.88 10 5 9 3.13 4.09 -10 -5 -9 0.56 2.20 -10 -5 -9 -1.11 2.21 -10 -5 -9 -0.71 1.83 10 5 9 3.79 3.25 10 5 9 3.11 2.44 10 5 9 3.72 2.46 10 5 9 3.82 3.01 10 5 9 2.03 2.40 10 5 9 6.64 2.37 10 5 9 1.08 2.47 -10 -5 -10 -0.51 3.06 -10 -5 -10 2.83 4.06 10 5 10 7.55 3.25 10 5 10 4.65 4.21 -10 -5 -10 4.47 2.14 -10 -5 -10 2.85 3.17 10 5 10 4.94 3.25 10 5 10 5.48 2.72 10 5 10 6.98 2.81 10 5 10 6.29 2.28 10 5 10 7.78 2.17 -10 -5 -10 0.90 2.54 10 5 10 5.11 2.48 -10 -5 -11 3.04 3.24 -10 -5 -11 6.69 4.13 10 5 11 11.17 3.50 10 5 11 3.45 4.26 -10 -5 -11 18.13 2.67 -10 -5 -11 8.49 1.93 -10 -5 -11 2.26 3.62 -10 -5 -11 4.10 3.50 10 5 11 7.72 3.08 10 5 11 3.14 2.78 10 5 11 6.96 2.74 10 5 11 3.61 2.07 -10 -5 -11 3.23 2.24 10 5 11 4.98 2.32 10 5 11 -0.06 2.70 -10 -5 -12 1.50 3.42 -10 -5 -12 7.55 4.37 -10 -5 -12 -3.76 3.94 -10 -5 -12 -0.38 3.46 10 5 12 1.40 2.68 10 5 12 -0.79 3.58 -10 -5 -12 -1.02 2.12 10 5 12 -1.47 2.84 10 5 12 -0.22 2.43 10 5 12 -0.58 2.29 10 5 12 -0.35 2.85 -10 -5 -13 3.52 3.60 -10 -5 -13 2.89 3.32 10 5 13 -1.81 3.61 10 5 13 -1.67 3.86 10 5 13 3.94 4.13 10 5 13 -2.15 2.85 -10 -5 -13 1.91 2.15 -10 -5 -13 1.92 2.11 10 5 13 -1.76 2.95 -10 -5 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10 5 17 1.33 2.46 10 5 18 -1.56 3.34 10 5 18 1.30 2.55 -10 -5 -18 -0.11 1.75 -10 -5 -18 0.11 1.82 -10 -5 -18 -0.34 1.97 -10 -5 -18 -0.72 1.58 -10 -5 -18 -1.27 2.18 10 5 18 -2.96 2.82 -10 -5 -18 2.11 3.27 -10 -5 -18 0.36 2.01 10 5 19 -0.90 2.20 -10 -5 -19 1.25 1.53 -10 -5 -19 0.09 1.58 -10 -5 -19 0.13 1.71 -10 -5 -19 1.08 1.94 10 5 19 -2.51 3.02 -10 -5 -19 0.38 1.83 -10 -5 -19 0.98 1.86 10 5 19 0.17 2.37 -10 -5 -20 -0.46 1.43 -10 -5 -20 1.89 1.65 10 5 20 0.14 2.08 10 5 20 1.45 2.65 -10 -5 -20 -0.26 1.60 10 6 -12 -0.26 2.75 10 6 -12 1.24 2.40 -10 -6 12 0.79 2.74 -10 -6 12 -1.35 2.24 -10 -6 12 0.41 2.15 10 6 -12 1.09 1.91 10 6 -12 2.34 1.46 -10 -6 12 1.45 1.67 10 6 -11 0.99 2.77 -10 -6 11 2.36 3.16 -10 -6 11 0.76 1.80 -10 -6 11 -0.83 2.44 10 6 -11 4.02 2.13 10 6 -11 -1.17 1.73 -10 -6 11 1.29 1.97 10 6 -10 0.93 2.99 -10 -6 10 1.41 3.54 -10 -6 10 1.43 2.19 -10 -6 10 0.26 2.54 10 6 -10 -0.30 2.32 10 6 -10 1.26 1.93 -10 -6 10 -0.81 2.31 -10 -6 9 4.49 2.82 -10 -6 9 9.74 2.72 10 6 -9 6.41 3.30 -10 -6 9 4.18 3.66 10 6 -9 10.50 2.27 -10 -6 9 5.60 2.74 10 6 -8 11.46 3.55 10 6 -8 12.90 2.83 -10 -6 8 6.78 3.08 -10 -6 8 16.57 3.01 -10 -6 8 18.23 2.75 -10 -6 8 9.33 2.32 -10 -6 8 5.04 3.16 10 6 -8 18.33 2.52 -10 -6 8 2.70 3.15 -10 -6 8 31.54 4.59 -10 -6 8 22.54 4.58 -10 -6 7 8.69 4.08 -10 -6 7 7.89 4.18 -10 -6 7 10.05 4.62 10 6 -7 15.48 3.27 -10 -6 7 7.29 3.18 -10 -6 7 6.17 2.94 -10 -6 7 10.74 2.49 -10 -6 7 4.95 2.34 10 6 -7 12.28 3.04 -10 -6 7 5.25 2.99 10 6 -7 10.82 2.53 -10 -6 6 4.45 4.12 -10 -6 6 3.18 4.14 -10 -6 6 7.72 4.74 10 6 -6 1.62 4.01 10 6 -6 5.22 3.34 10 6 -6 3.92 3.62 -10 -6 6 1.78 3.39 -10 -6 6 6.29 2.50 10 6 -6 7.84 2.53 10 6 -6 2.61 2.81 10 6 -6 3.36 2.60 -10 -6 6 -0.34 2.71 -10 -6 6 0.11 2.88 -10 -6 5 4.48 3.78 -10 -6 5 2.76 3.48 -10 -6 5 6.15 4.44 -10 -6 5 4.79 5.00 10 6 -5 2.94 3.70 -10 -6 5 1.37 3.36 10 6 -5 6.16 4.57 10 6 -5 -0.22 3.50 -10 -6 5 4.54 2.54 10 6 -5 6.60 2.51 10 6 -5 3.39 2.92 10 6 -5 3.25 2.65 10 6 -5 5.01 2.48 -10 -6 5 1.42 3.01 -10 -6 5 4.01 2.69 -10 -6 5 3.11 2.87 -10 -6 4 34.95 4.74 -10 -6 4 41.33 6.04 -10 -6 4 33.48 4.23 -10 -6 4 35.22 5.38 -10 -6 4 35.48 5.91 10 6 -4 18.79 4.67 10 6 -4 21.55 3.99 -10 -6 4 19.64 2.91 10 6 -4 29.25 3.38 10 6 -4 28.78 2.83 10 6 -4 22.27 3.09 -10 -6 4 24.84 3.19 -10 -6 4 31.95 3.47 10 6 -4 30.09 3.09 -10 -6 4 29.17 2.99 -10 -6 3 103.16 6.77 -10 -6 3 106.41 8.11 -10 -6 3 118.57 7.78 10 6 -3 100.04 7.08 10 6 -3 105.26 6.20 -10 -6 3 90.76 5.91 10 6 -3 109.86 5.56 10 6 -3 105.29 5.27 10 6 -3 99.54 5.19 -10 -6 3 100.36 5.42 10 6 -3 106.95 5.44 -10 -6 3 111.72 5.21 -10 -6 2 7.87 5.28 -10 -6 2 11.24 3.48 -10 -6 2 11.88 4.76 10 6 -2 4.89 3.28 10 6 -2 5.20 3.06 10 6 -2 10.66 4.61 10 6 -2 12.55 3.00 -10 -6 2 6.37 2.63 10 6 -2 9.27 2.68 10 6 -2 9.59 2.67 10 6 -2 15.52 2.61 10 6 -2 12.58 2.55 -10 -6 2 22.81 3.07 -10 -6 1 64.58 6.13 -10 -6 1 56.22 4.89 -10 -6 1 48.67 5.38 -10 -6 1 59.89 6.41 10 6 -1 31.22 3.78 10 6 -1 38.68 4.09 10 6 -1 45.74 5.56 10 6 -1 12.85 4.11 10 6 -1 54.74 4.48 -10 -6 1 62.30 4.27 10 6 -1 54.98 3.77 10 6 -1 47.36 3.41 10 6 -1 36.88 3.37 10 6 -1 44.80 3.51 10 6 -1 48.26 3.45 -10 -6 1 47.87 3.45 10 6 -1 53.12 3.44 -10 -6 0 25.09 4.94 -10 -6 0 26.74 4.74 -10 -6 0 23.41 3.94 -10 -6 0 23.87 3.69 -10 -6 0 26.78 5.77 10 6 0 26.55 3.47 10 6 0 44.98 5.01 10 6 0 11.23 3.96 10 6 0 26.78 3.69 -10 -6 0 14.08 3.10 10 6 0 28.57 3.25 10 6 0 27.17 2.89 10 6 0 22.53 2.72 10 6 0 26.43 2.99 10 6 0 25.18 2.83 -10 -6 0 18.26 2.73 10 6 0 25.94 2.73 -10 -6 -1 2.42 4.41 -10 -6 -1 4.52 4.04 -10 -6 -1 4.89 3.37 -10 -6 -1 3.24 3.24 -10 -6 -1 4.46 5.21 10 6 1 7.53 2.90 10 6 1 12.02 4.46 10 6 1 2.05 3.25 10 6 1 5.29 2.39 10 6 1 3.72 2.98 10 6 1 6.95 2.22 10 6 1 5.11 2.42 10 6 1 4.26 2.09 10 6 1 5.99 3.21 -10 -6 -2 57.89 5.29 -10 -6 -2 54.80 5.12 -10 -6 -2 59.13 4.85 -10 -6 -2 55.45 4.71 -10 -6 -2 46.33 5.63 10 6 2 40.84 3.71 10 6 2 47.91 3.81 10 6 2 52.43 3.38 10 6 2 46.07 3.40 10 6 2 45.63 3.21 10 6 2 54.71 4.63 -10 -6 -3 -2.49 3.69 -10 -6 -3 1.97 3.51 -10 -6 -3 -5.20 3.49 -10 -6 -3 1.63 4.54 10 6 3 -0.19 3.01 10 6 3 -0.44 2.57 10 6 3 -1.53 2.92 10 6 3 -0.15 2.41 10 6 3 -0.58 2.11 10 6 3 -0.48 2.19 10 6 3 -2.60 3.00 -10 -6 -4 0.91 2.77 -10 -6 -4 -0.35 3.11 -10 -6 -4 1.76 3.36 -10 -6 -4 2.78 4.40 10 6 4 -0.06 3.28 10 6 4 0.53 4.20 10 6 4 1.11 3.20 10 6 4 3.69 3.05 10 6 4 -0.61 3.01 10 6 4 0.16 2.30 10 6 4 1.07 2.40 10 6 4 0.50 2.09 10 6 4 -0.05 2.20 10 6 4 0.33 3.14 -10 -6 -5 53.82 4.77 10 6 5 37.79 3.41 10 6 5 36.46 4.74 10 6 5 42.98 3.96 10 6 5 42.95 4.03 10 6 5 42.97 3.10 10 6 5 43.32 3.22 -10 -6 -5 45.69 4.21 -10 -6 -5 45.86 4.72 -10 -6 -5 51.31 5.24 -10 -6 -6 -0.17 3.50 -10 -6 -6 1.59 2.36 -10 -6 -6 3.42 3.27 -10 -6 -6 1.64 3.94 -10 -6 -6 2.88 3.32 10 6 6 -1.01 2.68 10 6 6 3.18 3.79 10 6 6 1.85 3.18 10 6 6 -2.14 2.96 10 6 6 1.27 3.54 10 6 6 1.08 3.49 -10 -6 -6 1.65 2.09 10 6 6 -0.28 3.06 10 6 6 0.21 2.33 10 6 6 -0.33 2.29 10 6 6 -0.40 2.15 -10 -6 -7 152.98 7.81 -10 -6 -7 160.71 8.27 -10 -6 -7 161.05 8.97 -10 -6 -7 162.40 8.24 10 6 7 171.94 8.53 10 6 7 172.09 7.87 -10 -6 -7 184.75 8.88 10 6 7 127.93 7.01 10 6 7 126.64 7.07 10 6 7 142.65 7.54 10 6 7 134.38 6.90 -10 -6 -7 159.12 6.51 -10 -6 -7 164.68 6.63 10 6 7 128.50 6.71 10 6 7 152.18 7.13 10 6 7 131.27 6.60 10 6 7 149.58 6.79 10 6 7 154.13 6.79 -10 -6 -8 35.30 4.04 -10 -6 -8 33.38 4.61 -10 -6 -8 38.59 4.13 10 6 8 38.39 4.31 10 6 8 40.71 3.87 -10 -6 -8 41.93 4.73 10 6 8 46.39 3.97 10 6 8 42.37 4.47 10 6 8 55.38 4.32 10 6 8 37.74 3.48 10 6 8 18.92 4.57 10 6 8 51.06 3.63 -10 -6 -8 48.00 2.75 -10 -6 -8 53.22 2.96 10 6 8 47.84 3.40 10 6 8 30.61 3.83 10 6 8 39.22 3.08 10 6 8 44.83 3.22 10 6 8 42.02 3.25 -10 -6 -9 25.04 3.62 -10 -6 -9 19.95 4.36 -10 -6 -9 21.74 4.28 -10 -6 -9 23.72 3.64 10 6 9 22.74 3.66 10 6 9 20.99 3.26 10 6 9 10.50 3.24 10 6 9 2.91 3.57 10 6 9 6.05 3.97 10 6 9 8.59 2.94 -10 -6 -9 29.44 2.54 -10 -6 -9 19.25 2.10 10 6 9 13.66 2.88 10 6 9 15.55 3.04 10 6 9 16.62 2.51 10 6 9 15.93 2.33 10 6 9 18.94 2.63 10 6 9 12.35 2.84 -10 -6 -10 73.87 5.55 -10 -6 -10 82.06 6.45 -10 -6 -10 81.58 5.78 10 6 10 78.18 5.52 10 6 10 84.19 5.39 10 6 10 73.55 5.16 10 6 10 65.24 5.53 10 6 10 72.92 4.62 -10 -6 -10 74.96 3.90 10 6 10 91.44 4.57 10 6 10 73.56 4.42 10 6 10 68.97 3.97 10 6 10 80.48 4.24 -10 -6 -11 0.18 3.24 -10 -6 -11 -1.50 4.05 -10 -6 -11 -2.51 3.26 10 6 11 0.74 2.81 10 6 11 2.60 2.88 10 6 11 1.31 3.53 10 6 11 0.75 3.65 10 6 11 1.37 3.00 -10 -6 -11 0.48 1.78 10 6 11 -0.88 2.88 10 6 11 1.14 2.71 -10 -6 -11 0.23 2.17 10 6 11 -0.05 2.12 10 6 11 0.84 2.77 -10 -6 -12 14.40 3.76 -10 -6 -12 12.93 4.67 -10 -6 -12 13.70 4.12 -10 -6 -12 11.55 3.87 10 6 12 8.57 2.88 10 6 12 12.92 3.21 10 6 12 9.42 3.78 10 6 12 8.61 3.72 10 6 12 11.23 3.21 -10 -6 -12 12.51 2.46 10 6 12 10.88 3.11 10 6 12 10.12 2.58 10 6 12 11.59 2.33 10 6 12 9.69 2.98 -10 -6 -13 15.58 4.25 -10 -6 -13 17.66 3.96 10 6 13 17.70 3.40 10 6 13 13.32 3.88 10 6 13 8.47 3.70 10 6 13 5.49 4.23 10 6 13 11.14 3.29 -10 -6 -13 18.68 2.33 -10 -6 -13 10.75 2.10 10 6 13 14.11 3.15 -10 -6 -13 17.52 3.87 -10 -6 -13 14.51 4.51 10 6 13 18.47 2.29 10 6 13 3.74 2.80 -10 -6 -14 -1.69 3.68 -10 -6 -14 1.76 3.37 10 6 14 -1.52 3.48 10 6 14 -1.63 3.54 10 6 14 -0.56 3.97 10 6 14 1.09 3.09 -10 -6 -14 -2.05 1.90 -10 -6 -14 0.47 1.83 -10 -6 -14 0.73 2.01 10 6 14 0.85 3.01 -10 -6 -14 -0.39 3.35 -10 -6 -14 2.18 4.23 10 6 14 2.39 2.79 -10 -6 -15 0.77 3.32 10 6 15 -3.80 3.85 10 6 15 -4.62 3.57 10 6 15 -1.21 4.04 10 6 15 -1.33 3.14 -10 -6 -15 1.09 1.71 -10 -6 -15 -2.16 1.89 10 6 15 2.07 3.11 -10 -6 -15 -5.96 3.47 -10 -6 -15 -1.74 4.05 10 6 15 -0.16 2.56 10 6 16 0.41 3.68 10 6 16 1.01 3.24 10 6 16 -3.51 3.09 -10 -6 -16 -0.42 2.20 -10 -6 -16 -0.15 1.89 -10 -6 -16 0.21 2.07 10 6 16 2.50 3.08 -10 -6 -16 -0.55 3.17 10 6 16 -0.39 2.46 10 6 17 -0.23 2.90 -10 -6 -17 -0.19 1.93 -10 -6 -17 0.41 2.07 -10 -6 -17 -1.18 1.68 -10 -6 -17 -4.32 1.81 10 6 17 0.39 3.03 -10 -6 -17 1.89 2.90 10 6 17 -3.53 3.90 10 6 18 0.35 2.69 -10 -6 -18 0.21 1.70 -10 -6 -18 -0.43 1.72 -10 -6 -18 -0.43 1.93 10 6 18 4.67 2.87 10 6 18 -4.25 3.19 -10 -6 -18 -0.15 2.08 10 6 19 0.20 2.29 -10 -6 -19 0.82 1.48 -10 -6 -19 0.51 1.42 -10 -6 -19 -0.18 1.64 10 6 19 -0.99 2.47 10 6 19 3.22 3.12 -10 -6 -19 0.07 1.71 10 6 20 -0.69 2.14 -10 -6 -20 0.44 1.38 10 6 20 1.54 1.88 -10 -6 -20 0.52 1.51 10 7 -12 -0.99 2.62 10 7 -12 1.46 2.28 -10 -7 12 2.59 2.72 -10 -7 12 0.07 2.27 -10 -7 12 -0.09 1.96 10 7 -12 0.13 1.77 -10 -7 12 -0.56 1.62 10 7 -11 -0.38 3.27 10 7 -11 0.97 2.72 -10 -7 11 -1.42 3.21 -10 -7 11 0.91 1.81 -10 -7 11 -0.60 2.34 10 7 -11 -3.70 2.21 10 7 -11 0.41 1.70 -10 -7 11 0.47 1.99 10 7 -10 12.76 3.28 -10 -7 10 17.47 3.78 -10 -7 10 7.83 2.49 -10 -7 10 7.76 2.84 10 7 -10 17.95 2.57 -10 -7 10 9.51 2.47 10 7 -10 18.71 2.19 -10 -7 9 -0.63 2.82 -10 -7 9 0.55 2.63 10 7 -9 2.68 3.43 -10 -7 9 -5.74 3.86 10 7 -9 -1.83 2.08 -10 -7 9 -0.05 2.75 10 7 -8 -0.33 3.15 10 7 -8 1.95 2.64 -10 -7 8 1.26 2.64 -10 -7 8 3.07 2.73 -10 -7 8 -2.09 2.57 -10 -7 8 3.63 2.18 -10 -7 8 1.20 2.90 10 7 -8 2.87 2.26 -10 -7 8 -0.15 2.82 -10 -7 8 6.84 4.01 -10 -7 8 1.38 4.00 -10 -7 7 -2.48 3.97 -10 -7 7 2.60 4.38 -10 -7 7 0.75 2.82 10 7 -7 2.80 3.63 10 7 -7 1.08 3.00 -10 -7 7 -1.08 2.27 10 7 -7 0.55 2.66 10 7 -7 -2.80 2.48 -10 -7 7 0.49 2.85 -10 -7 7 0.32 2.94 -10 -7 6 8.15 4.02 -10 -7 6 5.38 4.55 -10 -7 6 7.66 4.79 10 7 -6 6.20 3.79 -10 -7 6 2.74 3.09 10 7 -6 4.23 3.91 10 7 -6 6.76 3.29 10 7 -6 9.96 2.84 10 7 -6 7.81 2.59 -10 -7 6 1.22 2.75 -10 -7 6 3.77 3.01 -10 -7 5 18.44 4.53 -10 -7 5 11.03 5.28 -10 -7 5 13.41 3.79 -10 -7 5 16.75 4.85 -10 -7 5 7.41 5.16 10 7 -5 20.92 4.49 10 7 -5 11.25 3.59 10 7 -5 14.31 3.73 -10 -7 5 5.06 3.28 10 7 -5 9.57 2.62 10 7 -5 14.04 3.04 10 7 -5 11.98 2.69 -10 -7 5 10.60 2.87 -10 -7 5 12.87 3.12 -10 -7 4 55.91 5.62 -10 -7 4 54.51 5.07 -10 -7 4 62.64 6.89 -10 -7 4 69.85 6.53 -10 -7 4 70.93 6.94 10 7 -4 65.28 4.86 10 7 -4 53.84 5.28 10 7 -4 65.91 4.75 -10 -7 4 50.37 4.36 10 7 -4 62.97 4.12 -10 -7 4 52.55 4.21 10 7 -4 63.46 4.00 -10 -7 4 60.93 3.90 -10 -7 3 3.12 5.04 -10 -7 3 1.76 4.63 -10 -7 3 2.13 3.22 10 7 -3 0.63 3.51 10 7 -3 1.73 3.15 10 7 -3 2.68 4.52 10 7 -3 0.69 3.45 10 7 -3 2.15 2.63 -10 -7 3 1.55 2.62 10 7 -3 -1.68 2.49 10 7 -3 1.97 2.78 10 7 -3 1.19 2.49 -10 -7 3 0.39 2.46 -10 -7 3 -1.39 2.87 -10 -7 2 23.93 6.14 -10 -7 2 20.36 5.38 -10 -7 2 1.30 3.28 -10 -7 2 21.93 6.38 10 7 -2 3.43 3.46 10 7 -2 1.26 3.32 10 7 -2 -0.25 4.45 10 7 -2 0.92 3.67 10 7 -2 -0.57 2.58 -10 -7 2 0.86 2.57 10 7 -2 3.03 2.61 10 7 -2 -0.22 2.47 10 7 -2 0.16 2.62 10 7 -2 6.18 2.61 10 7 -2 0.79 2.53 -10 -7 2 -0.99 2.87 10 7 -1 117.28 6.50 -10 -7 1 107.16 6.08 10 7 -1 138.40 6.19 10 7 -1 141.35 7.32 -10 -7 1 125.21 7.11 10 7 -1 131.55 6.27 10 7 -1 118.87 6.16 10 7 -1 130.12 6.16 10 7 -1 114.32 6.04 -10 -7 1 155.11 9.17 -10 -7 1 140.34 7.67 -10 -7 1 137.92 8.41 -10 -7 1 160.02 9.51 10 7 0 99.56 6.54 -10 -7 0 99.51 6.32 -10 -7 0 110.45 7.78 -10 -7 0 103.54 7.74 -10 -7 0 110.72 6.88 -10 -7 0 97.56 6.29 -10 -7 0 103.77 8.06 10 7 0 121.66 5.69 10 7 0 99.57 5.31 10 7 0 115.40 5.42 10 7 0 101.60 5.33 10 7 0 118.55 6.04 10 7 0 98.74 5.81 10 7 1 74.21 5.38 10 7 1 100.92 6.70 10 7 1 89.96 5.68 10 7 1 127.31 6.78 10 7 1 105.03 5.43 10 7 1 115.38 5.30 10 7 1 75.99 4.89 10 7 1 104.08 5.24 10 7 1 115.99 5.30 -10 -7 -1 116.49 6.85 -10 -7 -1 114.21 6.48 10 7 2 15.76 2.90 10 7 2 19.26 4.60 10 7 2 13.61 3.12 10 7 2 13.58 3.48 10 7 2 21.64 3.22 10 7 2 18.00 2.69 10 7 2 12.02 2.41 -10 -7 -2 8.55 4.46 -10 -7 -2 8.78 4.74 -10 -7 -2 18.18 3.79 -10 -7 -2 14.39 3.64 -10 -7 -2 12.00 5.23 -10 -7 -3 9.67 4.06 -10 -7 -3 7.83 4.22 -10 -7 -3 4.24 3.41 -10 -7 -3 6.39 4.85 10 7 3 8.07 2.94 10 7 3 8.87 3.69 10 7 3 1.48 3.29 10 7 3 6.78 2.85 10 7 3 8.66 3.43 10 7 3 6.20 3.37 10 7 3 7.94 3.28 10 7 3 5.09 2.44 10 7 3 6.74 2.89 10 7 3 6.70 2.33 10 7 3 3.89 2.23 10 7 3 7.67 2.19 10 7 4 29.60 3.32 10 7 4 27.38 3.14 10 7 4 27.31 3.79 10 7 4 19.37 3.19 10 7 4 7.45 3.81 10 7 4 13.80 4.35 10 7 4 34.69 3.73 10 7 4 22.14 3.61 10 7 4 38.98 4.09 -10 -7 -4 32.80 4.12 10 7 4 32.39 2.89 10 7 4 22.91 2.44 10 7 4 30.23 2.84 10 7 4 34.94 3.54 -10 -7 -4 31.45 4.24 -10 -7 -4 34.30 3.51 -10 -7 -4 37.09 4.39 -10 -7 -4 36.85 5.26 -10 -7 -5 43.49 4.12 -10 -7 -5 40.04 5.17 -10 -7 -5 37.75 4.61 10 7 5 48.10 3.79 10 7 5 49.07 3.72 10 7 5 39.87 4.77 10 7 5 50.25 4.25 10 7 5 50.84 4.06 10 7 5 56.53 4.41 -10 -7 -5 47.33 4.74 10 7 5 41.01 3.12 10 7 5 45.93 3.24 10 7 5 45.26 3.31 10 7 5 46.69 3.18 -10 -7 -6 40.44 3.54 -10 -7 -6 36.51 4.63 -10 -7 -6 34.91 4.12 -10 -7 -6 36.33 4.90 -10 -7 -6 40.27 4.59 10 7 6 39.33 3.68 10 7 6 26.80 4.65 10 7 6 6.20 4.01 10 7 6 42.24 3.85 10 7 6 9.06 4.09 10 7 6 42.00 4.06 10 7 6 39.81 3.66 10 7 6 30.49 3.61 10 7 6 39.55 2.95 10 7 6 38.50 2.97 10 7 6 37.82 2.96 -10 -7 -7 -1.28 3.92 -10 -7 -7 1.33 2.45 -10 -7 -7 0.88 3.40 -10 -7 -7 2.57 3.89 -10 -7 -7 0.76 3.62 -10 -7 -7 -2.21 2.57 10 7 7 1.82 3.22 10 7 7 5.12 2.86 10 7 7 -2.72 3.20 10 7 7 0.14 4.01 10 7 7 -5.23 3.60 10 7 7 0.24 2.95 10 7 7 -1.28 3.56 10 7 7 -5.28 3.92 10 7 7 -5.82 3.07 -10 -7 -7 2.24 2.00 10 7 7 3.57 2.77 10 7 7 9.78 2.43 10 7 7 2.73 2.94 10 7 7 11.45 2.29 10 7 7 2.30 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21.33 3.94 -10 -7 -11 19.82 3.92 10 7 11 19.92 3.37 10 7 11 26.41 3.70 10 7 11 25.76 3.84 10 7 11 7.65 3.67 10 7 11 21.26 3.88 10 7 11 21.23 3.48 10 7 11 17.94 3.25 10 7 11 17.70 2.87 10 7 11 19.37 2.44 10 7 11 17.17 2.93 -10 -7 -12 7.05 3.46 -10 -7 -12 8.54 3.81 10 7 12 6.52 2.76 10 7 12 9.61 3.28 10 7 12 4.81 3.55 10 7 12 5.25 3.77 10 7 12 8.91 4.05 10 7 12 6.16 3.28 -10 -7 -12 7.94 2.32 10 7 12 9.45 3.10 10 7 12 4.83 2.47 10 7 12 7.74 2.10 10 7 12 7.56 2.72 -10 -7 -13 0.22 3.70 -10 -7 -13 1.17 3.48 10 7 13 -2.97 3.08 10 7 13 -0.75 3.49 10 7 13 1.50 3.74 10 7 13 0.08 3.99 10 7 13 1.89 3.27 -10 -7 -13 -0.85 2.02 -10 -7 -13 1.66 1.94 10 7 13 5.00 3.12 -10 -7 -13 2.73 3.50 10 7 13 0.43 1.74 10 7 13 -0.74 2.67 -10 -7 -14 7.61 3.62 10 7 14 8.47 3.22 10 7 14 2.35 3.78 10 7 14 2.56 3.35 10 7 14 3.18 3.39 -10 -7 -14 7.09 1.83 -10 -7 -14 6.78 2.17 10 7 14 2.55 3.24 -10 -7 -14 5.66 3.38 -10 -7 -14 8.35 4.50 10 7 14 6.10 2.66 -10 -7 -15 3.06 3.21 10 7 15 2.40 3.82 10 7 15 -3.22 3.39 10 7 15 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-4 -0.29 3.49 10 8 -4 0.22 3.31 10 8 -4 1.80 4.33 10 8 -4 0.22 3.50 10 8 -4 0.25 2.41 10 8 -4 2.29 2.85 -10 -8 4 0.09 2.79 -10 -8 4 -1.53 3.05 -10 -8 3 91.52 5.88 -10 -8 3 77.93 7.47 -10 -8 3 106.40 7.62 10 8 -3 55.26 4.60 10 8 -3 62.32 4.97 10 8 -3 62.90 5.57 10 8 -3 69.57 5.04 10 8 -3 82.04 5.16 -10 -8 3 74.10 5.20 10 8 -3 75.76 4.21 10 8 -3 82.65 4.58 -10 -8 3 62.91 4.57 -10 -8 3 67.27 4.34 -10 -8 2 3.32 5.30 -10 -8 2 -3.47 5.83 -10 -8 2 -1.92 3.32 -10 -8 2 1.41 5.66 10 8 -2 0.69 3.50 10 8 -2 -2.73 3.30 10 8 -2 1.73 4.54 10 8 -2 0.46 3.61 10 8 -2 -0.86 2.76 -10 -8 2 1.06 2.72 10 8 -2 0.72 2.76 10 8 -2 1.00 2.68 -10 -8 2 0.99 2.51 -10 -8 2 -2.38 3.00 -10 -8 1 -5.43 5.23 -10 -8 1 -8.83 5.94 -10 -8 1 1.28 3.31 -10 -8 1 -3.58 5.43 10 8 -1 1.30 3.32 10 8 -1 -0.12 3.34 10 8 -1 0.17 4.48 10 8 -1 -0.92 3.57 10 8 -1 1.20 2.93 -10 -8 1 2.47 2.85 10 8 -1 -0.55 2.70 10 8 -1 4.04 2.61 10 8 -1 1.10 2.39 -10 -8 1 -4.08 3.17 -10 -8 0 9.11 5.13 -10 -8 0 10.83 5.79 -10 -8 0 13.38 3.48 -10 -8 0 9.90 3.04 -10 -8 0 6.82 5.55 10 8 0 11.87 3.23 10 8 0 7.36 3.51 10 8 0 7.23 4.40 10 8 0 7.74 3.55 10 8 0 10.37 3.54 10 8 0 11.56 3.25 -10 -8 0 7.84 2.92 10 8 0 6.53 2.95 10 8 0 9.67 2.47 10 8 0 10.24 2.61 -10 -8 0 9.68 3.02 10 8 1 15.21 2.96 10 8 1 12.21 3.70 10 8 1 8.46 4.28 10 8 1 21.53 4.60 10 8 1 15.64 3.51 10 8 1 15.33 3.39 10 8 1 15.45 3.51 -10 -8 -1 22.35 3.42 10 8 1 15.78 3.11 10 8 1 16.28 2.46 10 8 1 17.05 2.73 -10 -8 -1 26.63 5.23 -10 -8 -1 28.17 5.78 -10 -8 -1 18.83 3.81 -10 -8 -1 20.62 3.33 -10 -8 -1 21.66 5.80 10 8 2 37.32 3.46 10 8 2 42.13 3.40 10 8 2 19.13 4.62 10 8 2 39.88 4.87 10 8 2 39.81 4.04 10 8 2 39.70 3.86 10 8 2 38.66 4.25 10 8 2 41.60 3.61 -10 -8 -2 34.57 5.57 -10 -8 -2 39.02 5.89 -10 -8 -2 48.59 4.57 -10 -8 -2 31.88 4.05 -10 -8 -2 36.64 6.13 10 8 3 -0.91 3.15 10 8 3 -0.71 3.12 10 8 3 0.27 2.85 10 8 3 -2.90 3.90 10 8 3 1.88 2.98 10 8 3 1.29 3.49 10 8 3 0.07 3.14 10 8 3 -4.55 3.16 10 8 3 2.51 2.91 10 8 3 0.11 2.38 -10 -8 -3 15.22 4.94 -10 -8 -3 15.60 5.09 -10 -8 -3 3.58 3.25 -10 -8 -3 13.10 5.40 10 8 4 42.55 3.90 10 8 4 48.09 3.83 10 8 4 42.28 4.24 10 8 4 45.34 4.41 10 8 4 36.02 3.69 10 8 4 48.58 4.23 10 8 4 41.73 4.41 -10 -8 -4 49.64 4.77 10 8 4 45.13 3.82 10 8 4 38.22 3.15 10 8 4 45.75 3.33 10 8 4 51.22 3.52 -10 -8 -4 45.56 5.21 -10 -8 -4 56.11 6.11 -10 -8 -4 37.33 4.54 -10 -8 -5 43.94 4.13 -10 -8 -5 46.99 4.95 -10 -8 -5 37.58 5.27 10 8 5 44.80 4.01 10 8 5 39.71 3.76 10 8 5 31.09 3.98 10 8 5 45.94 4.99 10 8 5 45.60 4.02 10 8 5 31.70 3.46 10 8 5 47.63 4.14 -10 -8 -5 41.49 4.77 10 8 5 39.64 2.86 10 8 5 36.99 3.05 10 8 5 40.34 3.38 10 8 5 38.37 2.94 -10 -8 -6 79.34 5.29 -10 -8 -6 70.36 5.80 -10 -8 -6 65.59 5.89 10 8 6 69.46 4.70 10 8 6 71.14 4.72 10 8 6 52.59 5.43 10 8 6 62.55 4.88 10 8 6 63.23 4.61 10 8 6 72.96 5.02 10 8 6 84.25 5.66 -10 -8 -6 86.11 6.10 10 8 6 70.36 4.62 10 8 6 70.88 3.94 10 8 6 71.14 4.03 10 8 6 69.11 4.17 10 8 6 72.99 4.08 -10 -8 -7 201.29 10.43 -10 -8 -7 224.64 11.02 -10 -8 -7 223.91 11.00 -10 -8 -7 196.69 10.41 10 8 7 246.00 11.33 10 8 7 228.32 10.99 -10 -8 -7 248.33 11.80 10 8 7 231.88 10.09 10 8 7 205.05 9.79 10 8 7 250.45 10.27 10 8 7 242.44 10.06 10 8 7 202.83 9.33 10 8 7 223.13 9.55 10 8 7 237.19 9.59 10 8 7 220.14 9.54 -10 -8 -8 43.22 4.16 -10 -8 -8 44.24 4.93 -10 -8 -8 40.27 4.19 10 8 8 42.26 4.56 10 8 8 49.82 4.48 -10 -8 -8 46.25 5.28 10 8 8 55.31 4.42 10 8 8 39.98 4.89 10 8 8 41.87 3.76 10 8 8 52.05 4.35 10 8 8 56.14 4.17 -10 -8 -8 46.88 3.10 10 8 8 53.52 3.89 10 8 8 42.07 3.19 10 8 8 48.62 3.47 10 8 8 49.48 3.20 -10 -8 -9 6.31 3.10 10 8 9 3.90 3.57 10 8 9 1.20 3.61 10 8 9 1.07 3.65 10 8 9 -1.73 5.55 10 8 9 6.75 3.48 10 8 9 0.96 3.25 -10 -8 -9 4.64 3.97 -10 -8 -9 4.07 2.97 10 8 9 4.77 3.02 10 8 9 7.15 3.17 10 8 9 -0.28 3.00 10 8 9 3.30 2.77 10 8 9 2.26 2.58 10 8 9 1.52 1.98 10 8 9 4.49 2.06 -10 -8 -10 6.80 3.29 10 8 10 4.68 3.41 10 8 10 7.31 3.97 10 8 10 6.73 3.53 10 8 10 -1.90 5.57 10 8 10 5.50 3.38 10 8 10 7.31 3.40 -10 -8 -10 7.21 4.21 -10 -8 -10 9.32 3.35 10 8 10 7.31 3.25 10 8 10 11.56 3.30 10 8 10 13.37 3.19 10 8 10 6.29 2.66 10 8 10 8.49 2.57 10 8 10 7.37 2.20 -10 -8 -11 17.22 3.82 -10 -8 -11 23.25 4.72 -10 -8 -11 21.20 3.92 10 8 11 20.75 3.40 10 8 11 27.95 3.95 10 8 11 19.51 3.83 10 8 11 7.92 3.83 10 8 11 17.81 3.81 10 8 11 16.16 5.33 10 8 11 20.91 3.66 10 8 11 21.80 3.65 10 8 11 21.35 3.43 10 8 11 18.23 2.90 10 8 11 22.22 2.76 10 8 11 15.77 2.28 -10 -8 -12 78.90 6.08 10 8 12 81.19 5.78 10 8 12 77.62 5.42 10 8 12 79.62 5.31 10 8 12 72.14 4.93 10 8 12 78.74 5.05 -10 -8 -12 75.02 3.93 10 8 12 79.19 4.86 10 8 12 55.11 4.03 -10 -8 -12 69.43 5.83 10 8 13 42.26 4.62 10 8 13 46.08 4.40 10 8 13 44.44 4.01 10 8 13 51.61 4.37 -10 -8 -13 45.46 2.89 10 8 13 45.61 4.11 -10 -8 -13 51.54 5.02 -10 -8 -13 43.79 4.95 10 8 13 56.55 4.88 -10 -8 -14 -0.19 3.36 10 8 14 -0.49 3.70 10 8 14 1.90 3.35 10 8 14 -1.12 3.32 -10 -8 -14 -1.52 1.97 10 8 14 1.38 3.22 -10 -8 -14 0.19 3.21 10 8 14 -1.76 2.49 10 8 15 2.97 3.64 10 8 15 -0.66 3.11 10 8 15 -2.17 3.39 -10 -8 -15 -0.04 2.07 -10 -8 -15 2.18 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2.85 10 9 -4 25.02 3.15 -10 -9 4 16.87 3.20 -10 -9 4 28.24 3.57 10 9 -4 28.49 2.95 -10 -9 3 4.08 4.19 -10 -9 3 1.43 5.37 -10 -9 3 0.41 5.78 -10 -9 3 2.66 3.19 10 9 -3 3.39 3.50 10 9 -3 -2.81 3.48 10 9 -3 5.77 4.10 10 9 -3 -0.30 3.64 10 9 -3 -0.92 3.78 10 9 -3 4.51 2.81 10 9 -3 2.94 2.83 10 9 -3 1.22 2.68 10 9 -3 0.12 2.40 -10 -9 3 0.59 2.85 -10 -9 3 -2.03 3.23 -10 -9 2 37.53 6.48 -10 -9 2 47.74 4.55 -10 -9 2 38.01 6.47 -10 -9 2 47.44 6.83 10 9 -2 30.17 4.09 10 9 -2 19.80 5.56 10 9 -2 51.69 5.08 10 9 -2 39.63 4.18 10 9 -2 44.35 4.57 10 9 -2 35.93 4.01 -10 -9 2 45.06 4.18 10 9 -2 36.92 3.34 10 9 -2 36.50 3.40 -10 -9 2 40.08 3.96 -10 -9 2 43.38 3.48 10 9 -1 27.49 4.94 10 9 -1 19.59 4.00 10 9 -1 19.59 3.91 10 9 -1 7.82 5.05 10 9 -1 38.85 3.86 -10 -9 1 31.53 3.74 10 9 -1 22.06 3.82 10 9 -1 28.18 3.23 10 9 -1 25.28 3.09 -10 -9 1 27.39 5.77 -10 -9 1 31.71 6.70 -10 -9 1 33.46 4.14 -10 -9 1 39.56 6.24 10 9 0 16.43 4.64 10 9 0 30.88 4.95 10 9 0 32.54 3.99 10 9 0 30.45 3.82 10 9 0 22.50 3.66 -10 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5.36 10 9 4 7.04 3.12 10 9 4 9.21 2.98 10 9 4 5.48 3.91 10 9 4 9.21 3.38 10 9 4 8.56 3.38 10 9 4 1.17 3.27 -10 -9 -4 9.24 3.60 10 9 4 6.22 3.41 10 9 4 10.12 3.22 10 9 4 7.35 3.04 10 9 4 7.16 3.01 10 9 4 7.89 2.48 -10 -9 -4 0.34 4.83 -10 -9 -4 4.67 3.42 -10 -9 -4 2.38 4.67 10 9 5 59.00 4.44 10 9 5 35.34 4.70 10 9 5 42.52 5.30 10 9 5 70.54 4.63 10 9 5 62.40 4.46 -10 -9 -5 70.66 5.54 10 9 5 67.25 4.64 10 9 5 60.19 4.56 10 9 5 64.69 3.88 10 9 5 62.84 4.13 -10 -9 -5 68.94 5.53 -10 -9 -5 64.32 6.22 10 9 6 103.43 5.51 10 9 6 78.38 5.35 10 9 6 78.20 5.26 10 9 6 113.83 7.39 10 9 6 96.98 5.38 10 9 6 75.49 5.96 -10 -9 -6 78.52 6.17 10 9 6 99.35 5.49 10 9 6 105.82 5.27 10 9 6 78.17 4.51 10 9 6 83.02 4.86 -10 -9 -6 63.77 5.53 -10 -9 -6 75.91 6.29 -10 -9 -6 72.61 6.55 10 9 7 21.97 3.78 10 9 7 11.98 4.31 10 9 7 16.75 3.41 10 9 7 3.49 5.99 10 9 7 11.39 5.66 10 9 7 17.87 3.47 10 9 7 13.86 4.23 10 9 7 17.51 3.71 10 9 7 23.49 7.86 -10 -9 -7 27.60 4.43 10 9 7 29.52 3.99 10 9 7 32.14 3.93 10 9 7 20.13 3.33 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39.23 4.09 -11 -7 4 44.40 3.39 11 7 -4 37.85 3.42 -11 -7 4 28.63 3.76 11 7 -4 41.56 3.25 -11 -7 3 6.47 3.78 -11 -7 3 16.42 3.95 -11 -7 3 19.03 4.70 11 7 -3 4.37 3.45 11 7 -3 3.76 4.45 11 7 -3 6.28 3.58 11 7 -3 7.46 2.61 11 7 -3 4.41 2.62 11 7 -3 13.68 2.69 -11 -7 3 2.35 2.93 -11 -7 3 9.19 2.72 -11 -7 2 2.08 4.71 -11 -7 2 4.76 3.48 -11 -7 2 7.23 4.47 -11 -7 2 6.47 5.40 11 7 -2 9.19 3.49 11 7 -2 4.72 3.05 11 7 -2 2.55 4.62 11 7 -2 6.71 3.74 11 7 -2 7.56 3.05 11 7 -2 8.40 2.85 11 7 -2 8.30 2.64 11 7 -2 5.58 2.67 11 7 -2 9.42 2.63 -11 -7 2 1.88 2.96 -11 -7 2 6.62 2.63 -11 -7 1 6.01 4.73 -11 -7 1 6.49 3.55 -11 -7 1 3.50 4.51 -11 -7 1 11.92 5.47 11 7 -1 6.29 3.39 11 7 -1 5.15 3.23 11 7 -1 5.72 4.72 11 7 -1 3.40 3.75 11 7 -1 8.22 2.98 -11 -7 1 4.81 2.67 11 7 -1 6.47 2.98 11 7 -1 0.74 2.54 11 7 -1 4.54 2.64 11 7 -1 6.07 2.66 -11 -7 1 5.74 2.89 -11 -7 1 6.47 2.52 -11 -7 0 14.07 4.67 -11 -7 0 19.79 3.99 -11 -7 0 12.20 4.56 -11 -7 0 16.00 5.39 11 7 0 11.88 3.30 11 7 0 16.05 3.66 11 7 0 16.92 3.60 11 7 0 8.31 3.15 -11 -7 0 12.43 3.00 11 7 0 15.22 3.19 11 7 0 12.13 2.61 11 7 0 16.30 2.76 11 7 0 20.29 2.86 -11 -7 0 8.28 2.48 11 7 1 1.28 2.93 11 7 1 1.62 3.35 11 7 1 0.81 4.90 11 7 1 -0.48 3.18 11 7 1 -0.99 3.60 11 7 1 2.10 2.54 11 7 1 -0.40 2.92 11 7 1 -1.22 2.50 -11 -7 -1 -1.80 4.33 -11 -7 -1 -2.18 4.14 -11 -7 -1 -0.52 3.37 -11 -7 -1 4.32 3.24 -11 -7 -1 -4.52 5.44 11 7 1 0.51 3.05 -11 -7 -1 -1.73 2.89 11 7 2 18.46 4.28 11 7 2 15.94 3.37 11 7 2 31.75 3.66 11 7 2 27.06 2.97 11 7 2 20.47 2.83 11 7 2 26.13 3.05 -11 -7 -2 18.79 4.54 -11 -7 -2 29.30 4.54 -11 -7 -2 26.45 4.31 -11 -7 -2 27.86 4.14 -11 -7 -2 27.54 5.84 11 7 2 33.79 4.16 -11 -7 -3 103.46 6.64 -11 -7 -3 103.36 6.84 -11 -7 -3 106.04 6.64 -11 -7 -3 119.32 8.03 11 7 3 93.15 6.04 11 7 3 96.37 6.08 11 7 3 78.54 5.35 11 7 3 120.18 5.80 11 7 3 111.72 5.38 11 7 3 83.30 5.02 11 7 3 103.66 5.13 -11 -7 -3 104.29 5.17 11 7 3 102.30 6.69 -11 -7 -4 6.21 3.69 -11 -7 -4 2.42 4.89 11 7 4 6.63 3.44 11 7 4 4.56 2.70 11 7 4 4.56 3.49 11 7 4 4.69 4.40 11 7 4 0.84 3.57 11 7 4 5.77 3.54 11 7 4 5.31 2.64 11 7 4 4.11 3.17 11 7 4 4.02 2.51 11 7 4 3.28 2.09 -11 -7 -4 6.08 2.36 11 7 4 3.52 2.36 11 7 5 47.22 3.89 11 7 5 46.76 5.37 11 7 5 45.32 4.65 11 7 5 46.21 4.57 11 7 5 66.76 5.40 -11 -7 -5 63.95 3.69 11 7 5 59.42 3.73 11 7 5 64.50 3.96 -11 -7 -5 65.84 5.51 -11 -7 -5 66.24 6.12 -11 -7 -6 1.77 3.20 -11 -7 -6 -1.65 3.68 -11 -7 -6 6.54 4.38 11 7 6 1.50 2.91 11 7 6 -1.25 4.42 11 7 6 -1.65 3.70 11 7 6 0.83 3.31 11 7 6 3.63 3.82 11 7 6 -2.61 2.98 -11 -7 -6 -1.14 2.13 -11 -7 -6 -0.39 2.43 11 7 6 0.06 2.47 11 7 6 0.05 2.41 11 7 6 -2.52 2.39 -11 -7 -7 100.79 6.28 -11 -7 -7 102.95 6.90 -11 -7 -7 121.01 7.75 -11 -7 -7 139.50 7.44 11 7 7 107.48 6.02 11 7 7 95.78 6.04 11 7 7 111.36 6.64 11 7 7 104.77 5.82 11 7 7 128.43 7.57 -11 -7 -7 121.37 7.75 -11 -7 -7 126.28 5.34 -11 -7 -7 121.25 5.44 11 7 7 106.63 5.54 11 7 7 111.10 5.67 11 7 7 113.85 5.67 -11 -7 -8 1.58 4.22 -11 -7 -8 1.43 2.71 -11 -7 -8 1.11 3.53 11 7 8 -1.61 3.26 -11 -7 -8 1.44 3.68 11 7 8 3.02 3.29 11 7 8 4.55 3.82 11 7 8 3.98 3.82 11 7 8 0.65 2.88 11 7 8 0.38 3.83 11 7 8 -0.93 3.51 11 7 8 0.59 2.96 -11 -7 -8 3.06 2.10 11 7 8 2.27 2.42 11 7 8 1.34 3.25 11 7 8 -0.22 2.25 11 7 8 0.21 2.22 -11 -7 -9 35.18 4.96 -11 -7 -9 26.31 3.75 -11 -7 -9 36.90 4.72 -11 -7 -9 35.17 4.78 11 7 9 34.02 4.17 11 7 9 28.30 3.76 11 7 9 28.83 4.37 11 7 9 23.04 4.03 11 7 9 29.59 4.29 11 7 9 33.22 3.49 -11 -7 -9 30.70 2.84 11 7 9 33.35 3.29 11 7 9 30.98 3.69 11 7 9 28.12 2.66 11 7 9 30.96 2.88 11 7 9 33.85 2.96 -11 -7 -10 0.63 4.30 -11 -7 -10 5.61 2.91 -11 -7 -10 5.86 4.02 -11 -7 -10 8.62 4.10 11 7 10 2.99 3.16 11 7 10 4.36 3.44 11 7 10 3.26 3.76 11 7 10 6.77 4.14 11 7 10 3.87 3.93 11 7 10 4.77 2.98 -11 -7 -10 4.90 2.14 11 7 10 4.41 2.91 11 7 10 2.19 2.07 11 7 10 5.47 2.89 11 7 10 3.85 2.36 -11 -7 -11 10.27 3.38 -11 -7 -11 11.31 4.39 -11 -7 -11 7.62 3.28 11 7 11 8.91 3.17 11 7 11 5.75 3.45 11 7 11 2.82 3.37 11 7 11 6.47 3.77 11 7 11 11.08 4.44 11 7 11 11.08 3.89 11 7 11 6.74 3.05 11 7 11 6.13 2.98 11 7 11 9.92 2.92 -11 -7 -11 8.49 2.33 11 7 11 0.35 2.28 -11 -7 -12 2.90 3.21 -11 -7 -12 -0.19 4.10 -11 -7 -12 2.90 3.30 11 7 12 2.15 2.78 11 7 12 0.78 3.62 11 7 12 -0.08 3.64 11 7 12 -3.32 3.60 11 7 12 -2.06 3.03 -11 -7 -12 4.20 2.25 11 7 12 3.47 2.93 11 7 12 4.26 2.62 11 7 12 -0.09 2.12 11 7 12 0.16 2.58 -11 -7 -13 4.83 3.30 11 7 13 13.70 3.90 11 7 13 11.90 3.76 11 7 13 0.82 3.74 11 7 13 2.53 3.06 -11 -7 -13 4.78 2.19 -11 -7 -13 8.17 2.06 11 7 13 9.31 3.02 -11 -7 -13 6.52 3.36 -11 -7 -13 4.85 4.45 11 7 13 1.47 2.03 11 7 13 0.85 2.80 11 7 14 -1.73 3.65 11 7 14 -2.04 3.61 11 7 14 -5.22 3.74 11 7 14 6.24 2.99 -11 -7 -14 0.56 1.86 -11 -7 -14 0.71 1.79 -11 -7 -14 0.54 1.91 11 7 14 -1.27 2.97 -11 -7 -14 1.85 3.14 -11 -7 -14 -1.33 3.98 -11 -7 -14 4.60 3.30 11 7 15 2.00 2.89 -11 -7 -15 4.65 1.62 -11 -7 -15 2.40 1.84 11 7 15 4.00 2.88 -11 -7 -15 5.16 3.22 -11 -7 -15 2.54 3.84 11 7 15 -1.53 3.65 11 7 15 3.02 3.35 11 7 16 2.65 2.93 -11 -7 -16 -0.23 2.07 -11 -7 -16 1.43 1.76 -11 -7 -16 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3.02 11 8 -7 5.82 2.60 -11 -8 7 11.14 3.89 -11 -8 6 9.20 4.07 -11 -8 6 8.66 4.64 11 8 -6 10.53 3.52 -11 -8 6 7.46 2.77 11 8 -6 14.57 3.72 11 8 -6 10.44 3.12 -11 -8 6 6.10 3.04 -11 -8 6 11.94 2.53 11 8 -6 17.53 2.88 -11 -8 6 15.47 2.80 -11 -8 5 3.96 3.93 -11 -8 5 1.14 4.17 -11 -8 5 0.55 4.35 11 8 -5 4.60 3.95 11 8 -5 1.46 3.08 11 8 -5 6.57 2.77 -11 -8 5 1.51 2.40 -11 -8 5 1.91 2.73 -11 -8 5 0.87 2.87 11 8 -5 2.62 3.30 -11 -8 5 -0.28 2.94 -11 -8 4 26.46 4.74 -11 -8 4 39.18 5.60 -11 -8 4 21.80 3.92 -11 -8 4 30.80 5.40 -11 -8 4 22.26 5.36 11 8 -4 1.77 4.38 11 8 -4 3.74 3.34 11 8 -4 -3.05 2.73 -11 -8 4 -2.31 2.87 11 8 -4 0.77 3.62 -11 -8 4 0.05 3.27 -11 -8 3 -6.02 4.77 -11 -8 3 0.83 3.33 -11 -8 3 1.17 4.50 11 8 -3 1.18 3.37 11 8 -3 3.46 3.22 11 8 -3 1.06 4.45 11 8 -3 3.26 3.45 11 8 -3 0.09 2.41 11 8 -3 1.14 2.58 11 8 -3 0.38 2.39 -11 -8 3 -1.59 2.69 -11 -8 2 13.53 5.31 -11 -8 2 15.20 3.72 -11 -8 2 17.67 4.89 -11 -8 2 17.18 5.71 11 8 -2 13.64 3.69 11 8 -2 7.77 3.23 11 8 -2 0.34 4.63 11 8 -2 13.22 3.71 11 8 -2 11.02 3.81 11 8 -2 15.90 3.18 11 8 -2 13.35 2.87 11 8 -2 13.68 2.81 -11 -8 2 12.25 2.88 -11 -8 1 18.34 5.38 -11 -8 1 24.41 5.16 -11 -8 1 29.30 4.11 -11 -8 1 17.88 5.96 11 8 -1 15.86 3.50 11 8 -1 14.09 3.61 11 8 -1 7.14 4.69 11 8 -1 19.11 3.94 11 8 -1 5.23 3.53 11 8 -1 23.67 3.60 11 8 -1 17.82 3.03 11 8 -1 14.58 2.77 11 8 -1 21.43 2.80 -11 -8 1 18.61 2.81 11 8 0 64.46 4.82 11 8 0 48.75 5.79 11 8 0 53.61 4.90 11 8 0 51.61 4.73 11 8 0 68.12 5.24 -11 -8 0 61.98 4.82 11 8 0 72.93 4.40 11 8 0 45.87 3.75 11 8 0 57.74 3.98 -11 -8 0 79.57 5.59 -11 -8 0 76.82 6.56 -11 -8 0 102.62 7.44 11 8 1 19.81 3.67 11 8 1 8.93 4.56 11 8 1 22.83 5.01 11 8 1 22.26 3.47 11 8 1 8.88 3.45 -11 -8 -1 14.14 3.28 11 8 1 12.98 3.15 11 8 1 13.59 2.72 -11 -8 -1 13.13 4.79 -11 -8 -1 10.63 4.56 -11 -8 -1 11.94 3.63 -11 -8 -1 11.14 3.21 -11 -8 -1 11.25 5.39 11 8 2 0.15 2.93 11 8 2 0.78 4.08 11 8 2 0.44 4.48 11 8 2 -0.20 3.25 11 8 2 1.89 3.19 11 8 2 1.03 3.22 -11 -8 -2 -1.10 4.47 -11 -8 -2 2.31 4.19 -11 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43.47 5.13 -12 -5 -5 50.29 5.50 -12 -5 -5 49.10 3.31 -12 -5 -5 48.72 3.49 -12 -5 -5 54.07 3.50 12 5 5 36.12 5.44 12 5 5 45.51 4.27 12 5 5 46.52 5.18 12 5 5 48.59 4.18 12 5 5 46.20 3.70 12 5 5 43.41 3.41 -12 -5 -6 -0.46 3.80 -12 -5 -6 9.03 3.80 -12 -5 -6 1.04 2.38 -12 -5 -6 0.25 2.67 -12 -5 -6 2.29 2.28 -12 -5 -6 3.35 2.46 -12 -5 -6 1.48 2.33 12 5 6 0.96 4.40 12 5 6 -0.67 3.58 12 5 6 -0.75 3.64 12 5 6 0.33 3.99 12 5 6 1.64 2.77 12 5 6 -0.29 2.77 12 5 6 0.40 2.26 12 5 6 -0.99 2.47 -12 -5 -7 34.72 4.33 -12 -5 -7 31.17 4.79 -12 -5 -7 24.69 2.72 -12 -5 -7 38.27 2.75 -12 -5 -7 32.70 3.08 -12 -5 -7 31.40 2.96 -12 -5 -7 30.63 2.72 12 5 7 35.47 4.78 12 5 7 5.11 4.10 12 5 7 20.29 4.47 12 5 7 3.76 4.49 12 5 7 35.13 4.58 12 5 7 37.62 3.31 12 5 7 39.91 3.32 12 5 7 37.37 3.17 -12 -5 -8 40.42 2.79 -12 -5 -8 36.77 3.13 -12 -5 -8 41.32 3.11 -12 -5 -8 44.14 3.00 12 5 8 33.00 4.60 12 5 8 12.45 4.48 12 5 8 32.77 3.83 12 5 8 22.21 4.70 12 5 8 42.05 4.87 12 5 8 48.04 4.15 12 5 8 46.04 3.36 12 5 8 48.86 3.47 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2.00 2.05 -15 -6 -7 2.34 2.21 15 6 8 -0.22 3.08 15 6 8 0.29 2.27 -15 -6 -8 0.59 1.72 -15 -6 -8 -1.24 1.86 -15 -6 -8 0.70 1.67 15 6 8 1.42 2.10 -15 -6 -8 0.07 2.06 15 6 9 -0.55 2.85 -15 -6 -9 -0.34 2.14 -15 -6 -9 1.20 1.58 -15 -6 -9 1.98 1.57 15 6 9 0.04 2.38 15 6 9 1.14 1.97 -15 -6 -9 0.27 1.92 -15 -6 -10 1.14 2.25 15 6 10 0.12 2.44 -15 -6 -10 3.94 1.83 -15 -6 -10 1.80 1.85 -15 -6 -10 4.24 1.83 15 6 11 -0.24 2.23 -15 -6 -11 2.35 1.64 -15 -6 -11 0.47 1.63 -15 -6 -11 2.61 1.57 15 6 12 2.43 2.66 -15 -6 -12 6.30 1.60 15 6 13 1.56 2.46 15 6 13 -0.53 2.64 -15 -6 -13 0.72 1.49 -15 -6 -13 1.50 1.38 -15 -6 -14 1.17 1.56 15 6 14 -0.71 2.46 -15 -7 1 3.35 1.64 -15 -7 1 3.78 1.54 -15 -7 1 -0.12 2.26 15 7 -1 0.83 2.90 15 7 -1 -1.19 2.27 15 7 0 -1.38 3.24 15 7 0 0.62 2.53 -15 -7 0 0.04 2.55 -15 -7 0 1.29 1.70 -15 -7 0 0.20 1.58 -15 -7 0 -0.07 1.62 15 7 0 2.79 1.73 -15 -7 0 -0.48 1.78 -15 -7 -1 -0.35 2.73 -15 -7 -1 1.26 1.84 -15 -7 -1 3.24 1.87 15 7 1 4.00 1.94 -15 -7 -1 -0.26 2.03 -15 -7 -2 1.18 2.07 15 7 2 -2.02 2.28 -15 -7 -2 -2.16 2.13 -15 -7 -2 -3.63 1.96 -15 -7 -2 0.18 2.05 -15 -7 -2 -0.06 1.71 -15 -7 -3 4.12 1.88 -15 -7 -3 3.57 2.05 -15 -7 -3 5.09 1.77 15 7 3 4.77 2.47 15 7 3 -1.47 3.40 15 7 3 2.32 2.80 15 7 4 2.36 3.61 15 7 4 0.69 2.83 -15 -7 -4 1.20 1.81 -15 -7 -4 1.30 2.06 -15 -7 -4 -0.21 1.92 -15 -7 -4 1.66 1.77 15 7 4 -0.83 2.43 15 7 4 -4.21 2.54 15 7 4 -0.38 2.04 -15 -7 -4 0.72 2.41 15 7 5 0.11 3.52 15 7 5 -1.19 2.77 -15 -7 -5 -0.64 1.74 -15 -7 -5 -1.83 2.10 -15 -7 -5 -0.66 1.99 -15 -7 -5 -1.43 1.93 -15 -7 -5 2.31 1.79 15 7 5 1.11 2.52 -15 -7 -5 -0.10 2.26 15 7 5 0.82 2.42 -15 -7 -5 0.85 2.24 15 7 6 -1.53 3.18 15 7 6 0.21 3.00 -15 -7 -6 1.63 1.72 -15 -7 -6 -2.37 2.06 -15 -7 -6 -2.33 2.03 -15 -7 -6 2.20 1.90 -15 -7 -6 0.41 2.40 15 7 6 -3.94 2.86 15 7 6 0.31 2.64 15 7 6 1.95 2.09 -15 -7 -6 -1.28 2.32 15 7 7 -0.11 3.08 -15 -7 -7 0.21 1.60 -15 -7 -7 0.44 1.92 -15 -7 -7 1.20 1.72 15 7 7 -0.60 2.18 15 7 7 0.23 2.98 15 7 7 -0.89 2.02 -15 -7 -7 -0.15 2.28 -15 -7 -8 3.04 1.77 -15 -7 -8 1.99 1.72 15 7 8 0.67 2.36 15 7 8 1.34 2.02 -15 -7 -8 1.47 2.05 -15 -7 -9 -0.70 1.56 -15 -7 -9 0.23 1.87 -15 -7 -9 2.16 1.64 15 7 9 0.76 2.50 15 7 9 -1.53 2.60 15 7 9 -0.23 1.83 -15 -7 -9 1.05 1.95 -15 -7 -10 3.31 1.82 -15 -7 -10 2.93 1.50 15 7 10 -0.33 2.61 15 7 10 0.72 2.26 -15 -7 -10 3.03 1.79 15 7 11 -0.10 2.75 -15 -7 -11 -0.06 1.62 -15 -7 -11 -0.60 1.60 15 7 11 0.88 2.52 15 7 11 0.33 2.15 -15 -7 -11 0.84 1.55 -15 -7 -12 1.94 1.48 -15 -7 -12 0.81 1.57 15 7 12 1.68 2.70 15 7 12 0.87 2.65 -15 -7 -13 0.80 1.35 -15 -7 -13 -0.92 1.41 15 7 13 -0.43 2.41 15 7 13 -0.12 2.54 -15 -7 -14 -0.02 1.38 15 7 14 -0.68 2.27 15 7 14 0.18 2.26 -15 -8 1 -1.88 1.57 -15 -8 1 -1.52 1.66 -15 -8 1 0.03 2.11 15 8 -1 0.89 2.80 15 8 -1 -0.78 2.21 15 8 0 0.96 3.17 15 8 0 1.27 2.49 -15 -8 0 3.89 1.69 -15 -8 0 -0.56 2.40 15 8 0 2.05 1.75 -15 -8 0 1.82 1.88 15 8 1 1.57 3.27 -15 -8 -1 -0.32 1.81 15 8 1 2.25 1.99 -15 -8 -1 0.77 1.94 -15 -8 -2 -0.60 1.92 -15 -8 -2 1.38 2.00 -15 -8 -2 -0.82 1.81 15 8 2 -2.14 2.05 -15 -8 -2 1.62 2.28 -15 -8 -3 1.50 1.92 -15 -8 -3 1.26 2.05 -15 -8 -3 0.38 1.85 -15 -8 -3 1.76 1.87 15 8 3 -1.84 2.23 15 8 3 2.74 2.18 15 8 3 -1.23 2.81 15 8 4 2.10 3.50 15 8 4 0.57 2.80 -15 -8 -4 -0.10 1.86 -15 -8 -4 0.19 2.04 -15 -8 -4 0.70 1.95 -15 -8 -4 -0.53 1.81 15 8 4 0.41 2.48 15 8 4 0.48 2.47 -15 -8 -4 0.12 2.28 15 8 5 -0.34 3.55 15 8 5 -0.56 2.76 -15 -8 -5 1.95 1.75 -15 -8 -5 2.58 2.06 -15 -8 -5 1.05 1.96 -15 -8 -5 2.39 1.75 15 8 5 -0.33 2.54 15 8 5 -1.34 2.42 -15 -8 -5 -2.15 2.48 15 8 6 2.30 3.40 -15 -8 -6 -1.88 2.02 -15 -8 -6 1.23 1.90 -15 -8 -6 1.51 1.72 -15 -8 -6 1.00 2.21 15 8 6 -0.94 2.85 15 8 6 3.60 2.54 -15 -8 -6 0.88 2.23 -15 -8 -7 0.13 1.90 -15 -8 -7 -0.72 1.83 15 8 7 0.24 2.26 15 8 7 -0.14 3.02 15 8 7 -0.61 3.20 -15 -8 -7 0.46 2.26 -15 -8 -8 1.51 1.74 -15 -8 -8 0.66 1.90 -15 -8 -8 0.09 1.73 15 8 8 -0.56 2.38 15 8 8 -0.34 2.88 -15 -8 -8 -0.68 2.18 15 8 9 -0.10 2.83 -15 -8 -9 -0.07 1.87 -15 -8 -9 0.20 1.56 15 8 9 -0.24 2.44 15 8 9 1.36 2.42 -15 -8 -9 0.49 1.92 15 8 10 0.54 2.82 -15 -8 -10 2.23 1.69 15 8 10 0.08 2.66 15 8 10 2.37 2.37 -15 -8 -10 0.81 1.75 15 8 11 -0.18 2.69 -15 -8 -11 -0.87 1.65 -15 -8 -11 1.82 1.59 15 8 11 0.20 2.56 15 8 11 1.37 2.07 -15 -8 -11 -0.29 1.45 -15 -8 -12 0.08 1.45 15 8 12 0.12 2.68 15 8 12 0.21 2.54 -15 -8 -13 -0.66 1.32 15 8 13 1.47 2.57 -15 -9 1 0.27 1.54 -15 -9 1 -3.78 1.75 15 9 -1 1.51 2.75 15 9 -1 2.30 2.25 -15 -9 0 0.50 1.72 -15 -9 0 -0.14 2.08 15 9 0 -0.02 1.64 15 9 0 2.41 3.03 15 9 0 1.71 2.37 -15 -9 -1 1.43 1.79 -15 -9 -1 2.27 1.88 -15 -9 -1 0.03 2.34 15 9 1 2.55 1.92 15 9 1 2.85 3.34 -15 -9 -2 5.25 1.93 -15 -9 -2 2.71 2.02 15 9 2 7.38 2.24 15 9 2 4.87 2.20 15 9 2 5.56 3.42 -15 -9 -3 -0.29 1.95 -15 -9 -3 -1.93 2.17 -15 -9 -3 -3.28 1.99 15 9 3 -1.65 2.44 15 9 3 -0.54 2.36 15 9 3 1.28 2.57 -15 -9 -4 1.88 1.87 -15 -9 -4 3.38 2.24 -15 -9 -4 2.41 1.87 15 9 4 0.27 2.68 15 9 4 4.93 2.34 15 9 4 1.53 3.64 15 9 4 0.49 2.61 -15 -9 -5 3.21 1.71 -15 -9 -5 -0.95 2.09 -15 -9 -5 -0.68 1.94 15 9 5 3.37 2.75 15 9 5 -1.01 2.44 15 9 5 -1.06 3.51 15 9 5 -2.22 2.72 15 9 6 1.13 3.32 -15 -9 -6 3.02 2.12 -15 -9 -6 4.44 1.94 15 9 6 2.37 2.75 15 9 6 2.79 2.40 -15 -9 -6 2.60 2.37 -15 -9 -7 -0.34 1.81 -15 -9 -7 -0.16 1.79 15 9 7 0.98 2.20 15 9 7 0.23 2.78 15 9 7 -1.56 3.29 -15 -9 -7 1.11 2.09 -15 -9 -8 2.12 1.69 -15 -9 -8 -0.10 1.91 -15 -9 -8 0.93 1.63 15 9 8 -0.11 2.39 15 9 8 1.71 3.03 -15 -9 -8 -0.03 1.94 15 9 9 0.93 2.67 -15 -9 -9 0.13 1.86 15 9 9 -0.12 2.52 15 9 9 -0.62 3.19 15 9 9 1.62 2.38 -15 -9 -9 0.93 1.89 15 9 10 -0.09 2.58 -15 -9 -10 -0.63 1.73 15 9 10 0.32 2.52 15 9 10 -0.09 3.03 15 9 10 2.26 2.24 -15 -9 -10 0.53 1.61 -15 -9 -11 0.57 1.54 15 9 11 1.45 2.64 15 9 11 0.67 2.79 15 9 11 0.24 2.45 -15 -9 -12 0.52 1.36 15 9 12 -0.34 2.58 15 9 13 1.06 2.53 -15 -10 0 -0.17 1.67 -15 -10 0 0.02 1.80 15 10 0 -0.48 1.82 15 10 0 -0.75 2.63 -15 -10 -1 -0.86 1.80 -15 -10 -1 0.97 1.74 -15 -10 -1 0.05 2.04 15 10 1 -1.11 1.81 15 10 1 0.93 2.85 -15 -10 -2 0.18 1.81 -15 -10 -2 -1.27 1.95 15 10 2 -1.88 2.20 15 10 2 2.05 2.08 15 10 2 -1.05 3.15 -15 -10 -3 -1.77 1.90 -15 -10 -3 -1.43 2.17 -15 -10 -3 1.19 1.74 15 10 3 -2.23 2.47 15 10 3 0.71 2.27 15 10 3 0.14 2.50 -15 -10 -4 -0.03 1.83 -15 -10 -4 1.63 2.04 -15 -10 -4 -1.16 1.90 15 10 4 1.23 2.59 15 10 4 0.18 2.14 15 10 4 1.35 2.68 -15 -10 -5 1.13 1.64 -15 -10 -5 1.04 2.01 -15 -10 -5 -0.81 1.89 15 10 5 -3.10 2.87 15 10 5 -0.42 2.46 15 10 5 -2.93 3.55 -15 -10 -6 2.89 1.88 -15 -10 -6 1.99 1.81 15 10 6 -0.38 2.15 15 10 6 0.57 2.79 15 10 6 0.69 2.26 15 10 6 -0.72 3.39 -15 -10 -7 -2.11 1.78 -15 -10 -7 -2.25 1.69 15 10 7 -0.72 2.25 15 10 7 -0.36 2.79 15 10 7 -0.73 3.14 -15 -10 -7 3.15 2.19 -15 -10 -8 -0.36 1.85 15 10 8 0.14 2.35 15 10 8 1.49 3.11 15 10 8 -3.01 2.45 -15 -10 -8 0.35 1.91 -15 -10 -9 0.70 1.77 15 10 9 -1.22 2.52 15 10 9 0.27 3.07 -15 -10 -9 1.25 1.74 15 10 9 -0.42 2.31 15 10 10 3.52 2.14 15 10 10 0.71 2.49 15 10 10 -0.17 2.94 -15 -10 -11 1.74 1.40 15 10 11 1.10 2.35 15 10 11 -0.08 2.71 15 10 12 0.94 2.36 -15 -11 -1 1.42 1.75 -15 -11 -1 3.01 1.78 15 11 1 -0.12 2.03 15 11 1 0.80 3.02 -15 -11 -2 3.37 1.79 -15 -11 -2 1.18 1.97 -15 -11 -2 0.14 1.86 15 11 2 2.14 2.30 15 11 2 1.05 3.19 -15 -11 -3 0.91 1.78 -15 -11 -3 1.00 1.94 15 11 3 -0.58 2.54 15 11 3 0.53 2.11 15 11 3 0.05 3.32 15 11 4 8.72 2.29 -15 -11 -4 6.41 1.79 -15 -11 -4 6.33 2.11 15 11 4 1.79 2.51 -15 -11 -5 0.70 1.91 15 11 5 1.50 2.64 15 11 5 2.05 2.29 15 11 5 -1.39 3.40 -15 -11 -6 0.03 1.76 15 11 6 3.57 2.19 15 11 6 0.58 3.30 15 11 6 0.52 2.05 15 11 6 0.04 2.85 15 11 7 -1.09 3.25 -15 -11 -7 0.50 1.88 15 11 7 -0.18 2.11 15 11 7 1.01 2.95 15 11 8 0.25 2.99 15 11 8 -2.17 2.22 -15 -11 -8 0.72 1.78 15 11 8 0.53 2.24 15 11 8 0.38 2.65 15 11 9 0.48 2.33 15 11 9 0.25 2.81 15 11 9 -1.48 1.96 15 11 10 -1.74 2.38 15 11 10 0.87 2.70 15 11 11 1.03 2.38 15 11 11 -0.27 1.70 15 12 2 -0.28 2.12 15 12 2 -0.60 2.94 15 12 3 0.77 2.30 15 12 3 0.72 2.25 15 12 3 -1.37 3.13 -15 -12 -4 1.00 1.86 15 12 4 -0.03 2.40 15 12 5 -0.40 2.64 15 12 6 -2.10 3.15 15 12 6 -0.62 1.94 15 12 6 -2.30 2.82 15 12 7 -1.24 3.08 15 12 7 -0.33 2.11 15 12 7 0.76 2.62 15 12 8 0.11 2.83 15 12 8 1.13 2.15 15 12 8 -2.56 2.43 15 12 9 -0.03 2.15 15 12 9 -1.05 2.36 15 12 9 -0.04 2.57 16 5 5 -2.17 1.93 16 5 5 0.68 1.50 -16 -5 -5 0.91 1.57 16 5 6 -0.24 2.03 -16 -5 -6 0.38 1.54 -16 -5 -6 0.90 1.82 16 5 7 -0.79 2.00 -16 -5 -7 -0.10 1.52 -16 -5 -7 0.41 1.90 16 5 8 -1.51 1.61 -16 -5 -8 -0.15 1.48 -16 -5 -8 0.11 2.03 16 5 9 -0.07 1.79 -16 -5 -9 -0.12 2.03 16 5 9 0.32 2.22 16 5 9 -0.69 1.94 16 5 9 0.71 1.49 -16 -6 -4 -0.07 1.71 16 6 4 0.94 1.83 16 6 4 -0.71 2.56 16 6 4 0.88 2.06 -16 -6 -5 2.52 1.53 -16 -6 -5 -0.06 1.55 16 6 6 14.39 2.16 16 6 7 -0.04 1.75 -16 -6 -7 1.18 1.84 16 6 7 0.69 2.06 16 6 7 -0.70 1.75 -16 -6 -7 2.34 1.64 -16 -6 -8 -0.36 1.28 16 6 8 1.00 1.67 -16 -6 -8 0.84 1.41 16 6 8 0.73 1.98 -16 -6 -8 -0.47 2.04 -16 -6 -9 1.50 2.02 16 6 9 -0.48 1.99 16 6 9 0.04 2.27 16 6 9 0.03 1.92 -16 -7 -4 1.61 1.64 16 7 4 1.71 1.87 16 7 4 -1.86 2.62 16 7 4 0.79 2.10 16 7 5 2.57 2.65 16 7 5 -0.94 2.03 -16 -7 -5 -0.17 1.68 -16 -7 -5 -1.31 1.50 16 7 6 0.23 1.83 16 7 6 0.74 2.05 -16 -7 -6 0.22 1.57 -16 -7 -6 1.22 1.45 16 7 7 0.37 1.92 -16 -7 -7 0.38 1.81 -16 -7 -7 -1.71 1.64 16 7 7 4.30 2.03 -16 -7 -8 2.26 1.62 16 7 8 2.12 2.08 -16 -7 -8 2.23 1.96 16 7 9 1.49 2.05 -16 -7 -9 -0.27 1.97 16 7 9 0.58 2.16 -16 -8 -4 -0.78 1.38 16 8 4 1.68 1.84 16 8 4 3.66 2.78 16 8 4 -0.71 2.11 16 8 5 -1.53 2.70 16 8 5 -0.02 1.69 -16 -8 -5 -0.34 1.66 16 8 5 0.61 2.01 16 8 6 -0.05 1.99 -16 -8 -6 0.17 1.70 16 8 6 4.81 2.13 16 8 7 0.09 2.07 16 8 7 1.13 2.13 -16 -8 -7 0.59 1.54 16 8 9 1.41 1.86 -16 -8 -9 0.14 1.72 16 8 9 0.95 1.61 16 8 9 -0.06 2.25 -16 -8 -9 0.30 1.30 16 9 5 0.05 1.91 16 9 5 1.06 2.68 16 9 5 -1.66 2.02 16 9 6 -1.94 2.10 16 9 6 1.87 2.73 16 9 6 3.91 2.09 16 9 7 -1.53 2.09 16 9 7 -0.44 2.20 16 9 8 0.77 2.30 0 0 0 0.00 0.00 TITL JoKr018_v2_abs in P-1 REM P-1 (#2 in standard setting) CELL 1.54184 13.546565 15.538011 18.583875 87.4059 72.1226 67.8040 ZERR 2.00 0.000469 0.000597 0.000609 0.0029 0.0030 0.0034 LATT 1 SFAC C H B N O K UNIT 188.00 256.00 2.00 2.00 32.00 4.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 96891 _olex2_date_sample_data_collection 2019-10-14 _olex2_date_sample_submission 2019-10-14 _olex2_exptl_crystal_mounting_method ; The crystal was immersed in a film of perfluoropolyether oil, mounted on a polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold nitrogen (Oxford Cryostream 800). ; _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.561 _oxdiff_exptl_absorpt_empirical_full_min 0.664 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group B1A B 0.6671(13) 0.1931(10) 0.1974(8) 0.060(2) Uani 0.559(12) 1 d . U P A 1 B1B B 0.6713(16) 0.1760(13) 0.1825(10) 0.060(2) Uani 0.441(12) 1 d . . P A 2 C1_1 C -0.0971(4) 0.6518(3) 0.4255(2) 0.0789(12) Uani 1 1 d . . . . . C2_1 C -0.1242(5) 0.7462(3) 0.4248(3) 0.0984(16) Uani 1 1 d . . . . . H2_1 H -0.066993 0.770662 0.410509 0.118 Uiso 1 1 calc R . . . . C3_1 C -0.2419(6) 0.8083(4) 0.4461(3) 0.1021(18) Uani 1 1 d . . . . . H3_1 H -0.261526 0.873816 0.447139 0.123 Uiso 1 1 calc R . . . . C4_1 C -0.3249(6) 0.7735(5) 0.4649(3) 0.1072(18) Uani 1 1 d . . . . . C5_1 C -0.2961(5) 0.6807(5) 0.4665(3) 0.1029(17) Uani 1 1 d . . . . . H5_1 H -0.353244 0.656118 0.480679 0.123 Uiso 1 1 calc R . . . . C6_1 C -0.1840(4) 0.6200(4) 0.4477(3) 0.0916(15) Uani 1 1 d . . . . . H6_1 H -0.166495 0.554883 0.450244 0.110 Uiso 1 1 calc R . . . . C7_1 C -0.4473(6) 0.8411(5) 0.4848(4) 0.138(2) Uani 1 1 d . U . . . H7A_1 H -0.480902 0.828668 0.448750 0.207 Uiso 1 1 calc GR . . . . H7B_1 H -0.450775 0.905282 0.482237 0.207 Uiso 1 1 calc GR . . . . H7C_1 H -0.488641 0.832729 0.536288 0.207 Uiso 1 1 calc GR . . . . C1_2 C 0.0991(4) 0.5982(3) 0.4266(2) 0.0752(11) Uani 1 1 d . . . . . C2_2 C 0.2065(5) 0.5815(4) 0.3795(3) 0.0973(16) Uani 1 1 d . . . . . H2_2 H 0.225967 0.561392 0.327664 0.117 Uiso 1 1 calc R . . . . C3_2 C 0.2858(5) 0.5929(4) 0.4049(3) 0.1002(16) Uani 1 1 d . . . . . H3_2 H 0.359113 0.579136 0.370479 0.120 Uiso 1 1 calc R . . . . C4_2 C 0.2629(5) 0.6235(4) 0.4786(3) 0.0897(14) Uani 1 1 d . . . . . C5_2 C 0.1563(5) 0.6409(4) 0.5258(3) 0.0939(15) Uani 1 1 d . . . . . H5_2 H 0.137439 0.662282 0.577149 0.113 Uiso 1 1 calc R . . . . C6_2 C 0.0748(5) 0.6287(3) 0.5019(3) 0.0887(14) Uani 1 1 d . . . . . H6_2 H 0.002182 0.641022 0.536889 0.106 Uiso 1 1 calc R . . . . C7_2 C 0.3528(6) 0.6356(4) 0.5046(3) 0.1102(18) Uani 1 1 d . . . . . H7A_2 H 0.402591 0.574835 0.514550 0.165 Uiso 1 1 calc GR . . . . H7B_2 H 0.317385 0.677387 0.551191 0.165 Uiso 1 1 calc GR . . . . H7C_2 H 0.396598 0.662566 0.465011 0.165 Uiso 1 1 calc GR . . . . N1_3 N 0.0174(3) 0.5850(2) 0.40190(19) 0.0767(10) Uani 1 1 d . . . . . C2_3 C 0.0017(3) 0.5536(3) 0.2784(2) 0.0660(10) Uani 1 1 d . . . . . H2_3 H -0.056003 0.613723 0.284186 0.079 Uiso 1 1 calc R . . . . C3_3 C 0.0349(3) 0.4948(3) 0.2124(2) 0.0611(9) Uani 1 1 d . . . . . C4_3 C 0.1253(3) 0.4063(2) 0.2003(2) 0.0572(9) Uani 1 1 d . . . . . C5_3 C 0.1708(3) 0.3784(3) 0.2614(2) 0.0629(9) Uani 1 1 d . . . . . H5_3 H 0.228554 0.318532 0.256980 0.075 Uiso 1 1 calc R . . . . C6_3 C 0.1338(3) 0.4354(3) 0.3261(2) 0.0685(10) Uani 1 1 d . . . . . H6_3 H 0.164580 0.413569 0.366172 0.082 Uiso 1 1 calc R . . . . C7_3 C -0.0222(3) 0.5211(3) 0.1569(2) 0.0661(10) Uani 1 1 d . . . . . H7_3 H -0.079003 0.581629 0.161891 0.079 Uiso 1 1 calc R . . . . C8_3 C 0.0032(3) 0.4616(3) 0.0982(2) 0.0663(10) Uani 1 1 d . . . . . H8_3 H -0.039111 0.480020 0.063777 0.080 Uiso 1 1 calc R . . . . C9_3 C 0.0917(3) 0.3711(3) 0.0851(2) 0.0603(9) Uani 1 1 d . . . . . C10_3 C 0.1613(3) 0.3478(2) 0.13235(19) 0.0550(8) Uani 1 1 d . . . . . C11_3 C 0.1063(3) 0.3035(3) 0.0291(2) 0.0711(11) Uani 1 1 d . . . . . H11_3 H 0.070386 0.321719 -0.008891 0.085 Uiso 1 1 calc R . . . . C12_3 C 0.1732(3) 0.2111(3) 0.0308(2) 0.0715(11) Uani 1 1 d . . . . . H12_3 H 0.165599 0.163475 0.005297 0.086 Uiso 1 1 calc R . . . . C13_3 C 0.2525(3) 0.1873(3) 0.0701(2) 0.0601(9) Uani 1 1 d . . . . . C14_3 C 0.2601(3) 0.2593(2) 0.11147(19) 0.0563(9) Uani 1 1 d . . . . . C15_3 C 0.3353(3) 0.0950(3) 0.0631(2) 0.0667(10) Uani 1 1 d . . . . . H15_3 H 0.328024 0.045605 0.039631 0.080 Uiso 1 1 calc R . . . . C16_3 C 0.4242(3) 0.0762(3) 0.0893(2) 0.0689(10) Uani 1 1 d . . . . . H16_3 H 0.494506 0.031531 0.052504 0.083 Uiso 1 1 calc R . . . . C17_3 C 0.4451(3) 0.1492(2) 0.1185(2) 0.0597(9) Uani 1 1 d . . . . . C18_3 C 0.3616(3) 0.2426(2) 0.12679(19) 0.0545(8) Uani 1 1 d . . . . . C19_3 C 0.5422(3) 0.1320(3) 0.1375(2) 0.0665(10) Uani 1 1 d . . . . . H19_3 H 0.593165 0.069133 0.133603 0.080 Uiso 1 1 calc R . . . . C20_3 C 0.5702(3) 0.2025(3) 0.1625(2) 0.0653(10) Uani 1 1 d . . . . . C21_3 C 0.4916(3) 0.2955(3) 0.1601(2) 0.0632(9) Uani 1 1 d . . . . . H21_3 H 0.509606 0.346433 0.169591 0.076 Uiso 1 1 calc R . . B . C22_3 C 0.3938(3) 0.3149(3) 0.1452(2) 0.0593(9) Uani 1 1 d . . . . . H22_3 H 0.345077 0.378198 0.147022 0.071 Uiso 1 1 calc R . . B . C1_3 C 0.0508(3) 0.5260(3) 0.3343(2) 0.0675(10) Uani 1 1 d . . . . . K1_4 K 0.33353(9) -0.02430(8) 0.22505(6) 0.0942(4) Uani 1 1 d . . . . . C1_4 C 0.5811(6) -0.0871(5) 0.2843(4) 0.1301(16) Uani 1 1 d . U . . . H1A_4 H 0.663042 -0.106468 0.273627 0.156 Uiso 1 1 calc R . . . . H1B_4 H 0.554338 -0.124051 0.324883 0.156 Uiso 1 1 calc R . . . . O2_4 O 0.4078(4) 0.0400(3) 0.3291(2) 0.1105(10) Uani 1 1 d . U . . . C2_4 C 0.5241(6) 0.0130(5) 0.3100(4) 0.1234(15) Uani 1 1 d . U . . . H2A_4 H 0.543572 0.025140 0.354623 0.148 Uiso 1 1 calc R . . . . H2B_4 H 0.549912 0.050035 0.269063 0.148 Uiso 1 1 calc R . . . . O3_4 O 0.1982(3) 0.1437(3) 0.3065(2) 0.1087(11) Uani 1 1 d . U . . . C3_4 C 0.3508(6) 0.1395(5) 0.3420(3) 0.1170(14) Uani 1 1 d . U . . . H3A_4 H 0.373137 0.168881 0.294642 0.140 Uiso 1 1 calc R . . . . H3B_4 H 0.372302 0.162806 0.381190 0.140 Uiso 1 1 calc R . . . . O4_4 O 0.1070(3) 0.0475(3) 0.2365(2) 0.1193(12) Uani 1 1 d . U . . . C4_4 C 0.2278(6) 0.1648(5) 0.3674(3) 0.1196(15) Uani 1 1 d . U . . . H4A_4 H 0.206172 0.129134 0.410810 0.143 Uiso 1 1 calc R . . . . H4B_4 H 0.188263 0.232102 0.383804 0.143 Uiso 1 1 calc R . . . . O5_4 O 0.2648(3) -0.0968(3) 0.1239(2) 0.1072(10) Uani 1 1 d . U . . . C5_4 C 0.0808(6) 0.1703(5) 0.3225(4) 0.1336(18) Uani 1 1 d . U . . . H5A_4 H 0.042755 0.238879 0.332767 0.160 Uiso 1 1 calc R . . . . H5B_4 H 0.050975 0.141263 0.368201 0.160 Uiso 1 1 calc R . . . . O6_4 O 0.4805(4) -0.1942(2) 0.1338(2) 0.1089(10) Uani 1 1 d . U . . . C7_4 C 0.0830(5) 0.0162(5) 0.1737(4) 0.1174(16) Uani 1 1 d . U . . . H7A_4 H 0.002802 0.025243 0.189031 0.141 Uiso 1 1 calc R . . . . H7B_4 H 0.097690 0.053828 0.130221 0.141 Uiso 1 1 calc R . . . . C8_4 C 0.1525(6) -0.0818(5) 0.1507(4) 0.1231(17) Uani 1 1 d . U . . . H8A_4 H 0.139085 -0.119105 0.194638 0.148 Uiso 1 1 calc R . . . . H8B_4 H 0.130806 -0.103051 0.110606 0.148 Uiso 1 1 calc R . . . . C9_4 C 0.3373(6) -0.1902(4) 0.0902(3) 0.1060(13) Uani 1 1 d . U . . . H9A_4 H 0.319599 -0.202077 0.044700 0.127 Uiso 1 1 calc R . . . . H9B_4 H 0.323823 -0.235933 0.126836 0.127 Uiso 1 1 calc R . . . . C10_4 C 0.4545(6) -0.2021(4) 0.0690(4) 0.1170(15) Uani 1 1 d . U . . . H10A_4 H 0.502895 -0.264123 0.041645 0.140 Uiso 1 1 calc R . . . . H10B_4 H 0.467514 -0.153863 0.035006 0.140 Uiso 1 1 calc R . . . . C11_4 C 0.5965(6) -0.2080(5) 0.1169(5) 0.1313(16) Uani 1 1 d . U . . . H11A_4 H 0.613679 -0.162264 0.081525 0.158 Uiso 1 1 calc R . . . . H11B_4 H 0.644821 -0.271413 0.092129 0.158 Uiso 1 1 calc R . . . . C12_4 C 0.6188(6) -0.1965(5) 0.1858(5) 0.1330(16) Uani 1 1 d . U . . . H12A_4 H 0.597014 -0.239512 0.222373 0.160 Uiso 1 1 calc R . . . . H12B_4 H 0.700119 -0.211933 0.174996 0.160 Uiso 1 1 calc R . . . . C6_4 C 0.0583(5) 0.1399(5) 0.2567(4) 0.1291(17) Uani 1 1 d . U . . . H6A_4 H -0.023917 0.159412 0.268686 0.155 Uiso 1 1 calc R . . . . H6B_4 H 0.084148 0.172933 0.212639 0.155 Uiso 1 1 calc R . . . . O1_4 O 0.5586(3) -0.1053(3) 0.2168(3) 0.1159(11) Uani 1 1 d . U . . . K1_8 K 0.49601(13) 0.43911(13) 0.02198(9) 0.0675(5) Uani 0.5 1 d . . P B -1 O1_8 O 0.2705(5) 0.5356(4) 0.0467(4) 0.0553(15) Uani 0.5 1 d . U P B -1 O2_8 O 0.4042(4) 0.4262(4) -0.0908(3) 0.0686(14) Uani 0.5 1 d . U P B -1 O3_8 O 0.6303(9) 0.4108(6) -0.1398(6) 0.068(2) Uani 0.5 1 d . U P B -1 O4_8 O 0.7264(4) 0.3795(4) -0.0300(3) 0.0764(15) Uani 0.5 1 d . U P B -1 O5_8 O 0.5973(5) 0.4905(5) 0.1100(4) 0.0699(16) Uani 0.5 1 d . U P B -1 O6_8 O 0.3949(8) 0.5471(6) 0.1275(5) 0.064(2) Uani 0.5 1 d . U P B -1 C1_8 C 0.2271(6) 0.5429(6) -0.0140(5) 0.0632(19) Uani 0.5 1 d . U P B -1 H1A_8 H 0.239612 0.593493 -0.045117 0.076 Uiso 0.5 1 calc R . P B -1 H1B_8 H 0.145390 0.557580 0.005494 0.076 Uiso 0.5 1 calc R . P B -1 C2_8 C 0.2858(6) 0.4518(6) -0.0611(5) 0.067(2) Uani 0.5 1 d . U P B -1 H2A_8 H 0.270095 0.402464 -0.029810 0.080 Uiso 0.5 1 calc R . P B -1 H2B_8 H 0.255292 0.455879 -0.103781 0.080 Uiso 0.5 1 calc R . P B -1 C3_8 C 0.4373(12) 0.4723(11) -0.1541(9) 0.070(3) Uani 0.5 1 d . U P B -1 H3A_8 H 0.411391 0.539291 -0.138543 0.084 Uiso 0.5 1 calc R . P B -1 H3B_8 H 0.400376 0.467029 -0.191258 0.084 Uiso 0.5 1 calc R . P B -1 C4_8 C 0.582(3) 0.428(3) -0.198(2) 0.072(6) Uani 0.5 1 d . U P B -1 H4A_8 H 0.606187 0.369873 -0.229574 0.087 Uiso 0.5 1 calc R . P B -1 H4B_8 H 0.604483 0.473978 -0.230545 0.087 Uiso 0.5 1 calc R . P B -1 C5_8 C 0.7295(12) 0.4227(10) -0.1531(9) 0.072(4) Uani 0.5 1 d . U P B -1 H5A_8 H 0.726505 0.477239 -0.183339 0.086 Uiso 0.5 1 calc R . P B -1 H5B_8 H 0.790934 0.367282 -0.184484 0.086 Uiso 0.5 1 calc R . P B -1 C6_8 C 0.7579(10) 0.4365(10) -0.0858(7) 0.070(3) Uani 0.5 1 d . U P B -1 H6A_8 H 0.839653 0.420903 -0.099577 0.084 Uiso 0.5 1 calc R . P B -1 H6B_8 H 0.718349 0.502748 -0.065760 0.084 Uiso 0.5 1 calc R . P B -1 C7_8 C 0.7672(8) 0.3763(8) 0.0326(6) 0.091(3) Uani 0.5 1 d . U P B -1 H7A_8 H 0.849394 0.359168 0.013304 0.110 Uiso 0.5 1 calc R . P B -1 H7B_8 H 0.752794 0.326959 0.064666 0.110 Uiso 0.5 1 calc R . P B -1 C8_8 C 0.7128(8) 0.4686(8) 0.0812(6) 0.088(3) Uani 0.5 1 d . U P B -1 H8A_8 H 0.744608 0.463201 0.123363 0.105 Uiso 0.5 1 calc R . P B -1 H8B_8 H 0.727695 0.518492 0.050162 0.105 Uiso 0.5 1 calc R . P B -1 C9_8 C 0.5358(14) 0.5703(9) 0.1679(9) 0.073(4) Uani 0.5 1 d . U P B -1 H9A_8 H 0.565067 0.561037 0.211526 0.087 Uiso 0.5 1 calc R . P B -1 H9B_8 H 0.534998 0.629990 0.146499 0.087 Uiso 0.5 1 calc R . P B -1 C10_8 C 0.439(3) 0.564(3) 0.185(2) 0.072(6) Uani 0.5 1 d . U P B -1 H10A_8 H 0.383442 0.622544 0.214691 0.087 Uiso 0.5 1 calc R . P B -1 H10B_8 H 0.441010 0.513401 0.219344 0.087 Uiso 0.5 1 calc R . P B -1 C11_8 C 0.2612(11) 0.5985(10) 0.1643(8) 0.060(3) Uani 0.5 1 d . U P B -1 H11A_8 H 0.231298 0.558396 0.200003 0.072 Uiso 0.5 1 calc R . P B -1 H11B_8 H 0.242774 0.657813 0.192684 0.072 Uiso 0.5 1 calc R . P B -1 C12_8 C 0.2091(7) 0.6174(7) 0.1009(5) 0.061(2) Uani 0.5 1 d . U P B -1 H12A_8 H 0.128638 0.627406 0.120998 0.074 Uiso 0.5 1 calc R . P B -1 H12B_8 H 0.215783 0.673703 0.076330 0.074 Uiso 0.5 1 calc R . P B -1 O1_5 O 0.2403(10) -0.1147(9) 0.3413(6) 0.188(3) Uani 0.660(8) 1 d D U P C 1 C2_5 C 0.2725(13) -0.1296(13) 0.4127(9) 0.188(3) Uani 0.660(8) 1 d D U P C 1 H2A_5 H 0.323095 -0.195312 0.412304 0.225 Uiso 0.660(8) 1 calc R . P C 1 H2B_5 H 0.311911 -0.088819 0.417008 0.225 Uiso 0.660(8) 1 calc R . P C 1 C3_5 C 0.1721(13) -0.1076(13) 0.4740(9) 0.186(3) Uani 0.660(8) 1 d D U P C 1 H3A_5 H 0.144146 -0.041982 0.494305 0.223 Uiso 0.660(8) 1 calc R . P C 1 H3B_5 H 0.184902 -0.148679 0.515301 0.223 Uiso 0.660(8) 1 calc R . P C 1 C4_5 C 0.0871(13) -0.1228(13) 0.4423(9) 0.184(3) Uani 0.660(8) 1 d D U P C 1 H4A_5 H 0.079281 -0.182585 0.456614 0.221 Uiso 0.660(8) 1 calc R . P C 1 H4B_5 H 0.012555 -0.071354 0.461046 0.221 Uiso 0.660(8) 1 calc R . P C 1 C5_5 C 0.1344(14) -0.1242(14) 0.3620(10) 0.186(3) Uani 0.660(8) 1 d D U P C 1 H5A_5 H 0.081644 -0.072681 0.342671 0.223 Uiso 0.660(8) 1 calc R . P C 1 H5B_5 H 0.144272 -0.183631 0.337864 0.223 Uiso 0.660(8) 1 calc R . P C 1 O1_15 O 0.3310(16) -0.1435(15) 0.3553(12) 0.187(3) Uani 0.340(8) 1 d D U P C 2 C2_15 C 0.249(2) -0.084(2) 0.4267(15) 0.188(3) Uani 0.340(8) 1 d D U P C 2 H2A_15 H 0.275042 -0.105410 0.470967 0.225 Uiso 0.340(8) 1 calc R . P C 2 H2B_15 H 0.237450 -0.017985 0.421636 0.225 Uiso 0.340(8) 1 calc R . P C 2 C4_15 C 0.168(3) -0.166(2) 0.3703(19) 0.186(3) Uani 0.340(8) 1 d D U P C 2 H4A_15 H 0.149093 -0.219815 0.391095 0.224 Uiso 0.340(8) 1 calc R . P C 2 H4B_15 H 0.121803 -0.135383 0.337482 0.224 Uiso 0.340(8) 1 calc R . P C 2 C3_15 C 0.149(2) -0.098(2) 0.4343(18) 0.187(3) Uani 0.340(8) 1 d D U P C 2 H3A_15 H 0.089119 -0.037228 0.432562 0.225 Uiso 0.340(8) 1 calc R . P C 2 H3B_15 H 0.124688 -0.122161 0.483894 0.225 Uiso 0.340(8) 1 calc R . P C 2 C5_15 C 0.282(2) -0.196(2) 0.3296(16) 0.187(3) Uani 0.340(8) 1 d D U P C 2 H5A_15 H 0.291427 -0.188565 0.275020 0.224 Uiso 0.340(8) 1 calc R . P C 2 H5B_15 H 0.320412 -0.262677 0.335813 0.224 Uiso 0.340(8) 1 calc R . P C 2 C1_6 C 0.7522(7) 0.0912(6) 0.2005(5) 0.057(2) Uani 0.559(12) 1 d D U P A 1 C2_6 C 0.8084(8) 0.0254(6) 0.1371(6) 0.062(2) Uani 0.559(12) 1 d D U P A 1 C3_6 C 0.8731(7) -0.0689(5) 0.1424(6) 0.064(2) Uani 0.559(12) 1 d D U P A 1 H3_6 H 0.910799 -0.110954 0.098166 0.077 Uiso 0.559(12) 1 calc R . P A 1 C4_6 C 0.8817(8) -0.1001(6) 0.2117(6) 0.063(2) Uani 0.559(12) 1 d D U P A 1 C5_6 C 0.8328(7) -0.0347(6) 0.2745(6) 0.066(2) Uani 0.559(12) 1 d D U P A 1 H5_6 H 0.842840 -0.054385 0.321776 0.079 Uiso 0.559(12) 1 calc R . P A 1 C6_6 C 0.7699(7) 0.0580(6) 0.2693(6) 0.057(2) Uani 0.559(12) 1 d D U P A 1 C7_6 C 0.8128(14) 0.0513(11) 0.0577(7) 0.078(4) Uani 0.559(12) 1 d D U P A 1 H7A_6 H 0.888225 0.048640 0.029571 0.117 Uiso 0.559(12) 1 calc GR . P A 1 H7B_6 H 0.757805 0.114625 0.059224 0.117 Uiso 0.559(12) 1 calc GR . P A 1 H7C_6 H 0.795347 0.007432 0.032379 0.117 Uiso 0.559(12) 1 calc GR . P A 1 C8_6 C 0.9452(8) -0.2025(6) 0.2203(7) 0.084(3) Uani 0.559(12) 1 d D U P A 1 H8A_6 H 0.959158 -0.240161 0.174639 0.126 Uiso 0.559(12) 1 calc GR . P A 1 H8B_6 H 0.900319 -0.222700 0.264555 0.126 Uiso 0.559(12) 1 calc GR . P A 1 H8C_6 H 1.016986 -0.210349 0.227065 0.126 Uiso 0.559(12) 1 calc GR . P A 1 C9_6 C 0.7167(9) 0.1235(8) 0.3418(6) 0.075(3) Uani 0.559(12) 1 d D U P A 1 H9A_6 H 0.754043 0.167481 0.337694 0.113 Uiso 0.559(12) 1 calc GR . P A 1 H9B_6 H 0.725408 0.086874 0.385419 0.113 Uiso 0.559(12) 1 calc GR . P A 1 H9C_6 H 0.636723 0.158090 0.348777 0.113 Uiso 0.559(12) 1 calc GR . P A 1 C1_16 C 0.7618(10) 0.0701(8) 0.1791(7) 0.055(3) Uani 0.441(12) 1 d . U P A 2 C2_16 C 0.8206(10) 0.0128(7) 0.1102(8) 0.060(3) Uani 0.441(12) 1 d . U P A 2 C3_16 C 0.8909(9) -0.0811(7) 0.1096(7) 0.066(3) Uani 0.441(12) 1 d . U P A 2 H3_16 H 0.928360 -0.118744 0.062997 0.079 Uiso 0.441(12) 1 calc R . P A 2 C4_16 C 0.9063(10) -0.1194(7) 0.1760(8) 0.073(3) Uani 0.441(12) 1 d . U P A 2 C5_16 C 0.8548(10) -0.0645(8) 0.2434(8) 0.063(3) Uani 0.441(12) 1 d . U P A 2 H5_16 H 0.867513 -0.089798 0.288758 0.076 Uiso 0.441(12) 1 calc R . P A 2 C6_16 C 0.7835(9) 0.0288(8) 0.2450(7) 0.065(3) Uani 0.441(12) 1 d . U P A 2 C7_16 C 0.8133(17) 0.0473(13) 0.0355(8) 0.072(4) Uani 0.441(12) 1 d . U P A 2 H7A_16 H 0.883508 0.012237 -0.004201 0.108 Uiso 0.441(12) 1 calc GR . P A 2 H7B_16 H 0.800780 0.113680 0.036260 0.108 Uiso 0.441(12) 1 calc GR . P A 2 H7C_16 H 0.750715 0.038774 0.025168 0.108 Uiso 0.441(12) 1 calc GR . P A 2 C8_16 C 0.9815(11) -0.2217(7) 0.1757(9) 0.085(4) Uani 0.441(12) 1 d . U P A 2 H8A_16 H 1.047971 -0.238823 0.130518 0.128 Uiso 0.441(12) 1 calc GR . P A 2 H8B_16 H 0.939876 -0.261084 0.175016 0.128 Uiso 0.441(12) 1 calc GR . P A 2 H8C_16 H 1.005018 -0.230598 0.221287 0.128 Uiso 0.441(12) 1 calc GR . P A 2 C9_16 C 0.7329(11) 0.0877(10) 0.3208(7) 0.069(3) Uani 0.441(12) 1 d . U P A 2 H9A_16 H 0.771652 0.129937 0.319843 0.104 Uiso 0.441(12) 1 calc GR . P A 2 H9B_16 H 0.741730 0.046654 0.361949 0.104 Uiso 0.441(12) 1 calc GR . P A 2 H9C_16 H 0.652919 0.124221 0.329110 0.104 Uiso 0.441(12) 1 calc GR . P A 2 C1_7 C 0.6763(8) 0.2816(7) 0.2327(6) 0.059(3) Uani 0.559(12) 1 d . U P A 1 C2_7 C 0.5893(8) 0.3444(7) 0.2919(5) 0.057(3) Uani 0.559(12) 1 d . U P A 1 C3_7 C 0.6034(9) 0.4210(7) 0.3186(6) 0.073(3) Uani 0.559(12) 1 d . U P A 1 H3_7 H 0.542698 0.465248 0.356322 0.088 Uiso 0.559(12) 1 calc R . P A 1 C4_7 C 0.7030(10) 0.4327(8) 0.2911(6) 0.076(3) Uani 0.559(12) 1 d . U P A 1 C5_7 C 0.7911(11) 0.3687(8) 0.2359(8) 0.086(3) Uani 0.559(12) 1 d . U P A 1 H5_7 H 0.860610 0.376556 0.217465 0.103 Uiso 0.559(12) 1 calc R . P A 1 C6_7 C 0.7801(9) 0.2939(8) 0.2072(7) 0.087(4) Uani 0.559(12) 1 d . U P A 1 C7_7 C 0.4816(12) 0.3333(11) 0.3284(11) 0.075(4) Uani 0.559(12) 1 d . U P A 1 H7A_7 H 0.457956 0.348766 0.383227 0.112 Uiso 0.559(12) 1 calc GR . P A 1 H7B_7 H 0.491249 0.268682 0.318886 0.112 Uiso 0.559(12) 1 calc GR . P A 1 H7C_7 H 0.424299 0.375237 0.307436 0.112 Uiso 0.559(12) 1 calc GR . P A 1 C8_7 C 0.7177(12) 0.5145(9) 0.3223(8) 0.100(4) Uani 0.559(12) 1 d . U P A 1 H8A_7 H 0.788543 0.491994 0.334166 0.151 Uiso 0.559(12) 1 calc GR . P A 1 H8B_7 H 0.655122 0.543819 0.368501 0.151 Uiso 0.559(12) 1 calc GR . P A 1 H8C_7 H 0.719032 0.560209 0.284314 0.151 Uiso 0.559(12) 1 calc GR . P A 1 C9_7 C 0.8798(11) 0.2244(10) 0.1444(9) 0.123(5) Uani 0.559(12) 1 d . U P A 1 H9A_7 H 0.941506 0.246570 0.128829 0.184 Uiso 0.559(12) 1 calc GR . P A 1 H9B_7 H 0.855676 0.219701 0.100643 0.184 Uiso 0.559(12) 1 calc GR . P A 1 H9C_7 H 0.905463 0.162914 0.163949 0.184 Uiso 0.559(12) 1 calc GR . P A 1 C1_17 C 0.6907(10) 0.2583(9) 0.2150(7) 0.056(3) Uani 0.441(12) 1 d . U P A 2 C2_17 C 0.6166(12) 0.3177(10) 0.2776(8) 0.059(3) Uani 0.441(12) 1 d . U P A 2 C3_17 C 0.6353(10) 0.3914(9) 0.3072(7) 0.060(3) Uani 0.441(12) 1 d . U P A 2 H3_17 H 0.579208 0.431816 0.349203 0.072 Uiso 0.441(12) 1 calc R . P A 2 C4_17 C 0.7392(12) 0.4045(10) 0.2733(8) 0.059(3) Uani 0.441(12) 1 d . U P A 2 C5_17 C 0.8105(12) 0.3481(10) 0.2082(8) 0.079(4) Uani 0.441(12) 1 d . U P A 2 H5_17 H 0.877451 0.356910 0.181135 0.095 Uiso 0.441(12) 1 calc R . P A 2 C6_17 C 0.7870(10) 0.2796(9) 0.1815(8) 0.063(3) Uani 0.441(12) 1 d . U P A 2 C7_17 C 0.5019(17) 0.3110(15) 0.3269(15) 0.081(6) Uani 0.441(12) 1 d . U P A 2 H7A_17 H 0.501763 0.302188 0.379496 0.121 Uiso 0.441(12) 1 calc GR . P A 2 H7B_17 H 0.493579 0.258054 0.306418 0.121 Uiso 0.441(12) 1 calc GR . P A 2 H7C_17 H 0.439424 0.368697 0.325367 0.121 Uiso 0.441(12) 1 calc GR . P A 2 C8_17 C 0.7605(14) 0.4824(12) 0.3040(9) 0.091(4) Uani 0.441(12) 1 d . U P A 2 H8A_17 H 0.839070 0.460033 0.302716 0.137 Uiso 0.441(12) 1 calc GR . P A 2 H8B_17 H 0.711341 0.502165 0.356390 0.137 Uiso 0.441(12) 1 calc GR . P A 2 H8C_17 H 0.744775 0.535341 0.272702 0.137 Uiso 0.441(12) 1 calc GR . P A 2 C9_17 C 0.8659(11) 0.2281(10) 0.1089(8) 0.082(3) Uani 0.441(12) 1 d . U P A 2 H9A_17 H 0.924387 0.253429 0.089457 0.124 Uiso 0.441(12) 1 calc GR . P A 2 H9B_17 H 0.825344 0.234423 0.072245 0.124 Uiso 0.441(12) 1 calc GR . P A 2 H9C_17 H 0.900605 0.161997 0.116863 0.124 Uiso 0.441(12) 1 calc GR . P A 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 B1A 0.059(2) 0.061(4) 0.061(4) 0.004(3) -0.021(2) -0.021(2) B1B 0.059(2) 0.061(4) 0.061(4) 0.004(3) -0.021(2) -0.021(2) C1_1 0.090(3) 0.068(3) 0.054(2) -0.0109(19) 0.001(2) -0.020(2) C2_1 0.139(5) 0.066(3) 0.072(3) -0.002(2) -0.022(3) -0.028(3) C3_1 0.136(5) 0.066(3) 0.080(3) -0.008(2) -0.038(3) -0.007(3) C4_1 0.110(4) 0.118(5) 0.071(3) -0.013(3) -0.017(3) -0.027(4) C5_1 0.083(3) 0.125(5) 0.071(3) -0.019(3) -0.003(2) -0.022(3) C6_1 0.086(3) 0.087(3) 0.071(3) -0.014(2) 0.004(2) -0.020(3) C7_1 0.118(4) 0.153(5) 0.099(4) -0.015(4) -0.040(3) 0.001(4) C1_2 0.096(3) 0.071(3) 0.052(2) -0.0038(18) -0.010(2) -0.034(2) C2_2 0.107(4) 0.134(5) 0.054(2) -0.013(3) -0.007(2) -0.061(3) C3_2 0.100(4) 0.143(5) 0.063(3) -0.008(3) -0.018(2) -0.056(4) C4_2 0.116(4) 0.087(3) 0.065(3) 0.001(2) -0.033(3) -0.034(3) C5_2 0.119(4) 0.089(3) 0.058(3) -0.005(2) -0.029(3) -0.021(3) C6_2 0.110(4) 0.076(3) 0.059(2) -0.005(2) -0.009(2) -0.026(3) C7_2 0.142(5) 0.114(4) 0.084(3) 0.000(3) -0.055(3) -0.043(4) N1_3 0.081(2) 0.070(2) 0.0598(19) -0.0168(16) 0.0019(17) -0.0247(18) C2_3 0.062(2) 0.055(2) 0.061(2) -0.0065(17) -0.0019(18) -0.0150(18) C3_3 0.0493(19) 0.056(2) 0.062(2) -0.0035(17) -0.0048(16) -0.0120(16) C4_3 0.0482(18) 0.056(2) 0.0539(19) -0.0032(16) -0.0081(15) -0.0108(16) C5_3 0.061(2) 0.058(2) 0.053(2) -0.0043(16) -0.0101(16) -0.0105(17) C6_3 0.072(2) 0.070(3) 0.052(2) -0.0035(18) -0.0120(18) -0.020(2) C7_3 0.0489(19) 0.064(2) 0.068(2) 0.0016(19) -0.0091(17) -0.0093(17) C8_3 0.0433(18) 0.075(3) 0.070(2) 0.003(2) -0.0134(17) -0.0136(18) C9_3 0.0440(18) 0.065(2) 0.060(2) -0.0038(17) -0.0098(15) -0.0129(16) C10_3 0.0444(17) 0.058(2) 0.0528(19) -0.0053(15) -0.0088(14) -0.0131(15) C11_3 0.060(2) 0.082(3) 0.069(2) -0.010(2) -0.0246(19) -0.020(2) C12_3 0.063(2) 0.074(3) 0.075(3) -0.014(2) -0.021(2) -0.022(2) C13_3 0.0511(19) 0.062(2) 0.060(2) -0.0123(17) -0.0099(16) -0.0179(17) C14_3 0.0453(18) 0.056(2) 0.0539(19) -0.0069(15) -0.0089(15) -0.0088(15) C15_3 0.062(2) 0.059(2) 0.070(2) -0.0096(18) -0.0120(18) -0.0187(18) C16_3 0.056(2) 0.057(2) 0.073(2) -0.0076(18) -0.0059(18) -0.0094(18) C17_3 0.0523(19) 0.053(2) 0.061(2) -0.0028(16) -0.0115(16) -0.0098(16) C18_3 0.0467(18) 0.053(2) 0.0552(19) -0.0060(15) -0.0122(15) -0.0112(15) C19_3 0.054(2) 0.059(2) 0.075(2) 0.0075(19) -0.0198(18) -0.0107(18) C20_3 0.053(2) 0.064(2) 0.072(2) 0.0105(19) -0.0202(18) -0.0156(18) C21_3 0.054(2) 0.060(2) 0.070(2) -0.0009(18) -0.0212(17) -0.0142(17) C22_3 0.0522(19) 0.051(2) 0.066(2) -0.0033(16) -0.0194(17) -0.0087(16) C1_3 0.071(2) 0.061(2) 0.054(2) -0.0112(17) 0.0016(18) -0.0217(19) K1_4 0.0819(7) 0.1008(8) 0.0918(8) -0.0091(6) -0.0102(5) -0.0377(6) C1_4 0.112(3) 0.155(3) 0.141(4) 0.064(3) -0.046(3) -0.071(3) O2_4 0.125(2) 0.140(2) 0.094(2) 0.036(2) -0.039(2) -0.080(2) C2_4 0.126(3) 0.164(3) 0.112(3) 0.055(3) -0.048(3) -0.085(3) O3_4 0.113(2) 0.116(3) 0.0764(19) -0.0114(18) 0.0023(17) -0.045(2) C3_4 0.157(3) 0.136(3) 0.074(3) 0.017(3) -0.028(3) -0.082(3) O4_4 0.085(2) 0.148(3) 0.111(3) -0.009(2) -0.0011(19) -0.050(2) C4_4 0.155(3) 0.125(4) 0.074(3) 0.001(3) -0.010(2) -0.069(3) O5_4 0.112(2) 0.0895(19) 0.122(3) 0.0048(18) -0.026(2) -0.0483(17) C5_4 0.107(2) 0.145(4) 0.109(3) -0.027(3) 0.011(3) -0.037(3) O6_4 0.121(2) 0.078(2) 0.113(2) 0.0187(19) -0.020(2) -0.036(2) C7_4 0.081(3) 0.146(3) 0.120(3) -0.002(3) -0.016(3) -0.049(2) C8_4 0.111(3) 0.136(3) 0.118(4) 0.006(3) -0.023(3) -0.053(3) C9_4 0.146(3) 0.069(2) 0.100(3) 0.012(2) -0.038(3) -0.040(2) C10_4 0.140(3) 0.077(3) 0.107(3) 0.011(3) -0.019(3) -0.028(3) C11_4 0.109(3) 0.092(3) 0.161(4) 0.018(3) -0.013(3) -0.028(3) C12_4 0.102(3) 0.110(3) 0.169(4) 0.043(3) -0.026(3) -0.039(3) C6_4 0.088(3) 0.155(3) 0.113(3) -0.022(3) 0.009(3) -0.041(3) O1_4 0.096(2) 0.111(2) 0.135(3) 0.045(2) -0.027(2) -0.0440(19) K1_8 0.0499(8) 0.0789(11) 0.0605(9) -0.0038(8) -0.0138(7) -0.0124(8) O1_8 0.052(3) 0.042(3) 0.060(4) -0.007(3) -0.015(3) -0.006(2) O2_8 0.054(3) 0.076(4) 0.068(3) 0.005(3) -0.017(2) -0.018(3) O3_8 0.062(5) 0.068(5) 0.069(5) -0.009(4) -0.017(4) -0.022(4) O4_8 0.054(3) 0.086(4) 0.079(4) 0.018(3) -0.019(3) -0.018(3) O5_8 0.059(4) 0.075(4) 0.073(4) 0.005(3) -0.025(3) -0.019(3) O6_8 0.049(4) 0.085(6) 0.051(4) 0.001(4) -0.009(3) -0.021(4) C1_8 0.046(4) 0.065(5) 0.069(5) 0.003(4) -0.022(3) -0.007(3) C2_8 0.046(4) 0.074(5) 0.074(5) -0.009(4) -0.017(3) -0.014(4) C3_8 0.063(8) 0.086(10) 0.066(8) 0.010(8) -0.026(7) -0.033(8) C4_8 0.061(11) 0.090(10) 0.060(11) -0.001(7) -0.014(8) -0.027(8) C5_8 0.069(5) 0.072(5) 0.074(5) 0.005(3) -0.019(3) -0.029(3) C6_8 0.058(7) 0.075(8) 0.077(8) 0.008(7) -0.013(6) -0.032(6) C7_8 0.066(5) 0.115(8) 0.084(6) 0.026(6) -0.038(5) -0.015(5) C8_8 0.070(5) 0.111(8) 0.079(6) 0.005(5) -0.023(5) -0.030(5) C9_8 0.075(8) 0.066(7) 0.070(7) -0.003(6) -0.020(6) -0.021(7) C10_8 0.062(12) 0.088(11) 0.061(12) 0.013(9) -0.018(9) -0.026(9) C11_8 0.058(4) 0.062(4) 0.062(4) 0.002(3) -0.016(3) -0.027(3) C12_8 0.049(4) 0.051(5) 0.070(5) -0.011(5) -0.010(4) -0.008(4) O1_5 0.177(5) 0.227(6) 0.193(5) 0.082(5) -0.056(4) -0.123(5) C2_5 0.177(5) 0.227(6) 0.193(5) 0.081(5) -0.057(4) -0.123(5) C3_5 0.177(5) 0.227(6) 0.192(5) 0.080(5) -0.059(4) -0.123(5) C4_5 0.176(5) 0.225(6) 0.191(5) 0.080(5) -0.058(4) -0.125(5) C5_5 0.177(5) 0.226(6) 0.192(5) 0.081(5) -0.056(4) -0.124(5) O1_15 0.177(5) 0.228(6) 0.192(5) 0.080(5) -0.057(4) -0.122(5) C2_15 0.177(5) 0.227(6) 0.193(5) 0.081(5) -0.056(4) -0.122(5) C4_15 0.177(5) 0.226(6) 0.192(5) 0.081(5) -0.057(4) -0.124(5) C3_15 0.177(5) 0.227(6) 0.192(5) 0.081(5) -0.057(4) -0.123(5) C5_15 0.177(5) 0.226(6) 0.193(5) 0.081(5) -0.056(4) -0.124(5) C1_6 0.054(3) 0.058(3) 0.058(3) 0.002(2) -0.018(2) -0.019(2) C2_6 0.061(3) 0.065(3) 0.060(3) 0.004(3) -0.025(3) -0.019(2) C3_6 0.062(3) 0.064(3) 0.063(3) 0.006(2) -0.022(2) -0.019(2) C4_6 0.063(3) 0.063(3) 0.062(3) 0.005(3) -0.022(2) -0.020(2) C5_6 0.064(3) 0.066(3) 0.065(3) 0.010(2) -0.019(2) -0.022(2) C6_6 0.055(3) 0.056(3) 0.057(3) 0.005(2) -0.020(2) -0.017(2) C7_6 0.072(5) 0.078(5) 0.074(6) 0.003(5) -0.025(5) -0.015(4) C8_6 0.080(5) 0.072(4) 0.091(5) 0.015(4) -0.026(4) -0.022(3) C9_6 0.079(5) 0.073(5) 0.067(4) 0.003(4) -0.025(4) -0.021(4) C1_16 0.053(4) 0.057(4) 0.055(4) 0.002(3) -0.020(3) -0.019(3) C2_16 0.058(4) 0.061(4) 0.062(4) 0.004(3) -0.020(3) -0.021(3) C3_16 0.064(4) 0.066(4) 0.066(4) 0.005(3) -0.023(3) -0.022(3) C4_16 0.072(4) 0.072(4) 0.074(4) 0.008(3) -0.022(3) -0.029(3) C5_16 0.066(4) 0.063(4) 0.060(4) 0.006(3) -0.022(3) -0.022(3) C6_16 0.063(4) 0.065(4) 0.065(4) 0.005(3) -0.019(3) -0.025(3) C7_16 0.072(6) 0.069(6) 0.067(6) 0.005(5) -0.027(5) -0.016(4) C8_16 0.087(6) 0.070(5) 0.093(6) 0.022(4) -0.029(4) -0.025(4) C9_16 0.071(5) 0.069(6) 0.066(6) 0.012(4) -0.025(4) -0.023(4) C1_7 0.059(4) 0.060(4) 0.059(4) 0.004(3) -0.022(3) -0.021(2) C2_7 0.057(3) 0.056(3) 0.055(3) 0.001(2) -0.020(2) -0.018(2) C3_7 0.075(4) 0.073(4) 0.071(4) 0.006(3) -0.027(3) -0.025(3) C4_7 0.078(4) 0.076(4) 0.078(4) 0.004(3) -0.029(3) -0.029(3) C5_7 0.084(4) 0.087(4) 0.091(4) 0.004(3) -0.026(3) -0.039(3) C6_7 0.085(4) 0.089(5) 0.089(5) 0.008(3) -0.027(3) -0.036(3) C7_7 0.073(6) 0.071(6) 0.075(5) 0.010(4) -0.018(4) -0.027(4) C8_7 0.106(6) 0.100(6) 0.115(6) 0.001(4) -0.041(5) -0.054(5) C9_7 0.107(6) 0.130(7) 0.131(7) 0.018(5) -0.026(5) -0.056(5) C1_17 0.056(4) 0.056(4) 0.057(4) 0.005(3) -0.020(3) -0.019(3) C2_17 0.059(4) 0.061(4) 0.060(4) 0.004(3) -0.021(3) -0.023(3) C3_17 0.058(4) 0.063(4) 0.058(4) 0.004(3) -0.019(3) -0.021(3) C4_17 0.058(4) 0.061(4) 0.059(4) 0.001(3) -0.017(3) -0.025(3) C5_17 0.079(4) 0.081(5) 0.082(5) 0.004(3) -0.022(3) -0.036(3) C6_17 0.060(4) 0.066(4) 0.065(4) 0.005(3) -0.015(3) -0.028(3) C7_17 0.076(7) 0.084(8) 0.079(7) 0.007(5) -0.023(5) -0.029(5) C8_17 0.092(6) 0.097(6) 0.089(6) 0.005(5) -0.027(5) -0.040(5) C9_17 0.076(5) 0.091(6) 0.081(5) 0.017(4) -0.019(4) -0.038(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 8 1 8 0.0698 -1 -2 11 0.0046 1 2 -11 0.0158 -1 -9 -2 0.0468 0 9 1 0.0236 -7 0 -8 0.0829 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 C20_3 B1A C1_7 122.8(10) . . ? C1_6 B1A C20_3 116.9(10) . . ? C1_6 B1A C1_7 120.3(11) . . ? C20_3 B1B C1_16 126.2(14) . . ? C20_3 B1B C1_17 115.5(13) . . ? C1_17 B1B C1_16 118.3(14) . . ? C2_1 C1_1 C6_1 118.1(5) . . ? C2_1 C1_1 N1_3 122.6(5) . . ? C6_1 C1_1 N1_3 119.2(4) . . ? C1_1 C2_1 H2_1 120.5 . . ? C1_1 C2_1 C3_1 118.9(6) . . ? C3_1 C2_1 H2_1 120.5 . . ? C2_1 C3_1 H3_1 119.5 . . ? C4_1 C3_1 C2_1 120.9(5) . . ? C4_1 C3_1 H3_1 119.5 . . ? C3_1 C4_1 C7_1 119.2(7) . . ? C5_1 C4_1 C3_1 119.0(6) . . ? C5_1 C4_1 C7_1 121.9(7) . . ? C4_1 C5_1 H5_1 119.5 . . ? C4_1 C5_1 C6_1 121.1(6) . . ? C6_1 C5_1 H5_1 119.5 . . ? C1_1 C6_1 C5_1 121.9(5) . . ? C1_1 C6_1 H6_1 119.0 . . ? C5_1 C6_1 H6_1 119.0 . . ? C4_1 C7_1 H7A_1 109.5 . . ? C4_1 C7_1 H7B_1 109.5 . . ? C4_1 C7_1 H7C_1 109.5 . . ? H7A_1 C7_1 H7B_1 109.5 . . ? H7A_1 C7_1 H7C_1 109.5 . . ? H7B_1 C7_1 H7C_1 109.5 . . ? C2_2 C1_2 C6_2 116.5(5) . . ? C2_2 C1_2 N1_3 122.9(4) . . ? C6_2 C1_2 N1_3 120.6(4) . . ? C1_2 C2_2 H2_2 119.0 . . ? C3_2 C2_2 C1_2 122.1(4) . . ? C3_2 C2_2 H2_2 119.0 . . ? C2_2 C3_2 H3_2 119.0 . . ? C2_2 C3_2 C4_2 122.1(5) . . ? C4_2 C3_2 H3_2 119.0 . . ? C3_2 C4_2 C7_2 120.6(5) . . ? C5_2 C4_2 C3_2 116.3(5) . . ? C5_2 C4_2 C7_2 123.1(5) . . ? C4_2 C5_2 H5_2 118.5 . . ? C4_2 C5_2 C6_2 122.9(4) . . ? C6_2 C5_2 H5_2 118.5 . . ? C1_2 C6_2 H6_2 119.9 . . ? C5_2 C6_2 C1_2 120.1(5) . . ? C5_2 C6_2 H6_2 119.9 . . ? C4_2 C7_2 H7A_2 109.5 . . ? C4_2 C7_2 H7B_2 109.5 . . ? C4_2 C7_2 H7C_2 109.5 . . ? H7A_2 C7_2 H7B_2 109.5 . . ? H7A_2 C7_2 H7C_2 109.5 . . ? H7B_2 C7_2 H7C_2 109.5 . . ? C1_2 N1_3 C1_1 120.7(3) . . ? C1_2 N1_3 C1_3 119.9(3) . . ? C1_3 N1_3 C1_1 116.0(4) . . ? C3_3 C2_3 H2_3 119.2 . . ? C1_3 C2_3 H2_3 119.2 . . ? C1_3 C2_3 C3_3 121.6(4) . . ? C2_3 C3_3 C4_3 120.4(4) . . ? C2_3 C3_3 C7_3 121.3(3) . . ? C4_3 C3_3 C7_3 118.2(3) . . ? C3_3 C4_3 C5_3 116.1(3) . . ? C3_3 C4_3 C10_3 120.5(3) . . ? C5_3 C4_3 C10_3 123.3(3) . . ? C4_3 C5_3 H5_3 119.0 . . ? C6_3 C5_3 C4_3 122.0(3) . . ? C6_3 C5_3 H5_3 119.0 . . ? C5_3 C6_3 H6_3 119.5 . . ? C5_3 C6_3 C1_3 121.0(4) . . ? C1_3 C6_3 H6_3 119.5 . . ? C3_3 C7_3 H7_3 119.6 . . ? C8_3 C7_3 C3_3 120.8(4) . . ? C8_3 C7_3 H7_3 119.6 . . ? C7_3 C8_3 H8_3 118.8 . . ? C7_3 C8_3 C9_3 122.5(4) . . ? C9_3 C8_3 H8_3 118.8 . . ? C10_3 C9_3 C8_3 118.3(3) . . ? C10_3 C9_3 C11_3 120.2(3) . . ? C11_3 C9_3 C8_3 121.4(3) . . ? C4_3 C10_3 C14_3 124.6(3) . . ? C9_3 C10_3 C4_3 118.2(3) . . ? C9_3 C10_3 C14_3 116.9(3) . . ? C9_3 C11_3 H11_3 120.4 . . ? C12_3 C11_3 C9_3 119.2(4) . . ? C12_3 C11_3 H11_3 120.4 . . ? C11_3 C12_3 H12_3 119.8 . . ? C11_3 C12_3 C13_3 120.4(4) . . ? C13_3 C12_3 H12_3 119.8 . . ? C12_3 C13_3 C14_3 119.6(3) . . ? C12_3 C13_3 C15_3 121.9(3) . . ? C15_3 C13_3 C14_3 118.1(3) . . ? C13_3 C14_3 C10_3 116.7(3) . . ? C18_3 C14_3 C10_3 124.5(3) . . ? C18_3 C14_3 C13_3 118.8(3) . . ? C13_3 C15_3 H15_3 119.2 . . ? C13_3 C15_3 K1_4 118.0(2) . . ? C16_3 C15_3 C13_3 121.6(4) . . ? C16_3 C15_3 H15_3 119.2 . . ? C16_3 C15_3 K1_4 62.6(2) . . ? K1_4 C15_3 H15_3 89.4 . . ? C15_3 C16_3 H16_3 110.7 . . ? C15_3 C16_3 C17_3 121.5(3) . . ? C15_3 C16_3 K1_4 94.3(3) . . ? C17_3 C16_3 H16_3 110.7 . . ? C17_3 C16_3 K1_4 107.6(3) . . ? K1_4 C16_3 H16_3 110.7 . . ? C16_3 C17_3 C18_3 117.3(3) . . ? C19_3 C17_3 C16_3 122.0(3) . . ? C19_3 C17_3 C18_3 120.7(3) . . ? C14_3 C18_3 C17_3 120.7(3) . . ? C14_3 C18_3 C22_3 124.0(3) . . ? C22_3 C18_3 C17_3 115.1(3) . . ? C17_3 C19_3 H19_3 117.8 . . ? C17_3 C19_3 C20_3 124.3(3) . . ? C20_3 C19_3 H19_3 117.8 . . ? B1B C20_3 C21_3 127.9(8) . . ? C19_3 C20_3 B1A 129.9(6) . . ? C19_3 C20_3 B1B 119.2(8) . . ? C19_3 C20_3 C21_3 112.7(3) . . ? C21_3 C20_3 B1A 117.2(6) . . ? C20_3 C21_3 H21_3 117.8 . . ? C20_3 C21_3 K1_8 129.8(3) . . ? C22_3 C21_3 C20_3 124.4(4) . . ? C22_3 C21_3 H21_3 117.8 . . ? C22_3 C21_3 K1_8 74.9(2) . . ? K1_8 C21_3 H21_3 65.9 . . ? C18_3 C22_3 H22_3 119.0 . . ? C18_3 C22_3 K1_8 124.5(2) . . ? C21_3 C22_3 C18_3 121.9(3) . . ? C21_3 C22_3 H22_3 119.0 . . ? C21_3 C22_3 K1_8 81.3(2) . . ? K1_8 C22_3 H22_3 64.7 . . ? C2_3 C1_3 N1_3 122.1(4) . . ? C2_3 C1_3 C6_3 118.5(3) . . ? C6_3 C1_3 N1_3 119.4(4) . . ? C15_3 K1_4 C6_4 73.62(14) . . ? C16_3 K1_4 C15_3 23.09(10) . . ? C16_3 K1_4 C6_4 91.26(15) . . ? C16_3 K1_4 C5_15 160.7(5) . . ? O2_4 K1_4 C15_3 115.08(11) . . ? O2_4 K1_4 C16_3 96.99(11) . . ? O2_4 K1_4 O6_4 118.41(14) . . ? O2_4 K1_4 C6_4 103.38(15) . . ? O2_4 K1_4 O1_15 70.8(4) . . ? O2_4 K1_4 C5_15 95.1(4) . . ? O3_4 K1_4 C15_3 87.25(11) . . ? O3_4 K1_4 C16_3 90.46(11) . . ? O3_4 K1_4 O2_4 61.51(13) . . ? O3_4 K1_4 O4_4 61.68(13) . . ? O3_4 K1_4 O5_4 120.74(13) . . ? O3_4 K1_4 O6_4 176.83(12) . . ? O3_4 K1_4 C6_4 42.31(15) . . ? O3_4 K1_4 O1_4 120.18(14) . . ? O3_4 K1_4 O1_5 90.0(3) . . ? O3_4 K1_4 O1_15 97.6(4) . . ? O3_4 K1_4 C5_15 108.5(5) . . ? O4_4 K1_4 C15_3 78.50(12) . . ? O4_4 K1_4 C16_3 100.14(13) . . ? O4_4 K1_4 O2_4 120.34(13) . . ? O4_4 K1_4 O6_4 119.35(14) . . ? O4_4 K1_4 C6_4 20.84(14) . . ? O4_4 K1_4 O1_15 100.4(4) . . ? O4_4 K1_4 C5_15 86.5(5) . . ? O5_4 K1_4 C15_3 67.23(11) . . ? O5_4 K1_4 C16_3 84.81(12) . . ? O5_4 K1_4 O2_4 177.19(12) . . ? O5_4 K1_4 O4_4 61.26(12) . . ? O5_4 K1_4 O6_4 59.46(12) . . ? O5_4 K1_4 C6_4 78.69(15) . . ? O5_4 K1_4 O1_4 117.64(14) . . ? O5_4 K1_4 O1_15 106.9(4) . . ? O5_4 K1_4 C5_15 82.6(4) . . ? O6_4 K1_4 C15_3 90.04(10) . . ? O6_4 K1_4 C16_3 86.41(10) . . ? O6_4 K1_4 C6_4 138.13(15) . . ? O6_4 K1_4 O1_15 85.2(4) . . ? O6_4 K1_4 C5_15 74.6(5) . . ? O1_4 K1_4 C15_3 104.02(11) . . ? O1_4 K1_4 C16_3 82.65(11) . . ? O1_4 K1_4 O2_4 60.61(14) . . ? O1_4 K1_4 O4_4 176.76(13) . . ? O1_4 K1_4 O6_4 58.96(14) . . ? O1_4 K1_4 C6_4 161.71(16) . . ? O1_4 K1_4 O1_15 76.9(4) . . ? O1_4 K1_4 C5_15 90.3(5) . . ? O1_5 K1_4 C15_3 152.5(3) . . ? O1_5 K1_4 C16_3 175.5(3) . . ? O1_5 K1_4 O2_4 87.2(3) . . ? O1_5 K1_4 O4_4 76.1(3) . . ? O1_5 K1_4 O5_4 91.1(3) . . ? O1_5 K1_4 O6_4 93.2(3) . . ? O1_5 K1_4 C6_4 86.0(3) . . ? O1_5 K1_4 O1_4 101.0(3) . . ? O1_15 K1_4 C15_3 173.8(4) . . ? O1_15 K1_4 C16_3 159.4(4) . . ? O1_15 K1_4 C6_4 107.4(4) . . ? O1_15 K1_4 C5_15 24.4(5) . . ? C5_15 K1_4 C15_3 149.8(4) . . ? C5_15 K1_4 C6_4 100.5(5) . . ? H1A_4 C1_4 H1B_4 108.1 . . ? C2_4 C1_4 H1A_4 109.6 . . ? C2_4 C1_4 H1B_4 109.6 . . ? O1_4 C1_4 H1A_4 109.6 . . ? O1_4 C1_4 H1B_4 109.6 . . ? O1_4 C1_4 C2_4 110.4(6) . . ? C2_4 O2_4 K1_4 115.4(4) . . ? C2_4 O2_4 C3_4 111.6(5) . . ? C3_4 O2_4 K1_4 108.7(3) . . ? C1_4 C2_4 H2A_4 109.6 . . ? C1_4 C2_4 H2B_4 109.6 . . ? O2_4 C2_4 C1_4 110.1(6) . . ? O2_4 C2_4 H2A_4 109.6 . . ? O2_4 C2_4 H2B_4 109.6 . . ? H2A_4 C2_4 H2B_4 108.2 . . ? C4_4 O3_4 K1_4 116.5(4) . . ? C4_4 O3_4 C5_4 113.4(5) . . ? C5_4 O3_4 K1_4 116.8(4) . . ? K1_4 C3_4 H3A_4 85.6 . . ? K1_4 C3_4 H3B_4 158.2 . . ? O2_4 C3_4 K1_4 48.7(3) . . ? O2_4 C3_4 H3A_4 109.7 . . ? O2_4 C3_4 H3B_4 109.7 . . ? O2_4 C3_4 C4_4 109.9(5) . . ? H3A_4 C3_4 H3B_4 108.2 . . ? C4_4 C3_4 K1_4 79.9(4) . . ? C4_4 C3_4 H3A_4 109.7 . . ? C4_4 C3_4 H3B_4 109.7 . . ? C7_4 O4_4 K1_4 114.1(3) . . ? C6_4 O4_4 K1_4 111.9(4) . . ? C6_4 O4_4 C7_4 116.1(5) . . ? O3_4 C4_4 C3_4 108.1(5) . . ? O3_4 C4_4 H4A_4 110.1 . . ? O3_4 C4_4 H4B_4 110.1 . . ? C3_4 C4_4 H4A_4 110.1 . . ? C3_4 C4_4 H4B_4 110.1 . . ? H4A_4 C4_4 H4B_4 108.4 . . ? C8_4 O5_4 K1_4 112.7(4) . . ? C8_4 O5_4 C9_4 114.4(5) . . ? C9_4 O5_4 K1_4 115.9(3) . . ? O3_4 C5_4 H5A_4 109.8 . . ? O3_4 C5_4 H5B_4 109.8 . . ? O3_4 C5_4 C6_4 109.5(5) . . ? H5A_4 C5_4 H5B_4 108.2 . . ? C6_4 C5_4 H5A_4 109.8 . . ? C6_4 C5_4 H5B_4 109.8 . . ? C10_4 O6_4 K1_4 112.8(3) . . ? C10_4 O6_4 C11_4 111.5(5) . . ? C11_4 O6_4 K1_4 112.1(4) . . ? O4_4 C7_4 H7A_4 109.5 . . ? O4_4 C7_4 H7B_4 109.5 . . ? H7A_4 C7_4 H7B_4 108.1 . . ? C8_4 C7_4 O4_4 110.6(6) . . ? C8_4 C7_4 H7A_4 109.5 . . ? C8_4 C7_4 H7B_4 109.5 . . ? O5_4 C8_4 C7_4 111.6(6) . . ? O5_4 C8_4 H8A_4 109.3 . . ? O5_4 C8_4 H8B_4 109.3 . . ? C7_4 C8_4 H8A_4 109.3 . . ? C7_4 C8_4 H8B_4 109.3 . . ? H8A_4 C8_4 H8B_4 108.0 . . ? O5_4 C9_4 H9A_4 109.5 . . ? O5_4 C9_4 H9B_4 109.5 . . ? O5_4 C9_4 C10_4 110.7(5) . . ? H9A_4 C9_4 H9B_4 108.1 . . ? C10_4 C9_4 H9A_4 109.5 . . ? C10_4 C9_4 H9B_4 109.5 . . ? O6_4 C10_4 C9_4 108.7(5) . . ? O6_4 C10_4 H10A_4 109.9 . . ? O6_4 C10_4 H10B_4 109.9 . . ? C9_4 C10_4 H10A_4 109.9 . . ? C9_4 C10_4 H10B_4 109.9 . . ? H10A_4 C10_4 H10B_4 108.3 . . ? O6_4 C11_4 H11A_4 109.8 . . ? O6_4 C11_4 H11B_4 109.8 . . ? O6_4 C11_4 C12_4 109.6(6) . . ? H11A_4 C11_4 H11B_4 108.2 . . ? C12_4 C11_4 H11A_4 109.8 . . ? C12_4 C11_4 H11B_4 109.8 . . ? C11_4 C12_4 H12A_4 109.7 . . ? C11_4 C12_4 H12B_4 109.7 . . ? H12A_4 C12_4 H12B_4 108.2 . . ? O1_4 C12_4 C11_4 109.7(6) . . ? O1_4 C12_4 H12A_4 109.7 . . ? O1_4 C12_4 H12B_4 109.7 . . ? K1_4 C6_4 H6A_4 154.3 . . ? K1_4 C6_4 H6B_4 90.9 . . ? O4_4 C6_4 K1_4 47.2(3) . . ? O4_4 C6_4 C5_4 115.4(7) . . ? O4_4 C6_4 H6A_4 108.4 . . ? O4_4 C6_4 H6B_4 108.4 . . ? C5_4 C6_4 K1_4 81.5(4) . . ? C5_4 C6_4 H6A_4 108.4 . . ? C5_4 C6_4 H6B_4 108.4 . . ? H6A_4 C6_4 H6B_4 107.5 . . ? C1_4 O1_4 K1_4 114.3(4) . . ? C12_4 O1_4 K1_4 117.9(4) . . ? C12_4 O1_4 C1_4 112.9(5) . . ? C21_3 K1_8 C6_8 116.8(2) . . ? C21_3 K1_8 C7_8 79.34(19) . . ? C21_3 K1_8 C10_8 72.7(8) . . ? C22_3 K1_8 C21_3 23.77(9) . . ? C22_3 K1_8 C6_8 138.5(2) . . ? C22_3 K1_8 C7_8 102.9(2) . . ? C22_3 K1_8 C10_8 80.0(8) . . ? O1_8 K1_8 C21_3 100.92(16) . . ? O1_8 K1_8 C22_3 79.63(16) . . ? O1_8 K1_8 O2_8 61.08(17) . . ? O1_8 K1_8 O3_8 113.3(3) . . ? O1_8 K1_8 O4_8 164.20(19) . . ? O1_8 K1_8 C6_8 141.9(3) . . ? O1_8 K1_8 C7_8 160.9(2) . . ? O1_8 K1_8 C10_8 82.2(6) . . ? O2_8 K1_8 C21_3 119.39(15) . . ? O2_8 K1_8 C22_3 99.52(15) . . ? O2_8 K1_8 O3_8 59.0(3) . . ? O2_8 K1_8 C6_8 101.6(2) . . ? O2_8 K1_8 C7_8 135.4(2) . . ? O2_8 K1_8 C10_8 142.4(6) . . ? O3_8 K1_8 C21_3 132.50(19) . . ? O3_8 K1_8 C22_3 135.9(2) . . ? O3_8 K1_8 C6_8 42.9(3) . . ? O3_8 K1_8 C7_8 78.3(3) . . ? O3_8 K1_8 C10_8 141.4(8) . . ? O4_8 K1_8 C21_3 94.66(14) . . ? O4_8 K1_8 C22_3 116.17(15) . . ? O4_8 K1_8 O2_8 113.09(17) . . ? O4_8 K1_8 O3_8 55.8(3) . . ? O4_8 K1_8 C6_8 22.3(2) . . ? O4_8 K1_8 C7_8 22.6(2) . . ? O4_8 K1_8 C10_8 100.1(6) . . ? O5_8 K1_8 C21_3 76.43(16) . . ? O5_8 K1_8 C22_3 95.81(17) . . ? O5_8 K1_8 O1_8 118.6(2) . . ? O5_8 K1_8 O2_8 164.19(19) . . ? O5_8 K1_8 O3_8 111.4(3) . . ? O5_8 K1_8 O4_8 62.5(2) . . ? O5_8 K1_8 C6_8 68.7(3) . . ? O5_8 K1_8 C7_8 42.6(2) . . ? O5_8 K1_8 C10_8 37.6(6) . . ? O6_8 K1_8 C21_3 79.8(3) . . ? O6_8 K1_8 C22_3 78.8(3) . . ? O6_8 K1_8 O1_8 61.8(3) . . ? O6_8 K1_8 O2_8 122.1(3) . . ? O6_8 K1_8 O3_8 145.2(4) . . ? O6_8 K1_8 O4_8 119.2(3) . . ? O6_8 K1_8 O5_8 57.3(3) . . ? O6_8 K1_8 C6_8 117.6(4) . . ? O6_8 K1_8 C7_8 99.8(3) . . ? O6_8 K1_8 C10_8 20.4(7) . . ? C6_8 K1_8 C7_8 39.8(3) . . ? C10_8 K1_8 C6_8 103.0(7) . . ? C10_8 K1_8 C7_8 79.8(6) . . ? C1_8 O1_8 K1_8 119.2(4) . . ? C1_8 O1_8 C12_8 112.2(6) . . ? C12_8 O1_8 K1_8 120.0(6) . . ? C2_8 O2_8 K1_8 111.7(4) . . ? C3_8 O2_8 K1_8 112.7(7) . . ? C3_8 O2_8 C2_8 113.7(8) . . ? C4_8 O3_8 K1_8 122.6(14) . . ? C5_8 O3_8 K1_8 113.5(9) . . ? C5_8 O3_8 C4_8 117(2) . . ? C6_8 O4_8 K1_8 109.5(6) . . ? C6_8 O4_8 C7_8 114.0(8) . . ? C7_8 O4_8 K1_8 109.3(5) . . ? C8_8 O5_8 K1_8 118.2(6) . . ? C8_8 O5_8 C9_8 114.5(10) . . ? C9_8 O5_8 K1_8 122.3(8) . . ? C10_8 O6_8 K1_8 125.5(13) . . ? C10_8 O6_8 C11_8 104.2(13) . . ? C11_8 O6_8 K1_8 128.7(8) . . ? O1_8 C1_8 H1A_8 110.0 . . ? O1_8 C1_8 H1B_8 110.0 . . ? O1_8 C1_8 C2_8 108.3(6) . . ? H1A_8 C1_8 H1B_8 108.4 . . ? C2_8 C1_8 H1A_8 110.0 . . ? C2_8 C1_8 H1B_8 110.0 . . ? O2_8 C2_8 C1_8 112.9(7) . . ? O2_8 C2_8 H2A_8 109.0 . . ? O2_8 C2_8 H2B_8 109.0 . . ? C1_8 C2_8 H2A_8 109.0 . . ? C1_8 C2_8 H2B_8 109.0 . . ? H2A_8 C2_8 H2B_8 107.8 . . ? O2_8 C3_8 H3A_8 109.0 . . ? O2_8 C3_8 H3B_8 109.0 . . ? O2_8 C3_8 C4_8 113.0(18) . . ? H3A_8 C3_8 H3B_8 107.8 . . ? C4_8 C3_8 H3A_8 109.0 . . ? C4_8 C3_8 H3B_8 109.0 . . ? O3_8 C4_8 C3_8 106(2) . . ? O3_8 C4_8 H4A_8 110.4 . . ? O3_8 C4_8 H4B_8 110.4 . . ? C3_8 C4_8 H4A_8 110.4 . . ? C3_8 C4_8 H4B_8 110.4 . . ? H4A_8 C4_8 H4B_8 108.6 . . ? O3_8 C5_8 H5A_8 108.3 . . ? O3_8 C5_8 H5B_8 108.3 . . ? O3_8 C5_8 C6_8 115.9(12) . . ? H5A_8 C5_8 H5B_8 107.4 . . ? C6_8 C5_8 H5A_8 108.3 . . ? C6_8 C5_8 H5B_8 108.3 . . ? K1_8 C6_8 H6A_8 156.9 . . ? K1_8 C6_8 H6B_8 79.0 . . ? O4_8 C6_8 K1_8 48.1(4) . . ? O4_8 C6_8 C5_8 109.9(10) . . ? O4_8 C6_8 H6A_8 109.7 . . ? O4_8 C6_8 H6B_8 109.7 . . ? C5_8 C6_8 K1_8 87.3(7) . . ? C5_8 C6_8 H6A_8 109.7 . . ? C5_8 C6_8 H6B_8 109.7 . . ? H6A_8 C6_8 H6B_8 108.2 . . ? K1_8 C7_8 H7A_8 156.8 . . ? K1_8 C7_8 H7B_8 86.5 . . ? O4_8 C7_8 K1_8 48.0(4) . . ? O4_8 C7_8 H7A_8 109.0 . . ? O4_8 C7_8 H7B_8 109.0 . . ? O4_8 C7_8 C8_8 113.0(7) . . ? H7A_8 C7_8 H7B_8 107.8 . . ? C8_8 C7_8 K1_8 82.3(5) . . ? C8_8 C7_8 H7A_8 109.0 . . ? C8_8 C7_8 H7B_8 109.0 . . ? O5_8 C8_8 C7_8 108.4(9) . . ? O5_8 C8_8 H8A_8 110.0 . . ? O5_8 C8_8 H8B_8 110.0 . . ? C7_8 C8_8 H8A_8 110.0 . . ? C7_8 C8_8 H8B_8 110.0 . . ? H8A_8 C8_8 H8B_8 108.4 . . ? O5_8 C9_8 H9A_8 112.4 . . ? O5_8 C9_8 H9B_8 112.4 . . ? H9A_8 C9_8 H9B_8 110.0 . . ? C10_8 C9_8 O5_8 97(2) . . ? C10_8 C9_8 H9A_8 112.4 . . ? C10_8 C9_8 H9B_8 112.4 . . ? K1_8 C10_8 H10A_8 139.6 . . ? K1_8 C10_8 H10B_8 98.1 . . ? O6_8 C10_8 K1_8 34.1(9) . . ? O6_8 C10_8 H10A_8 106.7 . . ? O6_8 C10_8 H10B_8 106.7 . . ? C9_8 C10_8 K1_8 95.8(18) . . ? C9_8 C10_8 O6_8 122(3) . . ? C9_8 C10_8 H10A_8 106.7 . . ? C9_8 C10_8 H10B_8 106.7 . . ? H10A_8 C10_8 H10B_8 106.6 . . ? O6_8 C11_8 H11A_8 110.0 . . ? O6_8 C11_8 H11B_8 110.0 . . ? H11A_8 C11_8 H11B_8 108.4 . . ? C12_8 C11_8 O6_8 108.4(9) . . ? C12_8 C11_8 H11A_8 110.0 . . ? C12_8 C11_8 H11B_8 110.0 . . ? O1_8 C12_8 C11_8 106.6(8) . . ? O1_8 C12_8 H12A_8 110.4 . . ? O1_8 C12_8 H12B_8 110.4 . . ? C11_8 C12_8 H12A_8 110.4 . . ? C11_8 C12_8 H12B_8 110.4 . . ? H12A_8 C12_8 H12B_8 108.6 . . ? C2_5 O1_5 K1_4 121.8(8) . . ? C5_5 O1_5 K1_4 130.1(8) . . ? C5_5 O1_5 C2_5 104.2(10) . . ? O1_5 C2_5 H2A_5 110.3 . . ? O1_5 C2_5 H2B_5 110.3 . . ? H2A_5 C2_5 H2B_5 108.6 . . ? C3_5 C2_5 O1_5 107.0(13) . . ? C3_5 C2_5 H2A_5 110.3 . . ? C3_5 C2_5 H2B_5 110.3 . . ? C2_5 C3_5 H3A_5 110.5 . . ? C2_5 C3_5 H3B_5 110.5 . . ? C2_5 C3_5 C4_5 106.2(15) . . ? H3A_5 C3_5 H3B_5 108.7 . . ? C4_5 C3_5 H3A_5 110.5 . . ? C4_5 C3_5 H3B_5 110.5 . . ? C3_5 C4_5 H4A_5 111.0 . . ? C3_5 C4_5 H4B_5 111.0 . . ? H4A_5 C4_5 H4B_5 109.0 . . ? C5_5 C4_5 C3_5 103.9(12) . . ? C5_5 C4_5 H4A_5 111.0 . . ? C5_5 C4_5 H4B_5 111.0 . . ? O1_5 C5_5 H5A_5 109.2 . . ? O1_5 C5_5 H5B_5 109.2 . . ? C4_5 C5_5 O1_5 112.2(14) . . ? C4_5 C5_5 H5A_5 109.2 . . ? C4_5 C5_5 H5B_5 109.2 . . ? H5A_5 C5_5 H5B_5 107.9 . . ? C2_15 O1_15 K1_4 109.0(18) . . ? C5_15 O1_15 K1_4 94.2(17) . . ? C5_15 O1_15 C2_15 109.4(16) . . ? O1_15 C2_15 H2A_15 110.9 . . ? O1_15 C2_15 H2B_15 110.9 . . ? H2A_15 C2_15 H2B_15 108.9 . . ? C3_15 C2_15 O1_15 104.2(18) . . ? C3_15 C2_15 H2A_15 110.9 . . ? C3_15 C2_15 H2B_15 110.9 . . ? H4A_15 C4_15 H4B_15 108.8 . . ? C3_15 C4_15 H4A_15 110.7 . . ? C3_15 C4_15 H4B_15 110.7 . . ? C5_15 C4_15 H4A_15 110.7 . . ? C5_15 C4_15 H4B_15 110.7 . . ? C5_15 C4_15 C3_15 105.3(19) . . ? C2_15 C3_15 C4_15 109.9(19) . . ? C2_15 C3_15 H3A_15 109.7 . . ? C2_15 C3_15 H3B_15 109.7 . . ? C4_15 C3_15 H3A_15 109.7 . . ? C4_15 C3_15 H3B_15 109.7 . . ? H3A_15 C3_15 H3B_15 108.2 . . ? K1_4 C5_15 H5A_15 51.4 . . ? K1_4 C5_15 H5B_15 139.8 . . ? O1_15 C5_15 K1_4 61.4(14) . . ? O1_15 C5_15 H5A_15 109.6 . . ? O1_15 C5_15 H5B_15 109.6 . . ? C4_15 C5_15 K1_4 110(2) . . ? C4_15 C5_15 O1_15 110(2) . . ? C4_15 C5_15 H5A_15 109.6 . . ? C4_15 C5_15 H5B_15 109.6 . . ? H5A_15 C5_15 H5B_15 108.1 . . ? C2_6 C1_6 B1A 122.9(8) . . ? C2_6 C1_6 C6_6 115.6(7) . . ? C6_6 C1_6 B1A 121.3(8) . . ? C1_6 C2_6 C3_6 122.4(8) . . ? C1_6 C2_6 C7_6 122.9(8) . . ? C3_6 C2_6 C7_6 114.5(10) . . ? C2_6 C3_6 H3_6 119.9 . . ? C4_6 C3_6 C2_6 120.1(8) . . ? C4_6 C3_6 H3_6 119.9 . . ? C3_6 C4_6 C5_6 118.3(7) . . ? C3_6 C4_6 C8_6 121.5(9) . . ? C5_6 C4_6 C8_6 120.2(8) . . ? C4_6 C5_6 H5_6 119.2 . . ? C6_6 C5_6 C4_6 121.6(7) . . ? C6_6 C5_6 H5_6 119.2 . . ? C1_6 C6_6 C9_6 120.7(7) . . ? C5_6 C6_6 C1_6 121.7(9) . . ? C5_6 C6_6 C9_6 117.6(7) . . ? C2_6 C7_6 H7A_6 109.5 . . ? C2_6 C7_6 H7B_6 109.5 . . ? C2_6 C7_6 H7C_6 109.5 . . ? H7A_6 C7_6 H7B_6 109.5 . . ? H7A_6 C7_6 H7C_6 109.5 . . ? H7B_6 C7_6 H7C_6 109.5 . . ? C4_6 C8_6 H8A_6 109.5 . . ? C4_6 C8_6 H8B_6 109.5 . . ? C4_6 C8_6 H8C_6 109.5 . . ? H8A_6 C8_6 H8B_6 109.5 . . ? H8A_6 C8_6 H8C_6 109.5 . . ? H8B_6 C8_6 H8C_6 109.5 . . ? C6_6 C9_6 H9A_6 109.5 . . ? C6_6 C9_6 H9B_6 109.5 . . ? C6_6 C9_6 H9C_6 109.5 . . ? H9A_6 C9_6 H9B_6 109.5 . . ? H9A_6 C9_6 H9C_6 109.5 . . ? H9B_6 C9_6 H9C_6 109.5 . . ? C2_16 C1_16 B1B 121.7(9) . . ? C6_16 C1_16 B1B 122.1(11) . . ? C6_16 C1_16 C2_16 116.1(10) . . ? C1_16 C2_16 C7_16 122.9(10) . . ? C3_16 C2_16 C1_16 120.7(10) . . ? C3_16 C2_16 C7_16 116.4(11) . . ? C2_16 C3_16 H3_16 119.5 . . ? C4_16 C3_16 C2_16 121.0(10) . . ? C4_16 C3_16 H3_16 119.5 . . ? C3_16 C4_16 C8_16 121.1(10) . . ? C5_16 C4_16 C3_16 119.7(9) . . ? C5_16 C4_16 C8_16 119.1(10) . . ? C4_16 C5_16 H5_16 120.1 . . ? C4_16 C5_16 C6_16 119.8(9) . . ? C6_16 C5_16 H5_16 120.1 . . ? C1_16 C6_16 C9_16 119.9(9) . . ? C5_16 C6_16 C1_16 122.5(10) . . ? C5_16 C6_16 C9_16 117.5(9) . . ? C2_16 C7_16 H7A_16 109.5 . . ? C2_16 C7_16 H7B_16 109.5 . . ? C2_16 C7_16 H7C_16 109.5 . . ? H7A_16 C7_16 H7B_16 109.5 . . ? H7A_16 C7_16 H7C_16 109.5 . . ? H7B_16 C7_16 H7C_16 109.5 . . ? C4_16 C8_16 H8A_16 109.5 . . ? C4_16 C8_16 H8B_16 109.5 . . ? C4_16 C8_16 H8C_16 109.5 . . ? H8A_16 C8_16 H8B_16 109.5 . . ? H8A_16 C8_16 H8C_16 109.5 . . ? H8B_16 C8_16 H8C_16 109.5 . . ? C6_16 C9_16 H9A_16 109.5 . . ? C6_16 C9_16 H9B_16 109.5 . . ? C6_16 C9_16 H9C_16 109.5 . . ? H9A_16 C9_16 H9B_16 109.5 . . ? H9A_16 C9_16 H9C_16 109.5 . . ? H9B_16 C9_16 H9C_16 109.5 . . ? C2_7 C1_7 B1A 123.4(9) . . ? C2_7 C1_7 C6_7 117.5(9) . . ? C6_7 C1_7 B1A 118.9(10) . . ? C1_7 C2_7 C3_7 119.9(8) . . ? C1_7 C2_7 C7_7 122.6(10) . . ? C3_7 C2_7 C7_7 117.5(10) . . ? C2_7 C3_7 H3_7 119.5 . . ? C4_7 C3_7 C2_7 121.0(9) . . ? C4_7 C3_7 H3_7 119.5 . . ? C3_7 C4_7 C5_7 119.6(9) . . ? C3_7 C4_7 C8_7 120.3(10) . . ? C5_7 C4_7 C8_7 120.1(9) . . ? C4_7 C5_7 H5_7 119.4 . . ? C6_7 C5_7 C4_7 121.2(10) . . ? C6_7 C5_7 H5_7 119.4 . . ? C1_7 C6_7 C9_7 119.5(10) . . ? C5_7 C6_7 C1_7 120.6(10) . . ? C5_7 C6_7 C9_7 119.9(11) . . ? C2_7 C7_7 H7A_7 109.5 . . ? C2_7 C7_7 H7B_7 109.5 . . ? C2_7 C7_7 H7C_7 109.5 . . ? H7A_7 C7_7 H7B_7 109.5 . . ? H7A_7 C7_7 H7C_7 109.5 . . ? H7B_7 C7_7 H7C_7 109.5 . . ? C4_7 C8_7 H8A_7 109.5 . . ? C4_7 C8_7 H8B_7 109.5 . . ? C4_7 C8_7 H8C_7 109.5 . . ? H8A_7 C8_7 H8B_7 109.5 . . ? H8A_7 C8_7 H8C_7 109.5 . . ? H8B_7 C8_7 H8C_7 109.5 . . ? C6_7 C9_7 H9A_7 109.5 . . ? C6_7 C9_7 H9B_7 109.5 . . ? C6_7 C9_7 H9C_7 109.5 . . ? H9A_7 C9_7 H9B_7 109.5 . . ? H9A_7 C9_7 H9C_7 109.5 . . ? H9B_7 C9_7 H9C_7 109.5 . . ? C2_17 C1_17 B1B 124.4(12) . . ? C2_17 C1_17 C6_17 112.6(12) . . ? C6_17 C1_17 B1B 123.0(12) . . ? C1_17 C2_17 C3_17 124.0(12) . . ? C1_17 C2_17 C7_17 124.2(13) . . ? C3_17 C2_17 C7_17 111.7(14) . . ? C2_17 C3_17 H3_17 119.9 . . ? C2_17 C3_17 C4_17 120.1(11) . . ? C4_17 C3_17 H3_17 119.9 . . ? C3_17 C4_17 C8_17 120.8(13) . . ? C5_17 C4_17 C3_17 115.4(11) . . ? C5_17 C4_17 C8_17 123.5(12) . . ? C4_17 C5_17 H5_17 119.2 . . ? C6_17 C5_17 C4_17 121.7(13) . . ? C6_17 C5_17 H5_17 119.2 . . ? C1_17 C6_17 C9_17 117.6(12) . . ? C5_17 C6_17 C1_17 125.8(13) . . ? C5_17 C6_17 C9_17 116.5(11) . . ? C2_17 C7_17 H7A_17 109.5 . . ? C2_17 C7_17 H7B_17 109.5 . . ? C2_17 C7_17 H7C_17 109.5 . . ? H7A_17 C7_17 H7B_17 109.5 . . ? H7A_17 C7_17 H7C_17 109.5 . . ? H7B_17 C7_17 H7C_17 109.5 . . ? C4_17 C8_17 H8A_17 109.5 . . ? C4_17 C8_17 H8B_17 109.5 . . ? C4_17 C8_17 H8C_17 109.5 . . ? H8A_17 C8_17 H8B_17 109.5 . . ? H8A_17 C8_17 H8C_17 109.5 . . ? H8B_17 C8_17 H8C_17 109.5 . . ? C6_17 C9_17 H9A_17 109.5 . . ? C6_17 C9_17 H9B_17 109.5 . . ? C6_17 C9_17 H9C_17 109.5 . . ? H9A_17 C9_17 H9B_17 109.5 . . ? H9A_17 C9_17 H9C_17 109.5 . . ? H9B_17 C9_17 H9C_17 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag B1A C20_3 1.592(16) . ? B1A C1_6 1.579(16) . ? B1A C1_7 1.612(16) . ? B1B C20_3 1.43(2) . ? B1B C1_16 1.63(2) . ? B1B C1_17 1.58(2) . ? C1_1 C2_1 1.372(7) . ? C1_1 C6_1 1.386(7) . ? C1_1 N1_3 1.443(6) . ? C2_1 H2_1 0.9500 . ? C2_1 C3_1 1.453(8) . ? C3_1 H3_1 0.9500 . ? C3_1 C4_1 1.371(9) . ? C4_1 C5_1 1.346(9) . ? C4_1 C7_1 1.527(8) . ? C5_1 H5_1 0.9500 . ? C5_1 C6_1 1.393(7) . ? C6_1 H6_1 0.9500 . ? C7_1 H7A_1 0.9800 . ? C7_1 H7B_1 0.9800 . ? C7_1 H7C_1 0.9800 . ? C1_2 C2_2 1.380(7) . ? C1_2 C6_2 1.396(6) . ? C1_2 N1_3 1.405(6) . ? C2_2 H2_2 0.9500 . ? C2_2 C3_2 1.369(7) . ? C3_2 H3_2 0.9500 . ? C3_2 C4_2 1.372(6) . ? C4_2 C5_2 1.370(8) . ? C4_2 C7_2 1.516(8) . ? C5_2 H5_2 0.9500 . ? C5_2 C6_2 1.385(8) . ? C6_2 H6_2 0.9500 . ? C7_2 H7A_2 0.9800 . ? C7_2 H7B_2 0.9800 . ? C7_2 H7C_2 0.9800 . ? N1_3 C1_3 1.437(5) . ? C2_3 H2_3 0.9500 . ? C2_3 C3_3 1.413(5) . ? C2_3 C1_3 1.368(6) . ? C3_3 C4_3 1.423(5) . ? C3_3 C7_3 1.429(5) . ? C4_3 C5_3 1.429(5) . ? C4_3 C10_3 1.432(5) . ? C5_3 H5_3 0.9500 . ? C5_3 C6_3 1.368(5) . ? C6_3 H6_3 0.9500 . ? C6_3 C1_3 1.410(6) . ? C7_3 H7_3 0.9500 . ? C7_3 C8_3 1.336(6) . ? C8_3 H8_3 0.9500 . ? C8_3 C9_3 1.433(5) . ? C9_3 C10_3 1.419(5) . ? C9_3 C11_3 1.430(5) . ? C10_3 C14_3 1.474(5) . ? C11_3 H11_3 0.9500 . ? C11_3 C12_3 1.383(6) . ? C12_3 H12_3 0.9500 . ? C12_3 C13_3 1.408(5) . ? C13_3 C14_3 1.437(5) . ? C13_3 C15_3 1.430(5) . ? C14_3 C18_3 1.415(5) . ? C15_3 H15_3 0.9500 . ? C15_3 C16_3 1.361(6) . ? C15_3 K1_4 3.461(4) . ? C16_3 H16_3 1.0000 . ? C16_3 C17_3 1.434(6) . ? C16_3 K1_4 3.082(4) . ? C17_3 C18_3 1.443(5) . ? C17_3 C19_3 1.393(5) . ? C18_3 C22_3 1.438(5) . ? C19_3 H19_3 0.9500 . ? C19_3 C20_3 1.424(6) . ? C20_3 C21_3 1.443(5) . ? C21_3 H21_3 0.9500 . ? C21_3 C22_3 1.356(5) . ? C21_3 K1_8 3.326(4) . ? C22_3 H22_3 0.9500 . ? C22_3 K1_8 3.249(4) . ? K1_4 O2_4 2.807(4) . ? K1_4 O3_4 2.739(4) . ? K1_4 O4_4 2.782(4) . ? K1_4 O5_4 2.780(4) . ? K1_4 O6_4 2.858(4) . ? K1_4 C6_4 3.515(7) . ? K1_4 O1_4 2.781(4) . ? K1_4 O1_5 2.762(9) . ? K1_4 O1_15 2.98(2) . ? K1_4 C5_15 3.39(3) . ? C1_4 H1A_4 0.9900 . ? C1_4 H1B_4 0.9900 . ? C1_4 C2_4 1.476(10) . ? C1_4 O1_4 1.441(8) . ? O2_4 C2_4 1.398(7) . ? O2_4 C3_4 1.435(8) . ? C2_4 H2A_4 0.9900 . ? C2_4 H2B_4 0.9900 . ? O3_4 C4_4 1.400(7) . ? O3_4 C5_4 1.419(7) . ? C3_4 H3A_4 0.9900 . ? C3_4 H3B_4 0.9900 . ? C3_4 C4_4 1.481(9) . ? O4_4 C7_4 1.453(7) . ? O4_4 C6_4 1.348(8) . ? C4_4 H4A_4 0.9900 . ? C4_4 H4B_4 0.9900 . ? O5_4 C8_4 1.376(7) . ? O5_4 C9_4 1.445(6) . ? C5_4 H5A_4 0.9900 . ? C5_4 H5B_4 0.9900 . ? C5_4 C6_4 1.484(10) . ? O6_4 C10_4 1.377(7) . ? O6_4 C11_4 1.436(8) . ? C7_4 H7A_4 0.9900 . ? C7_4 H7B_4 0.9900 . ? C7_4 C8_4 1.454(9) . ? C8_4 H8A_4 0.9900 . ? C8_4 H8B_4 0.9900 . ? C9_4 H9A_4 0.9900 . ? C9_4 H9B_4 0.9900 . ? C9_4 C10_4 1.452(9) . ? C10_4 H10A_4 0.9900 . ? C10_4 H10B_4 0.9900 . ? C11_4 H11A_4 0.9900 . ? C11_4 H11B_4 0.9900 . ? C11_4 C12_4 1.436(10) . ? C12_4 H12A_4 0.9900 . ? C12_4 H12B_4 0.9900 . ? C12_4 O1_4 1.385(8) . ? C6_4 H6A_4 0.9900 . ? C6_4 H6B_4 0.9900 . ? K1_8 O1_8 2.744(6) . ? K1_8 O2_8 2.794(6) . ? K1_8 O3_8 2.949(11) . ? K1_8 O4_8 2.753(5) . ? K1_8 O5_8 2.743(7) . ? K1_8 O6_8 2.335(8) . ? K1_8 C6_8 3.484(11) . ? K1_8 C7_8 3.493(9) . ? K1_8 C10_8 3.39(4) . ? O1_8 C1_8 1.406(10) . ? O1_8 C12_8 1.458(9) . ? O2_8 C2_8 1.424(9) . ? O2_8 C3_8 1.393(16) . ? O3_8 C4_8 1.39(5) . ? O3_8 C5_8 1.371(19) . ? O4_8 C6_8 1.405(13) . ? O4_8 C7_8 1.424(10) . ? O5_8 C8_8 1.397(11) . ? O5_8 C9_8 1.475(12) . ? O6_8 C10_8 1.45(5) . ? O6_8 C11_8 1.606(15) . ? C1_8 H1A_8 0.9900 . ? C1_8 H1B_8 0.9900 . ? C1_8 C2_8 1.495(11) . ? C2_8 H2A_8 0.9900 . ? C2_8 H2B_8 0.9900 . ? C3_8 H3A_8 0.9900 . ? C3_8 H3B_8 0.9900 . ? C3_8 C4_8 1.74(4) . ? C4_8 H4A_8 0.9900 . ? C4_8 H4B_8 0.9900 . ? C5_8 H5A_8 0.9900 . ? C5_8 H5B_8 0.9900 . ? C5_8 C6_8 1.46(2) . ? C6_8 H6A_8 0.9900 . ? C6_8 H6B_8 0.9900 . ? C7_8 H7A_8 0.9900 . ? C7_8 H7B_8 0.9900 . ? C7_8 C8_8 1.526(15) . ? C8_8 H8A_8 0.9900 . ? C8_8 H8B_8 0.9900 . ? C9_8 H9A_8 0.9900 . ? C9_8 H9B_8 0.9900 . ? C9_8 C10_8 1.29(5) . ? C10_8 H10A_8 0.9900 . ? C10_8 H10B_8 0.9900 . ? C11_8 H11A_8 0.9900 . ? C11_8 H11B_8 0.9900 . ? C11_8 C12_8 1.514(17) . ? C12_8 H12A_8 0.9900 . ? C12_8 H12B_8 0.9900 . ? O1_5 C2_5 1.501(17) . ? O1_5 C5_5 1.430(16) . ? C2_5 H2A_5 0.9900 . ? C2_5 H2B_5 0.9900 . ? C2_5 C3_5 1.414(17) . ? C3_5 H3A_5 0.9900 . ? C3_5 H3B_5 0.9900 . ? C3_5 C4_5 1.54(2) . ? C4_5 H4A_5 0.9900 . ? C4_5 H4B_5 0.9900 . ? C4_5 C5_5 1.43(2) . ? C5_5 H5A_5 0.9900 . ? C5_5 H5B_5 0.9900 . ? O1_15 C2_15 1.51(2) . ? O1_15 C5_15 1.40(2) . ? C2_15 H2A_15 0.9900 . ? C2_15 H2B_15 0.9900 . ? C2_15 C3_15 1.40(2) . ? C4_15 H4A_15 0.9900 . ? C4_15 H4B_15 0.9900 . ? C4_15 C3_15 1.53(3) . ? C4_15 C5_15 1.39(3) . ? C3_15 H3A_15 0.9900 . ? C3_15 H3B_15 0.9900 . ? C5_15 H5A_15 0.9900 . ? C5_15 H5B_15 0.9900 . ? C1_6 C2_6 1.408(11) . ? C1_6 C6_6 1.412(10) . ? C2_6 C3_6 1.413(9) . ? C2_6 C7_6 1.501(12) . ? C3_6 H3_6 0.9500 . ? C3_6 C4_6 1.378(11) . ? C4_6 C5_6 1.398(11) . ? C4_6 C8_6 1.524(10) . ? C5_6 H5_6 0.9500 . ? C5_6 C6_6 1.387(10) . ? C6_6 C9_6 1.531(11) . ? C7_6 H7A_6 0.9800 . ? C7_6 H7B_6 0.9800 . ? C7_6 H7C_6 0.9800 . ? C8_6 H8A_6 0.9800 . ? C8_6 H8B_6 0.9800 . ? C8_6 H8C_6 0.9800 . ? C9_6 H9A_6 0.9800 . ? C9_6 H9B_6 0.9800 . ? C9_6 H9C_6 0.9800 . ? C1_16 C2_16 1.417(12) . ? C1_16 C6_16 1.416(11) . ? C2_16 C3_16 1.408(11) . ? C2_16 C7_16 1.483(13) . ? C3_16 H3_16 0.9500 . ? C3_16 C4_16 1.385(12) . ? C4_16 C5_16 1.377(13) . ? C4_16 C8_16 1.528(12) . ? C5_16 H5_16 0.9500 . ? C5_16 C6_16 1.401(12) . ? C6_16 C9_16 1.531(12) . ? C7_16 H7A_16 0.9800 . ? C7_16 H7B_16 0.9800 . ? C7_16 H7C_16 0.9800 . ? C8_16 H8A_16 0.9800 . ? C8_16 H8B_16 0.9800 . ? C8_16 H8C_16 0.9800 . ? C9_16 H9A_16 0.9800 . ? C9_16 H9B_16 0.9800 . ? C9_16 H9C_16 0.9800 . ? C1_7 C2_7 1.408(11) . ? C1_7 C6_7 1.423(12) . ? C2_7 C3_7 1.409(11) . ? C2_7 C7_7 1.480(14) . ? C3_7 H3_7 0.9500 . ? C3_7 C4_7 1.366(12) . ? C4_7 C5_7 1.382(13) . ? C4_7 C8_7 1.524(12) . ? C5_7 H5_7 0.9500 . ? C5_7 C6_7 1.377(13) . ? C6_7 C9_7 1.549(13) . ? C7_7 H7A_7 0.9800 . ? C7_7 H7B_7 0.9800 . ? C7_7 H7C_7 0.9800 . ? C8_7 H8A_7 0.9800 . ? C8_7 H8B_7 0.9800 . ? C8_7 H8C_7 0.9800 . ? C9_7 H9A_7 0.9800 . ? C9_7 H9B_7 0.9800 . ? C9_7 H9C_7 0.9800 . ? C1_17 C2_17 1.375(18) . ? C1_17 C6_17 1.418(16) . ? C2_17 C3_17 1.428(17) . ? C2_17 C7_17 1.58(2) . ? C3_17 H3_17 0.9500 . ? C3_17 C4_17 1.443(16) . ? C4_17 C5_17 1.380(19) . ? C4_17 C8_17 1.517(19) . ? C5_17 H5_17 0.9500 . ? C5_17 C6_17 1.37(2) . ? C6_17 C9_17 1.472(18) . ? C7_17 H7A_17 0.9800 . ? C7_17 H7B_17 0.9800 . ? C7_17 H7C_17 0.9800 . ? C8_17 H8A_17 0.9800 . ? C8_17 H8B_17 0.9800 . ? C8_17 H8C_17 0.9800 . ? C9_17 H9A_17 0.9800 . ? C9_17 H9B_17 0.9800 . ? C9_17 H9C_17 0.9800 . ? 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 B1A C20_3 C21_3 C22_3 -167.6(7) . . . . ? B1A C20_3 C21_3 K1_8 93.2(7) . . . . ? B1A C1_6 C2_6 C3_6 -171.7(10) . . . . ? B1A C1_6 C2_6 C7_6 13.7(18) . . . . ? B1A C1_6 C6_6 C5_6 171.4(10) . . . . ? B1A C1_6 C6_6 C9_6 -6.7(15) . . . . ? B1A C1_7 C2_7 C3_7 -178.9(10) . . . . ? B1A C1_7 C2_7 C7_7 1.4(17) . . . . ? B1A C1_7 C6_7 C5_7 179.9(11) . . . . ? B1A C1_7 C6_7 C9_7 2.3(16) . . . . ? B1B C20_3 C21_3 C22_3 -175.6(10) . . . . ? B1B C1_16 C2_16 C3_16 -174.3(13) . . . . ? B1B C1_16 C2_16 C7_16 6(2) . . . . ? B1B C1_16 C6_16 C5_16 175.1(13) . . . . ? B1B C1_16 C6_16 C9_16 -8.0(19) . . . . ? B1B C1_17 C2_17 C3_17 179.3(13) . . . . ? B1B C1_17 C2_17 C7_17 1(2) . . . . ? B1B C1_17 C6_17 C5_17 -177.9(13) . . . . ? B1B C1_17 C6_17 C9_17 6.2(18) . . . . ? C1_1 C2_1 C3_1 C4_1 -1.7(7) . . . . ? C1_1 N1_3 C1_3 C2_3 27.7(6) . . . . ? C1_1 N1_3 C1_3 C6_3 -150.0(4) . . . . ? C2_1 C1_1 C6_1 C5_1 2.2(7) . . . . ? C2_1 C1_1 N1_3 C1_2 45.6(6) . . . . ? C2_1 C1_1 N1_3 C1_3 -113.5(5) . . . . ? C2_1 C3_1 C4_1 C5_1 2.9(8) . . . . ? C2_1 C3_1 C4_1 C7_1 -178.3(5) . . . . ? C3_1 C4_1 C5_1 C6_1 -1.6(8) . . . . ? C4_1 C5_1 C6_1 C1_1 -1.0(8) . . . . ? C6_1 C1_1 C2_1 C3_1 -0.8(7) . . . . ? C6_1 C1_1 N1_3 C1_2 -136.5(5) . . . . ? C6_1 C1_1 N1_3 C1_3 64.4(5) . . . . ? C7_1 C4_1 C5_1 C6_1 179.6(5) . . . . ? C1_2 C2_2 C3_2 C4_2 -1.4(10) . . . . ? C1_2 N1_3 C1_3 C2_3 -131.6(4) . . . . ? C1_2 N1_3 C1_3 C6_3 50.8(6) . . . . ? C2_2 C1_2 C6_2 C5_2 0.2(7) . . . . ? C2_2 C1_2 N1_3 C1_1 -138.1(5) . . . . ? C2_2 C1_2 N1_3 C1_3 20.2(7) . . . . ? C2_2 C3_2 C4_2 C5_2 0.9(9) . . . . ? C2_2 C3_2 C4_2 C7_2 -179.7(5) . . . . ? C3_2 C4_2 C5_2 C6_2 0.1(8) . . . . ? C4_2 C5_2 C6_2 C1_2 -0.7(8) . . . . ? C6_2 C1_2 C2_2 C3_2 0.8(8) . . . . ? C6_2 C1_2 N1_3 C1_1 42.5(6) . . . . ? C6_2 C1_2 N1_3 C1_3 -159.2(4) . . . . ? C7_2 C4_2 C5_2 C6_2 -179.2(5) . . . . ? N1_3 C1_1 C2_1 C3_1 177.1(4) . . . . ? N1_3 C1_1 C6_1 C5_1 -175.8(4) . . . . ? N1_3 C1_2 C2_2 C3_2 -178.6(5) . . . . ? N1_3 C1_2 C6_2 C5_2 179.6(4) . . . . ? C2_3 C3_3 C4_3 C5_3 5.9(5) . . . . ? C2_3 C3_3 C4_3 C10_3 -178.0(4) . . . . ? C2_3 C3_3 C7_3 C8_3 -174.0(4) . . . . ? C3_3 C2_3 C1_3 N1_3 -179.7(4) . . . . ? C3_3 C2_3 C1_3 C6_3 -2.0(6) . . . . ? C3_3 C4_3 C5_3 C6_3 -3.3(6) . . . . ? C3_3 C4_3 C10_3 C9_3 -12.4(5) . . . . ? C3_3 C4_3 C10_3 C14_3 174.2(3) . . . . ? C3_3 C7_3 C8_3 C9_3 -3.3(6) . . . . ? C4_3 C3_3 C7_3 C8_3 4.7(6) . . . . ? C4_3 C5_3 C6_3 C1_3 -2.0(6) . . . . ? C4_3 C10_3 C14_3 C13_3 146.5(4) . . . . ? C4_3 C10_3 C14_3 C18_3 -36.1(6) . . . . ? C5_3 C4_3 C10_3 C9_3 163.3(4) . . . . ? C5_3 C4_3 C10_3 C14_3 -10.1(6) . . . . ? C5_3 C6_3 C1_3 N1_3 -177.5(4) . . . . ? C5_3 C6_3 C1_3 C2_3 4.7(6) . . . . ? C7_3 C3_3 C4_3 C5_3 -172.8(4) . . . . ? C7_3 C3_3 C4_3 C10_3 3.3(5) . . . . ? C7_3 C8_3 C9_3 C10_3 -6.0(6) . . . . ? C7_3 C8_3 C9_3 C11_3 170.2(4) . . . . ? C8_3 C9_3 C10_3 C4_3 13.6(5) . . . . ? C8_3 C9_3 C10_3 C14_3 -172.5(3) . . . . ? C8_3 C9_3 C11_3 C12_3 -164.1(4) . . . . ? C9_3 C10_3 C14_3 C13_3 -27.0(5) . . . . ? C9_3 C10_3 C14_3 C18_3 150.4(4) . . . . ? C9_3 C11_3 C12_3 C13_3 -19.6(6) . . . . ? C10_3 C4_3 C5_3 C6_3 -179.2(4) . . . . ? C10_3 C9_3 C11_3 C12_3 12.1(6) . . . . ? C10_3 C14_3 C18_3 C17_3 167.4(3) . . . . ? C10_3 C14_3 C18_3 C22_3 -17.9(6) . . . . ? C11_3 C9_3 C10_3 C4_3 -162.7(4) . . . . ? C11_3 C9_3 C10_3 C14_3 11.2(5) . . . . ? C11_3 C12_3 C13_3 C14_3 2.9(6) . . . . ? C11_3 C12_3 C13_3 C15_3 -169.6(4) . . . . ? C12_3 C13_3 C14_3 C10_3 20.5(5) . . . . ? C12_3 C13_3 C14_3 C18_3 -157.1(4) . . . . ? C12_3 C13_3 C15_3 C16_3 167.4(4) . . . . ? C12_3 C13_3 C15_3 K1_4 -119.1(4) . . . . ? C13_3 C14_3 C18_3 C17_3 -15.2(5) . . . . ? C13_3 C14_3 C18_3 C22_3 159.5(4) . . . . ? C13_3 C15_3 C16_3 C17_3 -6.1(6) . . . . ? C13_3 C15_3 C16_3 K1_4 107.6(4) . . . . ? C14_3 C13_3 C15_3 C16_3 -5.2(6) . . . . ? C14_3 C13_3 C15_3 K1_4 68.3(4) . . . . ? C14_3 C18_3 C22_3 C21_3 179.4(4) . . . . ? C14_3 C18_3 C22_3 K1_8 -78.3(4) . . . . ? C15_3 C13_3 C14_3 C10_3 -166.8(3) . . . . ? C15_3 C13_3 C14_3 C18_3 15.6(5) . . . . ? C15_3 C16_3 C17_3 C18_3 6.6(6) . . . . ? C15_3 C16_3 C17_3 C19_3 -172.7(4) . . . . ? C16_3 C17_3 C18_3 C14_3 4.2(5) . . . . ? C16_3 C17_3 C18_3 C22_3 -171.0(3) . . . . ? C16_3 C17_3 C19_3 C20_3 176.2(4) . . . . ? C17_3 C18_3 C22_3 C21_3 -5.5(5) . . . . ? C17_3 C18_3 C22_3 K1_8 96.7(3) . . . . ? C17_3 C19_3 C20_3 B1A 169.9(7) . . . . ? C17_3 C19_3 C20_3 B1B 178.3(9) . . . . ? C17_3 C19_3 C20_3 C21_3 -4.9(6) . . . . ? C18_3 C17_3 C19_3 C20_3 -3.1(6) . . . . ? C19_3 C17_3 C18_3 C14_3 -176.5(4) . . . . ? C19_3 C17_3 C18_3 C22_3 8.3(5) . . . . ? C19_3 C20_3 C21_3 C22_3 8.0(6) . . . . ? C19_3 C20_3 C21_3 K1_8 -91.3(4) . . . . ? C20_3 B1A C1_6 C2_6 50.9(15) . . . . ? C20_3 B1A C1_6 C6_6 -124.2(10) . . . . ? C20_3 B1A C1_7 C2_7 56.6(15) . . . . ? C20_3 B1A C1_7 C6_7 -128.3(11) . . . . ? C20_3 B1B C1_16 C2_16 61(2) . . . . ? C20_3 B1B C1_16 C6_16 -116.5(16) . . . . ? C20_3 B1B C1_17 C2_17 57.0(19) . . . . ? C20_3 B1B C1_17 C6_17 -122.0(14) . . . . ? C20_3 C21_3 C22_3 C18_3 -2.9(6) . . . . ? C20_3 C21_3 C22_3 K1_8 -128.3(4) . . . . ? C1_3 C2_3 C3_3 C4_3 -3.4(6) . . . . ? C1_3 C2_3 C3_3 C7_3 175.2(4) . . . . ? K1_4 C15_3 C16_3 C17_3 -113.7(4) . . . . ? K1_4 C16_3 C17_3 C18_3 -100.0(3) . . . . ? K1_4 C16_3 C17_3 C19_3 80.7(4) . . . . ? K1_4 O2_4 C2_4 C1_4 -45.5(6) . . . . ? K1_4 O2_4 C3_4 C4_4 55.6(5) . . . . ? K1_4 O3_4 C4_4 C3_4 44.0(6) . . . . ? K1_4 O3_4 C5_4 C6_4 -36.8(7) . . . . ? K1_4 C3_4 C4_4 O3_4 -29.2(4) . . . . ? K1_4 O4_4 C7_4 C8_4 39.5(6) . . . . ? K1_4 O4_4 C6_4 C5_4 -48.4(6) . . . . ? K1_4 O5_4 C8_4 C7_4 53.2(6) . . . . ? K1_4 O5_4 C9_4 C10_4 -41.8(6) . . . . ? K1_4 O6_4 C10_4 C9_4 -54.5(5) . . . . ? K1_4 O6_4 C11_4 C12_4 50.8(6) . . . . ? K1_4 O1_5 C2_5 C3_5 135.8(11) . . . . ? K1_4 O1_5 C5_5 C4_5 -144.5(12) . . . . ? K1_4 O1_15 C2_15 C3_15 95(2) . . . . ? K1_4 O1_15 C5_15 C4_15 -102(2) . . . . ? O2_4 C3_4 C4_4 O3_4 -68.3(6) . . . . ? C2_4 C1_4 O1_4 K1_4 -47.5(6) . . . . ? C2_4 C1_4 O1_4 C12_4 174.0(5) . . . . ? C2_4 O2_4 C3_4 K1_4 128.4(5) . . . . ? C2_4 O2_4 C3_4 C4_4 -176.0(5) . . . . ? O3_4 C5_4 C6_4 K1_4 24.9(5) . . . . ? O3_4 C5_4 C6_4 O4_4 58.6(8) . . . . ? C3_4 O2_4 C2_4 C1_4 -170.2(5) . . . . ? O4_4 C7_4 C8_4 O5_4 -63.3(7) . . . . ? C4_4 O3_4 C5_4 C6_4 -176.4(6) . . . . ? O5_4 C9_4 C10_4 O6_4 64.9(6) . . . . ? C5_4 O3_4 C4_4 C3_4 -176.3(6) . . . . ? O6_4 C11_4 C12_4 O1_4 -64.8(7) . . . . ? C7_4 O4_4 C6_4 K1_4 -133.4(5) . . . . ? C7_4 O4_4 C6_4 C5_4 178.2(5) . . . . ? C8_4 O5_4 C9_4 C10_4 -175.5(5) . . . . ? C9_4 O5_4 C8_4 C7_4 -171.6(5) . . . . ? C10_4 O6_4 C11_4 C12_4 178.4(5) . . . . ? C11_4 O6_4 C10_4 C9_4 178.3(4) . . . . ? C11_4 C12_4 O1_4 K1_4 46.1(7) . . . . ? C11_4 C12_4 O1_4 C1_4 -177.1(5) . . . . ? C6_4 O4_4 C7_4 C8_4 172.0(5) . . . . ? O1_4 C1_4 C2_4 O2_4 62.4(7) . . . . ? K1_8 C21_3 C22_3 C18_3 125.4(4) . . . . ? K1_8 O1_8 C1_8 C2_8 38.7(8) . . . . ? K1_8 O1_8 C12_8 C11_8 -34.6(10) . . . . ? K1_8 O2_8 C2_8 C1_8 49.9(8) . . . . ? K1_8 O2_8 C3_8 C4_8 60(2) . . . . ? K1_8 O3_8 C4_8 C3_8 3(4) . . . . ? K1_8 O3_8 C5_8 C6_8 6.6(15) . . . . ? K1_8 O4_8 C6_8 C5_8 -67.0(12) . . . . ? K1_8 O4_8 C7_8 C8_8 -54.7(10) . . . . ? K1_8 O5_8 C8_8 C7_8 -33.7(10) . . . . ? K1_8 O5_8 C9_8 C10_8 31(2) . . . . ? K1_8 O6_8 C10_8 C9_8 44(5) . . . . ? K1_8 O6_8 C11_8 C12_8 -35.3(14) . . . . ? K1_8 C7_8 C8_8 O5_8 22.8(7) . . . . ? O1_8 C1_8 C2_8 O2_8 -59.4(9) . . . . ? O2_8 C3_8 C4_8 O3_8 -41(3) . . . . ? O3_8 C5_8 C6_8 K1_8 -5.2(11) . . . . ? O3_8 C5_8 C6_8 O4_8 38.2(17) . . . . ? O4_8 C7_8 C8_8 O5_8 60.5(11) . . . . ? O5_8 C9_8 C10_8 K1_8 -20.6(15) . . . . ? O5_8 C9_8 C10_8 O6_8 -44(4) . . . . ? O6_8 C11_8 C12_8 O1_8 39.7(12) . . . . ? C1_8 O1_8 C12_8 C11_8 177.7(8) . . . . ? C2_8 O2_8 C3_8 C4_8 -171.1(19) . . . . ? C3_8 O2_8 C2_8 C1_8 -79.0(11) . . . . ? C4_8 O3_8 C5_8 C6_8 159(2) . . . . ? C5_8 O3_8 C4_8 C3_8 -147.0(19) . . . . ? C6_8 O4_8 C7_8 K1_8 123.0(9) . . . . ? C6_8 O4_8 C7_8 C8_8 68.3(12) . . . . ? C7_8 O4_8 C6_8 K1_8 -122.9(8) . . . . ? C7_8 O4_8 C6_8 C5_8 170.1(10) . . . . ? C8_8 O5_8 C9_8 C10_8 -175(2) . . . . ? C9_8 O5_8 C8_8 C7_8 170.8(10) . . . . ? C10_8 O6_8 C11_8 C12_8 159(2) . . . . ? C11_8 O6_8 C10_8 K1_8 167(2) . . . . ? C11_8 O6_8 C10_8 C9_8 -150(3) . . . . ? C12_8 O1_8 C1_8 C2_8 -173.2(8) . . . . ? O1_5 C2_5 C3_5 C4_5 25.5(19) . . . . ? C2_5 O1_5 C5_5 C4_5 13.0(19) . . . . ? C2_5 C3_5 C4_5 C5_5 -17(2) . . . . ? C3_5 C4_5 C5_5 O1_5 2(2) . . . . ? C5_5 O1_5 C2_5 C3_5 -24.1(18) . . . . ? O1_15 C2_15 C3_15 C4_15 2(4) . . . . ? C2_15 O1_15 C5_15 K1_4 112(2) . . . . ? C2_15 O1_15 C5_15 C4_15 9(4) . . . . ? C3_15 C4_15 C5_15 K1_4 -74(3) . . . . ? C3_15 C4_15 C5_15 O1_15 -8(4) . . . . ? C5_15 O1_15 C2_15 C3_15 -7(4) . . . . ? C5_15 C4_15 C3_15 C2_15 4(4) . . . . ? C1_6 B1A C20_3 C19_3 4.9(14) . . . . ? C1_6 B1A C20_3 C21_3 179.5(7) . . . . ? C1_6 B1A C1_7 C2_7 -120.0(12) . . . . ? C1_6 B1A C1_7 C6_7 55.1(15) . . . . ? C1_6 C2_6 C3_6 C4_6 0.9(15) . . . . ? C2_6 C1_6 C6_6 C5_6 -4.1(13) . . . . ? C2_6 C1_6 C6_6 C9_6 177.9(9) . . . . ? C2_6 C3_6 C4_6 C5_6 -5.1(13) . . . . ? C2_6 C3_6 C4_6 C8_6 176.4(9) . . . . ? C3_6 C4_6 C5_6 C6_6 4.7(13) . . . . ? C4_6 C5_6 C6_6 C1_6 0.0(13) . . . . ? C4_6 C5_6 C6_6 C9_6 178.2(8) . . . . ? C6_6 C1_6 C2_6 C3_6 3.6(14) . . . . ? C6_6 C1_6 C2_6 C7_6 -171.0(11) . . . . ? C7_6 C2_6 C3_6 C4_6 176.0(11) . . . . ? C8_6 C4_6 C5_6 C6_6 -176.8(8) . . . . ? C1_16 B1B C20_3 C19_3 0.5(19) . . . . ? C1_16 B1B C20_3 C21_3 -175.7(10) . . . . ? C1_16 B1B C1_17 C2_17 -119.6(15) . . . . ? C1_16 B1B C1_17 C6_17 61.4(19) . . . . ? C1_16 C2_16 C3_16 C4_16 -1.4(19) . . . . ? C2_16 C1_16 C6_16 C5_16 -2.8(18) . . . . ? C2_16 C1_16 C6_16 C9_16 174.1(11) . . . . ? C2_16 C3_16 C4_16 C5_16 -1.8(18) . . . . ? C2_16 C3_16 C4_16 C8_16 179.3(11) . . . . ? C3_16 C4_16 C5_16 C6_16 2.6(18) . . . . ? C4_16 C5_16 C6_16 C1_16 -0.2(18) . . . . ? C4_16 C5_16 C6_16 C9_16 -177.2(11) . . . . ? C6_16 C1_16 C2_16 C3_16 3.5(18) . . . . ? C6_16 C1_16 C2_16 C7_16 -175.8(15) . . . . ? C7_16 C2_16 C3_16 C4_16 178.1(14) . . . . ? C8_16 C4_16 C5_16 C6_16 -178.5(11) . . . . ? C1_7 B1A C20_3 C19_3 -171.8(8) . . . . ? C1_7 B1A C20_3 C21_3 2.8(14) . . . . ? C1_7 B1A C1_6 C2_6 -132.3(11) . . . . ? C1_7 B1A C1_6 C6_6 52.6(16) . . . . ? C1_7 C2_7 C3_7 C4_7 -4.0(15) . . . . ? C2_7 C1_7 C6_7 C5_7 -4.8(16) . . . . ? C2_7 C1_7 C6_7 C9_7 177.7(11) . . . . ? C2_7 C3_7 C4_7 C5_7 0.4(15) . . . . ? C2_7 C3_7 C4_7 C8_7 -178.3(10) . . . . ? C3_7 C4_7 C5_7 C6_7 0.9(17) . . . . ? C4_7 C5_7 C6_7 C1_7 1.4(18) . . . . ? C4_7 C5_7 C6_7 C9_7 178.9(11) . . . . ? C6_7 C1_7 C2_7 C3_7 6.0(14) . . . . ? C6_7 C1_7 C2_7 C7_7 -173.8(12) . . . . ? C7_7 C2_7 C3_7 C4_7 175.8(12) . . . . ? C8_7 C4_7 C5_7 C6_7 179.6(11) . . . . ? C1_17 B1B C20_3 C19_3 -175.8(9) . . . . ? C1_17 B1B C20_3 C21_3 8.0(18) . . . . ? C1_17 B1B C1_16 C2_16 -122.6(14) . . . . ? C1_17 B1B C1_16 C6_16 59.6(19) . . . . ? C1_17 C2_17 C3_17 C4_17 -2.9(18) . . . . ? C2_17 C1_17 C6_17 C5_17 3.0(18) . . . . ? C2_17 C1_17 C6_17 C9_17 -172.9(11) . . . . ? C2_17 C3_17 C4_17 C5_17 6.1(16) . . . . ? C2_17 C3_17 C4_17 C8_17 -180.0(12) . . . . ? C3_17 C4_17 C5_17 C6_17 -4.9(18) . . . . ? C4_17 C5_17 C6_17 C1_17 0(2) . . . . ? C4_17 C5_17 C6_17 C9_17 176.3(12) . . . . ? C6_17 C1_17 C2_17 C3_17 -1.6(17) . . . . ? C6_17 C1_17 C2_17 C7_17 -179.9(15) . . . . ? C7_17 C2_17 C3_17 C4_17 175.5(13) . . . . ? C8_17 C4_17 C5_17 C6_17 -178.7(13) . . . . ? loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z 7.5998 0.6967 8.2539 0.2032 0.8437 0.4969 -1.1691 -2.4408 10.7900 0.9832 0.1822 -0.0091 1.1691 2.4408 -10.7900 -0.9832 -0.1822 0.0091 -0.5721 -9.3591 -1.7386 -0.1160 0.6307 -0.7673 -0.2847 9.0260 1.2390 0.1293 -0.7017 0.7007 -7.4149 -0.0391 -8.2012 -0.2103 -0.8735 -0.4391