data_compound_3 _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ; C53 H68 Al N2 O, C18 H36 K N2 O6, 2(C6 H6) ; _chemical_formula_sum 'C83 H116 Al K N4 O7' _chemical_formula_weight 1347.87 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' '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' 'Al' 'Al' 0.2130 0.2455 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/c' _space_group_name_Hall '-P 2ybc' _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. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 20.5108(2) _cell_length_b 12.91510(10) _cell_length_c 29.5577(3) _cell_angle_alpha 90 _cell_angle_beta 93.0900(10) _cell_angle_gamma 90 _cell_volume 7818.42(13) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 19445 _cell_measurement_theta_min 3.6900 _cell_measurement_theta_max 76.1160 _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.145 _exptl_crystal_F_000 2920 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.220 _exptl_crystal_size_mid 0.070 _exptl_crystal_size_min 0.030 _exptl_absorpt_coefficient_mu 1.124 _shelx_estimated_absorpt_T_min 0.790 _shelx_estimated_absorpt_T_max 0.967 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.92710 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 1.54184 _diffrn_radiation_type CuK\a _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, Atlas' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean 10.4102 _diffrn_reflns_number 92769 _diffrn_reflns_av_unetI/netI 0.0356 _diffrn_reflns_av_R_equivalents 0.0569 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -35 _diffrn_reflns_limit_l_max 36 _diffrn_reflns_theta_min 3.596 _diffrn_reflns_theta_max 76.276 _diffrn_reflns_theta_full 67.684 _diffrn_measured_fraction_theta_max 0.992 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.992 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.992 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 16265 _reflns_number_gt 12673 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_cell_refinement 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_data_reduction 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0592P)^2^+2.1382P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 16265 _refine_ls_number_parameters 936 _refine_ls_number_restraints 96 _refine_ls_R_factor_all 0.0620 _refine_ls_R_factor_gt 0.0448 _refine_ls_wR_factor_ref 0.1231 _refine_ls_wR_factor_gt 0.1125 _refine_ls_goodness_of_fit_ref 1.028 _refine_ls_restrained_S_all 1.039 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 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 K1 K 0.81410(2) -0.01282(3) 0.57220(2) 0.03273(9) Uani 1 1 d . . . . . Al1 Al 0.69711(2) 0.40716(3) 0.43003(2) 0.01997(9) Uani 1 1 d . . . . . O1 O 0.65456(5) 0.54258(8) 0.39929(3) 0.0224(2) Uani 1 1 d . . . . . O2 O 0.79472(7) -0.22711(10) 0.57080(5) 0.0408(3) Uani 1 1 d . . . . . O3 O 0.87483(8) -0.14062(12) 0.64228(5) 0.0500(4) Uani 1 1 d . . . . . O4 O 0.68247(7) 0.03352(12) 0.57583(5) 0.0468(3) Uani 1 1 d . . . . . O5 O 0.77384(9) 0.13834(12) 0.63426(5) 0.0512(4) Uani 1 1 d . . . . . O6 O 0.83921(7) -0.00070(12) 0.48038(5) 0.0451(3) Uani 1 1 d . . . . . O7 O 0.93403(7) 0.07571(13) 0.54258(7) 0.0609(5) Uani 1 1 d . . . . . N1 N 0.61062(6) 0.36156(9) 0.40592(4) 0.0212(2) Uani 1 1 d . . . . . N2 N 0.76837(6) 0.47084(10) 0.39671(4) 0.0233(2) Uani 1 1 d . . . . . N3 N 0.71977(8) -0.10293(13) 0.50220(6) 0.0440(4) Uani 1 1 d . . . . . N4 N 0.91356(12) 0.07731(17) 0.64186(8) 0.0683(6) Uani 1 1 d . . . . . C1 C 0.59137(7) 0.53177(11) 0.38036(5) 0.0202(3) Uani 1 1 d . . . . . C2 C 0.56697(7) 0.43193(11) 0.38620(5) 0.0203(3) Uani 1 1 d . . . . . C3 C 0.50194(7) 0.41737(11) 0.37006(5) 0.0227(3) Uani 1 1 d . . . . . H3 H 0.481527 0.352262 0.374152 0.027 Uiso 1 1 calc R U . . . C4 C 0.46666(7) 0.49751(12) 0.34800(5) 0.0221(3) Uani 1 1 d . . . . . C5 C 0.49652(7) 0.59260(11) 0.34067(5) 0.0226(3) Uani 1 1 d . . . . . H5 H 0.473003 0.645299 0.324387 0.027 Uiso 1 1 calc R U . . . C6 C 0.56075(7) 0.61128(11) 0.35706(5) 0.0214(3) Uani 1 1 d . . . . . C7 C 0.59796(7) 0.71347(11) 0.35234(5) 0.0242(3) Uani 1 1 d . . . . . C8 C 0.67117(7) 0.68845(12) 0.35098(5) 0.0238(3) Uani 1 1 d . . . . . C9 C 0.71682(8) 0.74497(12) 0.32736(5) 0.0276(3) Uani 1 1 d . . . . . H9 H 0.703285 0.805692 0.311329 0.033 Uiso 1 1 calc R U . . . C10 C 0.78195(8) 0.71320(13) 0.32708(5) 0.0292(3) Uani 1 1 d . . . . . C11 C 0.80265(8) 0.62358(13) 0.35028(5) 0.0280(3) Uani 1 1 d . . . . . H11 H 0.846932 0.602362 0.349574 0.034 Uiso 1 1 calc R U . . . C12 C 0.75868(7) 0.56432(12) 0.37468(5) 0.0238(3) Uani 1 1 d . . . . . C13 C 0.69512(7) 0.60366(12) 0.37439(5) 0.0228(3) Uani 1 1 d . . . . . C14 C 0.82995(9) 0.77788(14) 0.30010(6) 0.0344(4) Uani 1 1 d . . . . . C15 C 0.80310(13) 0.7957(2) 0.25185(7) 0.0629(7) Uani 1 1 d . . . . . H15A H 0.761697 0.833474 0.252304 0.094 Uiso 1 1 calc R U . . . H15B H 0.795793 0.728860 0.236732 0.094 Uiso 1 1 calc R U . . . H15C H 0.834480 0.836325 0.235368 0.094 Uiso 1 1 calc R U . . . C16 C 0.84169(13) 0.88137(19) 0.32422(9) 0.0588(6) Uani 1 1 d . . . . . H16A H 0.873447 0.921993 0.308082 0.088 Uiso 1 1 calc R U . . . H16B H 0.858685 0.868874 0.355364 0.088 Uiso 1 1 calc R U . . . H16C H 0.800474 0.919638 0.324682 0.088 Uiso 1 1 calc R U . . . C17 C 0.89673(11) 0.7255(2) 0.29713(9) 0.0567(6) Uani 1 1 d . . . . . H17A H 0.925726 0.770617 0.280704 0.085 Uiso 1 1 calc R U . . . H17B H 0.891315 0.659431 0.281049 0.085 Uiso 1 1 calc R U . . . H17C H 0.915807 0.712935 0.327757 0.085 Uiso 1 1 calc R U . . . C18 C 0.58698(9) 0.78012(13) 0.39438(6) 0.0318(3) Uani 1 1 d . . . . . H18A H 0.611410 0.845027 0.392423 0.048 Uiso 1 1 calc R U . . . H18B H 0.602187 0.742351 0.421706 0.048 Uiso 1 1 calc R U . . . H18C H 0.540335 0.795434 0.395800 0.048 Uiso 1 1 calc R U . . . C19 C 0.57349(9) 0.77248(13) 0.30996(6) 0.0338(4) Uani 1 1 d . . . . . H19A H 0.579611 0.729839 0.283097 0.051 Uiso 1 1 calc R U . . . H19B H 0.598147 0.837086 0.307675 0.051 Uiso 1 1 calc R U . . . H19C H 0.527004 0.788352 0.311935 0.051 Uiso 1 1 calc R U . . . C20 C 0.39630(8) 0.47862(13) 0.32905(5) 0.0276(3) Uani 1 1 d . . . . . C21 C 0.36141(9) 0.39783(17) 0.35628(8) 0.0469(5) Uani 1 1 d . . . . . H21A H 0.362753 0.418508 0.388214 0.070 Uiso 1 1 calc R U . . . H21B H 0.383109 0.330713 0.353466 0.070 Uiso 1 1 calc R U . . . H21C H 0.315866 0.392183 0.344704 0.070 Uiso 1 1 calc R U . . . C22 C 0.35547(10) 0.57709(18) 0.33024(12) 0.0676(8) Uani 1 1 d . . . . . H22A H 0.310051 0.561171 0.320754 0.101 Uiso 1 1 calc R U . . . H22B H 0.372708 0.628456 0.309601 0.101 Uiso 1 1 calc R U . . . H22C H 0.357390 0.604958 0.361117 0.101 Uiso 1 1 calc R U . . . C23 C 0.39948(11) 0.4400(3) 0.28061(7) 0.0713(9) Uani 1 1 d . . . . . H23A H 0.423644 0.374568 0.280502 0.107 Uiso 1 1 calc R U . . . H23B H 0.421739 0.491540 0.262615 0.107 Uiso 1 1 calc R U . . . H23C H 0.355105 0.429072 0.267508 0.107 Uiso 1 1 calc R U . . . C24 C 0.58359(7) 0.26244(11) 0.41587(5) 0.0230(3) Uani 1 1 d . . . . . C25 C 0.59352(8) 0.17702(12) 0.38720(6) 0.0275(3) Uani 1 1 d . . . . . C26 C 0.56673(9) 0.08142(13) 0.39777(6) 0.0343(4) Uani 1 1 d . . . . . H26 H 0.574144 0.023467 0.378937 0.041 Uiso 1 1 calc R U . . . C27 C 0.52966(9) 0.06911(13) 0.43502(7) 0.0375(4) Uani 1 1 d . . . . . H27 H 0.511344 0.003533 0.441471 0.045 Uiso 1 1 calc R U . . . C28 C 0.51942(8) 0.15258(14) 0.46277(6) 0.0345(4) Uani 1 1 d . . . . . H28 H 0.493737 0.143889 0.488302 0.041 Uiso 1 1 calc R U . . . C29 C 0.54610(7) 0.25002(12) 0.45414(5) 0.0270(3) Uani 1 1 d . . . . . C30 C 0.53354(8) 0.33855(13) 0.48624(6) 0.0306(3) Uani 1 1 d . . . . . H30 H 0.556712 0.401108 0.475287 0.037 Uiso 1 1 calc R U . . . C31 C 0.56091(10) 0.31459(17) 0.53441(6) 0.0411(4) Uani 1 1 d . . . . . H31A H 0.539128 0.253145 0.545868 0.062 Uiso 1 1 calc R U . . . H31B H 0.553157 0.373733 0.554182 0.062 Uiso 1 1 calc R U . . . H31C H 0.607947 0.301574 0.533960 0.062 Uiso 1 1 calc R U . . . C32 C 0.46070(9) 0.36444(16) 0.48667(7) 0.0423(4) Uani 1 1 d . . . . . H32A H 0.444846 0.387046 0.456394 0.063 Uiso 1 1 calc R U . . . H32B H 0.454180 0.420040 0.508528 0.063 Uiso 1 1 calc R U . . . H32C H 0.436479 0.302794 0.495356 0.063 Uiso 1 1 calc R U . . . C33 C 0.63031(9) 0.18850(14) 0.34435(6) 0.0346(4) Uani 1 1 d . . . . . H33 H 0.663349 0.244700 0.349751 0.042 Uiso 1 1 calc R U . . . C34 C 0.66698(12) 0.09068(19) 0.33166(8) 0.0530(5) Uani 1 1 d . . . . . H34A H 0.696222 0.069217 0.357268 0.080 Uiso 1 1 calc R U . . . H34B H 0.692661 0.104853 0.305338 0.080 Uiso 1 1 calc R U . . . H34C H 0.635602 0.035215 0.324237 0.080 Uiso 1 1 calc R U . . . C35 C 0.58449(12) 0.22201(17) 0.30475(7) 0.0469(5) Uani 1 1 d . . . . . H35A H 0.551827 0.167861 0.298312 0.070 Uiso 1 1 calc R U . . . H35B H 0.609675 0.233257 0.277931 0.070 Uiso 1 1 calc R U . . . H35C H 0.562509 0.286461 0.312538 0.070 Uiso 1 1 calc R U . . . C36 C 0.83389(7) 0.43410(13) 0.40327(5) 0.0263(3) Uani 1 1 d . . . . . C37 C 0.85530(9) 0.34934(15) 0.37763(7) 0.0370(4) Uani 1 1 d . . . . . C38 C 0.91730(10) 0.30787(18) 0.38805(8) 0.0510(5) Uani 1 1 d . . . . . H38 H 0.931706 0.250527 0.371113 0.061 Uiso 1 1 calc R U . . . C39 C 0.95793(10) 0.3481(2) 0.42221(9) 0.0545(6) Uani 1 1 d . . . . . H39 H 0.999385 0.317579 0.429289 0.065 Uiso 1 1 calc R U . . . C40 C 0.93802(9) 0.43244(18) 0.44593(7) 0.0441(5) Uani 1 1 d . . . . . H40 H 0.966702 0.461307 0.468886 0.053 Uiso 1 1 calc R U . . . C41 C 0.87641(8) 0.47723(14) 0.43718(6) 0.0299(3) Uani 1 1 d . . . . . C42 C 0.85843(8) 0.56951(14) 0.46547(6) 0.0330(4) Uani 1 1 d . . . . . H42 H 0.811513 0.586714 0.458132 0.040 Uiso 1 1 calc R U . . . C43 C 0.90003(11) 0.66406(17) 0.45419(8) 0.0497(5) Uani 1 1 d . . . . . H43A H 0.946401 0.646843 0.459111 0.075 Uiso 1 1 calc R U . . . H43B H 0.889260 0.722047 0.473826 0.075 Uiso 1 1 calc R U . . . H43C H 0.890951 0.683586 0.422434 0.075 Uiso 1 1 calc R U . . . C44 C 0.86717(9) 0.54704(19) 0.51620(6) 0.0442(5) Uani 1 1 d . . . . . H44A H 0.843084 0.484070 0.523280 0.066 Uiso 1 1 calc R U . . . H44B H 0.850388 0.605417 0.533275 0.066 Uiso 1 1 calc R U . . . H44C H 0.913641 0.537222 0.524571 0.066 Uiso 1 1 calc R U . . . C45 C 0.81265(10) 0.30570(18) 0.33892(7) 0.0475(5) Uani 1 1 d . . . . . H45 H 0.766655 0.306939 0.348531 0.057 Uiso 1 1 calc R U . . . C46 C 0.81504(16) 0.3734(3) 0.29684(8) 0.0726(8) Uani 1 1 d . . . . . H46A H 0.803274 0.444629 0.304406 0.109 Uiso 1 1 calc R U . . . H46B H 0.784121 0.346846 0.273197 0.109 Uiso 1 1 calc R U . . . H46C H 0.859266 0.372273 0.285846 0.109 Uiso 1 1 calc R U . . . C47 C 0.82857(16) 0.1936(2) 0.32733(12) 0.0817(9) Uani 1 1 d . . . . . H47A H 0.872456 0.190054 0.315839 0.123 Uiso 1 1 calc R U . . . H47B H 0.796640 0.168042 0.304108 0.123 Uiso 1 1 calc R U . . . H47C H 0.826843 0.150730 0.354596 0.123 Uiso 1 1 calc R U . . . C48 C 0.73664(8) 0.26996(12) 0.44352(6) 0.0287(3) Uani 1 1 d . . . . . H48 H 0.737728 0.225053 0.418116 0.034 Uiso 1 1 calc R U . . . C49 C 0.76234(9) 0.22920(14) 0.48266(7) 0.0362(4) Uani 1 1 d . . . . . H49 H 0.779786 0.161513 0.479838 0.043 Uiso 1 1 calc R U . . . C50 C 0.76783(10) 0.27112(16) 0.52824(7) 0.0444(5) Uani 1 1 d . . . . . H50 H 0.792420 0.227705 0.548724 0.053 Uiso 1 1 calc R U . . . C51 C 0.74610(11) 0.35760(17) 0.54836(6) 0.0445(5) Uani 1 1 d . . . . . H51 H 0.756697 0.359699 0.580034 0.053 Uiso 1 1 calc R U . . . C52 C 0.71026(9) 0.44732(14) 0.53196(6) 0.0348(4) Uani 1 1 d . . . . . H52 H 0.698640 0.494384 0.554874 0.042 Uiso 1 1 calc R U . . . C53 C 0.69060(8) 0.47535(12) 0.48963(5) 0.0269(3) Uani 1 1 d . . . . . H53 H 0.669398 0.540743 0.487952 0.032 Uiso 1 1 calc R U . . . C54 C 0.72849(13) -0.21563(17) 0.50225(8) 0.0552(6) Uani 1 1 d . . . . . H54A H 0.768148 -0.232709 0.486100 0.066 Uiso 1 1 calc R U . . . H54B H 0.690715 -0.247809 0.485384 0.066 Uiso 1 1 calc R U . . . C55 C 0.73477(12) -0.26141(17) 0.54902(9) 0.0542(6) Uani 1 1 d . . . . . H55A H 0.697601 -0.239133 0.566700 0.065 Uiso 1 1 calc R U . . . H55B H 0.734298 -0.337944 0.547131 0.065 Uiso 1 1 calc R U . . . C56 C 0.80692(12) -0.27621(16) 0.61321(7) 0.0480(5) Uani 1 1 d . . . . . H56A H 0.803719 -0.352264 0.609556 0.058 Uiso 1 1 calc R U . . . H56B H 0.774080 -0.253951 0.634551 0.058 Uiso 1 1 calc R U . . . C57 C 0.87365(12) -0.24750(17) 0.63144(7) 0.0486(5) Uani 1 1 d . . . . . H57A H 0.885353 -0.288829 0.658893 0.058 Uiso 1 1 calc R U . . . H57B H 0.905917 -0.262371 0.608569 0.058 Uiso 1 1 calc R U . . . C58 C 0.93728(15) -0.1077(2) 0.65897(11) 0.0748(8) Uani 1 1 d . . . . . H58A H 0.968125 -0.108483 0.634339 0.090 Uiso 1 1 calc R U . . . H58B H 0.954140 -0.154846 0.683299 0.090 Uiso 1 1 calc R U . . . C59 C 0.93087(19) 0.0011(2) 0.67733(11) 0.0904(12) Uani 1 1 d . . . . . H59A H 0.896964 0.001618 0.699931 0.108 Uiso 1 1 calc R U . . . H59B H 0.972756 0.021571 0.693012 0.108 Uiso 1 1 calc R U . . . C60 C 0.65310(10) -0.07652(19) 0.51345(9) 0.0567(6) Uani 1 1 d . . . . . H60A H 0.638021 -0.127635 0.535556 0.068 Uiso 1 1 calc R U . . . H60B H 0.624039 -0.081916 0.485706 0.068 Uiso 1 1 calc R U . . . C61 C 0.64698(10) 0.03014(19) 0.53293(8) 0.0519(5) Uani 1 1 d . . . . . H61A H 0.664779 0.081926 0.512202 0.062 Uiso 1 1 calc R U . . . H61B H 0.600450 0.046592 0.536715 0.062 Uiso 1 1 calc R U . . . C62 C 0.66611(12) 0.12274(19) 0.60118(9) 0.0591(6) Uani 1 1 d . . . . . H62A H 0.619362 0.120404 0.607872 0.071 Uiso 1 1 calc R U . . . H62B H 0.673667 0.186008 0.583285 0.071 Uiso 1 1 calc R U . . . C63 C 0.70707(15) 0.1257(2) 0.64420(8) 0.0638(7) Uani 1 1 d . . . . . H63A H 0.693188 0.183874 0.663230 0.077 Uiso 1 1 calc R U . . . H63B H 0.701600 0.060482 0.661212 0.077 Uiso 1 1 calc R U . . . C64 C 0.81400(19) 0.1514(2) 0.67415(8) 0.0746(9) Uani 1 1 d . . . . . H64A H 0.811553 0.089071 0.693484 0.089 Uiso 1 1 calc R U . . . H64B H 0.798817 0.211612 0.691443 0.089 Uiso 1 1 calc R U . . . C65 C 0.88295(19) 0.1684(2) 0.66168(11) 0.0839(10) Uani 1 1 d . . . . . H65A H 0.883710 0.226258 0.639738 0.101 Uiso 1 1 calc R U . . . H65B H 0.909354 0.189499 0.689165 0.101 Uiso 1 1 calc R U . . . C66 C 0.73243(13) -0.05911(19) 0.45766(7) 0.0545(6) Uani 1 1 d . . . . . H66A H 0.715688 0.012779 0.456329 0.065 Uiso 1 1 calc R U . . . H66B H 0.707594 -0.099512 0.434061 0.065 Uiso 1 1 calc R U . . . C67 C 0.80266(14) -0.05804(19) 0.44681(7) 0.0570(6) Uani 1 1 d . . . . . H67A H 0.819419 -0.129841 0.445826 0.068 Uiso 1 1 calc R U . . . H67B H 0.807329 -0.026128 0.416707 0.068 Uiso 1 1 calc R U . . . C68 C 0.90243(12) 0.0261(3) 0.46767(10) 0.0744(9) Uani 1 1 d . . . . . H68A H 0.900530 0.048768 0.435630 0.089 Uiso 1 1 calc R U . . . H68B H 0.931479 -0.034976 0.470639 0.089 Uiso 1 1 calc R U . . . C69 C 0.92885(12) 0.1109(3) 0.49712(12) 0.0828(11) Uani 1 1 d . . . . . H69A H 0.972357 0.132053 0.487428 0.099 Uiso 1 1 calc R U . . . H69B H 0.899492 0.171752 0.494604 0.099 Uiso 1 1 calc R U . . . C70 C 0.95786(14) 0.1544(2) 0.57262(14) 0.0872(11) Uani 1 1 d . . . . . H70A H 0.924877 0.210014 0.574438 0.105 Uiso 1 1 calc R U . . . H70B H 0.998145 0.184985 0.561328 0.105 Uiso 1 1 calc R U . . . C71 C 0.97206(15) 0.1080(3) 0.61867(13) 0.0911(11) Uani 1 1 d . . . . . H71A H 1.000151 0.046366 0.615519 0.109 Uiso 1 1 calc R U . . . H71B H 0.996910 0.158889 0.637787 0.109 Uiso 1 1 calc R U . . . C72 C 0.56022(12) 0.5098(2) 0.19380(10) 0.0633(7) Uani 1 1 d . . . . . H72 H 0.521591 0.490523 0.176677 0.076 Uiso 1 1 calc R U . . . C73 C 0.59762(13) 0.5897(2) 0.17930(9) 0.0615(6) Uani 1 1 d . . . . . H73 H 0.584944 0.626198 0.152339 0.074 Uiso 1 1 calc R U . . . C74 C 0.65409(14) 0.61685(19) 0.20425(9) 0.0608(6) Uani 1 1 d . . . . . H74 H 0.680270 0.672350 0.194461 0.073 Uiso 1 1 calc R U . . . C75 C 0.67228(13) 0.56387(19) 0.24303(8) 0.0562(6) Uani 1 1 d . . . . . H75 H 0.711320 0.582181 0.259889 0.067 Uiso 1 1 calc R U . . . C76 C 0.63432(13) 0.4845(2) 0.25757(8) 0.0553(6) Uani 1 1 d . . . . . H76 H 0.646758 0.448299 0.284651 0.066 Uiso 1 1 calc R U . . . C77 C 0.57806(12) 0.4574(2) 0.23280(9) 0.0614(6) Uani 1 1 d . . . . . H77 H 0.551666 0.402334 0.242783 0.074 Uiso 1 1 calc R U . . . C78 C 1.0150(3) 0.5222(7) 0.3372(2) 0.0665(17) Uani 0.466(11) 1 d D U P A 1 H78 H 0.974192 0.497769 0.346515 0.080 Uiso 0.466(11) 1 calc R U P A 1 C79 C 1.0230(3) 0.5453(8) 0.2919(2) 0.0694(18) Uani 0.466(11) 1 d D U P A 1 H79 H 0.985677 0.550231 0.271573 0.083 Uiso 0.466(11) 1 calc R U P A 1 C80 C 1.0845(4) 0.5613(9) 0.2759(2) 0.071(2) Uani 0.466(11) 1 d D U P A 1 H80 H 1.089838 0.575788 0.244829 0.085 Uiso 0.466(11) 1 calc R U P A 1 C81 C 1.1381(3) 0.5554(7) 0.3067(3) 0.0689(19) Uani 0.466(11) 1 d D U P A 1 H81 H 1.180998 0.555433 0.296162 0.083 Uiso 0.466(11) 1 calc R U P A 1 C82 C 1.1289(4) 0.5497(6) 0.3526(3) 0.0678(19) Uani 0.466(11) 1 d D U P A 1 H82 H 1.165459 0.555710 0.373661 0.081 Uiso 0.466(11) 1 calc R U P A 1 C83 C 1.0667(5) 0.5350(5) 0.36852(18) 0.0623(18) Uani 0.466(11) 1 d D U P A 1 H83 H 1.060136 0.533909 0.400085 0.075 Uiso 0.466(11) 1 calc R U P A 1 C78A C 1.0729(3) 0.5379(8) 0.2740(2) 0.0720(18) Uani 0.534(11) 1 d D U P A 2 H78A H 1.063249 0.535369 0.242236 0.086 Uiso 0.534(11) 1 calc R U P A 2 C79A C 1.0240(3) 0.5197(7) 0.3033(3) 0.0810(19) Uani 0.534(11) 1 d D U P A 2 H79A H 0.981686 0.499203 0.292057 0.097 Uiso 0.534(11) 1 calc R U P A 2 C80A C 1.0377(4) 0.5319(6) 0.3499(3) 0.0779(18) Uani 0.534(11) 1 d D U P A 2 H80A H 1.003255 0.530890 0.370094 0.093 Uiso 0.534(11) 1 calc R U P A 2 C81A C 1.1017(5) 0.5455(6) 0.36650(16) 0.0670(17) Uani 0.534(11) 1 d D U P A 2 H81A H 1.111845 0.546821 0.398237 0.080 Uiso 0.534(11) 1 calc R U P A 2 C82A C 1.1507(3) 0.5572(5) 0.33642(19) 0.0563(14) Uani 0.534(11) 1 d D U P A 2 H82A H 1.194875 0.563486 0.347558 0.068 Uiso 0.534(11) 1 calc R U P A 2 C83A C 1.1357(3) 0.5598(6) 0.29040(18) 0.0579(14) Uani 0.534(11) 1 d D U P A 2 H83A H 1.168422 0.576599 0.270058 0.069 Uiso 0.534(11) 1 calc R U 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 K1 0.02993(17) 0.03127(18) 0.03663(18) -0.00213(14) -0.00160(13) -0.00156(14) Al1 0.01840(19) 0.01833(19) 0.0230(2) 0.00158(15) -0.00026(15) -0.00086(15) O1 0.0182(5) 0.0222(5) 0.0265(5) 0.0075(4) -0.0027(4) -0.0044(4) O2 0.0469(7) 0.0320(6) 0.0434(7) 0.0055(5) 0.0013(6) -0.0064(6) O3 0.0549(9) 0.0468(8) 0.0469(8) -0.0032(6) -0.0087(7) 0.0168(7) O4 0.0378(7) 0.0451(8) 0.0580(8) 0.0128(6) 0.0069(6) 0.0095(6) O5 0.0793(11) 0.0437(8) 0.0310(7) 0.0005(6) 0.0071(7) 0.0094(7) O6 0.0378(7) 0.0538(8) 0.0446(7) 0.0082(6) 0.0100(6) 0.0091(6) O7 0.0343(7) 0.0550(10) 0.0930(13) 0.0231(9) -0.0001(8) -0.0129(7) N1 0.0191(6) 0.0171(6) 0.0272(6) 0.0029(5) -0.0007(5) -0.0015(4) N2 0.0194(6) 0.0248(6) 0.0255(6) 0.0032(5) 0.0002(5) -0.0025(5) N3 0.0408(9) 0.0377(9) 0.0519(9) 0.0030(7) -0.0127(7) -0.0088(7) N4 0.0730(14) 0.0531(12) 0.0741(14) -0.0148(10) -0.0386(12) -0.0021(10) C1 0.0170(6) 0.0212(7) 0.0221(6) 0.0009(5) -0.0013(5) -0.0018(5) C2 0.0211(7) 0.0181(6) 0.0215(6) 0.0008(5) 0.0003(5) -0.0004(5) C3 0.0219(7) 0.0193(7) 0.0266(7) 0.0003(5) -0.0005(5) -0.0029(5) C4 0.0205(7) 0.0235(7) 0.0222(6) -0.0021(5) -0.0015(5) -0.0002(5) C5 0.0230(7) 0.0213(7) 0.0231(7) 0.0016(5) -0.0028(5) 0.0021(5) C6 0.0240(7) 0.0190(7) 0.0212(6) 0.0009(5) -0.0003(5) -0.0006(5) C7 0.0263(7) 0.0191(7) 0.0267(7) 0.0043(5) -0.0033(6) -0.0021(6) C8 0.0266(7) 0.0216(7) 0.0228(7) 0.0023(5) -0.0028(5) -0.0051(6) C9 0.0322(8) 0.0240(7) 0.0261(7) 0.0065(6) -0.0023(6) -0.0076(6) C10 0.0318(8) 0.0316(8) 0.0240(7) 0.0034(6) 0.0001(6) -0.0118(7) C11 0.0228(7) 0.0340(8) 0.0270(7) 0.0035(6) 0.0004(6) -0.0064(6) C12 0.0234(7) 0.0254(7) 0.0222(7) 0.0023(5) -0.0020(5) -0.0062(6) C13 0.0219(7) 0.0232(7) 0.0230(7) 0.0048(5) -0.0013(5) -0.0079(6) C14 0.0356(9) 0.0381(9) 0.0298(8) 0.0065(7) 0.0047(7) -0.0120(7) C15 0.0622(14) 0.0888(19) 0.0380(11) 0.0197(11) 0.0049(10) -0.0249(13) C16 0.0656(15) 0.0516(13) 0.0614(14) -0.0059(10) 0.0235(12) -0.0272(11) C17 0.0479(12) 0.0593(14) 0.0649(14) 0.0121(11) 0.0209(11) -0.0103(10) C18 0.0340(8) 0.0229(8) 0.0381(9) -0.0035(6) 0.0004(7) -0.0027(6) C19 0.0336(8) 0.0286(8) 0.0384(9) 0.0149(7) -0.0059(7) -0.0033(7) C20 0.0219(7) 0.0306(8) 0.0298(8) -0.0004(6) -0.0042(6) -0.0018(6) C21 0.0266(9) 0.0516(12) 0.0617(12) 0.0159(10) -0.0055(8) -0.0103(8) C22 0.0247(9) 0.0423(12) 0.134(3) 0.0037(13) -0.0163(12) 0.0037(8) C23 0.0381(11) 0.141(3) 0.0339(10) -0.0224(13) -0.0063(9) -0.0233(14) C24 0.0192(6) 0.0188(7) 0.0304(7) 0.0044(5) -0.0037(5) -0.0007(5) C25 0.0245(7) 0.0217(7) 0.0354(8) 0.0013(6) -0.0057(6) -0.0003(6) C26 0.0342(9) 0.0198(7) 0.0477(10) 0.0001(7) -0.0081(7) -0.0026(6) C27 0.0353(9) 0.0215(8) 0.0548(11) 0.0118(7) -0.0065(8) -0.0084(7) C28 0.0284(8) 0.0317(9) 0.0432(9) 0.0132(7) 0.0012(7) -0.0058(7) C29 0.0227(7) 0.0247(7) 0.0333(8) 0.0071(6) -0.0010(6) -0.0021(6) C30 0.0293(8) 0.0299(8) 0.0333(8) 0.0036(6) 0.0070(6) -0.0028(6) C31 0.0410(10) 0.0490(11) 0.0334(9) 0.0030(8) 0.0030(7) -0.0085(8) C32 0.0341(9) 0.0454(11) 0.0483(11) 0.0012(8) 0.0097(8) 0.0057(8) C33 0.0377(9) 0.0281(8) 0.0383(9) -0.0093(7) 0.0040(7) -0.0054(7) C34 0.0550(13) 0.0521(13) 0.0520(12) -0.0144(10) 0.0032(10) 0.0156(10) C35 0.0616(13) 0.0437(11) 0.0359(10) 0.0036(8) 0.0062(9) 0.0074(9) C36 0.0203(7) 0.0288(8) 0.0303(8) 0.0056(6) 0.0048(6) -0.0013(6) C37 0.0303(8) 0.0378(9) 0.0442(10) -0.0020(8) 0.0135(7) -0.0013(7) C38 0.0380(10) 0.0489(12) 0.0678(14) -0.0039(10) 0.0191(10) 0.0118(9) C39 0.0247(9) 0.0679(15) 0.0712(14) 0.0073(12) 0.0057(9) 0.0162(9) C40 0.0224(8) 0.0619(13) 0.0477(11) 0.0066(9) -0.0013(7) 0.0029(8) C41 0.0202(7) 0.0384(9) 0.0313(8) 0.0075(7) 0.0021(6) -0.0015(6) C42 0.0255(8) 0.0397(9) 0.0332(8) 0.0000(7) -0.0048(6) -0.0056(7) C43 0.0495(12) 0.0477(12) 0.0507(11) 0.0029(9) -0.0077(9) -0.0165(10) C44 0.0306(9) 0.0678(14) 0.0340(9) -0.0017(9) -0.0010(7) -0.0056(9) C45 0.0415(10) 0.0516(12) 0.0508(11) -0.0199(9) 0.0151(9) -0.0051(9) C46 0.087(2) 0.088(2) 0.0425(12) -0.0175(13) 0.0031(12) -0.0163(16) C47 0.081(2) 0.0620(17) 0.104(2) -0.0425(17) 0.0215(17) -0.0081(15) C48 0.0236(7) 0.0237(7) 0.0386(8) 0.0001(6) -0.0005(6) 0.0022(6) C49 0.0315(8) 0.0270(8) 0.0495(10) 0.0089(7) -0.0028(7) 0.0030(7) C50 0.0493(11) 0.0413(10) 0.0411(10) 0.0165(8) -0.0113(8) -0.0011(9) C51 0.0562(12) 0.0478(11) 0.0285(8) 0.0113(8) -0.0082(8) -0.0108(9) C52 0.0422(9) 0.0350(9) 0.0275(8) -0.0034(7) 0.0037(7) -0.0110(7) C53 0.0263(7) 0.0237(7) 0.0308(8) -0.0014(6) 0.0021(6) -0.0028(6) C54 0.0602(13) 0.0382(11) 0.0649(14) -0.0052(10) -0.0193(11) -0.0144(10) C55 0.0514(12) 0.0333(10) 0.0770(15) 0.0068(10) -0.0054(11) -0.0130(9) C56 0.0627(13) 0.0368(10) 0.0457(11) 0.0099(8) 0.0144(10) 0.0045(9) C57 0.0623(13) 0.0449(11) 0.0390(10) 0.0057(8) 0.0056(9) 0.0205(10) C58 0.0720(18) 0.0660(17) 0.0818(19) -0.0010(14) -0.0396(15) 0.0170(14) C59 0.109(3) 0.0727(19) 0.081(2) -0.0125(15) -0.0666(19) 0.0104(17) C60 0.0330(10) 0.0546(13) 0.0802(16) 0.0146(11) -0.0183(10) -0.0135(9) C61 0.0278(9) 0.0567(13) 0.0705(14) 0.0183(11) -0.0040(9) 0.0007(9) C62 0.0569(14) 0.0539(13) 0.0692(15) 0.0191(11) 0.0289(12) 0.0211(11) C63 0.093(2) 0.0516(13) 0.0503(13) 0.0089(10) 0.0355(13) 0.0216(13) C64 0.134(3) 0.0517(14) 0.0361(11) -0.0133(10) -0.0130(14) 0.0177(16) C65 0.120(3) 0.0531(15) 0.0732(18) -0.0241(13) -0.0459(19) -0.0007(16) C66 0.0688(15) 0.0483(12) 0.0437(11) 0.0000(9) -0.0212(10) -0.0078(11) C67 0.0881(18) 0.0482(12) 0.0350(10) -0.0010(9) 0.0069(11) 0.0112(12) C68 0.0392(12) 0.119(3) 0.0674(16) 0.0451(17) 0.0218(11) 0.0217(14) C69 0.0332(11) 0.095(2) 0.120(3) 0.066(2) 0.0073(13) -0.0098(13) C70 0.0478(14) 0.0581(17) 0.155(3) 0.0083(19) -0.0043(17) -0.0275(13) C71 0.0558(16) 0.076(2) 0.136(3) -0.020(2) -0.0443(18) -0.0187(14) C72 0.0475(12) 0.0586(14) 0.0818(17) 0.0130(13) -0.0167(12) 0.0012(11) C73 0.0655(15) 0.0499(13) 0.0680(15) 0.0143(11) -0.0085(12) 0.0052(11) C74 0.0695(16) 0.0395(12) 0.0736(16) -0.0016(11) 0.0065(13) -0.0065(11) C75 0.0626(14) 0.0490(12) 0.0558(13) -0.0187(10) -0.0080(11) -0.0044(11) C76 0.0669(15) 0.0585(14) 0.0403(11) -0.0027(10) 0.0006(10) 0.0013(11) C77 0.0483(13) 0.0632(15) 0.0726(16) 0.0171(12) 0.0013(11) -0.0042(11) C78 0.068(3) 0.086(3) 0.042(3) 0.006(2) -0.022(2) 0.009(3) C79 0.076(3) 0.092(4) 0.040(3) 0.003(2) -0.001(2) 0.018(3) C80 0.083(4) 0.075(4) 0.056(3) -0.019(3) 0.003(3) 0.006(3) C81 0.077(3) 0.059(3) 0.071(4) -0.012(4) -0.001(3) 0.010(3) C82 0.074(4) 0.058(3) 0.069(4) 0.000(3) -0.016(3) 0.005(3) C83 0.068(4) 0.068(3) 0.047(3) 0.014(2) -0.025(3) 0.002(3) C78A 0.073(3) 0.085(4) 0.057(3) -0.034(2) -0.004(2) 0.019(3) C79A 0.076(3) 0.093(4) 0.073(4) -0.003(3) -0.003(3) 0.025(3) C80A 0.082(4) 0.085(3) 0.067(3) 0.008(3) 0.012(3) 0.014(3) C81A 0.080(4) 0.074(3) 0.049(2) 0.016(2) 0.013(3) 0.020(3) C82A 0.074(3) 0.062(2) 0.033(2) -0.003(2) 0.004(2) 0.011(2) C83A 0.077(3) 0.064(3) 0.031(2) -0.014(2) -0.007(2) 0.013(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 K1 O4 2.7730(14) . ? K1 O6 2.7937(14) . ? K1 O2 2.7960(14) . ? K1 O5 2.8322(15) . ? K1 O3 2.8790(15) . ? K1 O7 2.8908(15) . ? K1 N3 2.9911(16) . ? K1 N4 3.0502(19) . ? Al1 N1 1.9660(13) . ? Al1 C48 1.9802(16) . ? Al1 C53 1.9804(16) . ? Al1 N2 1.9843(13) . ? Al1 O1 2.1355(11) . ? O1 C13 1.3864(17) . ? O1 C1 1.3907(17) . ? O2 C56 1.415(2) . ? O2 C55 1.427(3) . ? O3 C58 1.413(3) . ? O3 C57 1.417(3) . ? O4 C62 1.424(3) . ? O4 C61 1.428(3) . ? O5 C64 1.411(3) . ? O5 C63 1.426(3) . ? O6 C68 1.413(3) . ? O6 C67 1.419(3) . ? O7 C69 1.417(3) . ? O7 C70 1.419(4) . ? N1 C2 1.3823(19) . ? N1 C24 1.4318(18) . ? N2 C12 1.381(2) . ? N2 C36 1.429(2) . ? N3 C60 1.465(3) . ? N3 C54 1.466(3) . ? N3 C66 1.469(3) . ? N4 C59 1.468(4) . ? N4 C71 1.468(4) . ? N4 C65 1.470(4) . ? C1 C6 1.370(2) . ? C1 C2 1.397(2) . ? C2 C3 1.405(2) . ? C3 C4 1.403(2) . ? C4 C5 1.394(2) . ? C4 C20 1.539(2) . ? C5 C6 1.400(2) . ? C6 C7 1.535(2) . ? C7 C19 1.528(2) . ? C7 C18 1.538(2) . ? C7 C8 1.539(2) . ? C8 C13 1.372(2) . ? C8 C9 1.403(2) . ? C9 C10 1.398(2) . ? C10 C11 1.399(2) . ? C10 C14 1.545(2) . ? C11 C12 1.411(2) . ? C12 C13 1.399(2) . ? C14 C15 1.518(3) . ? C14 C16 1.528(3) . ? C14 C17 1.534(3) . ? C20 C21 1.520(2) . ? C20 C23 1.521(3) . ? C20 C22 1.524(3) . ? C24 C29 1.411(2) . ? C24 C25 1.413(2) . ? C25 C26 1.394(2) . ? C25 C33 1.516(2) . ? C26 C27 1.380(3) . ? C27 C28 1.378(3) . ? C28 C29 1.401(2) . ? C29 C30 1.517(2) . ? C30 C32 1.532(2) . ? C30 C31 1.534(2) . ? C33 C35 1.524(3) . ? C33 C34 1.527(3) . ? C36 C41 1.408(2) . ? C36 C37 1.415(2) . ? C37 C38 1.399(3) . ? C37 C45 1.511(3) . ? C38 C39 1.376(4) . ? C39 C40 1.370(3) . ? C40 C41 1.401(2) . ? C41 C42 1.513(3) . ? C42 C44 1.528(2) . ? C42 C43 1.536(3) . ? C45 C46 1.523(4) . ? C45 C47 1.527(3) . ? C48 C49 1.352(2) . ? C49 C50 1.451(3) . ? C50 C51 1.352(3) . ? C51 C52 1.442(3) . ? C52 C53 1.343(2) . ? C54 C55 1.503(3) . ? C56 C57 1.491(3) . ? C58 C59 1.515(4) . ? C60 C61 1.501(4) . ? C62 C63 1.486(4) . ? C64 C65 1.497(5) . ? C66 C67 1.493(4) . ? C68 C69 1.483(5) . ? C70 C71 1.501(5) . ? C72 C73 1.368(4) . ? C72 C77 1.370(4) . ? C73 C74 1.385(4) . ? C74 C75 1.369(4) . ? C75 C76 1.370(4) . ? C76 C77 1.378(4) . ? C78 C83 1.380(5) . ? C78 C79 1.389(6) . ? C79 C80 1.385(6) . ? C80 C81 1.391(6) . ? C81 C82 1.382(6) . ? C82 C83 1.396(6) . ? C78A C83A 1.381(6) . ? C78A C79A 1.381(6) . ? C79A C80A 1.398(6) . ? C80A C81A 1.388(6) . ? C81A C82A 1.386(5) . ? C82A C83A 1.379(5) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O4 K1 O6 104.85(4) . . ? O4 K1 O2 94.38(4) . . ? O6 K1 O2 94.28(4) . . ? O4 K1 O5 60.51(5) . . ? O6 K1 O5 131.76(4) . . ? O2 K1 O5 130.22(5) . . ? O4 K1 O3 118.71(5) . . ? O6 K1 O3 129.48(4) . . ? O2 K1 O3 59.92(4) . . ? O5 K1 O3 93.39(4) . . ? O4 K1 O7 140.58(5) . . ? O6 K1 O7 58.62(5) . . ? O2 K1 O7 120.64(5) . . ? O5 K1 O7 101.89(6) . . ? O3 K1 O7 95.87(5) . . ? O4 K1 N3 61.05(5) . . ? O6 K1 N3 59.74(5) . . ? O2 K1 N3 61.22(4) . . ? O5 K1 N3 121.06(5) . . ? O3 K1 N3 120.88(5) . . ? O7 K1 N3 118.27(6) . . ? O4 K1 N4 120.57(6) . . ? O6 K1 N4 118.86(6) . . ? O2 K1 N4 118.50(5) . . ? O5 K1 N4 60.49(6) . . ? O3 K1 N4 59.03(6) . . ? O7 K1 N4 60.29(7) . . ? N3 K1 N4 178.33(7) . . ? N1 Al1 C48 99.01(6) . . ? N1 Al1 C53 110.66(6) . . ? C48 Al1 C53 105.38(7) . . ? N1 Al1 N2 128.22(5) . . ? C48 Al1 N2 99.57(6) . . ? C53 Al1 N2 110.11(6) . . ? N1 Al1 O1 75.58(5) . . ? C48 Al1 O1 166.41(6) . . ? C53 Al1 O1 88.21(6) . . ? N2 Al1 O1 75.20(5) . . ? C13 O1 C1 114.62(11) . . ? C13 O1 Al1 116.65(9) . . ? C1 O1 Al1 116.08(8) . . ? C56 O2 C55 111.56(16) . . ? C56 O2 K1 114.35(12) . . ? C55 O2 K1 115.61(12) . . ? C58 O3 C57 112.08(18) . . ? C58 O3 K1 115.33(15) . . ? C57 O3 K1 113.23(11) . . ? C62 O4 C61 111.62(17) . . ? C62 O4 K1 116.90(14) . . ? C61 O4 K1 114.19(12) . . ? C64 O5 C63 111.4(2) . . ? C64 O5 K1 116.49(15) . . ? C63 O5 K1 111.78(14) . . ? C68 O6 C67 113.6(2) . . ? C68 O6 K1 119.48(15) . . ? C67 O6 K1 122.12(13) . . ? C69 O7 C70 111.6(2) . . ? C69 O7 K1 113.12(13) . . ? C70 O7 K1 111.33(17) . . ? C2 N1 C24 115.17(12) . . ? C2 N1 Al1 120.47(10) . . ? C24 N1 Al1 123.04(9) . . ? C12 N2 C36 117.70(12) . . ? C12 N2 Al1 120.34(10) . . ? C36 N2 Al1 120.51(10) . . ? C60 N3 C54 110.25(18) . . ? C60 N3 C66 109.03(18) . . ? C54 N3 C66 110.85(19) . . ? C60 N3 K1 109.22(13) . . ? C54 N3 K1 108.12(12) . . ? C66 N3 K1 109.33(12) . . ? C59 N4 C71 110.0(3) . . ? C59 N4 C65 110.1(3) . . ? C71 N4 C65 110.3(3) . . ? C59 N4 K1 110.70(16) . . ? C71 N4 K1 108.76(16) . . ? C65 N4 K1 106.86(15) . . ? C6 C1 O1 121.27(13) . . ? C6 C1 C2 126.61(13) . . ? O1 C1 C2 112.03(12) . . ? N1 C2 C1 115.52(13) . . ? N1 C2 C3 129.54(13) . . ? C1 C2 C3 114.92(13) . . ? C4 C3 C2 121.03(13) . . ? C5 C4 C3 120.13(13) . . ? C5 C4 C20 119.61(13) . . ? C3 C4 C20 120.14(13) . . ? C4 C5 C6 120.74(13) . . ? C1 C6 C5 116.24(13) . . ? C1 C6 C7 118.27(13) . . ? C5 C6 C7 125.46(13) . . ? C19 C7 C6 111.13(12) . . ? C19 C7 C18 109.11(14) . . ? C6 C7 C18 108.22(12) . . ? C19 C7 C8 111.18(13) . . ? C6 C7 C8 108.21(12) . . ? C18 C7 C8 108.92(12) . . ? C13 C8 C9 115.84(14) . . ? C13 C8 C7 118.54(13) . . ? C9 C8 C7 125.62(14) . . ? C10 C9 C8 120.93(14) . . ? C9 C10 C11 120.31(14) . . ? C9 C10 C14 118.69(15) . . ? C11 C10 C14 120.99(16) . . ? C10 C11 C12 120.92(15) . . ? N2 C12 C13 115.52(13) . . ? N2 C12 C11 129.47(15) . . ? C13 C12 C11 114.91(14) . . ? C8 C13 O1 120.86(14) . . ? C8 C13 C12 126.96(14) . . ? O1 C13 C12 112.08(13) . . ? C15 C14 C16 110.2(2) . . ? C15 C14 C17 107.04(19) . . ? C16 C14 C17 107.08(18) . . ? C15 C14 C10 110.97(15) . . ? C16 C14 C10 108.71(15) . . ? C17 C14 C10 112.75(16) . . ? C21 C20 C23 108.59(19) . . ? C21 C20 C22 106.60(17) . . ? C23 C20 C22 110.3(2) . . ? C21 C20 C4 112.03(13) . . ? C23 C20 C4 107.91(14) . . ? C22 C20 C4 111.40(14) . . ? C29 C24 C25 119.65(14) . . ? C29 C24 N1 120.02(14) . . ? C25 C24 N1 120.33(14) . . ? C26 C25 C24 119.07(16) . . ? C26 C25 C33 119.60(15) . . ? C24 C25 C33 121.28(14) . . ? C27 C26 C25 121.44(17) . . ? C28 C27 C26 119.53(15) . . ? C27 C28 C29 121.39(16) . . ? C28 C29 C24 118.90(16) . . ? C28 C29 C30 118.82(15) . . ? C24 C29 C30 122.28(14) . . ? C29 C30 C32 111.61(15) . . ? C29 C30 C31 111.27(15) . . ? C32 C30 C31 110.17(15) . . ? C25 C33 C35 110.82(15) . . ? C25 C33 C34 113.46(16) . . ? C35 C33 C34 109.75(16) . . ? C41 C36 C37 119.30(15) . . ? C41 C36 N2 120.49(15) . . ? C37 C36 N2 120.08(15) . . ? C38 C37 C36 118.89(19) . . ? C38 C37 C45 120.40(18) . . ? C36 C37 C45 120.69(17) . . ? C39 C38 C37 121.6(2) . . ? C40 C39 C38 119.35(18) . . ? C39 C40 C41 121.65(19) . . ? C40 C41 C36 119.08(17) . . ? C40 C41 C42 117.87(16) . . ? C36 C41 C42 123.04(14) . . ? C41 C42 C44 111.93(16) . . ? C41 C42 C43 110.58(16) . . ? C44 C42 C43 109.07(15) . . ? C37 C45 C46 111.19(19) . . ? C37 C45 C47 113.7(2) . . ? C46 C45 C47 110.1(2) . . ? C49 C48 Al1 131.09(14) . . ? C48 C49 C50 131.04(17) . . ? C51 C50 C49 134.90(17) . . ? C50 C51 C52 133.63(17) . . ? C53 C52 C51 130.66(17) . . ? C52 C53 Al1 132.64(13) . . ? N3 C54 C55 113.3(2) . . ? O2 C55 C54 108.78(18) . . ? O2 C56 C57 108.90(17) . . ? O3 C57 C56 109.16(17) . . ? O3 C58 C59 108.0(2) . . ? N4 C59 C58 112.9(2) . . ? N3 C60 C61 113.53(17) . . ? O4 C61 C60 108.63(18) . . ? O4 C62 C63 109.41(18) . . ? O5 C63 C62 109.37(17) . . ? O5 C64 C65 109.2(2) . . ? N4 C65 C64 114.2(2) . . ? N3 C66 C67 114.55(18) . . ? O6 C67 C66 109.52(17) . . ? O6 C68 C69 109.7(2) . . ? O7 C69 C68 109.0(2) . . ? O7 C70 C71 109.0(2) . . ? N4 C71 C70 114.0(2) . . ? C73 C72 C77 120.5(2) . . ? C72 C73 C74 119.4(2) . . ? C75 C74 C73 120.1(2) . . ? C74 C75 C76 120.2(2) . . ? C75 C76 C77 119.8(2) . . ? C72 C77 C76 120.0(2) . . ? C83 C78 C79 119.7(5) . . ? C80 C79 C78 121.2(5) . . ? C79 C80 C81 118.0(5) . . ? C82 C81 C80 120.1(5) . . ? C81 C82 C83 120.8(5) . . ? C78 C83 C82 118.3(5) . . ? C83A C78A C79A 120.7(5) . . ? C78A C79A C80A 118.9(5) . . ? C81A C80A C79A 119.9(4) . . ? C82A C81A C80A 119.5(4) . . ? C83A C82A C81A 120.3(5) . . ? C82A C83A C78A 119.7(5) . . ? _refine_diff_density_max 0.721 _refine_diff_density_min -0.275 _refine_diff_density_rms 0.041 _shelx_res_file ; TITL C:\236AJH~1\236ajhjh18_a.res in P2(1)/c C:\236AJH~1\236ajhjh18_a.res created by SHELXL-2018/3 at 10:44:20 on 27-Sep-2018 CELL 1.54184 20.5108 12.9151 29.5577 90.000 93.090 90.000 ZERR 4.0000 0.0002 0.0001 0.0003 0.000 0.001 0.000 LATT 1 SYMM -X, 0.5+Y, 0.5-Z SFAC C H N O AL K UNIT 332 464 16 28 4 4 MERG 2 FMAP 2 GRID PLAN 20 TEMP -123 SIZE 0.22 0.07 0.03 DFIX 1.40 0.008 C78 C79 C79 C80 C80 C81 C81 C82 C82 C83 C83 C78 DANG 2.40 0.008 C78 C80 C79 C81 C80 C82 C81 C83 C82 C78 C83 C79 SIMU 0.005 C78 C79 C80 C81 C82 C83 DFIX 1.40 0.008 C78A C79A C79A C80A C80A C81A C81A C82A C82A C83A C83A C78A DANG 2.40 0.008 C78A C80A C79A C81A C80A C82A C81A C83A C82A C78A C83A C79A SIMU 0.005 C78A C79A C80A C81A C82A C83A L.S. 10 ACTA WGHT 0.059200 2.138200 FVAR 0.23877 0.46602 K1 6 0.814097 -0.012825 0.572197 11.00000 0.02993 0.03127 = 0.03663 -0.00213 -0.00160 -0.00156 AL1 5 0.697110 0.407162 0.430028 11.00000 0.01840 0.01833 = 0.02302 0.00158 -0.00026 -0.00086 O1 4 0.654557 0.542575 0.399288 11.00000 0.01818 0.02221 = 0.02650 0.00752 -0.00266 -0.00441 O2 4 0.794719 -0.227115 0.570802 11.00000 0.04694 0.03202 = 0.04343 0.00548 0.00128 -0.00637 O3 4 0.874833 -0.140625 0.642277 11.00000 0.05489 0.04684 = 0.04690 -0.00321 -0.00868 0.01681 O4 4 0.682474 0.033515 0.575827 11.00000 0.03778 0.04509 = 0.05804 0.01282 0.00688 0.00947 O5 4 0.773844 0.138336 0.634262 11.00000 0.07929 0.04369 = 0.03098 0.00054 0.00706 0.00939 O6 4 0.839207 -0.000700 0.480385 11.00000 0.03775 0.05382 = 0.04457 0.00817 0.01000 0.00906 O7 4 0.934031 0.075706 0.542584 11.00000 0.03430 0.05501 = 0.09301 0.02311 -0.00011 -0.01289 N1 3 0.610623 0.361557 0.405916 11.00000 0.01913 0.01713 = 0.02720 0.00294 -0.00066 -0.00149 N2 3 0.768369 0.470844 0.396714 11.00000 0.01936 0.02484 = 0.02551 0.00315 0.00023 -0.00246 N3 3 0.719769 -0.102931 0.502199 11.00000 0.04081 0.03767 = 0.05194 0.00297 -0.01274 -0.00883 N4 3 0.913555 0.077312 0.641858 11.00000 0.07295 0.05305 = 0.07414 -0.01475 -0.03865 -0.00205 C1 1 0.591367 0.531765 0.380363 11.00000 0.01701 0.02115 = 0.02208 0.00090 -0.00130 -0.00182 C2 1 0.566975 0.431929 0.386202 11.00000 0.02114 0.01808 = 0.02149 0.00083 0.00034 -0.00039 C3 1 0.501941 0.417372 0.370064 11.00000 0.02190 0.01927 = 0.02660 0.00032 -0.00053 -0.00286 AFIX 43 H3 2 0.481527 0.352262 0.374152 11.00000 -1.20000 AFIX 0 C4 1 0.466660 0.497514 0.347997 11.00000 0.02046 0.02354 = 0.02216 -0.00210 -0.00149 -0.00023 C5 1 0.496516 0.592602 0.340675 11.00000 0.02298 0.02125 = 0.02308 0.00159 -0.00283 0.00213 AFIX 43 H5 2 0.473003 0.645299 0.324387 11.00000 -1.20000 AFIX 0 C6 1 0.560749 0.611278 0.357056 11.00000 0.02397 0.01896 = 0.02122 0.00093 -0.00031 -0.00057 C7 1 0.597959 0.713475 0.352340 11.00000 0.02634 0.01908 = 0.02670 0.00430 -0.00326 -0.00213 C8 1 0.671167 0.688455 0.350979 11.00000 0.02657 0.02160 = 0.02281 0.00229 -0.00278 -0.00512 C9 1 0.716818 0.744969 0.327362 11.00000 0.03223 0.02395 = 0.02607 0.00653 -0.00226 -0.00755 AFIX 43 H9 2 0.703285 0.805692 0.311329 11.00000 -1.20000 AFIX 0 C10 1 0.781949 0.713202 0.327083 11.00000 0.03179 0.03161 = 0.02403 0.00337 0.00006 -0.01181 C11 1 0.802650 0.623583 0.350277 11.00000 0.02276 0.03403 = 0.02701 0.00351 0.00040 -0.00644 AFIX 43 H11 2 0.846932 0.602362 0.349574 11.00000 -1.20000 AFIX 0 C12 1 0.758676 0.564323 0.374684 11.00000 0.02341 0.02542 = 0.02217 0.00226 -0.00200 -0.00620 C13 1 0.695123 0.603659 0.374395 11.00000 0.02195 0.02316 = 0.02304 0.00481 -0.00127 -0.00794 C14 1 0.829955 0.777876 0.300098 11.00000 0.03557 0.03812 = 0.02984 0.00651 0.00469 -0.01199 C15 1 0.803101 0.795715 0.251848 11.00000 0.06221 0.08881 = 0.03802 0.01970 0.00489 -0.02488 AFIX 137 H15A 2 0.761697 0.833474 0.252304 11.00000 -1.50000 H15B 2 0.795793 0.728860 0.236732 11.00000 -1.50000 H15C 2 0.834480 0.836325 0.235368 11.00000 -1.50000 AFIX 0 C16 1 0.841692 0.881374 0.324219 11.00000 0.06564 0.05162 = 0.06144 -0.00585 0.02351 -0.02719 AFIX 137 H16A 2 0.873447 0.921993 0.308082 11.00000 -1.50000 H16B 2 0.858685 0.868874 0.355364 11.00000 -1.50000 H16C 2 0.800474 0.919638 0.324682 11.00000 -1.50000 AFIX 0 C17 1 0.896733 0.725482 0.297134 11.00000 0.04787 0.05932 = 0.06487 0.01210 0.02093 -0.01028 AFIX 137 H17A 2 0.925726 0.770617 0.280704 11.00000 -1.50000 H17B 2 0.891315 0.659431 0.281049 11.00000 -1.50000 H17C 2 0.915807 0.712935 0.327757 11.00000 -1.50000 AFIX 0 C18 1 0.586976 0.780117 0.394381 11.00000 0.03404 0.02292 = 0.03813 -0.00353 0.00041 -0.00270 AFIX 137 H18A 2 0.611410 0.845027 0.392423 11.00000 -1.50000 H18B 2 0.602187 0.742351 0.421706 11.00000 -1.50000 H18C 2 0.540335 0.795434 0.395800 11.00000 -1.50000 AFIX 0 C19 1 0.573487 0.772476 0.309964 11.00000 0.03358 0.02862 = 0.03836 0.01487 -0.00595 -0.00331 AFIX 137 H19A 2 0.579611 0.729839 0.283097 11.00000 -1.50000 H19B 2 0.598147 0.837086 0.307675 11.00000 -1.50000 H19C 2 0.527004 0.788352 0.311935 11.00000 -1.50000 AFIX 0 C20 1 0.396296 0.478622 0.329047 11.00000 0.02187 0.03056 = 0.02980 -0.00037 -0.00422 -0.00181 C21 1 0.361407 0.397830 0.356277 11.00000 0.02657 0.05161 = 0.06171 0.01587 -0.00552 -0.01032 AFIX 137 H21A 2 0.362753 0.418508 0.388214 11.00000 -1.50000 H21B 2 0.383109 0.330713 0.353466 11.00000 -1.50000 H21C 2 0.315866 0.392183 0.344704 11.00000 -1.50000 AFIX 0 C22 1 0.355467 0.577090 0.330236 11.00000 0.02475 0.04225 = 0.13369 0.00373 -0.01628 0.00369 AFIX 137 H22A 2 0.310051 0.561171 0.320754 11.00000 -1.50000 H22B 2 0.372708 0.628456 0.309601 11.00000 -1.50000 H22C 2 0.357390 0.604958 0.361117 11.00000 -1.50000 AFIX 0 C23 1 0.399479 0.440019 0.280613 11.00000 0.03807 0.14099 = 0.03390 -0.02241 -0.00629 -0.02332 AFIX 137 H23A 2 0.423644 0.374568 0.280502 11.00000 -1.50000 H23B 2 0.421739 0.491540 0.262615 11.00000 -1.50000 H23C 2 0.355105 0.429072 0.267508 11.00000 -1.50000 AFIX 0 C24 1 0.583591 0.262445 0.415871 11.00000 0.01919 0.01882 = 0.03040 0.00441 -0.00373 -0.00072 C25 1 0.593525 0.177019 0.387199 11.00000 0.02453 0.02174 = 0.03535 0.00129 -0.00572 -0.00034 C26 1 0.566733 0.081423 0.397774 11.00000 0.03418 0.01977 = 0.04775 0.00011 -0.00812 -0.00262 AFIX 43 H26 2 0.574144 0.023467 0.378937 11.00000 -1.20000 AFIX 0 C27 1 0.529664 0.069108 0.435022 11.00000 0.03530 0.02150 = 0.05485 0.01179 -0.00654 -0.00840 AFIX 43 H27 2 0.511344 0.003533 0.441471 11.00000 -1.20000 AFIX 0 C28 1 0.519425 0.152576 0.462772 11.00000 0.02844 0.03171 = 0.04315 0.01323 0.00115 -0.00581 AFIX 43 H28 2 0.493737 0.143889 0.488302 11.00000 -1.20000 AFIX 0 C29 1 0.546097 0.250019 0.454139 11.00000 0.02273 0.02473 = 0.03329 0.00707 -0.00097 -0.00210 C30 1 0.533545 0.338546 0.486238 11.00000 0.02930 0.02989 = 0.03331 0.00364 0.00697 -0.00284 AFIX 13 H30 2 0.556712 0.401108 0.475287 11.00000 -1.20000 AFIX 0 C31 1 0.560914 0.314587 0.534409 11.00000 0.04101 0.04899 = 0.03345 0.00304 0.00296 -0.00851 AFIX 137 H31A 2 0.539128 0.253145 0.545868 11.00000 -1.50000 H31B 2 0.553157 0.373733 0.554182 11.00000 -1.50000 H31C 2 0.607947 0.301574 0.533960 11.00000 -1.50000 AFIX 0 C32 1 0.460703 0.364438 0.486668 11.00000 0.03410 0.04538 = 0.04833 0.00117 0.00966 0.00566 AFIX 137 H32A 2 0.444846 0.387046 0.456394 11.00000 -1.50000 H32B 2 0.454180 0.420040 0.508528 11.00000 -1.50000 H32C 2 0.436479 0.302794 0.495356 11.00000 -1.50000 AFIX 0 C33 1 0.630307 0.188497 0.344348 11.00000 0.03772 0.02814 = 0.03825 -0.00929 0.00400 -0.00543 AFIX 13 H33 2 0.663349 0.244700 0.349751 11.00000 -1.20000 AFIX 0 C34 1 0.666984 0.090682 0.331661 11.00000 0.05501 0.05205 = 0.05205 -0.01439 0.00317 0.01560 AFIX 137 H34A 2 0.696222 0.069217 0.357268 11.00000 -1.50000 H34B 2 0.692661 0.104853 0.305338 11.00000 -1.50000 H34C 2 0.635602 0.035215 0.324237 11.00000 -1.50000 AFIX 0 C35 1 0.584493 0.222009 0.304750 11.00000 0.06160 0.04366 = 0.03594 0.00363 0.00615 0.00738 AFIX 137 H35A 2 0.551827 0.167861 0.298312 11.00000 -1.50000 H35B 2 0.609675 0.233257 0.277931 11.00000 -1.50000 H35C 2 0.562509 0.286461 0.312538 11.00000 -1.50000 AFIX 0 C36 1 0.833892 0.434102 0.403272 11.00000 0.02026 0.02877 = 0.03032 0.00565 0.00484 -0.00131 C37 1 0.855301 0.349344 0.377634 11.00000 0.03029 0.03775 = 0.04424 -0.00202 0.01350 -0.00127 C38 1 0.917296 0.307873 0.388051 11.00000 0.03805 0.04886 = 0.06785 -0.00391 0.01910 0.01177 AFIX 43 H38 2 0.931706 0.250527 0.371113 11.00000 -1.20000 AFIX 0 C39 1 0.957928 0.348051 0.422214 11.00000 0.02465 0.06787 = 0.07121 0.00728 0.00575 0.01622 AFIX 43 H39 2 0.999385 0.317579 0.429289 11.00000 -1.20000 AFIX 0 C40 1 0.938016 0.432437 0.445931 11.00000 0.02242 0.06195 = 0.04771 0.00657 -0.00129 0.00286 AFIX 43 H40 2 0.966702 0.461307 0.468886 11.00000 -1.20000 AFIX 0 C41 1 0.876408 0.477230 0.437182 11.00000 0.02022 0.03839 = 0.03129 0.00746 0.00212 -0.00150 C42 1 0.858432 0.569513 0.465469 11.00000 0.02551 0.03974 = 0.03318 0.00003 -0.00484 -0.00558 AFIX 13 H42 2 0.811513 0.586714 0.458132 11.00000 -1.20000 AFIX 0 C43 1 0.900027 0.664057 0.454189 11.00000 0.04947 0.04773 = 0.05069 0.00295 -0.00766 -0.01646 AFIX 137 H43A 2 0.946401 0.646843 0.459111 11.00000 -1.50000 H43B 2 0.889260 0.722047 0.473826 11.00000 -1.50000 H43C 2 0.890951 0.683586 0.422434 11.00000 -1.50000 AFIX 0 C44 1 0.867170 0.547040 0.516199 11.00000 0.03061 0.06777 = 0.03403 -0.00167 -0.00104 -0.00564 AFIX 137 H44A 2 0.843084 0.484070 0.523280 11.00000 -1.50000 H44B 2 0.850388 0.605417 0.533275 11.00000 -1.50000 H44C 2 0.913641 0.537222 0.524571 11.00000 -1.50000 AFIX 0 C45 1 0.812653 0.305705 0.338917 11.00000 0.04153 0.05163 = 0.05077 -0.01991 0.01506 -0.00507 AFIX 13 H45 2 0.766655 0.306939 0.348531 11.00000 -1.20000 AFIX 0 C46 1 0.815042 0.373398 0.296840 11.00000 0.08679 0.08838 = 0.04246 -0.01747 0.00307 -0.01631 AFIX 137 H46A 2 0.803274 0.444629 0.304406 11.00000 -1.50000 H46B 2 0.784121 0.346846 0.273197 11.00000 -1.50000 H46C 2 0.859266 0.372273 0.285846 11.00000 -1.50000 AFIX 0 C47 1 0.828574 0.193588 0.327326 11.00000 0.08097 0.06197 = 0.10406 -0.04252 0.02150 -0.00810 AFIX 137 H47A 2 0.872456 0.190054 0.315839 11.00000 -1.50000 H47B 2 0.796640 0.168042 0.304108 11.00000 -1.50000 H47C 2 0.826843 0.150730 0.354596 11.00000 -1.50000 AFIX 0 C48 1 0.736636 0.269961 0.443519 11.00000 0.02357 0.02370 = 0.03861 0.00012 -0.00048 0.00216 AFIX 43 H48 2 0.737728 0.225053 0.418116 11.00000 -1.20000 AFIX 0 C49 1 0.762337 0.229201 0.482665 11.00000 0.03145 0.02701 = 0.04948 0.00890 -0.00281 0.00296 AFIX 43 H49 2 0.779786 0.161513 0.479838 11.00000 -1.20000 AFIX 0 C50 1 0.767829 0.271124 0.528240 11.00000 0.04932 0.04135 = 0.04114 0.01650 -0.01132 -0.00112 AFIX 43 H50 2 0.792420 0.227705 0.548724 11.00000 -1.20000 AFIX 0 C51 1 0.746102 0.357598 0.548360 11.00000 0.05620 0.04782 = 0.02847 0.01129 -0.00823 -0.01082 AFIX 43 H51 2 0.756697 0.359699 0.580034 11.00000 -1.20000 AFIX 0 C52 1 0.710264 0.447321 0.531958 11.00000 0.04216 0.03502 = 0.02749 -0.00342 0.00367 -0.01099 AFIX 43 H52 2 0.698640 0.494384 0.554874 11.00000 -1.20000 AFIX 0 C53 1 0.690599 0.475349 0.489626 11.00000 0.02628 0.02369 = 0.03083 -0.00141 0.00209 -0.00277 AFIX 43 H53 2 0.669398 0.540743 0.487952 11.00000 -1.20000 AFIX 0 C54 1 0.728492 -0.215625 0.502253 11.00000 0.06023 0.03818 = 0.06487 -0.00525 -0.01928 -0.01443 AFIX 23 H54A 2 0.768148 -0.232709 0.486100 11.00000 -1.20000 H54B 2 0.690715 -0.247809 0.485384 11.00000 -1.20000 AFIX 0 C55 1 0.734773 -0.261413 0.549021 11.00000 0.05141 0.03333 = 0.07701 0.00683 -0.00537 -0.01302 AFIX 23 H55A 2 0.697601 -0.239133 0.566700 11.00000 -1.20000 H55B 2 0.734298 -0.337944 0.547131 11.00000 -1.20000 AFIX 0 C56 1 0.806920 -0.276207 0.613209 11.00000 0.06271 0.03680 = 0.04573 0.00991 0.01436 0.00448 AFIX 23 H56A 2 0.803719 -0.352264 0.609556 11.00000 -1.20000 H56B 2 0.774080 -0.253951 0.634551 11.00000 -1.20000 AFIX 0 C57 1 0.873651 -0.247496 0.631439 11.00000 0.06234 0.04485 = 0.03902 0.00574 0.00558 0.02046 AFIX 23 H57A 2 0.885353 -0.288829 0.658893 11.00000 -1.20000 H57B 2 0.905917 -0.262371 0.608569 11.00000 -1.20000 AFIX 0 C58 1 0.937276 -0.107741 0.658969 11.00000 0.07196 0.06596 = 0.08177 -0.00101 -0.03960 0.01703 AFIX 23 H58A 2 0.968125 -0.108483 0.634339 11.00000 -1.20000 H58B 2 0.954140 -0.154846 0.683299 11.00000 -1.20000 AFIX 0 C59 1 0.930868 0.001092 0.677327 11.00000 0.10935 0.07268 = 0.08146 -0.01253 -0.06658 0.01038 AFIX 23 H59A 2 0.896964 0.001618 0.699931 11.00000 -1.20000 H59B 2 0.972756 0.021571 0.693012 11.00000 -1.20000 AFIX 0 C60 1 0.653102 -0.076522 0.513452 11.00000 0.03297 0.05457 = 0.08023 0.01463 -0.01827 -0.01352 AFIX 23 H60A 2 0.638021 -0.127635 0.535556 11.00000 -1.20000 H60B 2 0.624039 -0.081916 0.485706 11.00000 -1.20000 AFIX 0 C61 1 0.646982 0.030137 0.532930 11.00000 0.02777 0.05672 = 0.07053 0.01826 -0.00401 0.00070 AFIX 23 H61A 2 0.664779 0.081926 0.512202 11.00000 -1.20000 H61B 2 0.600450 0.046592 0.536715 11.00000 -1.20000 AFIX 0 C62 1 0.666115 0.122742 0.601177 11.00000 0.05686 0.05392 = 0.06923 0.01915 0.02895 0.02108 AFIX 23 H62A 2 0.619362 0.120404 0.607872 11.00000 -1.20000 H62B 2 0.673667 0.186008 0.583285 11.00000 -1.20000 AFIX 0 C63 1 0.707071 0.125657 0.644198 11.00000 0.09278 0.05163 = 0.05028 0.00895 0.03553 0.02157 AFIX 23 H63A 2 0.693188 0.183874 0.663230 11.00000 -1.20000 H63B 2 0.701600 0.060482 0.661212 11.00000 -1.20000 AFIX 0 C64 1 0.814000 0.151399 0.674152 11.00000 0.13404 0.05167 = 0.03608 -0.01329 -0.01297 0.01772 AFIX 23 H64A 2 0.811553 0.089071 0.693484 11.00000 -1.20000 H64B 2 0.798817 0.211612 0.691443 11.00000 -1.20000 AFIX 0 C65 1 0.882946 0.168413 0.661680 11.00000 0.11971 0.05314 = 0.07318 -0.02415 -0.04587 -0.00072 AFIX 23 H65A 2 0.883710 0.226258 0.639738 11.00000 -1.20000 H65B 2 0.909354 0.189499 0.689165 11.00000 -1.20000 AFIX 0 C66 1 0.732429 -0.059112 0.457664 11.00000 0.06881 0.04831 = 0.04368 -0.00004 -0.02124 -0.00785 AFIX 23 H66A 2 0.715688 0.012779 0.456329 11.00000 -1.20000 H66B 2 0.707594 -0.099512 0.434061 11.00000 -1.20000 AFIX 0 C67 1 0.802661 -0.058035 0.446814 11.00000 0.08807 0.04821 = 0.03501 -0.00104 0.00687 0.01122 AFIX 23 H67A 2 0.819419 -0.129841 0.445826 11.00000 -1.20000 H67B 2 0.807329 -0.026128 0.416707 11.00000 -1.20000 AFIX 0 C68 1 0.902426 0.026137 0.467675 11.00000 0.03924 0.11873 = 0.06737 0.04512 0.02177 0.02165 AFIX 23 H68A 2 0.900530 0.048768 0.435630 11.00000 -1.20000 H68B 2 0.931479 -0.034976 0.470639 11.00000 -1.20000 AFIX 0 C69 1 0.928854 0.110946 0.497120 11.00000 0.03321 0.09525 = 0.12015 0.06583 0.00734 -0.00982 AFIX 23 H69A 2 0.972357 0.132053 0.487428 11.00000 -1.20000 H69B 2 0.899492 0.171752 0.494604 11.00000 -1.20000 AFIX 0 C70 1 0.957855 0.154406 0.572624 11.00000 0.04779 0.05810 = 0.15464 0.00829 -0.00432 -0.02749 AFIX 23 H70A 2 0.924877 0.210014 0.574438 11.00000 -1.20000 H70B 2 0.998145 0.184985 0.561328 11.00000 -1.20000 AFIX 0 C71 1 0.972059 0.108002 0.618667 11.00000 0.05584 0.07582 = 0.13622 -0.01983 -0.04431 -0.01875 AFIX 23 H71A 2 1.000151 0.046366 0.615519 11.00000 -1.20000 H71B 2 0.996910 0.158889 0.637787 11.00000 -1.20000 AFIX 0 C72 1 0.560222 0.509786 0.193796 11.00000 0.04748 0.05859 = 0.08178 0.01296 -0.01675 0.00119 AFIX 43 H72 2 0.521591 0.490523 0.176677 11.00000 -1.20000 AFIX 0 C73 1 0.597619 0.589685 0.179296 11.00000 0.06549 0.04988 = 0.06795 0.01434 -0.00851 0.00524 AFIX 43 H73 2 0.584944 0.626198 0.152339 11.00000 -1.20000 AFIX 0 C74 1 0.654094 0.616853 0.204255 11.00000 0.06948 0.03952 = 0.07364 -0.00163 0.00650 -0.00647 AFIX 43 H74 2 0.680270 0.672350 0.194461 11.00000 -1.20000 AFIX 0 C75 1 0.672281 0.563872 0.243026 11.00000 0.06259 0.04904 = 0.05576 -0.01867 -0.00804 -0.00445 AFIX 43 H75 2 0.711320 0.582181 0.259889 11.00000 -1.20000 AFIX 0 C76 1 0.634325 0.484512 0.257570 11.00000 0.06688 0.05855 = 0.04033 -0.00267 0.00061 0.00134 AFIX 43 H76 2 0.646758 0.448299 0.284651 11.00000 -1.20000 AFIX 0 C77 1 0.578061 0.457368 0.232804 11.00000 0.04825 0.06316 = 0.07256 0.01713 0.00131 -0.00420 AFIX 43 H77 2 0.551666 0.402334 0.242783 11.00000 -1.20000 PART 1 AFIX 0 C78 1 1.015032 0.522235 0.337184 21.00000 0.06849 0.08583 = 0.04248 0.00625 -0.02250 0.00864 AFIX 43 H78 2 0.974192 0.497769 0.346515 21.00000 -1.20000 AFIX 0 C79 1 1.023015 0.545312 0.291917 21.00000 0.07635 0.09174 = 0.03977 0.00347 -0.00129 0.01814 AFIX 43 H79 2 0.985677 0.550231 0.271573 21.00000 -1.20000 AFIX 0 C80 1 1.084462 0.561280 0.275916 21.00000 0.08290 0.07480 = 0.05589 -0.01901 0.00280 0.00630 AFIX 43 H80 2 1.089838 0.575788 0.244829 21.00000 -1.20000 AFIX 0 C81 1 1.138059 0.555444 0.306713 21.00000 0.07677 0.05872 = 0.07080 -0.01226 -0.00085 0.00996 AFIX 43 H81 2 1.180998 0.555433 0.296162 21.00000 -1.20000 AFIX 0 C82 1 1.128949 0.549659 0.352648 21.00000 0.07413 0.05819 = 0.06887 0.00006 -0.01612 0.00521 AFIX 43 H82 2 1.165459 0.555710 0.373661 21.00000 -1.20000 AFIX 0 C83 1 1.066716 0.535026 0.368519 21.00000 0.06816 0.06823 = 0.04739 0.01382 -0.02456 0.00177 AFIX 43 H83 2 1.060136 0.533909 0.400085 21.00000 -1.20000 PART 2 AFIX 0 C78A 1 1.072901 0.537924 0.274014 -21.00000 0.07295 0.08498 = 0.05731 -0.03401 -0.00428 0.01949 AFIX 43 H78A 2 1.063249 0.535369 0.242236 -21.00000 -1.20000 AFIX 0 C79A 1 1.023981 0.519702 0.303328 -21.00000 0.07626 0.09308 = 0.07299 -0.00325 -0.00253 0.02491 AFIX 43 H79A 2 0.981686 0.499203 0.292057 -21.00000 -1.20000 AFIX 0 C80A 1 1.037709 0.531913 0.349868 -21.00000 0.08242 0.08468 = 0.06742 0.00801 0.01205 0.01410 AFIX 43 H80A 2 1.003255 0.530890 0.370094 -21.00000 -1.20000 AFIX 0 C81A 1 1.101722 0.545531 0.366498 -21.00000 0.08009 0.07351 = 0.04851 0.01617 0.01277 0.02026 AFIX 43 H81A 2 1.111845 0.546821 0.398237 -21.00000 -1.20000 AFIX 0 C82A 1 1.150732 0.557226 0.336424 -21.00000 0.07381 0.06216 = 0.03296 -0.00295 0.00441 0.01129 AFIX 43 H82A 2 1.194875 0.563486 0.347558 -21.00000 -1.20000 AFIX 0 C83A 1 1.135704 0.559818 0.290405 -21.00000 0.07701 0.06442 = 0.03119 -0.01443 -0.00670 0.01282 AFIX 43 H83A 2 1.168422 0.576599 0.270058 -21.00000 -1.20000 AFIX 0 HKLF 4 REM C:\236AJH~1\236ajhjh18_a.res in P2(1)/c REM wR2 = 0.1231, GooF = S = 1.028, Restrained GooF = 1.039 for all data REM R1 = 0.0448 for 12673 Fo > 4sig(Fo) and 0.0620 for all 16265 data REM 936 parameters refined using 96 restraints END WGHT 0.0591 2.1434 REM Highest difference peak 0.721, deepest hole -0.275, 1-sigma level 0.041 Q1 1 0.8832 0.8087 0.3268 11.00000 0.05 0.72 Q2 1 0.7914 0.8685 0.2701 11.00000 0.05 0.53 Q3 1 0.8477 0.6989 0.2605 11.00000 0.05 0.52 Q4 1 0.4319 0.4876 0.3387 11.00000 0.05 0.27 Q5 1 0.7002 0.4349 0.4712 11.00000 0.05 0.26 Q6 1 0.6329 0.7019 0.3500 11.00000 0.05 0.26 Q7 1 0.7170 0.3233 0.4369 11.00000 0.05 0.24 Q8 1 1.0669 0.4989 0.2892 11.00000 0.05 0.24 Q9 1 0.5898 0.3900 0.3908 11.00000 0.05 0.24 Q10 1 0.8027 0.7402 0.3129 11.00000 0.05 0.24 Q11 1 0.7402 0.4412 0.4040 11.00000 0.05 0.23 Q12 1 0.5784 0.4810 0.3806 11.00000 0.05 0.23 Q13 1 0.7292 0.5965 0.3785 11.00000 0.05 0.23 Q14 1 0.8094 0.0585 0.5674 11.00000 0.05 0.23 Q15 1 0.7523 0.7370 0.3331 11.00000 0.05 0.23 Q16 1 0.6395 0.5962 0.1780 11.00000 0.05 0.23 Q17 1 0.5953 0.4992 0.2505 11.00000 0.05 0.22 Q18 1 0.8672 0.5183 0.4501 11.00000 0.05 0.22 Q19 1 0.5385 0.2950 0.4702 11.00000 0.05 0.21 Q20 1 0.5797 0.6664 0.3520 11.00000 0.05 0.21 ; _shelx_res_checksum 4001 _shelx_hkl_file ; 0 0 3 0.15 0.88 0 0 3 0.45 0.99 0 0 3 0.30 0.95 0 0 3 2.34 1.36 0 0 4 3924.13 25.88 0 0 4 3985.09 26.20 0 0 4 3917.11 25.36 0 0 4 3955.13 25.27 0 0 5 -0.94 1.54 0 0 5 -0.63 1.54 0 0 5 -0.38 1.65 0 0 5 1.66 1.69 0 0 6 3715.36 30.50 0 0 6 3700.25 30.15 0 0 6 3800.43 31.16 0 0 7 -2.05 2.17 0 0 7 0.91 2.20 0 0 7 0.06 2.15 0 0 8 178.01 7.97 0 0 8 186.55 8.07 0 0 8 189.22 8.42 0 0 9 1.78 2.09 0 0 9 -1.21 2.43 0 0 10 1007.69 20.55 0 0 10 994.60 21.94 0 0 10 1015.60 21.03 0 0 11 0.50 2.96 0 0 11 1.05 2.34 0 0 11 -0.88 2.73 0 0 12 5.35 2.87 0 0 12 7.04 3.00 0 0 12 9.83 4.14 0 0 13 -1.43 2.75 0 0 13 0.21 2.86 0 0 14 33.09 5.29 0 0 14 35.96 5.65 0 0 15 1.13 2.74 0 0 15 -0.49 2.64 0 0 -15 1.51 3.41 0 0 -16 42.93 6.55 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26.50 5.87 0 5 13 26.72 4.82 0 -5 13 22.80 5.21 0 -5 14 17.89 5.67 0 5 14 16.31 5.36 0 5 -14 14.92 5.84 0 5 14 16.53 4.53 0 -5 14 15.50 4.54 0 -5 15 368.83 21.73 0 5 15 391.65 18.44 0 5 15 381.61 20.55 0 5 -15 375.02 21.80 0 -5 15 396.70 18.20 0 -5 15 384.52 18.32 0 5 16 4.30 4.06 0 -5 16 1.69 3.59 0 5 -16 -3.36 5.08 0 -5 16 0.46 2.68 0 5 16 -0.61 2.85 0 -5 16 4.43 4.02 0 -5 17 20.05 5.10 0 5 17 5.69 3.38 0 5 -17 17.17 5.56 0 -5 17 26.15 6.81 0 -5 17 19.35 5.15 0 5 -18 159.87 15.93 0 5 18 161.31 14.88 0 -5 18 157.01 15.67 0 -5 19 279.45 11.39 0 5 19 281.69 10.92 0 5 -19 284.75 21.16 0 5 19 268.77 10.58 0 5 19 291.02 10.40 0 -5 19 272.54 10.12 0 -5 19 257.31 20.57 0 5 19 266.71 10.74 0 5 19 288.46 11.67 0 -5 19 276.37 10.07 0 5 19 241.89 18.73 0 5 19 282.20 11.02 0 5 19 265.61 10.38 0 -5 19 257.47 10.57 0 5 20 34.70 4.72 0 5 20 24.85 3.97 0 5 20 30.15 4.10 0 5 20 26.42 3.46 0 -5 20 27.12 3.60 0 -5 20 20.29 6.59 0 5 20 32.53 4.08 0 5 20 31.18 4.11 0 -5 20 40.87 4.71 0 5 -20 15.81 6.05 0 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0 5 24 41.76 4.97 0 -5 24 33.04 3.94 0 5 24 29.70 4.43 0 5 24 33.29 4.48 0 -5 24 38.06 4.99 0 5 24 37.59 4.98 0 5 24 33.89 4.39 0 5 25 21.36 4.11 0 -5 25 23.93 4.16 0 5 25 23.81 4.22 0 5 25 22.52 4.00 0 -5 25 24.08 3.94 0 -5 25 20.05 3.32 0 5 25 16.39 3.28 0 5 25 16.65 3.76 0 -5 25 23.65 3.93 0 5 25 21.74 4.16 0 -5 25 19.76 3.56 0 5 25 23.67 4.61 0 -5 26 2.78 2.33 0 5 26 5.78 2.86 0 5 26 7.03 2.55 0 -5 26 10.94 3.18 0 5 26 5.46 2.94 0 -5 26 8.87 2.65 0 -5 26 8.12 2.37 0 5 26 9.73 3.37 0 -5 26 12.06 3.38 0 5 26 6.22 2.89 0 5 26 8.32 3.44 0 -5 27 30.16 3.76 0 5 27 19.53 3.93 0 5 27 19.98 3.87 0 5 27 27.02 4.42 0 5 27 30.40 4.42 0 -5 27 29.41 4.35 0 5 27 29.79 4.89 0 -5 27 26.64 3.78 0 -5 27 37.16 4.39 0 5 27 24.18 3.93 0 5 27 30.48 4.03 0 5 28 -6.47 3.77 0 -5 28 -0.31 1.89 0 -5 28 2.10 2.39 0 5 28 1.90 2.46 0 5 28 0.78 2.68 0 5 28 8.52 3.03 0 -5 28 3.84 1.97 0 5 28 -1.20 2.87 0 5 28 2.85 3.16 0 5 28 0.09 2.67 0 -5 29 -0.18 1.62 0 -5 29 1.01 1.84 0 5 29 1.80 2.20 0 5 29 -0.80 2.67 0 -5 29 0.14 2.45 0 5 29 -0.36 3.21 0 5 29 3.63 2.62 0 -5 29 -0.89 1.78 0 5 29 4.17 2.82 0 5 29 2.98 2.95 0 5 30 12.62 2.79 0 5 30 13.21 3.31 0 5 30 16.08 3.50 0 5 30 14.86 3.13 0 5 30 15.72 2.94 0 -5 30 11.04 2.79 0 -5 31 34.62 3.86 0 5 31 34.89 3.88 0 -5 31 30.78 3.61 0 5 31 41.74 4.54 0 5 -31 27.48 3.31 0 5 31 25.95 3.07 0 5 31 32.58 4.11 0 5 32 6.73 2.68 0 5 32 2.04 2.21 0 5 32 4.09 2.19 0 -5 32 2.70 2.06 0 -5 32 0.26 1.66 0 5 -32 -1.69 1.84 0 5 32 -0.61 1.65 0 -5 33 18.08 2.64 0 -5 33 13.71 1.84 0 5 33 16.58 2.70 0 5 33 19.32 2.53 0 -5 33 19.71 2.42 0 5 -33 19.26 2.45 0 5 -34 -0.39 1.06 0 5 34 5.08 1.94 0 -5 34 0.14 1.31 0 5 34 3.35 1.60 0 -5 35 45.10 2.69 0 -6 0 631.74 22.06 0 6 0 605.26 20.46 0 -6 0 639.09 16.98 0 6 1 149.42 10.48 0 -6 1 150.55 8.92 0 -6 1 133.25 10.59 0 6 -1 131.13 10.22 0 -6 -1 150.72 7.69 0 6 1 169.69 11.10 0 -6 -1 165.08 11.56 0 6 2 16.29 4.47 0 6 2 8.57 3.82 0 -6 2 9.02 3.19 0 -6 -2 6.90 2.02 0 -6 2 8.12 3.98 0 6 -2 13.48 4.57 0 -6 -2 9.84 3.16 0 -6 -2 5.47 3.62 0 -6 3 43.61 6.87 0 6 3 37.51 5.87 0 6 3 34.02 6.12 0 6 -3 48.36 6.90 0 -6 -3 40.40 4.40 0 -6 3 47.31 5.92 0 -6 -3 35.03 5.63 0 -6 4 1.90 3.62 0 6 4 4.77 3.77 0 -6 -4 1.78 1.84 0 6 4 2.88 3.32 0 -6 4 -1.15 3.72 0 -6 -4 -1.50 3.55 0 6 -4 2.65 3.79 0 6 5 99.27 8.97 0 -6 -5 93.72 8.73 0 6 5 95.64 9.31 0 -6 5 105.04 9.20 0 6 -5 88.88 9.26 0 6 -6 0.53 3.78 0 6 6 -1.28 3.35 0 6 6 -0.59 3.45 0 -6 6 -0.66 3.29 0 -6 7 1.41 3.00 0 6 7 -0.16 3.33 0 6 7 1.09 3.24 0 6 -7 4.46 4.44 0 -6 8 -3.56 3.78 0 6 -8 -3.76 4.45 0 6 8 5.84 3.67 0 6 9 21.12 5.27 0 -6 9 20.82 5.43 0 6 -9 21.02 5.26 0 6 10 -0.89 2.90 0 6 -10 1.72 4.15 0 -6 10 2.61 3.52 0 -6 11 4.24 3.29 0 6 11 9.11 4.00 0 6 11 7.23 3.17 0 6 -11 2.97 4.40 0 6 12 171.93 13.58 0 6 12 166.63 12.28 0 -6 12 162.53 13.89 0 6 -12 176.36 14.77 0 6 -13 5.98 5.38 0 6 13 -0.32 2.72 0 6 13 0.96 3.30 0 -6 13 -1.75 3.96 0 6 14 5.07 3.94 0 6 14 -0.33 2.50 0 -6 14 6.51 3.07 0 6 -14 0.28 3.94 0 -6 14 -1.02 3.64 0 -6 15 133.10 11.20 0 6 -15 113.07 12.98 0 6 15 101.74 11.41 0 -6 15 123.26 10.82 0 -6 15 94.72 11.69 0 6 -16 42.28 8.54 0 6 16 57.48 9.39 0 -6 16 50.80 9.02 0 -6 17 147.54 15.30 0 -6 17 139.66 8.10 0 -6 17 142.12 7.53 0 -6 17 137.64 7.76 0 6 17 121.30 7.18 0 6 17 133.68 6.96 0 -6 17 139.15 7.47 0 6 17 133.70 7.75 0 6 17 130.92 7.61 0 6 17 139.04 14.04 0 6 17 138.81 8.03 0 6 17 139.46 7.79 0 6 -17 121.22 13.89 0 -6 18 16.74 3.12 0 6 18 20.84 3.30 0 6 18 15.26 3.49 0 6 18 12.51 3.00 0 6 18 17.01 3.72 0 -6 18 7.47 5.09 0 6 18 14.85 3.39 0 -6 18 22.01 3.57 0 6 18 23.39 3.56 0 6 18 15.78 3.37 0 6 18 18.17 6.14 0 -6 18 17.44 3.27 0 -6 18 15.82 2.75 0 6 -18 10.80 5.76 0 -6 18 16.01 3.29 0 6 -19 18.13 6.59 0 -6 19 23.49 3.33 0 6 19 27.63 4.46 0 6 19 27.13 4.20 0 6 19 25.32 3.75 0 6 19 23.67 4.35 0 6 19 23.90 7.02 0 6 19 25.23 3.91 0 6 19 26.96 3.92 0 -6 19 18.48 3.44 0 -6 19 13.96 6.38 0 6 19 22.75 3.52 0 -6 19 25.51 3.58 0 -6 19 25.34 4.20 0 -6 19 24.85 4.16 0 6 20 3.02 2.50 0 6 -20 -1.32 4.45 0 6 20 4.04 4.45 0 -6 20 2.07 2.33 0 -6 20 5.86 2.52 0 6 20 3.08 2.70 0 6 20 3.09 2.96 0 -6 20 -0.03 2.57 0 6 20 4.05 2.54 0 6 20 1.79 2.18 0 -6 20 3.11 5.24 0 6 20 2.28 2.92 0 6 20 2.96 2.18 0 -6 20 2.91 2.39 0 6 21 41.79 5.17 0 6 21 40.55 9.00 0 -6 21 55.46 5.64 0 6 21 48.56 4.92 0 6 21 44.53 4.92 0 6 -21 46.17 9.55 0 6 21 49.20 5.34 0 -6 21 53.93 5.08 0 6 21 50.93 5.41 0 6 21 48.95 5.45 0 -6 21 51.06 5.54 0 -6 21 24.22 7.19 0 6 21 53.00 5.40 0 -6 21 49.94 5.16 0 -6 22 32.18 3.96 0 -6 22 14.31 5.78 0 6 22 34.90 4.94 0 6 22 33.90 4.94 0 6 22 33.86 4.89 0 6 22 25.75 4.04 0 -6 22 30.64 4.25 0 6 22 28.39 4.40 0 -6 22 37.25 5.11 0 6 22 40.65 4.75 0 6 -22 18.89 6.86 0 6 22 29.23 4.28 0 -6 22 34.46 4.46 0 6 23 50.00 5.31 0 6 23 47.55 4.97 0 6 23 46.14 5.68 0 6 23 43.37 5.33 0 6 23 44.14 4.88 0 6 23 44.38 5.21 0 6 23 43.16 5.28 0 -6 23 45.46 5.62 0 -6 23 47.36 5.29 0 -6 23 45.19 4.58 0 -6 23 49.93 5.13 0 -6 23 48.61 4.89 0 6 24 4.85 3.05 0 6 24 6.38 3.07 0 6 24 4.54 2.65 0 6 24 -2.38 3.72 0 6 24 5.04 3.62 0 6 24 9.58 3.52 0 -6 24 5.22 2.86 0 -6 24 5.03 2.71 0 6 24 0.71 2.27 0 -6 24 4.98 3.13 0 6 24 3.64 3.12 0 6 24 3.69 2.72 0 -6 24 2.67 2.09 0 -6 24 5.16 2.67 0 6 25 13.32 3.76 0 -6 25 18.57 3.70 0 6 25 15.39 3.86 0 -6 25 13.19 3.50 0 6 25 9.52 2.31 0 6 25 11.72 4.42 0 -6 25 14.07 3.27 0 6 25 8.18 2.93 0 6 25 13.59 3.58 0 6 25 12.30 3.39 0 6 25 11.38 3.16 0 -6 25 8.53 2.81 0 -6 25 14.93 3.36 0 6 25 11.54 3.30 0 -6 26 13.46 3.26 0 6 26 19.46 4.14 0 6 26 19.30 3.97 0 -6 26 19.72 4.16 0 6 26 17.89 3.70 0 6 26 30.64 5.04 0 -6 26 17.04 3.06 0 6 26 28.27 8.09 0 -6 26 19.63 3.45 0 -6 26 20.73 3.57 0 6 26 16.53 3.62 0 6 26 15.17 3.41 0 6 27 39.67 4.80 0 6 27 38.64 4.60 0 -6 27 45.45 4.68 0 -6 27 40.09 4.16 0 -6 27 45.81 4.16 0 -6 27 50.65 5.40 0 6 27 57.91 5.42 0 6 27 42.93 4.75 0 -6 27 45.88 4.53 0 6 27 52.59 5.42 0 6 27 50.99 5.25 0 -6 28 3.78 2.57 0 6 28 7.54 3.08 0 6 28 0.35 2.96 0 -6 28 6.57 2.29 0 6 28 8.86 3.03 0 6 28 7.39 2.85 0 -6 28 2.40 2.08 0 6 28 10.83 3.52 0 6 28 9.89 3.15 0 6 29 14.23 3.41 0 6 29 4.32 2.77 0 -6 29 10.87 2.25 0 6 29 20.97 3.54 0 6 29 4.09 2.44 0 -6 29 11.40 3.08 0 -6 29 11.50 2.40 0 6 -30 19.35 3.01 0 -6 30 20.06 2.45 0 6 30 26.91 4.13 0 6 30 20.30 2.97 0 6 30 13.05 2.97 0 -6 30 20.40 3.24 0 6 30 23.24 3.41 0 6 31 14.69 2.79 0 6 31 5.34 2.44 0 -6 31 5.44 2.14 0 6 31 8.14 2.19 0 -6 31 6.15 2.17 0 6 -31 8.06 2.23 0 -6 32 5.02 2.08 0 6 32 5.17 2.00 0 6 32 2.87 1.67 0 6 32 8.04 2.39 0 -6 32 5.02 1.83 0 6 -32 6.08 2.00 0 -6 33 3.95 1.67 0 -6 33 4.92 1.55 0 6 -33 6.21 1.60 0 -6 34 -0.69 1.06 0 7 0 -1.47 3.07 0 -7 0 -1.91 3.85 0 7 0 -0.66 3.72 0 -7 0 -1.30 2.44 0 -7 1 177.01 10.28 0 -7 -1 155.23 12.27 0 7 1 165.51 12.01 0 7 1 180.22 12.36 0 -7 1 167.76 13.08 0 7 -1 174.45 12.81 0 -7 -2 67.75 8.41 0 7 2 55.48 8.17 0 -7 2 67.03 8.61 0 7 -2 55.64 7.38 0 -7 2 66.63 6.93 0 7 2 47.81 7.08 0 -7 -3 206.35 13.97 0 7 3 213.87 14.51 0 -7 3 224.72 15.17 0 7 -3 208.09 14.17 0 -7 3 214.18 12.54 0 7 3 211.06 13.82 0 7 4 187.72 13.53 0 7 -4 182.73 13.44 0 -7 -4 181.63 13.04 0 -7 4 187.93 12.29 0 7 4 207.20 13.79 0 -7 4 204.91 14.80 0 -7 5 116.40 10.17 0 7 5 104.98 10.25 0 -7 -5 106.22 10.17 0 7 -5 109.35 11.06 0 7 5 108.37 10.59 0 7 6 184.30 13.26 0 -7 6 154.34 11.99 0 -7 -6 182.75 12.99 0 7 6 184.58 13.27 0 7 -6 186.76 14.21 0 7 7 8.46 4.26 0 -7 -7 12.30 4.59 0 7 -7 12.96 4.65 0 -7 7 7.14 3.88 0 7 7 9.72 4.49 0 -7 -8 4.56 3.31 0 7 -8 0.37 3.57 0 7 8 -1.15 2.82 0 -7 8 0.45 3.16 0 -7 9 63.04 8.65 0 -7 -9 52.06 7.42 0 7 9 64.33 8.19 0 7 -9 68.49 9.91 0 -7 10 -3.48 4.04 0 7 10 0.20 2.94 0 7 -10 -0.97 4.32 0 -7 -10 -1.95 2.80 0 -7 11 82.00 10.39 0 7 11 84.60 9.39 0 -7 -11 94.75 9.79 0 7 11 83.80 9.82 0 7 -11 74.07 10.18 0 7 12 75.75 9.86 0 7 -12 74.92 10.83 0 -7 12 80.83 10.60 0 7 12 83.18 9.38 0 -7 13 1.36 3.47 0 7 -13 -4.52 4.98 0 7 13 3.20 3.13 0 -7 14 29.75 7.07 0 7 -14 25.82 6.64 0 7 14 22.31 6.15 0 -7 15 2.65 3.38 0 7 15 6.39 2.97 0 7 15 5.67 4.56 0 -7 15 4.10 2.29 0 7 15 1.50 2.26 0 7 15 2.07 1.79 0 -7 15 3.79 2.13 0 -7 15 3.60 2.22 0 7 -15 5.86 4.87 0 -7 15 4.96 2.27 0 7 15 5.28 2.83 0 7 15 2.58 2.60 0 7 15 5.68 2.80 0 7 16 5.35 2.60 0 7 16 5.13 2.68 0 -7 16 5.03 4.95 0 -7 16 4.08 2.24 0 7 16 1.36 2.43 0 -7 16 6.01 2.88 0 7 -16 6.08 4.60 0 7 16 6.37 2.64 0 -7 16 3.28 2.05 0 -7 16 5.44 2.07 0 7 16 4.56 2.27 0 7 16 4.39 2.69 0 7 16 0.64 3.46 0 7 16 -0.22 2.17 0 -7 16 5.00 2.37 0 7 17 15.90 3.98 0 7 17 8.02 5.73 0 7 17 5.13 2.27 0 7 17 15.10 3.57 0 7 17 13.34 3.64 0 -7 17 20.63 6.44 0 7 17 7.18 2.66 0 -7 17 14.21 3.55 0 7 17 9.01 2.56 0 -7 17 12.19 2.68 0 7 17 11.87 3.50 0 7 -17 6.60 4.67 0 -7 17 15.04 3.44 0 7 17 11.46 3.21 0 -7 17 10.78 2.60 0 -7 17 8.72 2.55 0 7 18 12.92 3.29 0 -7 18 10.96 3.39 0 7 18 6.90 5.04 0 7 18 11.99 2.35 0 -7 18 18.35 3.59 0 7 18 13.51 3.52 0 -7 18 11.54 2.60 0 -7 18 12.77 4.74 0 7 18 17.78 4.21 0 7 -18 17.72 7.43 0 7 18 12.82 3.31 0 -7 18 14.02 3.43 0 7 18 6.35 2.65 0 7 18 12.19 2.83 0 7 18 14.50 3.69 0 -7 18 8.44 2.80 0 -7 19 97.99 6.72 0 7 19 97.97 7.28 0 7 19 91.92 6.77 0 7 19 117.70 7.99 0 7 19 100.60 7.12 0 7 19 94.87 12.58 0 7 19 86.13 6.78 0 7 19 94.23 6.25 0 7 19 97.48 6.67 0 -7 19 104.57 6.22 0 7 -19 73.93 11.93 0 -7 19 94.22 13.22 0 7 19 108.69 7.80 0 -7 19 91.10 7.05 0 -7 19 92.70 6.90 0 -7 20 34.25 4.10 0 -7 20 32.89 4.41 0 7 20 37.24 5.26 0 7 20 23.49 3.82 0 -7 20 38.52 4.19 0 7 20 35.95 4.39 0 7 20 37.12 4.10 0 -7 20 33.39 4.58 0 7 20 36.06 4.86 0 7 20 41.22 5.41 0 7 20 30.62 7.91 0 7 20 30.79 4.72 0 7 20 30.55 4.58 0 -7 20 11.14 6.03 0 -7 20 30.66 4.55 0 7 -20 31.62 7.81 0 7 21 232.98 11.21 0 -7 21 238.78 10.43 0 -7 21 211.03 8.59 0 7 21 205.53 9.83 0 -7 21 220.92 9.53 0 7 21 211.55 10.49 0 -7 21 227.04 10.62 0 7 21 230.06 9.72 0 7 21 208.97 10.38 0 7 21 220.95 10.42 0 -7 21 224.50 10.99 0 7 21 237.99 10.29 0 7 21 209.94 10.30 0 7 22 15.45 3.73 0 7 22 17.09 4.33 0 7 22 8.55 2.94 0 7 22 15.63 3.86 0 -7 22 24.40 5.62 0 -7 22 12.96 2.83 0 -7 22 15.13 3.37 0 7 22 17.05 3.58 0 -7 22 14.84 3.74 0 7 22 6.59 2.96 0 7 22 19.30 3.50 0 7 23 5.57 3.33 0 7 23 -2.97 3.53 0 -7 23 1.44 2.53 0 7 23 0.14 3.54 0 7 23 4.42 3.00 0 -7 23 3.47 2.58 0 7 23 3.27 2.41 0 -7 23 3.04 2.95 0 7 23 6.83 3.03 0 -7 23 2.59 2.45 0 -7 23 1.29 2.15 0 7 23 10.89 4.10 0 -7 24 3.40 2.16 0 7 24 3.73 3.22 0 7 24 2.78 3.43 0 -7 24 1.62 2.11 0 7 24 3.42 3.22 0 7 24 0.71 2.28 0 7 24 -1.19 2.38 0 7 24 -1.22 3.08 0 -7 24 -0.44 2.50 0 7 24 -9.63 4.41 0 -7 24 -0.29 2.77 0 -7 24 1.65 2.60 0 -7 25 4.20 2.62 0 7 25 0.90 2.42 0 -7 25 0.02 2.26 0 7 25 2.72 2.25 0 7 25 -0.55 2.56 0 -7 25 2.84 2.16 0 7 25 -4.33 3.64 0 -7 25 2.41 2.72 0 -7 25 -1.42 2.59 0 7 25 -3.82 3.20 0 7 25 4.66 3.16 0 -7 26 0.43 1.78 0 7 26 2.30 2.74 0 -7 26 -0.87 2.23 0 7 26 0.50 3.18 0 7 26 1.51 2.62 0 7 26 -0.40 2.38 0 7 26 10.76 3.85 0 -7 26 2.24 2.92 0 7 26 5.78 3.22 0 -7 26 4.05 2.60 0 -7 26 3.06 2.28 0 7 27 44.41 5.27 0 7 27 39.50 4.31 0 7 27 36.22 3.28 0 7 27 36.12 4.61 0 7 27 28.90 4.00 0 -7 27 31.77 4.31 0 -7 27 31.48 3.28 0 7 27 33.93 4.25 0 7 -27 33.54 4.05 0 -7 27 29.08 3.73 0 -7 27 34.71 3.82 0 -7 27 34.83 3.87 0 -7 28 -2.21 2.34 0 7 28 -0.57 2.71 0 7 28 1.88 2.50 0 -7 28 -2.98 2.39 0 7 -28 0.39 2.30 0 -7 28 2.48 1.75 0 7 28 4.42 2.69 0 7 29 56.72 5.10 0 -7 29 52.49 3.95 0 7 -29 54.78 4.37 0 -7 29 51.85 4.61 0 -7 29 45.63 3.41 0 7 29 51.45 4.33 0 7 29 53.19 4.43 0 7 30 2.17 1.94 0 -7 30 -2.11 2.24 0 -7 30 0.41 1.32 0 7 30 -1.50 2.22 0 7 -30 0.33 1.79 0 7 31 9.26 2.66 0 -7 31 5.02 1.87 0 -7 31 4.70 1.37 0 7 -31 6.50 2.15 0 -7 31 4.95 1.99 0 7 31 4.07 1.75 0 7 32 4.88 2.13 0 -7 32 1.68 1.56 0 -7 32 -0.63 1.40 0 7 -32 2.97 1.42 0 7 32 1.37 1.34 0 7 -33 0.03 0.96 0 -7 33 -0.97 1.13 0 -8 0 90.29 10.44 0 8 0 90.31 10.06 0 8 0 94.12 10.06 0 8 -1 34.60 6.89 0 -8 1 23.31 6.78 0 8 1 22.17 6.25 0 8 1 22.62 6.39 0 8 -1 26.37 5.91 0 -8 -1 22.41 5.62 0 8 2 23.66 5.91 0 -8 -2 20.37 6.17 0 -8 2 16.48 3.78 0 8 2 16.50 5.22 0 8 -2 17.94 4.80 0 -8 2 15.07 5.08 0 8 -2 20.25 5.75 0 -8 3 101.48 9.11 0 8 -3 100.59 10.85 0 8 3 91.26 10.26 0 8 3 92.77 10.54 0 -8 -3 97.14 10.80 0 -8 4 5.05 2.73 0 8 4 4.68 4.49 0 -8 -4 5.89 4.22 0 8 -4 10.03 4.45 0 8 4 3.32 3.32 0 -8 5 77.53 9.12 0 -8 -5 75.72 9.43 0 8 5 74.70 9.62 0 8 -5 79.97 10.27 0 8 5 72.44 9.18 0 8 6 5.58 4.53 0 -8 6 2.10 2.91 0 -8 -6 6.87 4.84 0 8 -6 3.01 3.77 0 8 6 6.29 4.15 0 -8 -7 124.80 11.86 0 8 7 113.55 11.84 0 8 -7 103.74 11.73 0 -8 7 102.89 10.77 0 8 7 107.42 11.05 0 -8 8 87.63 10.63 0 8 8 76.76 9.42 0 8 -8 74.54 10.44 0 -8 -8 78.19 9.88 0 -8 9 18.27 5.65 0 8 -9 26.28 6.59 0 -8 -9 19.76 5.27 0 8 9 17.19 4.70 0 8 10 5.77 3.67 0 -8 10 10.23 3.61 0 -8 -10 5.55 3.32 0 8 -10 7.32 4.20 0 -8 11 3.14 3.54 0 8 11 0.72 3.91 0 8 -11 1.99 4.44 0 8 -12 39.72 9.18 0 8 12 27.59 6.47 0 -8 12 27.93 3.51 0 8 12 33.72 4.40 0 -8 12 32.94 4.15 0 -8 12 32.09 3.83 0 -8 12 34.28 3.78 0 8 12 35.01 3.97 0 8 12 30.02 3.90 0 -8 12 26.22 6.71 0 8 13 352.28 11.46 0 8 13 363.99 12.65 0 -8 13 359.79 12.69 0 8 13 364.07 22.38 0 8 -13 349.68 23.67 0 -8 13 359.73 23.31 0 -8 13 382.80 12.88 0 8 13 330.38 11.56 0 8 13 354.68 12.16 0 -8 13 371.07 12.39 0 -8 13 347.83 11.01 0 -8 13 361.67 11.58 0 8 14 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19.35 3.95 0 -8 23 16.78 3.92 0 8 23 19.23 3.20 0 8 23 25.64 4.36 0 -8 23 27.77 4.30 0 -8 23 24.07 3.59 0 -8 23 21.13 3.11 0 -8 23 22.79 3.05 0 8 23 20.35 3.55 0 -8 23 24.44 4.17 0 8 23 21.99 3.83 0 -8 24 0.10 1.85 0 8 24 3.44 2.17 0 -8 24 -1.81 2.66 0 -8 24 0.17 2.52 0 -8 24 3.38 2.52 0 8 24 3.42 2.48 0 8 24 6.13 3.24 0 8 24 4.65 3.14 0 -8 24 3.17 2.77 0 8 24 -2.38 2.84 0 8 -24 2.83 2.64 0 8 25 73.85 5.99 0 -8 25 78.70 6.48 0 8 25 70.15 4.69 0 -8 25 78.77 5.79 0 8 25 78.12 6.15 0 -8 25 77.69 4.94 0 -8 25 72.82 5.94 0 -8 25 68.11 5.12 0 8 25 79.18 5.68 0 8 25 74.26 5.78 0 8 -25 71.32 5.68 0 8 26 10.92 3.01 0 -8 26 9.27 2.30 0 8 -26 5.51 2.63 0 8 26 6.54 2.15 0 8 26 5.70 2.74 0 -8 26 7.03 2.41 0 -8 26 8.21 2.65 0 -8 26 5.68 2.64 0 -8 26 11.47 3.21 0 -8 27 0.53 2.23 0 8 27 2.33 2.69 0 -8 27 -0.32 1.89 0 -8 27 2.95 2.30 0 -8 27 0.74 1.48 0 -8 27 2.37 2.27 0 8 27 0.53 1.69 0 8 -27 1.63 2.27 0 8 27 2.56 2.50 0 8 28 -0.77 2.19 0 8 -28 -0.48 1.95 0 8 28 5.58 2.74 0 -8 28 0.03 1.34 0 -8 28 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0 9 8 33.57 3.99 0 -9 8 30.14 5.75 0 -9 8 27.50 3.46 0 9 -8 35.39 3.94 0 -9 -8 35.46 7.25 0 -9 8 33.60 3.96 0 -9 9 242.75 9.99 0 9 -9 235.68 19.58 0 9 9 255.83 10.54 0 9 -9 238.30 9.36 0 -9 9 232.83 17.61 0 -9 -9 255.51 18.01 0 -9 9 243.99 9.37 0 -9 9 262.60 10.31 0 -9 9 249.32 10.07 0 9 9 255.02 9.79 0 9 10 16.22 5.60 0 9 10 15.01 3.54 0 9 -10 10.95 5.60 0 -9 10 10.94 2.89 0 -9 10 14.94 2.78 0 -9 10 19.42 3.53 0 9 10 13.36 2.96 0 -9 10 19.29 3.47 0 9 -10 13.12 2.78 0 -9 10 16.60 5.18 0 -9 11 230.88 9.36 0 -9 11 235.05 10.23 0 9 11 215.66 10.05 0 9 11 225.44 9.45 0 -9 11 244.95 18.95 0 9 -11 224.24 9.34 0 -9 11 229.53 9.90 0 -9 11 226.69 9.92 0 -9 11 228.73 9.14 0 9 11 241.35 18.43 0 9 -11 217.43 19.12 0 -9 12 2.74 2.11 0 -9 12 5.42 2.24 0 -9 12 0.73 2.18 0 9 -12 9.60 8.38 0 -9 12 4.51 2.57 0 -9 12 1.39 2.22 0 9 12 4.94 4.87 0 9 -12 1.07 2.19 0 -9 12 -1.12 5.67 0 9 12 1.31 2.02 0 9 12 0.81 2.52 0 9 13 55.76 5.75 0 -9 13 60.49 5.78 0 9 -13 74.14 5.96 0 9 13 59.39 9.63 0 9 13 62.46 5.34 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12 6 7.46 2.60 0 -12 6 4.59 2.52 0 -12 7 15.47 3.39 0 12 7 15.77 3.32 0 12 7 15.84 3.32 0 12 8 69.26 5.57 0 -12 8 75.95 5.84 0 12 8 73.10 5.54 0 -12 9 8.51 2.97 0 12 -9 7.47 2.53 0 12 9 6.19 2.62 0 12 9 8.53 3.16 0 -12 10 46.89 4.82 0 12 10 53.66 5.08 0 12 -10 58.22 4.74 0 12 10 52.23 4.78 0 -12 11 7.72 2.93 0 12 11 3.68 2.55 0 -12 11 2.67 1.82 0 12 -11 8.72 2.58 0 -12 11 6.92 2.78 0 12 11 4.99 2.50 0 12 -12 3.91 2.26 0 12 12 2.74 2.26 0 -12 12 5.29 2.65 0 12 12 3.90 2.81 0 -12 12 5.69 2.23 0 -12 12 5.75 2.66 0 -12 13 6.75 2.73 0 12 13 6.99 2.71 0 -12 13 10.88 2.89 0 12 -13 9.63 2.71 0 12 13 8.37 2.66 0 -12 13 8.16 2.14 0 -12 14 4.01 2.05 0 -12 14 2.79 2.26 0 12 -14 8.92 2.57 0 -12 14 2.32 2.41 0 12 14 3.85 2.29 0 12 14 3.34 2.33 0 -12 15 3.37 2.37 0 12 15 0.15 2.26 0 12 -15 2.46 2.15 0 -12 15 3.95 2.15 0 -12 15 5.79 2.27 0 -12 16 27.84 3.40 0 12 16 25.92 3.54 0 12 -16 27.13 3.43 0 -12 16 28.35 3.53 0 -12 16 24.24 3.75 0 -12 17 6.63 2.20 0 12 -17 9.98 2.67 0 -12 17 9.26 2.53 0 12 17 8.25 2.45 0 -12 17 10.16 2.79 0 -12 17 9.88 2.41 0 -12 18 5.05 2.33 0 -12 18 5.78 2.02 0 12 18 8.64 2.17 0 -12 18 6.99 2.62 0 12 -18 5.89 2.19 0 -12 18 7.49 2.52 0 -12 19 1.24 1.79 0 -12 19 3.96 1.94 0 12 -19 3.60 2.07 0 -12 19 6.51 2.75 0 12 19 4.06 1.87 0 -12 19 7.16 2.03 0 -12 20 63.28 3.95 0 -12 20 69.99 4.82 0 -12 20 63.94 3.83 0 12 -20 58.27 4.08 0 12 20 65.30 3.85 0 -12 21 1.21 1.45 0 12 -21 -0.51 1.59 0 -12 21 2.55 1.39 0 -12 21 2.79 2.03 0 12 21 0.61 1.32 0 12 -22 7.92 1.86 0 -12 22 8.45 1.56 0 -12 22 7.06 1.50 0 12 22 9.24 1.75 0 -12 22 15.03 2.48 0 12 22 8.62 1.43 0 12 23 -1.33 1.44 0 -12 23 0.84 1.58 0 -12 23 1.83 1.06 0 12 -23 0.23 1.31 0 12 24 10.91 1.45 0 12 -24 11.74 1.68 0 -12 24 9.02 1.67 0 -12 25 2.09 1.01 0 13 0 3.70 2.28 0 13 0 -0.89 1.73 0 -13 0 -0.97 2.29 0 -13 -1 13.12 2.84 0 13 -1 10.36 2.15 0 13 -1 10.84 2.50 0 13 1 14.43 2.83 0 -13 1 15.81 3.24 0 13 1 10.29 2.58 0 13 -2 145.61 6.57 0 13 2 141.66 7.22 0 13 -2 139.71 6.89 0 -13 -2 145.55 7.35 0 13 2 138.20 6.93 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16.06 -3 5 5 513.36 15.25 3 -5 -5 497.51 10.90 -3 -5 5 497.11 18.10 -3 5 5 509.34 18.82 3 -5 -5 515.96 17.13 -3 5 4 156.16 9.07 3 5 -4 168.83 11.42 3 -5 -4 160.02 9.74 -3 5 4 167.16 10.93 3 -5 -4 165.97 9.53 -3 -5 4 156.83 10.92 -3 -5 4 169.13 10.53 3 -5 -4 163.39 7.18 -3 -5 3 190.56 10.52 3 5 -3 174.43 11.41 3 -5 -3 174.30 8.02 -3 5 3 173.27 10.98 -3 5 3 199.39 8.78 3 -5 -3 180.64 10.44 -3 -5 3 177.22 11.52 3 -5 -3 182.61 10.10 -3 -5 2 197.60 10.27 3 -5 -2 193.67 10.86 3 -5 -2 192.50 8.83 3 5 -2 209.62 12.46 -3 5 2 205.37 9.25 3 -5 -1 211.34 11.47 3 5 -1 217.24 10.18 -3 5 1 215.63 9.81 -3 -5 1 211.54 10.19 3 5 -1 208.63 12.21 3 -5 -1 199.45 9.57 3 -5 0 487.86 15.30 3 -5 0 473.63 17.23 3 5 0 489.86 18.39 3 5 0 494.52 14.98 -3 5 0 475.48 14.94 3 5 1 746.27 23.71 3 -5 1 702.26 21.27 -3 5 -1 702.45 18.76 3 5 1 741.69 18.66 3 -5 1 700.22 19.25 3 -5 2 455.88 17.42 -3 5 -2 464.99 15.89 3 5 2 477.00 15.30 3 -5 2 435.16 15.90 3 5 2 438.63 18.31 3 -5 3 45.60 5.93 3 5 3 42.92 5.27 -3 5 -3 46.93 5.95 3 -5 3 46.45 6.43 3 5 3 44.55 6.55 3 5 4 339.25 13.68 3 5 4 337.03 16.47 3 -5 4 342.65 15.39 -3 5 -4 340.51 14.50 3 -5 4 322.72 15.58 3 -5 5 67.20 7.47 3 5 5 58.63 7.29 -3 5 -5 64.37 7.02 3 -5 5 70.26 8.08 -3 5 -6 44.70 6.64 3 -5 6 39.61 6.62 3 -5 6 42.84 6.45 3 5 6 40.06 6.41 3 -5 7 196.72 12.98 3 -5 7 209.89 13.66 -3 5 -7 222.03 13.24 3 5 7 205.21 13.36 -3 5 -8 5.23 4.48 3 5 8 4.97 4.27 3 -5 8 4.46 3.98 3 -5 8 4.14 4.09 3 5 9 37.36 6.84 3 -5 9 42.36 7.07 -3 5 -9 42.27 6.59 3 -5 10 124.19 11.51 -3 5 -10 139.11 11.67 3 5 10 135.39 11.64 -3 5 -11 1.43 4.46 3 5 11 2.13 4.15 3 -5 11 0.43 4.11 3 -5 12 134.76 12.84 3 5 12 157.91 12.82 3 5 12 160.80 12.93 -3 5 -12 149.09 13.16 3 5 13 31.24 6.48 -3 5 -13 43.91 7.83 3 5 13 42.58 7.21 3 -5 13 37.79 7.48 -3 5 -14 2.84 4.18 3 5 14 6.52 4.57 3 5 14 5.17 3.99 3 -5 14 7.15 4.39 -3 5 -15 -5.43 5.11 3 -5 15 0.73 4.49 3 5 15 0.97 3.28 3 5 15 1.98 3.39 -3 5 -16 76.92 10.92 3 5 16 82.00 9.96 3 5 16 83.85 10.62 3 -5 16 62.54 9.68 3 -5 17 191.22 17.27 3 5 17 196.03 16.24 3 5 17 199.95 15.89 -3 5 -17 188.07 16.87 3 5 18 -1.91 5.19 -3 5 -18 -2.69 4.82 3 -5 18 -0.95 2.08 3 5 18 1.16 2.28 3 5 18 0.82 2.03 3 -5 18 5.47 2.44 3 5 18 0.20 2.34 3 5 18 -4.40 2.80 3 -5 18 0.83 2.11 3 5 18 -0.21 2.33 3 5 18 3.14 4.24 3 -5 18 -2.46 4.27 3 5 18 2.17 2.50 3 -5 18 -1.03 1.94 3 -5 19 3.82 2.55 3 5 19 1.63 2.10 -3 5 -19 7.60 5.69 3 5 19 3.80 2.53 3 5 19 6.62 4.68 3 5 19 5.52 2.58 3 -5 19 1.16 2.24 3 5 19 3.58 2.45 3 5 19 5.87 2.60 3 -5 19 8.42 3.18 3 5 19 7.25 2.50 3 5 19 -6.35 5.49 3 -5 19 3.28 3.90 3 5 19 8.38 3.27 3 -5 19 5.26 2.14 3 -5 19 3.10 2.12 3 5 20 10.60 4.96 3 5 20 14.81 3.76 3 -5 20 9.21 2.50 3 -5 20 22.18 7.30 3 -5 20 12.58 2.97 3 -5 20 14.86 3.22 3 5 20 16.19 3.65 3 5 20 19.38 3.82 3 5 20 20.75 3.34 3 -5 20 15.61 3.50 3 -5 20 14.08 3.40 3 5 20 10.86 2.88 3 5 20 14.21 5.16 3 5 20 16.88 3.74 -3 5 -20 25.81 7.82 3 5 20 14.83 3.36 3 5 21 5.90 2.86 3 -5 21 -1.62 2.52 3 -5 21 7.79 5.92 3 5 21 0.43 2.55 3 5 21 0.07 2.24 3 -5 21 2.76 2.46 3 5 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-5 26 26.74 4.02 3 5 26 26.11 4.11 -3 5 -27 5.91 2.34 3 5 27 9.02 3.10 3 5 27 8.01 3.63 3 5 27 12.87 3.65 3 -5 27 5.57 2.58 3 5 27 10.72 3.55 3 -5 27 5.06 2.60 3 -5 27 6.50 2.45 3 5 28 4.30 2.67 3 5 28 7.11 3.14 3 -5 28 4.31 2.10 3 -5 28 4.89 2.53 3 5 28 8.88 3.27 3 5 28 3.49 2.74 -3 5 -28 4.11 2.19 3 -5 29 0.82 2.11 3 -5 29 2.49 1.73 3 5 29 6.95 3.03 3 5 29 5.82 2.55 3 5 29 3.20 2.47 3 5 29 3.24 2.91 -3 5 -29 2.75 2.18 3 5 30 3.40 2.18 3 5 30 7.86 2.49 3 -5 30 2.56 2.26 3 5 30 -2.83 3.14 3 5 30 7.84 2.97 3 5 30 8.36 3.12 3 -5 30 5.14 1.79 3 -5 30 1.93 1.89 -3 5 -30 3.13 1.89 -3 5 -31 -2.50 1.79 3 5 31 -1.47 2.15 3 5 31 6.10 2.51 3 -5 31 -3.52 1.78 3 -5 31 -2.80 1.84 3 5 31 1.13 1.86 3 5 31 -2.23 2.55 3 -5 31 -1.94 2.20 3 5 32 58.46 4.39 -3 5 -32 58.32 3.41 3 5 32 55.84 4.11 3 -5 32 58.10 3.63 3 -5 32 60.52 4.36 3 5 32 51.86 3.72 3 5 32 60.61 4.37 3 -5 33 11.11 2.12 3 5 33 14.45 2.42 3 -5 33 9.40 1.56 3 5 33 9.62 2.17 3 5 33 10.30 1.88 3 5 34 1.44 1.53 3 5 34 5.75 1.79 3 -5 34 1.98 1.19 3 6 -34 16.87 1.85 -3 -6 34 15.64 1.76 -3 -6 34 15.39 1.63 3 6 -33 -1.19 1.44 -3 -6 33 1.46 1.39 -3 -6 33 0.56 1.30 3 6 -32 11.07 2.21 -3 -6 32 11.04 2.30 -3 -6 32 12.89 2.27 -3 6 32 19.02 3.24 -3 -6 31 48.09 4.27 -3 6 31 51.03 3.58 -3 6 31 52.29 4.42 -3 6 31 52.29 4.68 -3 -6 31 41.30 3.82 -3 6 31 52.22 3.60 -3 6 30 2.11 1.94 -3 6 30 5.28 2.49 -3 6 30 3.29 2.45 -3 -6 30 -0.64 1.83 -3 6 30 4.37 2.81 -3 6 30 2.77 2.01 -3 -6 30 1.26 2.40 -3 -6 30 1.64 1.85 -3 -6 29 1.53 2.53 -3 -6 29 -0.39 2.00 -3 6 29 3.80 2.27 -3 6 29 0.17 2.06 -3 6 29 1.19 2.81 -3 6 29 -0.93 2.62 -3 6 29 0.42 2.78 -3 6 29 5.81 2.15 -3 -6 29 -0.33 2.07 -3 6 29 1.29 2.41 -3 -6 28 35.96 3.88 -3 6 28 40.62 4.08 -3 -6 28 35.46 4.54 -3 6 28 31.81 4.21 -3 -6 28 37.23 4.08 -3 6 28 35.60 3.54 -3 6 28 38.07 4.80 -3 6 28 35.90 4.86 -3 6 28 40.47 4.91 -3 6 28 35.30 4.15 -3 6 27 2.26 2.31 -3 6 27 1.97 2.61 -3 6 27 1.21 2.31 -3 6 27 2.88 3.24 -3 6 27 2.80 3.00 -3 -6 27 3.28 2.35 -3 6 27 5.88 3.02 -3 -6 27 5.34 2.93 -3 6 27 6.83 2.84 -3 -6 27 5.21 2.33 -3 6 27 5.98 3.04 -3 -6 27 -1.48 2.44 -3 -6 26 2.31 2.32 -3 -6 26 0.83 2.37 -3 6 26 2.45 3.15 -3 6 26 -1.64 3.07 -3 6 26 1.15 2.91 -3 6 26 0.73 2.44 -3 6 26 2.30 3.37 -3 6 26 5.72 2.90 -3 6 26 4.22 2.43 -3 -6 26 4.84 2.96 -3 6 26 -3.54 3.10 -3 -6 26 1.62 2.11 -3 -6 25 35.15 4.53 -3 6 25 39.21 4.59 -3 6 25 37.99 5.01 -3 6 25 34.30 4.59 -3 -6 25 32.79 4.36 -3 -6 25 35.23 4.01 -3 6 25 35.20 4.23 -3 -6 25 35.54 4.89 -3 6 25 33.05 3.98 -3 -6 25 37.04 4.11 -3 6 25 38.23 4.70 -3 6 25 29.18 4.84 -3 6 25 35.26 5.01 -3 -6 24 10.93 3.23 -3 6 24 3.84 2.67 -3 6 24 9.37 3.08 -3 -6 24 10.02 3.08 -3 -6 24 14.82 3.16 -3 6 24 7.78 3.12 -3 6 24 19.44 3.94 -3 -6 24 9.25 2.69 -3 -6 24 5.47 3.11 -3 6 24 11.93 3.52 -3 6 24 7.25 3.45 -3 6 24 11.49 3.49 -3 6 24 8.05 2.67 -3 -6 23 105.71 7.30 -3 6 23 101.49 7.42 -3 6 23 94.53 6.75 -3 6 23 105.49 7.49 -3 -6 23 100.37 7.70 -3 6 23 111.53 7.33 -3 -6 23 108.50 6.37 -3 6 23 107.36 6.87 -3 6 23 104.92 6.47 -3 6 23 104.64 7.74 -3 6 23 103.09 7.60 -3 -6 23 110.24 6.82 -3 6 23 89.87 6.85 -3 6 22 1.69 2.87 -3 6 22 4.58 3.21 -3 -6 22 2.27 2.55 -3 6 22 1.98 2.71 -3 6 22 1.10 3.07 -3 -6 22 1.23 2.31 -3 -6 22 -0.78 2.63 -3 6 22 1.43 2.60 -3 -6 22 1.88 2.10 -3 6 22 -0.21 3.18 -3 6 22 -1.98 2.84 -3 6 22 2.27 2.72 -3 6 21 109.87 7.18 -3 6 21 103.39 7.46 3 6 -21 99.12 13.71 -3 -6 21 118.35 14.82 -3 -6 21 109.24 7.52 -3 6 21 108.43 7.26 -3 -6 21 125.43 6.98 -3 -6 21 115.69 6.97 -3 6 21 107.71 7.78 -3 -6 21 106.46 7.69 -3 6 21 120.65 7.78 -3 6 21 115.19 7.21 -3 6 21 109.37 7.42 -3 6 21 109.11 7.19 -3 -6 20 180.09 9.35 -3 6 20 182.03 8.79 -3 -6 20 196.44 8.38 -3 6 20 195.26 17.66 -3 -6 20 191.56 8.89 -3 6 20 179.90 9.18 -3 -6 20 175.91 9.04 -3 6 20 177.14 9.58 -3 -6 20 183.48 16.32 -3 6 20 173.53 8.48 -3 -6 20 172.10 9.49 -3 -6 20 201.04 16.86 -3 6 20 172.68 8.73 3 6 -20 190.78 18.48 -3 6 20 167.07 9.29 -3 -6 20 175.48 18.12 -3 6 20 178.79 9.29 -3 6 19 146.90 8.64 -3 -6 19 149.51 7.78 -3 6 19 143.87 8.27 -3 6 19 147.37 8.39 -3 -6 19 168.05 17.39 3 6 -19 149.26 16.13 -3 6 19 142.42 7.78 -3 -6 19 156.91 15.13 -3 -6 19 164.12 8.93 -3 6 19 150.84 8.37 -3 -6 19 155.56 8.93 -3 -6 19 159.45 7.51 -3 6 19 145.23 7.76 -3 -6 19 146.68 8.23 -3 -6 19 167.68 15.17 -3 6 19 151.81 8.77 -3 6 19 143.33 14.58 -3 6 18 54.00 4.84 -3 6 18 58.25 5.26 3 6 -18 47.41 9.32 -3 -6 18 74.70 10.67 -3 6 18 67.40 5.99 -3 -6 18 61.95 5.34 -3 6 18 65.00 5.59 -3 -6 18 51.48 8.92 -3 6 18 62.00 5.36 -3 6 18 55.33 5.54 -3 -6 18 50.81 10.07 -3 -6 18 52.15 5.34 -3 -6 18 53.91 4.51 -3 -6 18 60.88 5.49 -3 6 18 44.43 8.18 -3 6 18 52.35 5.01 3 6 -17 7.31 3.82 -3 -6 17 6.95 2.24 -3 -6 17 2.35 3.90 -3 6 17 4.02 2.52 -3 6 17 8.20 3.28 -3 -6 17 3.72 4.31 -3 6 17 7.01 2.36 -3 6 17 0.92 3.60 -3 -6 17 10.84 5.45 -3 6 17 4.00 2.29 -3 6 17 4.50 2.39 -3 -6 17 5.81 2.27 -3 6 17 6.48 2.63 -3 -6 17 7.18 2.93 -3 -6 16 47.85 8.90 -3 -6 16 67.31 9.72 -3 6 16 60.57 9.46 3 6 -16 59.29 10.16 -3 6 15 42.36 7.82 -3 -6 15 64.38 9.47 -3 -6 15 51.32 9.07 3 6 -15 62.30 9.77 -3 6 14 150.85 13.09 -3 -6 14 151.04 14.53 3 6 -14 157.77 14.63 -3 -6 13 -1.26 3.51 -3 6 13 -2.31 3.21 3 6 -13 0.73 4.19 3 6 -12 451.63 23.60 -3 6 12 493.98 21.70 3 6 -11 7.04 4.12 -3 6 11 5.45 2.91 -3 -6 11 9.21 4.30 3 6 -10 70.61 9.47 -3 -6 10 79.36 9.78 -3 6 10 76.58 8.45 -3 -6 9 181.56 13.64 3 -6 -9 159.32 10.07 3 6 -9 156.76 13.31 3 -6 -9 165.71 10.03 -3 6 9 179.41 11.88 -3 6 9 186.81 13.75 -3 6 8 64.32 7.18 3 6 -8 59.84 8.89 3 -6 -8 63.73 6.60 -3 6 8 65.11 6.28 -3 -6 8 73.69 8.62 -3 6 8 63.18 8.02 -3 -6 8 73.07 9.29 3 -6 -8 72.12 6.97 -3 -6 7 451.25 20.01 -3 6 7 457.65 20.43 -3 6 7 486.57 16.76 3 -6 -7 463.93 17.15 3 -6 -7 470.81 17.25 3 6 -7 483.55 21.91 -3 -6 7 452.92 20.60 -3 -6 6 107.96 9.60 -3 6 6 100.54 7.83 3 6 -6 103.06 10.32 -3 -6 6 110.24 10.52 3 -6 -6 115.53 8.89 -3 6 6 102.10 9.89 3 -6 -6 102.97 8.39 -3 6 5 219.42 11.60 3 -6 -5 208.69 11.55 3 6 -5 194.42 13.85 -3 -6 5 227.90 13.23 3 -6 -5 222.52 12.33 -3 -6 5 198.13 13.77 -3 6 5 216.51 13.60 -3 -6 4 3.99 3.50 -3 -6 4 2.99 4.14 3 6 -4 3.53 3.87 -3 6 4 1.07 2.45 3 -6 -4 5.64 3.20 3 -6 -4 2.32 2.56 -3 6 4 4.41 4.68 3 -6 -3 251.13 9.94 3 -6 -3 258.98 13.31 -3 -6 3 253.64 12.99 -3 -6 3 231.49 14.44 -3 6 3 259.73 14.83 3 6 -3 254.73 15.32 -3 6 2 1.09 2.47 3 -6 -2 4.80 3.06 -3 -6 2 3.73 2.53 3 6 -2 4.19 3.82 3 6 -2 4.82 2.80 3 -6 -2 6.93 2.68 -3 -6 2 -0.41 4.57 -3 6 2 4.10 3.79 -3 6 1 25.00 4.35 3 -6 -1 26.84 5.15 3 6 -1 30.47 4.79 -3 -6 1 23.21 4.38 3 6 -1 17.86 5.37 3 -6 -1 17.50 3.15 3 -6 0 396.80 15.04 3 6 0 415.30 15.64 3 6 0 374.47 17.86 3 -6 0 365.84 16.43 -3 6 0 406.69 15.58 -3 6 -1 336.02 14.54 3 6 1 323.87 17.34 3 -6 1 337.19 16.10 3 -6 1 320.86 14.14 3 6 1 350.86 14.57 3 6 2 369.30 15.20 -3 6 -2 361.15 15.65 3 -6 2 347.65 15.25 3 -6 2 347.97 16.66 3 6 2 349.06 18.18 3 -6 3 1.49 3.67 -3 6 -3 7.09 3.90 3 6 3 1.40 2.76 3 -6 3 3.89 3.15 3 6 3 1.04 3.88 3 6 4 254.14 15.72 3 -6 4 234.56 13.66 3 6 4 258.19 13.21 -3 6 -4 262.63 14.13 3 -6 4 230.41 14.40 3 6 5 197.48 14.00 3 -6 5 196.52 12.98 -3 6 -5 199.62 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5.22 -8 -5 16 8.87 3.04 -8 5 16 12.81 3.11 -8 -5 16 13.34 2.99 -8 5 16 14.19 3.39 8 5 -15 543.49 26.83 8 -5 -15 507.25 26.08 -8 -5 15 534.89 14.83 -8 5 15 547.16 15.61 -8 -5 15 535.97 28.35 -8 5 15 558.50 15.55 -8 -5 15 536.94 14.28 -8 -5 14 11.73 7.15 8 5 -14 -0.65 2.85 8 -5 -14 5.33 4.93 8 5 -13 1.64 3.52 8 -5 -13 6.01 3.98 8 5 -12 22.13 5.58 8 -5 -12 34.59 7.03 -8 -5 11 -0.28 3.00 8 5 -11 -2.52 4.41 8 -5 -11 3.07 3.58 -8 -5 10 31.09 5.98 8 5 -10 27.89 6.14 8 -5 -10 28.80 6.51 -8 -5 9 3.86 4.67 8 5 -9 3.13 3.28 8 -5 -9 2.26 3.69 -8 5 9 3.31 2.86 -8 -5 8 6.72 3.75 8 5 -8 9.32 4.57 8 -5 -8 11.22 5.01 -8 5 8 4.10 3.25 -8 -5 7 1401.64 35.85 -8 5 7 1347.56 34.35 8 5 -7 1321.25 36.87 8 5 -6 170.65 13.61 8 -5 -6 170.42 13.78 -8 5 6 179.74 12.81 8 5 -6 160.69 13.14 8 -5 -5 52.90 8.09 8 5 -5 60.46 8.46 -8 5 5 64.42 7.99 8 -5 -4 40.38 7.49 -8 5 4 37.85 6.41 8 5 -4 35.78 7.18 -8 5 3 67.61 8.14 8 -5 -3 68.52 9.29 8 5 -3 58.26 8.35 8 -5 -2 66.46 9.13 8 5 -2 58.27 8.52 8 5 -1 27.62 6.29 8 -5 -1 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4 0.91 3.88 8 -6 5 254.81 17.87 8 -6 5 262.62 18.80 8 6 5 264.06 18.77 -8 6 -5 275.59 15.20 -8 6 -6 13.36 4.26 8 -6 6 11.66 4.59 8 6 6 18.40 5.73 8 -6 6 25.42 6.80 -8 6 -7 2.69 3.31 8 -6 7 5.74 4.37 8 -6 7 2.86 3.82 8 6 7 -0.88 4.67 -8 6 -8 1.32 3.74 8 6 8 4.63 5.35 8 -6 8 6.52 4.70 8 -6 8 -1.61 3.75 -8 6 -9 50.33 8.28 8 -6 9 54.04 9.08 8 -6 9 60.98 10.03 8 6 9 47.81 9.73 -8 6 -10 86.78 10.64 8 -6 10 92.59 11.95 8 -6 10 84.16 11.76 8 6 10 88.05 11.92 8 6 11 13.27 6.26 -8 6 -11 9.32 4.47 8 -6 11 7.81 3.28 8 -6 11 18.15 6.75 -8 6 -12 17.45 5.80 -8 6 -12 31.17 3.73 8 6 12 30.62 7.84 8 -6 12 33.66 4.40 8 -6 12 22.11 5.42 8 -6 12 33.82 4.19 8 6 12 28.98 3.85 8 6 12 30.97 3.79 8 -6 12 26.87 3.53 -8 6 -13 64.44 10.35 -8 6 -13 62.63 5.01 8 6 13 71.55 5.72 8 6 13 65.78 10.80 8 6 13 73.76 5.56 8 6 13 66.90 5.11 8 6 13 66.92 10.29 8 -6 13 71.22 6.19 8 -6 13 67.13 10.89 8 6 13 66.43 5.43 8 -6 13 69.32 5.56 8 6 13 55.43 5.01 8 -6 13 68.46 5.43 -8 6 -14 1.94 5.97 -8 6 -14 4.55 1.90 8 -6 14 7.52 2.03 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1.97 -8 -7 28 1.18 2.20 -8 -7 27 57.67 4.63 -8 -7 27 50.78 4.36 -8 7 27 59.43 4.64 -8 7 27 54.77 4.62 -8 7 27 56.85 4.87 -8 -7 27 42.30 4.42 -8 7 27 50.63 4.43 -8 -7 26 -4.17 2.55 -8 7 26 7.78 2.98 -8 -7 26 -0.50 2.45 -8 7 26 -1.45 2.67 -8 -7 26 -1.48 2.54 -8 7 26 2.81 2.60 -8 7 26 -0.23 2.30 -8 7 26 1.32 2.42 -8 -7 25 2.61 2.49 -8 7 25 3.16 2.70 -8 -7 25 5.25 2.72 -8 -7 25 3.86 2.85 -8 7 25 0.80 2.31 -8 7 25 5.36 2.72 -8 7 25 -0.84 2.42 -8 7 25 0.84 2.66 -8 -7 24 67.67 5.85 -8 7 24 72.23 5.52 -8 7 24 66.76 5.36 -8 -7 24 73.70 6.31 -8 7 24 76.07 6.23 -8 -7 24 66.83 5.12 -8 7 24 69.04 5.65 -8 7 24 87.79 6.14 -8 -7 23 40.30 4.84 -8 7 23 56.22 5.16 -8 7 23 42.17 4.64 -8 -7 23 50.54 4.63 -8 -7 23 37.26 4.72 -8 7 23 40.45 4.59 -8 7 23 47.64 5.31 -8 7 23 54.64 5.23 -8 -7 22 36.45 4.76 -8 7 22 40.79 4.72 -8 7 22 35.27 4.24 -8 -7 22 40.94 5.14 -8 7 22 41.97 4.91 -8 -7 22 38.56 4.36 -8 7 22 30.99 4.33 -8 7 22 42.04 5.11 -8 -7 22 35.36 4.50 -8 7 21 45.79 4.78 -8 7 21 55.70 5.24 -8 -7 21 45.08 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5.24 -8 -8 22 8.45 3.10 -8 8 22 3.79 2.80 -8 -8 22 4.00 2.60 -8 8 22 6.95 2.61 -8 -8 22 7.56 2.54 -8 8 22 6.59 2.70 -8 8 22 5.39 2.91 -8 -8 22 2.70 2.71 -8 -8 21 7.49 3.49 -8 -8 21 0.44 2.38 -8 8 21 5.57 2.06 -8 -8 21 4.18 2.38 -8 8 21 1.87 2.59 -8 8 21 3.19 2.61 -8 -8 21 -0.45 2.90 -8 -8 20 74.24 6.50 -8 8 20 75.93 5.07 -8 8 20 68.28 5.65 -8 -8 20 58.58 5.70 -8 8 20 73.31 6.13 -8 -8 20 77.96 5.56 -8 -8 20 73.42 6.13 -8 -8 19 49.38 5.28 -8 8 19 55.39 4.71 -8 8 19 50.56 5.05 -8 -8 19 45.36 5.06 -8 -8 19 42.55 4.47 -8 8 19 49.74 5.25 -8 -8 19 51.44 5.24 -8 -8 18 39.59 5.07 -8 -8 18 41.31 4.54 -8 8 18 49.71 4.63 -8 -8 18 37.85 4.62 -8 8 18 38.01 4.75 -8 -8 18 54.29 6.00 -8 -8 17 128.92 8.28 -8 -8 17 164.55 8.50 -8 -8 17 141.04 8.41 -8 8 17 146.48 8.53 -8 8 17 149.97 7.58 -8 -8 17 137.07 8.30 -8 8 16 2.97 2.15 -8 -8 16 1.51 2.44 -8 8 16 3.20 2.29 -8 -8 16 2.75 2.42 -8 8 16 7.52 2.88 -8 -8 16 2.28 2.78 -8 -8 16 11.22 3.59 -8 8 15 6.74 2.28 -8 -8 15 7.50 2.70 -8 -8 15 8.64 2.64 8 8 -15 2.57 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5 2.86 2.91 13 6 5 1.54 4.94 13 -6 6 143.97 7.46 13 -6 6 130.50 15.81 13 -6 6 148.78 17.07 -13 6 -6 140.72 6.81 13 6 6 152.14 16.42 13 6 6 133.39 7.81 13 6 6 144.53 8.22 13 -6 6 146.10 7.31 -13 6 -6 150.44 8.27 13 6 6 152.64 8.21 13 6 6 125.33 7.75 -13 6 -6 143.92 6.76 -13 6 -7 87.47 6.08 13 -6 7 85.07 5.86 13 6 7 85.77 13.07 13 6 7 92.87 6.47 13 6 7 88.08 6.59 13 -6 7 67.74 12.16 13 -6 7 89.54 5.87 13 -6 7 95.41 14.05 -13 6 -7 85.53 6.50 13 6 7 88.59 6.54 13 6 7 76.60 6.21 -13 6 -8 103.51 6.58 13 -6 8 93.59 6.22 13 6 8 87.72 13.08 13 6 8 85.78 6.71 13 6 8 85.06 6.32 13 -6 8 84.50 12.80 13 -6 8 89.94 6.02 13 -6 8 81.26 12.57 -13 6 -8 81.41 6.40 13 6 8 93.28 6.69 13 6 8 83.48 6.45 -13 6 -9 69.65 5.58 13 -6 9 62.15 5.08 13 6 9 56.96 10.00 13 6 9 72.45 5.75 13 -6 9 53.15 10.56 13 -6 9 75.55 5.58 13 -6 9 81.44 12.99 -13 6 -9 79.02 6.21 13 6 9 69.03 5.92 13 6 9 72.67 6.25 13 6 9 68.45 5.84 13 6 10 0.96 2.67 -13 6 -10 1.18 2.19 13 -6 10 -0.44 2.23 13 6 10 -0.62 3.28 13 6 10 0.95 2.11 13 6 10 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2.91 -13 -7 13 10.83 2.98 -13 7 13 14.23 3.63 -13 -7 12 56.10 4.91 -13 7 12 53.42 5.07 -13 -7 12 55.41 5.60 -13 7 12 50.83 4.74 -13 7 12 52.62 5.57 -13 7 12 51.83 4.85 -13 7 11 4.91 2.24 -13 -7 11 -0.90 2.22 -13 -7 11 4.06 2.60 -13 7 11 -3.15 2.51 -13 7 11 0.17 2.26 -13 7 11 0.41 2.34 -13 7 10 25.36 3.70 -13 -7 10 21.04 3.81 -13 -7 10 21.72 3.81 -13 7 10 20.49 3.02 -13 7 10 24.77 3.75 -13 -7 9 120.34 7.15 -13 7 9 121.01 7.20 -13 -7 9 102.60 7.20 13 -7 -9 106.77 14.90 -13 7 9 110.76 6.78 -13 7 8 4.49 2.66 -13 -7 8 5.26 2.46 -13 -7 8 7.94 3.25 -13 7 8 4.90 2.55 -13 7 7 2.17 2.11 13 7 -7 2.37 1.96 13 -7 -7 -0.65 1.68 13 7 -7 12.00 6.99 -13 -7 7 3.89 2.43 -13 -7 7 3.19 2.19 -13 7 7 4.63 2.35 13 -7 -7 3.20 4.24 -13 -7 7 1.94 2.74 -13 7 6 6.12 2.73 -13 -7 6 -1.56 5.05 13 -7 -6 3.89 1.94 13 7 -6 12.60 5.51 -13 -7 6 2.65 2.20 -13 -7 6 1.05 2.18 -13 7 6 5.00 2.67 13 -7 -6 13.21 5.71 13 7 -6 3.34 2.32 -13 -7 6 2.45 2.93 -13 7 5 23.62 3.63 -13 -7 5 12.81 6.11 13 -7 -5 17.49 2.97 13 7 -5 14.48 6.13 -13 -7 5 23.79 3.69 -13 -7 5 19.91 3.59 -13 7 5 22.19 3.63 13 7 -5 18.88 3.30 13 -7 -5 15.46 6.55 -13 -7 5 16.16 3.74 13 -7 -4 75.41 5.20 -13 -7 4 96.53 6.86 -13 7 4 75.09 5.91 13 7 -4 64.16 11.32 -13 -7 4 66.74 5.68 13 7 -4 67.83 5.68 -13 7 4 59.99 9.66 13 -7 -4 70.89 11.71 -13 -7 4 72.99 6.24 -13 7 4 69.60 5.32 -13 7 3 1.46 1.93 13 -7 -3 0.23 2.06 -13 -7 3 2.96 2.08 13 7 -3 -1.02 4.85 -13 7 3 0.90 2.05 -13 7 3 7.51 4.49 13 7 -3 -1.72 2.21 -13 -7 3 -0.56 2.72 -13 7 2 1.19 2.10 13 -7 -2 3.82 2.06 -13 -7 2 0.35 1.86 13 7 -2 6.16 5.66 -13 7 2 2.97 2.05 -13 7 2 8.64 5.44 13 -7 -2 -2.53 3.67 13 7 -2 3.28 2.04 -13 -7 2 4.57 2.91 -13 7 1 -0.93 2.33 13 -7 -1 -1.38 2.23 -13 7 1 2.61 2.35 13 7 -1 -6.21 5.75 -13 7 1 10.91 5.89 13 7 -1 -1.83 2.64 13 -7 -1 -2.72 6.12 -13 7 1 -1.93 1.87 -13 -7 1 1.28 2.88 13 -7 0 100.27 6.19 -13 7 0 102.90 6.50 13 7 0 87.90 6.49 -13 7 0 100.78 12.71 13 7 0 69.39 11.46 13 -7 0 89.73 13.57 -13 7 0 103.06 6.44 -13 -7 0 108.88 7.50 -13 7 0 100.84 6.22 13 -7 1 92.49 5.98 -13 7 -1 94.96 6.22 13 7 1 98.25 6.95 -13 7 -1 100.84 12.93 13 7 1 95.19 6.72 13 7 1 102.67 13.89 13 -7 1 76.26 12.25 -13 7 -1 106.61 6.64 13 7 1 90.67 6.38 -13 -7 -1 110.52 7.52 -13 7 -1 94.80 5.97 -13 7 -2 19.50 3.16 13 -7 2 18.10 3.00 -13 7 -2 21.26 3.19 -13 7 -2 27.80 7.86 13 7 2 20.76 3.81 13 7 2 18.75 3.76 13 -7 2 40.85 8.87 13 -7 2 17.21 7.18 13 7 2 18.32 5.48 -13 7 -2 19.13 3.16 13 7 2 24.18 3.65 -13 7 -3 33.79 3.79 13 -7 3 36.33 3.96 13 7 3 35.17 4.75 -13 7 -3 36.28 3.85 13 7 3 33.73 4.34 13 -7 3 48.48 10.23 13 -7 3 24.45 7.92 13 7 3 42.44 9.57 13 7 3 43.67 4.80 -13 7 -3 36.75 4.35 -13 7 -4 10.34 2.37 13 -7 4 13.68 3.01 -13 7 -4 13.81 2.81 13 7 4 11.04 2.96 13 7 4 15.20 3.50 13 -7 4 12.43 5.71 13 -7 4 9.95 5.78 13 7 4 10.00 6.89 -13 7 -4 12.33 3.19 13 7 4 7.78 2.74 13 -7 5 220.15 9.37 13 -7 5 189.91 19.21 13 -7 5 202.93 20.25 -13 7 -5 223.14 8.77 13 7 5 216.30 20.27 13 7 5 217.68 10.06 13 7 5 233.36 10.56 -13 7 -5 247.31 10.33 13 7 5 219.24 10.10 13 -7 5 224.81 8.88 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28.87 3.89 13 -7 13 24.14 3.34 13 7 13 22.64 3.24 13 7 13 27.64 4.05 13 -7 13 23.18 3.57 -13 7 -13 27.73 4.15 13 7 13 25.80 4.04 -13 7 -14 13.61 2.76 13 -7 14 16.33 3.07 13 7 14 18.63 3.34 13 7 14 13.44 3.37 13 -7 14 15.19 3.10 -13 7 -14 8.06 2.76 13 7 14 15.14 3.68 -13 7 -15 1.31 3.63 13 -7 15 1.70 2.02 13 7 15 2.33 2.04 13 7 15 3.26 2.51 13 -7 15 -1.35 1.81 13 -7 15 1.40 2.12 -13 7 -15 0.46 2.53 13 7 15 -0.42 2.65 -13 7 -16 17.50 3.09 13 -7 16 15.09 2.76 13 7 16 7.56 2.59 13 7 16 12.44 3.04 13 -7 16 12.59 2.75 13 -7 16 14.97 3.28 -13 7 -16 12.52 3.35 13 7 16 15.32 3.52 -13 7 -17 8.93 2.52 13 -7 17 8.52 2.05 13 7 17 5.30 2.34 13 7 17 9.44 2.55 13 -7 17 10.82 2.33 13 -7 17 9.42 2.72 -13 7 -17 6.34 2.85 13 7 17 6.71 3.02 -13 7 -18 7.35 2.36 13 7 18 9.27 2.62 13 7 18 6.15 2.13 13 -7 18 9.19 2.41 13 -7 18 8.31 2.70 -13 7 -18 10.61 2.94 13 7 18 7.02 2.78 -13 7 -19 32.78 3.29 13 7 19 39.42 4.11 13 -7 19 37.87 3.45 13 -7 19 29.50 3.69 -13 7 -19 29.10 3.74 13 7 19 26.76 3.68 13 7 20 5.01 2.04 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723.80 16.90 -14 5 -3 705.92 15.12 14 5 3 670.33 17.00 -14 5 -4 3.13 1.89 14 5 4 5.32 2.55 14 5 4 -3.20 6.26 14 -5 4 2.48 2.08 -14 5 -4 2.81 2.10 14 5 4 5.27 2.66 14 5 4 3.18 2.54 14 -5 4 1.93 4.03 -14 5 -4 6.28 3.05 14 5 4 4.86 2.02 -14 5 -5 3.63 1.72 14 5 5 7.69 2.73 14 -5 5 6.26 2.43 14 5 5 6.64 4.97 -14 5 -5 5.22 1.78 14 5 5 11.01 3.14 14 5 5 6.08 2.18 14 -5 5 8.41 5.71 14 -5 5 2.79 1.76 -14 5 -5 6.08 2.89 14 5 5 3.43 2.40 14 -5 6 187.31 8.36 14 -5 6 159.71 17.42 -14 5 -6 187.48 8.04 14 5 6 179.80 8.83 14 5 6 205.44 9.67 14 5 6 192.28 18.02 14 -5 6 185.35 8.38 -14 5 -6 200.18 9.38 14 5 6 198.84 9.24 14 5 6 180.28 9.19 14 5 7 20.14 3.75 14 -5 7 21.37 3.38 14 5 7 21.36 6.88 -14 5 -7 21.89 3.25 14 5 7 17.46 3.54 14 5 7 18.70 3.35 14 -5 7 17.01 7.29 14 -5 7 20.96 3.35 -14 5 -7 24.16 3.89 14 5 7 25.05 3.87 14 5 8 16.62 3.66 14 -5 8 17.07 3.25 14 5 8 28.96 8.11 14 5 8 15.01 3.19 14 -5 8 14.82 6.79 14 -5 8 14.00 3.02 -14 5 -8 10.98 3.13 14 5 8 15.65 3.17 14 5 8 10.80 3.22 14 5 9 40.22 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3.02 -24 3 -1 51.49 3.42 24 3 1 48.61 3.43 24 -3 1 51.29 3.49 -24 3 -1 38.77 3.30 24 -3 2 3.39 1.35 -24 3 -2 3.47 1.59 24 3 2 2.18 1.48 24 -3 2 1.73 1.31 -24 3 -2 3.15 1.71 24 -3 3 0.56 1.29 -24 3 -3 2.06 1.24 24 3 3 2.07 1.48 24 -3 3 1.54 1.36 -24 3 -3 -0.45 1.59 24 -3 4 7.76 1.76 -24 3 -4 5.68 1.41 24 3 4 5.24 1.58 24 -3 4 6.10 1.55 -24 3 -4 7.48 1.82 24 -3 5 11.86 1.87 -24 3 -5 10.57 1.46 24 3 5 12.80 1.83 24 -3 5 12.45 1.69 -24 3 -5 12.42 2.15 24 -3 6 6.34 1.52 24 -3 6 7.30 1.33 -24 3 -6 5.38 1.67 24 -3 7 24.47 2.30 -24 3 -7 24.37 2.39 24 -3 8 1.50 1.14 -24 3 -8 -0.76 1.22 24 -3 9 7.09 1.33 -24 3 -9 6.54 1.36 24 -3 10 -0.22 0.94 -24 -4 11 6.59 1.31 -24 4 11 5.88 1.28 -24 -4 10 -0.65 1.03 -24 4 10 -0.60 1.13 -24 -4 9 -0.30 1.04 -24 4 9 -2.07 1.30 24 -4 -9 -1.41 0.97 -24 4 9 0.29 1.00 -24 -4 8 1.69 1.10 -24 4 8 0.86 1.25 24 -4 -8 3.71 1.21 -24 4 8 -0.12 1.17 -24 -4 7 0.35 1.05 -24 4 7 1.65 1.32 24 -4 -7 2.19 1.23 -24 4 7 2.41 1.32 -24 -4 6 2.97 1.21 -24 4 6 1.58 1.45 24 -4 -6 -0.68 1.34 -24 4 6 0.86 1.25 -24 -4 5 3.61 1.17 -24 4 5 7.27 1.75 24 -4 -5 6.52 1.65 -24 4 5 3.56 1.58 -24 4 4 20.88 2.45 24 -4 -4 23.01 2.33 -24 4 4 17.45 2.23 -24 4 3 1.90 1.54 24 4 -3 -0.62 1.34 24 -4 -3 4.79 1.68 -24 4 3 6.11 1.75 -24 4 2 37.13 3.00 24 4 -2 33.50 2.83 24 -4 -2 37.17 2.88 24 -4 -1 1.87 1.09 -24 4 1 3.37 1.64 24 4 -1 1.08 1.43 24 -4 -1 2.65 1.32 24 -4 0 1.45 1.16 -24 4 0 1.10 1.28 24 -4 0 5.03 1.43 24 -4 1 0.02 1.14 -24 4 -1 0.90 1.30 24 -4 1 1.57 1.24 -24 4 -1 0.66 1.37 24 -4 2 6.68 1.51 -24 4 -2 7.61 1.63 24 -4 2 7.50 1.63 -24 4 -2 7.48 1.73 24 -4 3 0.52 1.16 -24 4 -3 0.37 1.13 24 -4 3 -0.80 1.15 -24 4 -3 -2.18 1.49 24 -4 4 3.21 1.30 -24 4 -4 4.03 1.29 24 -4 4 3.84 1.21 -24 4 -4 3.33 1.43 24 -4 5 30.72 2.38 24 -4 5 25.01 1.94 -24 4 -5 24.20 2.35 24 -4 6 0.51 1.14 -24 4 -6 1.03 1.37 24 -4 7 11.23 1.53 -24 4 -7 11.61 1.65 24 -4 8 7.14 1.28 -24 4 -8 9.04 1.51 -24 5 8 0.70 1.04 -24 5 8 1.21 1.01 -24 5 7 9.11 1.54 24 -5 -7 9.16 1.38 -24 5 7 9.40 1.57 -24 5 6 4.47 1.36 24 -5 -6 2.17 1.12 -24 5 6 2.60 1.30 -24 5 5 4.12 1.39 24 -5 -5 2.17 1.10 -24 5 5 1.35 1.15 -24 5 4 12.46 1.81 24 -5 -4 11.40 1.64 -24 5 4 9.80 1.79 -24 5 3 -0.07 1.22 24 -5 -3 -0.02 1.12 -24 5 3 -1.71 1.39 -24 5 2 2.48 1.18 24 -5 -2 1.98 1.09 -24 5 2 4.43 1.49 -24 5 1 -1.76 1.21 24 -5 -1 2.96 1.28 -24 5 0 0.49 1.23 24 -5 0 0.17 1.09 -24 5 -1 17.85 1.96 24 -5 1 16.88 1.81 -24 5 -2 1.36 1.07 24 -5 2 2.69 1.05 24 -5 3 3.10 1.09 -24 5 -3 3.09 1.14 24 -5 3 1.68 0.91 -24 5 -3 3.39 1.18 24 -5 4 -2.35 1.01 -24 5 -4 0.52 0.98 -24 5 -5 15.13 1.68 -24 6 3 -0.74 0.89 24 -6 -3 3.91 1.02 -24 6 2 24.77 1.99 24 -6 -2 29.26 1.98 -24 6 1 0.36 0.90 -25 0 11 1.30 0.95 -25 0 10 4.79 1.25 -25 0 9 -0.74 1.17 -25 0 8 54.31 3.17 25 0 -8 47.73 2.65 -25 0 7 0.04 1.19 25 0 -7 -1.69 1.15 -25 0 6 31.68 2.56 25 0 -6 30.70 2.52 -25 0 5 0.91 1.21 25 0 -5 -0.34 1.16 -25 0 4 9.81 1.70 25 0 -4 12.92 1.93 -25 0 3 -0.03 1.12 25 0 -3 -0.12 1.25 -25 0 2 3.36 1.27 25 0 -2 4.70 1.50 -25 0 1 -1.69 1.18 25 0 -1 0.31 1.23 25 0 0 0.53 1.01 25 0 0 1.24 1.26 25 0 1 2.30 1.17 25 0 1 0.33 1.18 25 0 2 33.58 2.58 25 0 2 27.87 2.22 25 0 3 0.39 1.07 25 0 3 1.67 1.18 25 0 4 -0.78 1.05 25 0 4 0.06 0.99 25 0 5 -2.39 1.22 25 0 5 -0.19 0.92 25 0 6 8.73 1.46 25 0 7 0.13 0.92 -25 1 11 10.01 1.47 -25 -1 10 1.56 0.97 -25 1 10 2.54 1.19 -25 -1 9 0.83 1.02 -25 1 9 0.63 1.07 -25 -1 8 0.19 1.12 -25 1 8 3.65 1.29 25 1 -8 1.35 0.99 25 -1 -8 1.93 1.01 -25 -1 7 0.17 1.13 -25 1 7 0.03 1.15 25 1 -7 0.68 0.98 25 -1 -7 -0.01 1.00 -25 -1 6 0.07 1.14 -25 1 6 0.32 1.18 25 1 -6 3.83 1.25 25 -1 -6 1.57 1.17 -25 -1 5 35.63 2.56 -25 1 5 38.63 2.77 25 1 -5 34.00 2.58 25 -1 -5 33.55 2.67 -25 -1 4 2.67 1.31 -25 1 4 4.16 1.51 25 1 -4 3.48 1.41 25 -1 -4 4.27 1.52 -25 -1 3 84.49 3.65 -25 1 3 91.16 4.08 25 1 -3 89.01 4.09 25 -1 -3 93.03 4.19 -25 -1 2 0.25 0.95 -25 1 2 1.14 1.29 25 1 -2 -2.37 1.42 25 -1 -2 -2.40 1.32 -25 1 1 16.58 1.90 25 1 -1 18.46 2.14 25 -1 -1 18.95 2.16 25 -1 0 5.49 1.27 -25 1 0 4.42 1.27 25 1 0 6.66 1.53 25 -1 0 4.92 1.55 25 -1 1 -1.18 1.08 25 1 1 -0.26 1.20 25 -1 1 -0.76 1.28 25 -1 2 2.49 1.11 25 1 2 3.32 1.31 25 -1 2 6.16 1.38 25 -1 3 3.96 1.23 25 1 3 5.57 1.41 25 -1 3 4.58 1.28 25 -1 4 1.80 1.15 25 1 4 3.44 1.14 25 -1 4 -0.06 0.93 25 -1 5 7.53 1.37 25 1 5 8.41 1.40 25 -1 6 0.98 0.96 -25 2 10 1.74 1.01 -25 -2 9 10.87 1.50 -25 2 9 10.00 1.51 -25 -2 8 0.58 0.96 -25 2 8 0.15 1.04 -25 -2 7 0.64 0.96 -25 2 7 1.28 1.18 25 -2 -7 0.66 1.00 -25 -2 6 10.05 1.47 -25 2 6 10.45 1.72 25 2 -6 6.71 1.33 25 -2 -6 8.12 1.45 -25 -2 5 0.69 0.95 -25 2 5 1.01 1.19 25 2 -5 0.25 1.05 25 -2 -5 0.76 1.16 -25 2 4 3.82 1.46 25 2 -4 -0.05 1.14 25 -2 -4 1.69 1.29 -25 2 3 15.40 1.92 25 2 -3 16.85 1.98 25 -2 -3 17.00 2.03 -25 2 2 8.49 1.65 25 2 -2 4.98 1.50 25 -2 -2 6.86 1.52 -25 2 1 0.45 1.21 25 2 -1 0.91 1.14 25 -2 -1 1.33 1.33 -25 2 0 1.73 1.19 25 2 0 -1.30 1.24 25 -2 0 1.16 1.16 25 2 1 7.72 1.51 25 -2 1 8.38 1.54 25 -2 2 2.95 0.99 25 2 2 5.44 1.49 25 -2 2 2.95 1.11 25 -2 3 3.09 1.15 25 2 3 2.52 1.13 25 -2 3 4.48 1.31 25 -2 4 1.06 1.02 25 2 4 0.14 0.88 25 -2 5 0.10 0.99 -25 3 8 -1.31 0.94 -25 3 7 9.11 1.55 -25 3 6 6.42 1.43 25 -3 -6 7.43 1.34 -25 3 5 15.37 1.85 25 -3 -5 13.35 1.66 -25 3 4 0.24 1.09 25 -3 -4 0.71 1.06 -25 3 3 1.24 1.18 25 3 -3 -0.51 1.07 25 -3 -3 1.71 1.07 -25 3 2 2.66 1.23 25 3 -2 1.09 1.04 25 -3 -2 1.17 1.10 -25 3 1 21.37 1.97 25 3 -1 22.26 2.06 25 -3 -1 20.17 2.01 -25 3 0 5.35 1.26 25 -3 0 6.04 1.31 25 -3 1 2.03 1.09 25 -3 2 5.66 1.17 25 -4 -3 8.18 1.30 25 -4 -2 55.32 2.69 25 -4 -1 0.62 0.96 0 0 0 0.00 0.00 TITL 236ajhjh18 in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 1.54184 20.510786 12.915148 29.557707 90.0000 93.0904 90.0000 ZERR 8.00 0.000218 0.000136 0.000304 0.0000 0.0010 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O Al K UNIT 320.00 320.00 32.00 56.00 8.00 8.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 78328