data_zjp-zww-7shx _audit_creation_date 2023-01-12 _audit_creation_method ; Olex2 1.5 (compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439) ; _shelx_SHELXL_version_number '2018/3' _audit_contact_author_address ? _audit_contact_author_email ? _audit_contact_author_name '' _audit_contact_author_phone ? _publ_contact_author_id_orcid ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C37 H33 B N2' _chemical_formula_sum 'C37 H33 B N2' _chemical_formula_weight 516.46 _chemical_melting_point ? _chemical_oxdiff_formula 'C H O N B' loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'B' 'B' 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _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. ; _space_group_crystal_system 'monoclinic' _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/n 1' _space_group_name_Hall '-P 2yn' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 7.97733(6) _cell_length_b 14.84806(11) _cell_length_c 23.76860(16) _cell_angle_alpha 90 _cell_angle_beta 92.2615(7) _cell_angle_gamma 90 _cell_volume 2813.15(3) _cell_formula_units_Z 4 _cell_measurement_reflns_used 10395 _cell_measurement_temperature 99.98(11) _cell_measurement_theta_max 77.4630 _cell_measurement_theta_min 2.9300 _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 0.531 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.48010 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour ? _exptl_crystal_density_diffrn 1.219 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description block _exptl_crystal_F_000 1096 _exptl_crystal_size_max 0.02 _exptl_crystal_size_mid 0.014 _exptl_crystal_size_min 0.01 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0167 _diffrn_reflns_av_unetI/netI 0.0179 _diffrn_reflns_Laue_measured_fraction_full 0.990 _diffrn_reflns_Laue_measured_fraction_max 0.955 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_number 14611 _diffrn_reflns_point_group_measured_fraction_full 0.990 _diffrn_reflns_point_group_measured_fraction_max 0.955 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 77.669 _diffrn_reflns_theta_min 4.768 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 99.98(11) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.990 _diffrn_measured_fraction_theta_max 0.955 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -35.00 -4.00 0.50 0.50 -- -0.90 82.00 -90.00 62 2 \w 2.00 33.00 0.50 0.50 -- -0.90 82.00 -90.00 62 3 \w 27.00 80.00 0.50 0.50 -- 0.90 38.00 0.00 106 4 \w -33.00 34.00 0.50 0.50 -- 0.90 82.00 0.00 134 5 \w -13.00 13.00 0.50 0.50 -- 0.90 38.00 0.00 52 6 \w 32.00 58.00 0.50 0.50 -- 105.10 -38.00 90.00 52 7 \w 82.00 193.00 0.50 0.50 -- 105.10 38.00-120.00 222 8 \w 17.00 71.00 0.50 0.50 -- 105.10 -77.00 -30.00 108 9 \w 21.00 132.00 0.50 0.50 -- 105.10 -82.00 -60.00 222 10 \w 83.00 109.00 0.50 0.50 -- 105.10 -38.00 90.00 52 11 \w 83.00 134.00 0.50 0.50 -- 105.10 -82.00 30.00 102 12 \w 102.00 127.00 0.50 0.50 -- 105.10 -77.00 -30.00 50 13 \w 52.00 126.00 0.50 0.50 -- 105.10 -57.00-180.00 148 14 \w 115.00 182.00 0.50 0.50 -- 105.10 82.00 -90.00 134 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB AFC12 (RINC): Kappa single' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0688075000 _diffrn_orient_matrix_UB_12 0.0636070000 _diffrn_orient_matrix_UB_13 0.0447635000 _diffrn_orient_matrix_UB_21 0.0424027000 _diffrn_orient_matrix_UB_22 0.0817300000 _diffrn_orient_matrix_UB_23 -0.0367481000 _diffrn_orient_matrix_UB_31 -0.1756070000 _diffrn_orient_matrix_UB_32 -0.0053728000 _diffrn_orient_matrix_UB_33 -0.0292506000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_source 'Rotating-anode X-ray tube (dual wavelength)' _diffrn_source_type 'Rigaku (Cu) X-ray DW Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 5408 _reflns_number_total 5722 _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. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)' _computing_data_collection 'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)' _computing_data_reduction 'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _refine_diff_density_max 0.274 _refine_diff_density_min -0.322 _refine_diff_density_rms 0.037 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 367 _refine_ls_number_reflns 5722 _refine_ls_number_restraints 1032 _refine_ls_R_factor_all 0.0448 _refine_ls_R_factor_gt 0.0428 _refine_ls_restrained_S_all 1.027 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0496P)^2^+1.2916P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1080 _refine_ls_wR_factor_ref 0.1093 _refine_special_details ? _olex2_refinement_description ; 1. Uiso/Uaniso restraints and constraints C003 \\sim C004 \\sim C005 \\sim C006 \\sim C007 \\sim C008 \\sim C009 \\sim C00A \\sim C00B \\sim C00C \\sim C00D \\sim C00E \\sim C00F \\sim C00G \\sim C00H \\sim C00I \\sim C00J \\sim C00K \\sim C00L \\sim C00M \\sim C00N \\sim C00O \\sim C00P \\sim C00Q \\sim C00R \\sim C00S \\sim C00T \\sim C00U \\sim C00V \\sim C00W \\sim C00X \\sim C00Y \\sim C00Z \\sim C010 \\sim C1 \\sim C2 \\sim C3: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A Uanis(C3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 2.a Aromatic/amide H refined with riding coordinates: C007(H007), C00A(H00A), C00C(H00C), C00G(H00G), C00H(H00H), C00K(H00K), C00L(H00L), C00N(H00N), C00Q(H00Q), C00R(H00R), C00S(H00S), C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z) 2.b Idealised Me refined as rotating group: C00J(H00B,H00D,H00E), C00T(H00F,H00I,H00J), C00V(H00M,H00O,H00P), C1(H1A,H1B, H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary ? 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 N001 N 0.41070(12) 0.60404(7) 0.68735(4) 0.0199(2) Uani 1 1 d . . . . . N002 N 0.63186(12) 0.33694(7) 0.77906(4) 0.0211(2) Uani 1 1 d . . . . . C003 C 0.28050(14) 0.40536(7) 0.86826(5) 0.0193(2) Uani 1 1 d . U . . . C004 C 0.40452(14) 0.41465(7) 0.82640(5) 0.0181(2) Uani 1 1 d . U . . . C005 C 0.31555(15) 0.35327(8) 0.91675(5) 0.0220(2) Uani 1 1 d . U . . . C006 C 0.11676(14) 0.44773(8) 0.86174(5) 0.0200(2) Uani 1 1 d . U . . . C007 C 0.20361(16) 0.35477(9) 0.96240(5) 0.0267(3) Uani 1 1 d . U . . . H007 H 0.229278 0.321243 0.994655 0.032 Uiso 1 1 calc R U . . . C008 C 0.53531(14) 0.35038(8) 0.82652(5) 0.0196(2) Uani 1 1 d . U . . . C009 C 0.36990(13) 0.59467(8) 0.78917(5) 0.0177(2) Uani 1 1 d . U . . . C00A C 0.46909(15) 0.30548(8) 0.92056(5) 0.0238(2) Uani 1 1 d . U . . . H00A H 0.497993 0.275866 0.954026 0.029 Uiso 1 1 calc R U . . . C00B C 0.57701(15) 0.30080(8) 0.87730(5) 0.0228(2) Uani 1 1 d . U . . . C00C C 0.05254(14) 0.48189(8) 0.80991(5) 0.0208(2) Uani 1 1 d . U . . . H00C H 0.113635 0.474147 0.777736 0.025 Uiso 1 1 calc R U . . . C00D C 0.32418(13) 0.64265(8) 0.83929(5) 0.0188(2) Uani 1 1 d . U . . . C00E C 0.01147(15) 0.45097(8) 0.90868(5) 0.0233(2) Uani 1 1 d . U . . . C00F C 0.62597(14) 0.39513(8) 0.73289(5) 0.0204(2) Uani 1 1 d . U . . . C00G C 0.29846(15) 0.65098(8) 0.94100(5) 0.0246(3) Uani 1 1 d . U . . . H00G H 0.318373 0.625830 0.976473 0.030 Uiso 1 1 calc R U . . . C00H C 0.35315(14) 0.60717(8) 0.89427(5) 0.0206(2) Uani 1 1 d . U . . . H00H H 0.410534 0.552956 0.898752 0.025 Uiso 1 1 calc R U . . . C00I C 0.35948(13) 0.64177(8) 0.73786(5) 0.0187(2) Uani 1 1 d . U . . . C00J C 0.34769(15) 0.64129(9) 0.63355(5) 0.0249(3) Uani 1 1 d . U . . . H00B H 0.237104 0.665214 0.637796 0.037 Uiso 1 1 calc R U . . . H00D H 0.343553 0.594607 0.605587 0.037 Uiso 1 1 calc R U . . . H00E H 0.421077 0.688464 0.621995 0.037 Uiso 1 1 calc R U . . . C00K C 0.29615(15) 0.73174(8) 0.73523(5) 0.0230(2) Uani 1 1 d . U . . . H00K H 0.293423 0.762647 0.701174 0.028 Uiso 1 1 calc R U . . . C00L C 0.06109(16) 0.40423(9) 0.95930(5) 0.0275(3) Uani 1 1 d . U . . . H00L H -0.005491 0.407908 0.990469 0.033 Uiso 1 1 calc R U . . . C00M C 0.51558(13) 0.52900(8) 0.68666(5) 0.0189(2) Uani 1 1 d . U . . . C00N C 0.71857(15) 0.37643(9) 0.68555(5) 0.0246(3) Uani 1 1 d . U . . . H00N H 0.787801 0.326041 0.685392 0.030 Uiso 1 1 calc R U . . . C00O C 0.52581(13) 0.47338(7) 0.73477(5) 0.0181(2) Uani 1 1 d . U . . . C00P C 0.24983(14) 0.72962(8) 0.83533(5) 0.0219(2) Uani 1 1 d . U . . . C00Q C -0.19425(15) 0.53719(9) 0.85388(6) 0.0278(3) Uani 1 1 d . U . . . H00Q H -0.292649 0.570823 0.851762 0.033 Uiso 1 1 calc R U . . . C00R C -0.14232(15) 0.49811(9) 0.90363(5) 0.0277(3) Uani 1 1 d . U . . . H00R H -0.209258 0.502608 0.934669 0.033 Uiso 1 1 calc R U . . . C00S C -0.09866(15) 0.52645(8) 0.80595(5) 0.0244(3) Uani 1 1 d . U . . . H00S H -0.137655 0.549503 0.771489 0.029 Uiso 1 1 calc R U . . . C00T C 0.74617(16) 0.25632(9) 0.88804(6) 0.0296(3) Uani 1 1 d . U . . . H00F H 0.739647 0.194281 0.876791 0.044 Uiso 1 1 calc R U . . . H00I H 0.777124 0.259885 0.927414 0.044 Uiso 1 1 calc R U . . . H00J H 0.828919 0.286612 0.866702 0.044 Uiso 1 1 calc R U . . . C00U C 0.70804(15) 0.43255(9) 0.63867(5) 0.0250(3) Uani 1 1 d . U . . . C00V C 0.68759(17) 0.24435(8) 0.76739(6) 0.0287(3) Uani 1 1 d . U . . . H00M H 0.807807 0.241513 0.770669 0.043 Uiso 1 1 calc R U . . . H00O H 0.650615 0.227522 0.729925 0.043 Uiso 1 1 calc R U . . . H00P H 0.640646 0.203748 0.793968 0.043 Uiso 1 1 calc R U . . . C00W C 0.23993(15) 0.77250(8) 0.78198(5) 0.0243(3) Uani 1 1 d . U . . . H00W H 0.193828 0.829913 0.778962 0.029 Uiso 1 1 calc R U . . . C00X C 0.21254(16) 0.73359(9) 0.93578(5) 0.0286(3) Uani 1 1 d . U . . . H00X H 0.170296 0.761243 0.967340 0.034 Uiso 1 1 calc R U . . . C00Y C 0.60447(14) 0.50796(8) 0.63880(5) 0.0227(2) Uani 1 1 d . U . . . H00Y H 0.594313 0.544427 0.607032 0.027 Uiso 1 1 calc R U . . . C00Z C 0.19174(15) 0.77281(9) 0.88394(5) 0.0269(3) Uani 1 1 d . U . . . H00Z H 0.138838 0.828470 0.880576 0.032 Uiso 1 1 calc R U . . . C010 C 0.81717(18) 0.41348(11) 0.58808(6) 0.0361(3) Uani 1 1 d . U . . . B012 B 0.42486(15) 0.49467(9) 0.78564(5) 0.0176(2) Uani 1 1 d . . . . . C1 C 0.8530(2) 0.31327(11) 0.58199(7) 0.0418(4) Uani 1 1 d . U . . . H1A H 0.919329 0.292801 0.614060 0.063 Uiso 1 1 calc R U . . . H1B H 0.913224 0.303188 0.548375 0.063 Uiso 1 1 calc R U . . . H1C H 0.749062 0.280646 0.579681 0.063 Uiso 1 1 calc R U . . . C2 C 0.9851(3) 0.46173(14) 0.59897(11) 0.0741(7) Uani 1 1 d . U . . . H2A H 0.966697 0.525590 0.600170 0.111 Uiso 1 1 calc R U . . . H2B H 1.058982 0.447830 0.569257 0.111 Uiso 1 1 calc R U . . . H2C H 1.034792 0.442024 0.634291 0.111 Uiso 1 1 calc R U . . . C3 C 0.7316(4) 0.4454(2) 0.53330(8) 0.1029(11) Uani 1 1 d . U . . . H3A H 0.619806 0.421485 0.530274 0.154 Uiso 1 1 calc R U . . . H3B H 0.794081 0.424732 0.502084 0.154 Uiso 1 1 calc R U . . . H3C H 0.727057 0.509961 0.532980 0.154 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 N001 0.0190(5) 0.0217(5) 0.0192(5) 0.0029(4) 0.0023(4) 0.0013(4) N002 0.0200(5) 0.0184(5) 0.0251(5) 0.0002(4) 0.0018(4) 0.0034(4) C003 0.0214(5) 0.0171(5) 0.0192(5) -0.0017(4) 0.0005(4) -0.0034(4) C004 0.0177(5) 0.0177(5) 0.0187(5) -0.0014(4) -0.0005(4) -0.0016(4) C005 0.0265(6) 0.0186(5) 0.0209(5) -0.0005(4) -0.0002(5) -0.0044(4) C006 0.0194(5) 0.0183(5) 0.0226(5) -0.0022(4) 0.0023(4) -0.0048(4) C007 0.0344(7) 0.0259(6) 0.0198(5) 0.0034(5) 0.0026(5) -0.0055(5) C008 0.0191(5) 0.0166(5) 0.0231(5) -0.0006(4) -0.0001(4) -0.0028(4) C009 0.0126(5) 0.0198(5) 0.0208(5) 0.0005(4) 0.0011(4) -0.0015(4) C00A 0.0300(6) 0.0196(5) 0.0214(5) 0.0031(4) -0.0046(5) -0.0027(5) C00B 0.0237(6) 0.0176(5) 0.0268(6) 0.0008(4) -0.0036(5) -0.0007(4) C00C 0.0178(5) 0.0213(5) 0.0234(5) -0.0019(4) 0.0025(4) -0.0046(4) C00D 0.0139(5) 0.0192(5) 0.0232(5) -0.0009(4) 0.0015(4) -0.0020(4) C00E 0.0225(6) 0.0238(6) 0.0239(6) -0.0037(5) 0.0046(5) -0.0061(5) C00F 0.0172(5) 0.0205(5) 0.0235(6) -0.0016(4) 0.0009(4) -0.0012(4) C00G 0.0261(6) 0.0261(6) 0.0217(6) -0.0020(5) 0.0023(5) -0.0051(5) C00H 0.0190(5) 0.0190(5) 0.0239(6) -0.0010(4) 0.0010(4) -0.0027(4) C00I 0.0137(5) 0.0204(5) 0.0222(5) 0.0006(4) 0.0018(4) -0.0007(4) C00J 0.0226(6) 0.0298(6) 0.0223(6) 0.0051(5) 0.0008(5) 0.0027(5) C00K 0.0209(5) 0.0225(6) 0.0257(6) 0.0049(5) 0.0015(4) 0.0022(4) C00L 0.0303(6) 0.0302(6) 0.0227(6) -0.0018(5) 0.0084(5) -0.0069(5) C00M 0.0149(5) 0.0204(5) 0.0215(5) -0.0014(4) 0.0013(4) -0.0024(4) C00N 0.0208(6) 0.0257(6) 0.0277(6) -0.0023(5) 0.0038(5) 0.0043(5) C00O 0.0147(5) 0.0182(5) 0.0214(5) -0.0010(4) 0.0005(4) -0.0022(4) C00P 0.0169(5) 0.0217(6) 0.0272(6) -0.0016(5) 0.0014(4) 0.0000(4) C00Q 0.0161(5) 0.0304(6) 0.0370(7) -0.0062(5) 0.0021(5) -0.0012(5) C00R 0.0210(6) 0.0328(7) 0.0299(6) -0.0071(5) 0.0076(5) -0.0052(5) C00S 0.0188(5) 0.0253(6) 0.0288(6) -0.0003(5) -0.0015(5) -0.0041(5) C00T 0.0282(6) 0.0267(6) 0.0333(7) 0.0043(5) -0.0056(5) 0.0043(5) C00U 0.0203(5) 0.0307(6) 0.0243(6) -0.0034(5) 0.0055(4) -0.0008(5) C00V 0.0324(7) 0.0214(6) 0.0324(7) -0.0008(5) 0.0040(5) 0.0077(5) C00W 0.0211(5) 0.0200(6) 0.0318(6) 0.0017(5) 0.0009(5) 0.0044(4) C00X 0.0291(6) 0.0297(7) 0.0276(6) -0.0083(5) 0.0072(5) 0.0004(5) C00Y 0.0205(5) 0.0262(6) 0.0216(5) 0.0008(5) 0.0036(4) -0.0020(4) C00Z 0.0237(6) 0.0234(6) 0.0337(6) -0.0048(5) 0.0035(5) 0.0038(5) C010 0.0350(7) 0.0434(8) 0.0308(7) -0.0001(6) 0.0148(6) 0.0098(6) B012 0.0132(5) 0.0199(6) 0.0193(6) -0.0007(5) -0.0020(4) -0.0010(4) C1 0.0402(8) 0.0476(9) 0.0388(8) -0.0185(7) 0.0160(6) -0.0018(7) C2 0.0615(12) 0.0548(11) 0.1111(17) -0.0304(11) 0.0648(12) -0.0232(9) C3 0.121(2) 0.159(3) 0.0306(9) 0.0218(12) 0.0338(11) 0.0961(19) _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 N001 C00I 1.4003(14) . ? N001 C00J 1.4638(14) . ? N001 C00M 1.3939(15) . ? N002 C008 1.4051(15) . ? N002 C00F 1.3960(15) . ? N002 C00V 1.4745(15) . ? C003 C004 1.4371(15) . ? C003 C005 1.4069(16) . ? C003 C006 1.4526(16) . ? C004 C008 1.4139(16) . ? C004 B012 1.5457(17) . ? C005 C007 1.4325(16) . ? C005 C00A 1.4153(17) . ? C006 C00C 1.4099(16) . ? C006 C00E 1.4236(15) . ? C007 H007 0.9300 . ? C007 C00L 1.3532(19) . ? C008 C00B 1.4414(16) . ? C009 C00D 1.4470(15) . ? C009 C00I 1.4055(15) . ? C009 B012 1.5514(16) . ? C00A H00A 0.9300 . ? C00A C00B 1.3685(17) . ? C00B C00T 1.5149(17) . ? C00C H00C 0.9300 . ? C00C C00S 1.3756(17) . ? C00D C00H 1.4195(16) . ? C00D C00P 1.4227(16) . ? C00E C00L 1.4312(18) . ? C00E C00R 1.4134(18) . ? C00F C00N 1.3981(16) . ? C00F C00O 1.4119(16) . ? C00G H00G 0.9300 . ? C00G C00H 1.3731(16) . ? C00G C00X 1.4082(18) . ? C00H H00H 0.9300 . ? C00I C00K 1.4287(16) . ? C00J H00B 0.9600 . ? C00J H00D 0.9600 . ? C00J H00E 0.9600 . ? C00K H00K 0.9300 . ? C00K C00W 1.3569(17) . ? C00L H00L 0.9300 . ? C00M C00O 1.4102(16) . ? C00M C00Y 1.3995(15) . ? C00N H00N 0.9300 . ? C00N C00U 1.3913(18) . ? C00O B012 1.5122(16) . ? C00P C00W 1.4184(17) . ? C00P C00Z 1.4153(17) . ? C00Q H00Q 0.9300 . ? C00Q C00R 1.3668(19) . ? C00Q C00S 1.4047(17) . ? C00R H00R 0.9300 . ? C00S H00S 0.9300 . ? C00T H00F 0.9600 . ? C00T H00I 0.9600 . ? C00T H00J 0.9600 . ? C00U C00Y 1.3917(17) . ? C00U C010 1.5383(16) . ? C00V H00M 0.9600 . ? C00V H00O 0.9600 . ? C00V H00P 0.9600 . ? C00W H00W 0.9300 . ? C00X H00X 0.9300 . ? C00X C00Z 1.3670(19) . ? C00Y H00Y 0.9300 . ? C00Z H00Z 0.9300 . ? C010 C1 1.523(2) . ? C010 C2 1.532(2) . ? C010 C3 1.521(2) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? C3 H3A 0.9600 . ? C3 H3B 0.9600 . ? C3 H3C 0.9600 . ? 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 C00I N001 C00J 119.74(10) . . ? C00M N001 C00I 121.69(9) . . ? C00M N001 C00J 118.51(9) . . ? C008 N002 C00V 117.55(10) . . ? C00F N002 C008 122.73(10) . . ? C00F N002 C00V 115.48(10) . . ? C004 C003 C006 121.69(10) . . ? C005 C003 C004 119.99(11) . . ? C005 C003 C006 118.31(10) . . ? C003 C004 B012 126.86(10) . . ? C008 C004 C003 117.51(10) . . ? C008 C004 B012 115.11(10) . . ? C003 C005 C007 120.16(11) . . ? C003 C005 C00A 118.13(11) . . ? C00A C005 C007 121.54(11) . . ? C00C C006 C003 122.90(10) . . ? C00C C006 C00E 117.87(11) . . ? C00E C006 C003 119.14(10) . . ? C005 C007 H007 119.5 . . ? C00L C007 C005 120.98(11) . . ? C00L C007 H007 119.5 . . ? N002 C008 C004 121.48(10) . . ? N002 C008 C00B 118.95(10) . . ? C004 C008 C00B 119.49(10) . . ? C00D C009 B012 126.64(10) . . ? C00I C009 C00D 117.46(10) . . ? C00I C009 B012 115.88(10) . . ? C005 C00A H00A 118.5 . . ? C00B C00A C005 123.09(11) . . ? C00B C00A H00A 118.5 . . ? C008 C00B C00T 122.57(11) . . ? C00A C00B C008 118.16(11) . . ? C00A C00B C00T 118.57(11) . . ? C006 C00C H00C 119.3 . . ? C00S C00C C006 121.34(11) . . ? C00S C00C H00C 119.3 . . ? C00H C00D C009 122.55(10) . . ? C00H C00D C00P 116.75(10) . . ? C00P C00D C009 120.69(10) . . ? C006 C00E C00L 119.36(11) . . ? C00R C00E C006 119.16(11) . . ? C00R C00E C00L 121.45(11) . . ? N002 C00F C00N 120.48(11) . . ? N002 C00F C00O 119.08(10) . . ? C00N C00F C00O 120.44(11) . . ? C00H C00G H00G 119.7 . . ? C00H C00G C00X 120.69(11) . . ? C00X C00G H00G 119.7 . . ? C00D C00H H00H 119.2 . . ? C00G C00H C00D 121.57(11) . . ? C00G C00H H00H 119.2 . . ? N001 C00I C009 122.39(10) . . ? N001 C00I C00K 116.82(10) . . ? C009 C00I C00K 120.79(10) . . ? N001 C00J H00B 109.5 . . ? N001 C00J H00D 109.5 . . ? N001 C00J H00E 109.5 . . ? H00B C00J H00D 109.5 . . ? H00B C00J H00E 109.5 . . ? H00D C00J H00E 109.5 . . ? C00I C00K H00K 119.7 . . ? C00W C00K C00I 120.59(11) . . ? C00W C00K H00K 119.7 . . ? C007 C00L C00E 120.86(11) . . ? C007 C00L H00L 119.6 . . ? C00E C00L H00L 119.6 . . ? N001 C00M C00O 118.31(10) . . ? N001 C00M C00Y 120.77(10) . . ? C00Y C00M C00O 120.90(11) . . ? C00F C00N H00N 119.7 . . ? C00U C00N C00F 120.57(11) . . ? C00U C00N H00N 119.7 . . ? C00F C00O B012 121.15(10) . . ? C00M C00O C00F 118.09(10) . . ? C00M C00O B012 120.68(10) . . ? C00W C00P C00D 118.36(11) . . ? C00Z C00P C00D 120.42(11) . . ? C00Z C00P C00W 121.20(11) . . ? C00R C00Q H00Q 120.1 . . ? C00R C00Q C00S 119.85(12) . . ? C00S C00Q H00Q 120.1 . . ? C00E C00R H00R 119.5 . . ? C00Q C00R C00E 121.07(11) . . ? C00Q C00R H00R 119.5 . . ? C00C C00S C00Q 120.12(12) . . ? C00C C00S H00S 119.9 . . ? C00Q C00S H00S 119.9 . . ? C00B C00T H00F 109.5 . . ? C00B C00T H00I 109.5 . . ? C00B C00T H00J 109.5 . . ? H00F C00T H00I 109.5 . . ? H00F C00T H00J 109.5 . . ? H00I C00T H00J 109.5 . . ? C00N C00U C00Y 119.81(11) . . ? C00N C00U C010 119.84(11) . . ? C00Y C00U C010 120.28(11) . . ? N002 C00V H00M 109.5 . . ? N002 C00V H00O 109.5 . . ? N002 C00V H00P 109.5 . . ? H00M C00V H00O 109.5 . . ? H00M C00V H00P 109.5 . . ? H00O C00V H00P 109.5 . . ? C00K C00W C00P 121.55(11) . . ? C00K C00W H00W 119.2 . . ? C00P C00W H00W 119.2 . . ? C00G C00X H00X 120.3 . . ? C00Z C00X C00G 119.46(11) . . ? C00Z C00X H00X 120.3 . . ? C00M C00Y H00Y 120.0 . . ? C00U C00Y C00M 120.09(11) . . ? C00U C00Y H00Y 120.0 . . ? C00P C00Z H00Z 119.6 . . ? C00X C00Z C00P 120.72(12) . . ? C00X C00Z H00Z 119.6 . . ? C1 C010 C00U 111.61(12) . . ? C1 C010 C2 107.87(13) . . ? C2 C010 C00U 107.45(12) . . ? C3 C010 C00U 111.29(12) . . ? C3 C010 C1 107.58(16) . . ? C3 C010 C2 111.02(19) . . ? C004 B012 C009 131.67(10) . . ? C00O B012 C004 114.39(10) . . ? C00O B012 C009 113.82(10) . . ? C010 C1 H1A 109.5 . . ? C010 C1 H1B 109.5 . . ? C010 C1 H1C 109.5 . . ? H1A C1 H1B 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? C010 C2 H2A 109.5 . . ? C010 C2 H2B 109.5 . . ? C010 C2 H2C 109.5 . . ? H2A C2 H2B 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? C010 C3 H3A 109.5 . . ? C010 C3 H3B 109.5 . . ? C010 C3 H3C 109.5 . . ? H3A C3 H3B 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N001 C00I C00K C00W 178.34(11) . . . . ? N001 C00M C00O C00F 177.05(10) . . . . ? N001 C00M C00O B012 0.22(16) . . . . ? N001 C00M C00Y C00U -179.68(11) . . . . ? N002 C008 C00B C00A -171.48(10) . . . . ? N002 C008 C00B C00T 18.32(17) . . . . ? N002 C00F C00N C00U 177.60(11) . . . . ? N002 C00F C00O C00M -177.10(10) . . . . ? N002 C00F C00O B012 -0.29(16) . . . . ? C003 C004 C008 N002 160.98(10) . . . . ? C003 C004 C008 C00B -22.41(15) . . . . ? C003 C004 B012 C009 23.47(19) . . . . ? C003 C004 B012 C00O -160.89(10) . . . . ? C003 C005 C007 C00L 1.56(18) . . . . ? C003 C005 C00A C00B -6.34(18) . . . . ? C003 C006 C00C C00S -176.03(11) . . . . ? C003 C006 C00E C00L -6.64(17) . . . . ? C003 C006 C00E C00R 175.24(11) . . . . ? C004 C003 C005 C007 170.49(11) . . . . ? C004 C003 C005 C00A -4.88(16) . . . . ? C004 C003 C006 C00C 15.48(17) . . . . ? C004 C003 C006 C00E -168.05(10) . . . . ? C004 C008 C00B C00A 11.83(16) . . . . ? C004 C008 C00B C00T -158.37(11) . . . . ? C005 C003 C004 C008 18.97(16) . . . . ? C005 C003 C004 B012 -152.36(11) . . . . ? C005 C003 C006 C00C -163.75(11) . . . . ? C005 C003 C006 C00E 12.72(16) . . . . ? C005 C007 C00L C00E 4.86(19) . . . . ? C005 C00A C00B C008 2.92(18) . . . . ? C005 C00A C00B C00T 173.52(11) . . . . ? C006 C003 C004 C008 -160.25(10) . . . . ? C006 C003 C004 B012 28.42(17) . . . . ? C006 C003 C005 C007 -10.27(16) . . . . ? C006 C003 C005 C00A 174.37(10) . . . . ? C006 C00C C00S C00Q -1.28(18) . . . . ? C006 C00E C00L C007 -2.19(18) . . . . ? C006 C00E C00R C00Q 2.75(18) . . . . ? C007 C005 C00A C00B 178.36(11) . . . . ? C008 N002 C00F C00N -176.95(11) . . . . ? C008 N002 C00F C00O 3.35(16) . . . . ? C008 C004 B012 C009 -148.04(12) . . . . ? C008 C004 B012 C00O 27.60(14) . . . . ? C009 C00D C00H C00G -175.46(11) . . . . ? C009 C00D C00P C00W -7.37(16) . . . . ? C009 C00D C00P C00Z 174.35(11) . . . . ? C009 C00I C00K C00W -2.04(17) . . . . ? C00A C005 C007 C00L 176.77(12) . . . . ? C00C C006 C00E C00L 170.01(11) . . . . ? C00C C006 C00E C00R -8.11(17) . . . . ? C00D C009 C00I N001 175.82(10) . . . . ? C00D C009 C00I C00K -3.77(16) . . . . ? C00D C009 B012 C004 17.89(19) . . . . ? C00D C009 B012 C00O -157.77(10) . . . . ? C00D C00P C00W C00K 1.38(18) . . . . ? C00D C00P C00Z C00X 2.86(18) . . . . ? C00E C006 C00C C00S 7.46(17) . . . . ? C00F N002 C008 C004 11.30(16) . . . . ? C00F N002 C008 C00B -165.32(10) . . . . ? C00F C00N C00U C00Y -0.03(19) . . . . ? C00F C00N C00U C010 177.08(12) . . . . ? C00F C00O B012 C004 -15.05(15) . . . . ? C00F C00O B012 C009 161.38(10) . . . . ? C00G C00X C00Z C00P 2.45(19) . . . . ? C00H C00D C00P C00W 171.51(10) . . . . ? C00H C00D C00P C00Z -6.77(16) . . . . ? C00H C00G C00X C00Z -3.63(19) . . . . ? C00I N001 C00M C00O 20.74(16) . . . . ? C00I N001 C00M C00Y -161.15(11) . . . . ? C00I C009 C00D C00H -170.33(10) . . . . ? C00I C009 C00D C00P 8.48(16) . . . . ? C00I C009 B012 C004 -160.16(11) . . . . ? C00I C009 B012 C00O 24.18(14) . . . . ? C00I C00K C00W C00P 3.32(18) . . . . ? C00J N001 C00I C009 159.49(10) . . . . ? C00J N001 C00I C00K -20.90(15) . . . . ? C00J N001 C00M C00O -156.61(10) . . . . ? C00J N001 C00M C00Y 21.50(16) . . . . ? C00L C00E C00R C00Q -175.33(12) . . . . ? C00M N001 C00I C009 -17.82(16) . . . . ? C00M N001 C00I C00K 161.78(10) . . . . ? C00M C00O B012 C004 161.67(10) . . . . ? C00M C00O B012 C009 -21.89(15) . . . . ? C00N C00F C00O C00M 3.20(16) . . . . ? C00N C00F C00O B012 -179.99(11) . . . . ? C00N C00U C00Y C00M 2.18(18) . . . . ? C00N C00U C010 C1 30.08(18) . . . . ? C00N C00U C010 C2 -87.98(17) . . . . ? C00N C00U C010 C3 150.29(19) . . . . ? C00O C00F C00N C00U -2.70(18) . . . . ? C00O C00M C00Y C00U -1.62(17) . . . . ? C00P C00D C00H C00G 5.68(16) . . . . ? C00R C00E C00L C007 175.88(12) . . . . ? C00R C00Q C00S C00C -4.38(18) . . . . ? C00S C00Q C00R C00E 3.58(19) . . . . ? C00V N002 C008 C004 -144.47(11) . . . . ? C00V N002 C008 C00B 38.91(15) . . . . ? C00V N002 C00F C00N -20.72(16) . . . . ? C00V N002 C00F C00O 159.58(11) . . . . ? C00W C00P C00Z C00X -175.37(12) . . . . ? C00X C00G C00H C00D -0.59(18) . . . . ? C00Y C00M C00O C00F -1.06(16) . . . . ? C00Y C00M C00O B012 -177.88(10) . . . . ? C00Y C00U C010 C1 -152.82(13) . . . . ? C00Y C00U C010 C2 89.12(17) . . . . ? C00Y C00U C010 C3 -32.6(2) . . . . ? C00Z C00P C00W C00K 179.65(12) . . . . ? C010 C00U C00Y C00M -174.92(12) . . . . ? B012 C004 C008 N002 -26.68(15) . . . . ? B012 C004 C008 C00B 149.93(10) . . . . ? B012 C009 C00D C00H 11.64(17) . . . . ? B012 C009 C00D C00P -169.55(10) . . . . ? B012 C009 C00I N001 -5.94(15) . . . . ? B012 C009 C00I C00K 174.47(10) . . . . ? _shelx_res_file ; TITL zjp-zww-7shx_a.res in P2(1)/n zjp-zww-7shx.res created by SHELXL-2018/3 at 22:07:35 on 17-Dec-2021 REM Old TITL ZJP-ZWW-7SHX in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.170, Rweak 0.032, Alpha 0.041, Orientation as input REM Formula found by SHELXT: C37 B N2 CELL 1.54184 7.977331 14.848056 23.768602 90 92.2615 90 ZERR 4 0.000056 0.000113 0.000161 0 0.0007 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H B N UNIT 148 132 4 8 ISOR 0.01 0.02 C3 SIMU 0.01 0.02 3.8 $C L.S. 60 PLAN 1 CONF BOND $H LIST 6 MORE -1 fmap 2 acta REM REM REM WGHT 0.049600 1.291600 FVAR 8.32633 N001 4 0.410697 0.604045 0.687349 11.00000 0.01901 0.02168 = 0.01918 0.00287 0.00232 0.00135 N002 4 0.631862 0.336937 0.779060 11.00000 0.02003 0.01839 = 0.02508 0.00017 0.00176 0.00344 C003 1 0.280499 0.405360 0.868257 11.00000 0.02145 0.01706 = 0.01923 -0.00174 0.00049 -0.00335 C004 1 0.404522 0.414653 0.826403 11.00000 0.01768 0.01773 = 0.01870 -0.00137 -0.00048 -0.00163 C005 1 0.315550 0.353267 0.916748 11.00000 0.02647 0.01862 = 0.02087 -0.00051 -0.00024 -0.00441 C006 1 0.116757 0.447730 0.861741 11.00000 0.01935 0.01834 = 0.02257 -0.00217 0.00233 -0.00482 C007 1 0.203614 0.354765 0.962404 11.00000 0.03440 0.02585 = 0.01983 0.00336 0.00257 -0.00554 AFIX 43 H007 2 0.229278 0.321243 0.994655 11.00000 -1.20000 AFIX 0 C008 1 0.535310 0.350384 0.826521 11.00000 0.01914 0.01662 = 0.02307 -0.00056 -0.00007 -0.00276 C009 1 0.369896 0.594668 0.789174 11.00000 0.01256 0.01978 = 0.02076 0.00045 0.00107 -0.00155 C00A 1 0.469085 0.305480 0.920556 11.00000 0.02999 0.01958 = 0.02138 0.00312 -0.00458 -0.00269 AFIX 43 H00A 2 0.497993 0.275866 0.954026 11.00000 -1.20000 AFIX 0 C00B 1 0.577007 0.300801 0.877301 11.00000 0.02371 0.01763 = 0.02680 0.00076 -0.00363 -0.00067 C00C 1 0.052538 0.481893 0.809908 11.00000 0.01776 0.02126 = 0.02344 -0.00192 0.00253 -0.00456 AFIX 43 H00C 2 0.113635 0.474147 0.777736 11.00000 -1.20000 AFIX 0 C00D 1 0.324181 0.642646 0.839292 11.00000 0.01394 0.01923 = 0.02319 -0.00091 0.00155 -0.00201 C00E 1 0.011466 0.450970 0.908680 11.00000 0.02254 0.02383 = 0.02394 -0.00373 0.00462 -0.00606 C00F 1 0.625973 0.395127 0.732893 11.00000 0.01717 0.02046 = 0.02351 -0.00160 0.00091 -0.00121 C00G 1 0.298463 0.650977 0.941002 11.00000 0.02605 0.02610 = 0.02172 -0.00202 0.00232 -0.00511 AFIX 43 H00G 2 0.318373 0.625830 0.976473 11.00000 -1.20000 AFIX 0 C00H 1 0.353150 0.607165 0.894273 11.00000 0.01902 0.01902 = 0.02388 -0.00101 0.00099 -0.00270 AFIX 43 H00H 2 0.410534 0.552956 0.898752 11.00000 -1.20000 AFIX 0 C00I 1 0.359481 0.641772 0.737862 11.00000 0.01372 0.02036 = 0.02217 0.00063 0.00178 -0.00074 C00J 1 0.347686 0.641287 0.633553 11.00000 0.02261 0.02980 = 0.02226 0.00508 0.00079 0.00270 AFIX 137 H00B 2 0.237104 0.665214 0.637796 11.00000 -1.50000 H00D 2 0.343553 0.594607 0.605587 11.00000 -1.50000 H00E 2 0.421077 0.688464 0.621995 11.00000 -1.50000 AFIX 0 C00K 1 0.296146 0.731743 0.735231 11.00000 0.02095 0.02247 = 0.02575 0.00489 0.00147 0.00216 AFIX 43 H00K 2 0.293423 0.762647 0.701174 11.00000 -1.20000 AFIX 0 C00L 1 0.061088 0.404232 0.959302 11.00000 0.03029 0.03017 = 0.02272 -0.00176 0.00845 -0.00687 AFIX 43 H00L 2 -0.005491 0.407908 0.990469 11.00000 -1.20000 AFIX 0 C00M 1 0.515577 0.528998 0.686664 11.00000 0.01489 0.02040 = 0.02154 -0.00143 0.00131 -0.00240 C00N 1 0.718571 0.376427 0.685548 11.00000 0.02077 0.02569 = 0.02767 -0.00226 0.00375 0.00433 AFIX 43 H00N 2 0.787801 0.326041 0.685392 11.00000 -1.20000 AFIX 0 C00O 1 0.525807 0.473384 0.734774 11.00000 0.01472 0.01823 = 0.02137 -0.00098 0.00054 -0.00222 C00P 1 0.249829 0.729622 0.835328 11.00000 0.01687 0.02167 = 0.02720 -0.00157 0.00140 -0.00002 C00Q 1 -0.194250 0.537194 0.853879 11.00000 0.01614 0.03038 = 0.03704 -0.00615 0.00207 -0.00120 AFIX 43 H00Q 2 -0.292649 0.570823 0.851762 11.00000 -1.20000 AFIX 0 C00R 1 -0.142317 0.498110 0.903633 11.00000 0.02102 0.03277 = 0.02993 -0.00714 0.00758 -0.00519 AFIX 43 H00R 2 -0.209258 0.502608 0.934669 11.00000 -1.20000 AFIX 0 C00S 1 -0.098658 0.526451 0.805954 11.00000 0.01880 0.02530 = 0.02880 -0.00035 -0.00151 -0.00413 AFIX 43 H00S 2 -0.137655 0.549503 0.771489 11.00000 -1.20000 AFIX 0 C00T 1 0.746166 0.256321 0.888035 11.00000 0.02816 0.02668 = 0.03335 0.00428 -0.00556 0.00434 AFIX 137 H00F 2 0.739647 0.194281 0.876791 11.00000 -1.50000 H00I 2 0.777124 0.259885 0.927414 11.00000 -1.50000 H00J 2 0.828919 0.286612 0.866702 11.00000 -1.50000 AFIX 0 C00U 1 0.708042 0.432546 0.638666 11.00000 0.02032 0.03067 = 0.02430 -0.00339 0.00546 -0.00082 C00V 1 0.687594 0.244354 0.767388 11.00000 0.03238 0.02139 = 0.03244 -0.00085 0.00404 0.00767 AFIX 137 H00M 2 0.807807 0.241513 0.770669 11.00000 -1.50000 H00O 2 0.650615 0.227522 0.729925 11.00000 -1.50000 H00P 2 0.640646 0.203748 0.793968 11.00000 -1.50000 AFIX 0 C00W 1 0.239932 0.772505 0.781976 11.00000 0.02107 0.01995 = 0.03179 0.00167 0.00087 0.00442 AFIX 43 H00W 2 0.193828 0.829913 0.778962 11.00000 -1.20000 AFIX 0 C00X 1 0.212542 0.733590 0.935777 11.00000 0.02913 0.02971 = 0.02757 -0.00827 0.00721 0.00044 AFIX 43 H00X 2 0.170296 0.761243 0.967340 11.00000 -1.20000 AFIX 0 C00Y 1 0.604469 0.507961 0.638796 11.00000 0.02050 0.02622 = 0.02156 0.00082 0.00356 -0.00204 AFIX 43 H00Y 2 0.594313 0.544427 0.607032 11.00000 -1.20000 AFIX 0 C00Z 1 0.191739 0.772807 0.883938 11.00000 0.02365 0.02342 = 0.03368 -0.00475 0.00349 0.00383 AFIX 43 H00Z 2 0.138838 0.828470 0.880576 11.00000 -1.20000 AFIX 0 C010 1 0.817171 0.413475 0.588078 11.00000 0.03498 0.04343 = 0.03084 -0.00012 0.01477 0.00983 B012 3 0.424861 0.494670 0.785639 11.00000 0.01322 0.01989 = 0.01933 -0.00065 -0.00197 -0.00103 C1 1 0.853009 0.313265 0.581986 11.00000 0.04016 0.04763 = 0.03882 -0.01854 0.01595 -0.00177 AFIX 137 H1A 2 0.919329 0.292801 0.614060 11.00000 -1.50000 H1B 2 0.913224 0.303188 0.548375 11.00000 -1.50000 H1C 2 0.749062 0.280646 0.579681 11.00000 -1.50000 AFIX 0 C2 1 0.985086 0.461735 0.598965 11.00000 0.06145 0.05476 = 0.11105 -0.03044 0.06475 -0.02325 AFIX 137 H2A 2 0.966697 0.525590 0.600170 11.00000 -1.50000 H2B 2 1.058982 0.447830 0.569257 11.00000 -1.50000 H2C 2 1.034792 0.442024 0.634291 11.00000 -1.50000 AFIX 0 C3 1 0.731638 0.445354 0.533301 11.00000 0.12109 0.15932 = 0.03065 0.02178 0.03382 0.09612 AFIX 137 H3A 2 0.619806 0.421485 0.530274 11.00000 -1.50000 H3B 2 0.794081 0.424732 0.502084 11.00000 -1.50000 H3C 2 0.727057 0.509961 0.532980 11.00000 -1.50000 AFIX 0 HKLF 4 REM zjp-zww-7shx_a.res in P2(1)/n REM wR2 = 0.1093, GooF = S = 1.037, Restrained GooF = 1.027 for all data REM R1 = 0.0428 for 5408 Fo > 4sig(Fo) and 0.0448 for all 5722 data REM 367 parameters refined using 1032 restraints END WGHT 0.0499 1.3126 REM Highest difference peak 0.274, deepest hole -0.322, 1-sigma level 0.037 Q1 1 0.4707 0.4786 0.7607 11.00000 0.05 0.27 ; _shelx_res_checksum 54190 _shelx_hkl_file ; 0 0 3 43.8845 14.8600 3 0 0 -3 11.3195 13.6594 3 0 0 5 12.7474 19.3094 3 0 0 -5 16.1236 20.9075 3 0 0 -7 45.7600 24.0819 3 0 0 7 245.614 18.3654 4 0 0 -8 441.314 39.3498 3 0 0 8 178.204 16.9945 4 0 0 -9 16.7117 25.8862 3 0 0 9 19.5346 10.6804 4 0 0 -10 14476.0 304.520 3 0 0 11 50.1896 33.3324 5 0 0 -11 133.659 32.3368 3 0 0 -12 29293.1 555.780 3 0 0 12 28894.9 597.818 5 0 0 13 16.8718 32.1281 5 0 0 14 7330.74 244.539 5 0 0 -14 7218.15 250.842 14 0 0 -15 475.760 79.3664 11 0 0 -15 17.1974 58.7204 14 0 0 -16 3838.31 201.877 14 0 0 -16 4277.02 206.063 11 0 0 -17 114.937 84.8515 11 0 0 -17 46.5334 87.7359 14 0 0 -18 27967.8 708.505 14 0 0 -18 29372.1 706.187 11 0 0 -19 59.9646 124.295 11 0 0 -19-18.6200 129.679 14 0 0 -20 63812.2 1324.00 11 0 0 -20 64235.4 1347.45 14 0 0 -21 380.276 159.357 14 0 0 -21 187.970 142.977 11 0 0 -22 184017. 3259.72 11 0 0 -22 184099. 3301.62 14 0 0 -23 83.9768 127.684 14 0 0 -23-55.9193 134.511 11 0 0 -24 4943.15 292.371 14 0 0 -24 4334.68 265.061 11 0 0 -25 37.1284 129.718 14 0 0 -26 4769.54 274.057 14 0 0 -27-26.3828 105.810 14 0 0 -28 24.7402 91.0177 14 0 0 -29 57.0248 73.1093 14 0 0 -30 6013.62 183.680 14 0 1 0 825.989 32.2324 2 0 -1 0 1124.76 36.3712 2 0 1 2 22625.8 394.471 3 0 1 -2 23331.7 390.754 5 0 -1 -4 41138.5 678.931 3 0 1 4 39701.3 680.243 3 0 -1 4 39689.9 676.580 5 0 -1 5 2475.91 81.5958 5 0 -1 -5 2588.88 81.7329 3 0 1 6 13200.1 271.931 3 0 1 -6 13032.3 258.480 3 0 -1 6 13135.1 269.585 5 0 -1 7 33732.7 610.461 5 0 1 7 33782.2 613.013 3 0 1 -7 33403.1 591.579 3 0 -1 -7 35113.6 605.393 3 0 1 8 11396.9 259.834 3 0 -1 -8 12075.4 251.867 3 0 1 -8 11227.2 238.438 3 0 -1 8 11108.4 255.109 5 0 1 8 11336.5 225.637 4 0 -1 9 38404.7 700.508 5 0 -1 -9 38796.6 686.642 3 0 1 -9 38301.1 675.400 3 0 1 9 39644.4 708.637 3 0 1 9 36966.5 652.420 4 0 1 10 168571. 2765.42 4 0 1 -10 174275. 2792.06 3 0 -1 10 176183. 2828.62 5 0 1 11 13180.3 275.808 4 0 -1 11 14103.0 335.162 5 0 1 12 385.501 30.3245 4 0 1 -12 462.413 46.0153 3 0 -1 13 1051.92 81.3837 5 0 1 13 714.250 30.7982 4 0 -1 14 552.396 64.8901 5 0 1 14 616.767 70.7224 5 0 -1 -14 794.145 90.4423 11 0 -1 -14 585.653 81.3701 14 0 1 -14 592.844 53.2061 3 0 -1 -15 464.391 87.6507 11 0 1 -15 417.645 72.9798 11 0 -1 -15 401.981 81.5024 14 0 -1 -16 7861.39 298.852 11 0 1 -16 7949.35 279.575 11 0 -1 -16 7538.80 293.350 14 0 -1 -17 42517.0 920.219 11 0 1 -17 42032.6 885.801 11 0 -1 -17 40615.6 910.725 14 0 1 -18 54049.2 1108.02 11 0 -1 -18 54001.5 1137.60 11 0 -1 -18 53174.0 1138.31 14 0 -1 -19 146056. 2662.51 14 0 1 -19 145433. 2615.52 11 0 -1 -19 150414. 2661.77 11 0 -1 -20 144655. 2639.08 11 0 -1 -20 145949. 2652.72 14 0 1 -20 144309. 2603.70 11 0 1 -21 37964.3 898.276 11 0 -1 -21 38807.5 945.147 14 0 -1 -21 39048.5 932.939 11 0 -1 -22 13347.1 489.968 14 0 -1 -22 13137.5 481.215 11 0 1 -22 12945.7 449.874 11 0 -1 -23 30389.2 793.577 11 0 1 -23 29227.3 751.800 11 0 -1 -23 30911.3 810.618 14 0 -1 -24 561.367 157.927 11 0 1 -24 650.554 136.485 11 0 -1 -24 866.622 170.905 14 0 -1 -25 1237.75 178.634 14 0 1 -25 889.446 134.281 11 0 -1 -26 6362.46 312.844 14 0 -1 -27 1760.06 171.839 14 0 -1 -28 2457.51 169.129 14 0 -1 -29 770.524 94.9091 14 0 2 2 25921.3 475.424 1 0 2 -4 121721. 1959.61 5 0 2 4 119673. 1971.74 3 0 2 5 169005. 2740.59 3 0 2 -7 273.269 34.5241 3 0 2 7 268.649 40.9932 3 0 2 -8 23583.8 443.858 3 0 2 8 23817.5 472.538 3 0 2 9 291.417 45.7032 3 0 2 -9 248.067 34.4722 3 0 2 -10 71232.2 1194.65 3 0 2 10 68896.9 1190.19 4 0 2 10 71924.3 1246.05 3 0 2 11 6543.07 208.773 3 0 2 -11 6265.70 169.547 3 0 2 11 5867.62 162.515 4 0 2 -12 10004.3 235.215 3 0 2 12 9857.17 282.861 3 0 2 12 9342.03 226.242 4 0 2 -13 24247.6 460.514 3 0 2 13 21735.8 439.381 4 0 2 -14 4107.96 181.315 12 0 -2 -14 4237.96 198.233 14 0 -2 -14 4372.80 204.731 11 0 2 -14 4110.14 139.164 3 0 2 -15 30025.5 658.513 14 0 -2 -15 28075.5 671.672 14 0 2 -15 28971.2 632.476 11 0 -2 -15 29982.2 688.823 11 0 -2 -16 6616.61 286.094 11 0 2 -16 6383.02 257.797 14 0 2 -16 6456.31 244.145 11 0 -2 -16 6241.96 272.437 14 0 2 -17 127.462 83.5481 14 0 2 -17 157.430 72.8701 11 0 -2 -17 201.878 116.572 11 0 -2 -17 85.2423 95.2116 14 0 -2 -18 231950. 4022.10 14 0 -2 -18 239991. 4035.21 11 0 2 -18 233007. 3983.41 14 0 2 -18 231567. 3949.57 11 0 -2 -19 3233.99 228.240 14 0 2 -19 2626.98 201.644 14 0 -2 -19 2881.05 240.476 11 0 2 -19 2675.13 189.926 11 0 -2 -20 93751.5 1827.75 11 0 2 -20 93167.6 1761.02 11 0 -2 -20 89748.7 1819.47 14 0 2 -20 94499.4 1803.86 14 0 -2 -21 288892. 4963.35 14 0 -2 -21 291989. 4960.79 11 0 2 -21 292667. 4935.49 14 0 2 -21 285013. 4879.75 11 0 -2 -22 95780.5 1894.13 14 0 2 -22 97323.3 1877.65 14 0 2 -22 92853.8 1812.15 11 0 -2 -22 96881.5 1895.59 11 0 2 -23 3271.58 215.254 11 0 2 -23 3481.91 256.878 14 0 -2 -23 3810.38 261.556 14 0 -2 -23 2946.83 259.530 11 0 2 -24 25012.6 643.433 11 0 -2 -24 24518.0 699.696 11 0 -2 -24 25767.9 720.839 14 0 2 -24 24964.1 698.528 14 0 2 -25 10873.5 413.647 14 0 -2 -25 11346.3 434.145 14 0 2 -25 10486.7 362.507 11 0 -2 -26 19966.2 574.166 14 0 -2 -27 3331.28 212.363 14 0 -2 -28 8248.44 292.506 14 0 2 -28 7800.13 285.279 6 0 -2 -29 8522.15 265.246 14 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7 -11 2843.67 174.163 7 2 7 -10 2103.91 148.538 7 -2 -7 10 1438.78 121.664 13 2 7 -9 24.2092 56.7411 7 -2 -7 9 54.6608 61.6662 13 2 7 -8 1640.86 105.448 4 2 7 -8 1814.48 134.399 7 2 7 -7 1218.46 95.4812 4 2 7 -7 1633.33 128.007 7 -2 -7 6 779.261 126.621 2 2 7 -5 57017.2 1151.90 5 -2 7 4 46258.2 968.512 3 2 7 -4 47488.0 990.449 5 -2 7 3 3260.91 170.878 4 2 7 -3 3349.53 186.776 5 -2 -7 3 3527.58 228.400 1 -2 7 3 3519.78 181.289 3 -2 7 2 20426.9 500.411 4 -2 7 2 20313.1 507.915 3 -2 -7 2 21349.0 610.401 1 -2 7 1 128495. 2195.60 4 -2 -7 1 127333. 2345.31 1 -2 7 1 124025. 2198.50 3 -2 7 0 8629.96 271.415 4 -2 -7 0 8390.70 352.668 1 2 7 0 8219.29 344.905 2 -2 7 0 9033.32 282.577 3 -2 -7 -1 114005. 2131.16 1 -2 7 -1 115820. 1972.01 4 2 7 1 112179. 2098.65 2 -2 7 -1 111587. 1971.76 3 -2 7 -2 15619.6 394.131 3 -2 7 -2 16709.0 400.595 4 2 7 2 16101.2 485.814 2 -2 -7 -2 16317.7 511.578 1 -2 7 -3 158133. 2627.50 4 2 7 3 161604. 2783.95 2 -2 7 -4 32340.8 647.775 4 -2 7 -4 30897.8 629.010 3 -2 7 -5 45907.6 848.136 3 2 7 5 46219.7 1036.93 2 -2 7 -5 45558.7 869.656 4 -2 7 -6 147875. 2498.14 4 -2 7 -6 149745. 2463.19 3 -2 7 -7 84097.8 1466.03 4 -2 7 -8 7501.02 228.941 9 -2 7 -8 7363.15 263.127 7 -2 -7 -9 65655.6 1396.15 14 -2 7 -9 69103.1 1211.89 9 -2 7 -9 64906.0 1263.81 7 -2 7 -10 26227.9 559.026 9 -2 -7 -10 25514.3 618.564 11 -2 7 -10 25247.0 599.238 7 -2 -7 -10 25500.5 712.394 14 -2 -7 -11 52282.1 1194.42 14 -2 -7 -11 51961.0 1084.91 11 -2 7 -11 52963.3 1064.13 7 -2 7 -11 54474.6 1013.50 9 -2 -7 -12 873.227 161.780 14 -2 7 -12 977.508 105.744 12 -2 7 -12 729.313 102.003 7 -2 7 -12 835.702 98.1890 9 -2 7 -13 1192.15 123.133 7 -2 -7 -13 1026.81 173.105 14 -2 7 -13 1067.01 118.232 12 -2 -7 -13 999.797 161.656 11 -2 7 -13 1123.00 117.280 9 -2 -7 -14 23525.8 715.443 14 -2 -7 -14 23865.9 650.786 11 -2 7 -14 23846.3 607.836 7 -2 7 -14 23762.4 566.886 9 -2 -7 -15 4955.33 313.341 14 -2 7 -15 4595.56 221.020 14 -2 7 -15 4955.62 246.370 7 -2 -7 -15 4911.38 298.216 11 -2 -7 -16 873.794 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38.1834 63.1777 6 -2 7 -25 13736.5 345.907 6 -2 -7 -26 5051.71 192.509 10 2 8 -26 3867.98 143.587 14 2 8 -26 3770.10 147.845 6 2 8 -25 2862.35 144.516 7 2 8 -25 2629.91 138.769 14 2 -8 -25 2540.86 134.471 10 2 8 -24 7213.34 257.327 7 2 8 -24 6827.63 243.323 14 2 -8 -24 6652.03 257.009 10 2 8 -23 2729.71 174.335 7 2 8 -23 2686.37 162.417 14 2 8 -22 41.0003 92.4926 7 2 8 -22 38.2528 82.0541 14 2 8 -21 10858.0 378.092 7 2 8 -21 10999.6 358.581 14 2 8 -20 10222.2 347.598 14 2 8 -20 9874.76 367.551 7 2 8 -19 6307.67 292.225 7 2 8 -18 52273.6 1114.97 7 2 8 -17 18177.3 534.324 7 2 8 -16 11803.0 408.487 7 2 8 -15 7914.21 329.648 7 2 8 -14 22232.8 598.062 7 2 8 -13 26.3084 82.8141 7 -2 -8 13 146.907 65.2484 13 -2 -8 12 9728.67 317.976 13 2 8 -12 10133.4 358.953 7 -2 -8 11 311.357 77.6943 13 2 8 -11 318.658 89.9155 7 -2 -8 10 1740.64 136.343 13 2 8 -10 1729.70 148.713 7 -2 -8 9 54979.5 1103.91 13 2 8 -9 54611.1 1120.38 7 -2 -8 8 25542.1 629.120 13 2 8 -8 26301.1 640.620 7 2 8 -7 49395.0 1036.93 7 2 -8 -7 50398.6 1083.02 10 -2 -8 7 48595.8 1030.27 13 2 8 -7 50772.1 989.192 4 2 8 -6 19375.7 522.093 7 -2 -8 6 18510.5 517.073 13 2 -8 -6 19351.1 544.237 10 2 8 -5 32509.6 747.762 7 -2 -8 5 31455.3 747.816 13 2 8 -4 33528.4 773.012 7 2 8 -3 82551.2 1597.93 7 -2 -8 3 87666.7 1736.22 1 -2 -8 2 34676.7 886.065 1 -2 -8 1 117310. 2234.79 1 -2 8 1 117036. 2085.11 3 -2 8 0 173468. 2982.51 3 -2 -8 0 176574. 3148.36 1 -2 -8 -1 11070.8 429.104 1 -2 8 -1 11736.4 344.845 3 -2 -8 -1 10814.0 393.462 10 -2 8 -2 87550.2 1541.44 4 -2 -8 -2 84097.0 1654.37 10 -2 8 -2 83205.7 1535.25 3 -2 8 -3 125213. 2128.51 4 -2 -8 -3 124134. 2269.90 10 -2 8 -3 124516. 2065.75 9 -2 8 -3 117244. 2115.65 3 -2 -8 -4 4093.37 249.138 10 -2 8 -4 4341.40 176.740 3 -2 8 -4 4045.34 176.602 4 -2 -8 -5 315858. 5297.28 10 -2 8 -5 310288. 5108.64 4 -2 8 -5 313460. 5071.10 9 -2 8 -6 187553. 3215.83 7 -2 -8 -6 187457. 3350.93 10 -2 8 -6 190507. 3129.05 9 -2 8 -7 49478.1 1002.18 7 -2 8 -8 16592.8 452.890 7 -2 8 -9 68948.9 1255.54 9 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14334.8 408.041 10 -2 8 -25 14823.9 346.221 6 -2 -8 -25 20925.2 443.573 10 -2 -8 -26 2404.18 107.859 10 2 9 -25 6593.26 198.747 7 2 9 -25 5853.00 180.046 14 2 9 -24 7157.59 221.865 14 2 9 -24 6935.20 230.402 7 2 9 -23 490.401 88.9500 7 2 9 -23 606.663 87.1847 14 2 -9 -23 474.799 94.2650 10 2 9 -22 20324.6 489.704 14 2 9 -22 20457.8 517.877 7 2 -9 -22 19853.5 538.254 10 2 9 -21 212.534 96.5238 7 2 9 -21 189.223 85.8316 14 2 9 -20 12998.8 415.912 7 2 9 -20 13354.9 391.723 14 2 9 -19 3122.76 205.441 7 2 9 -18 2654.98 198.530 7 2 9 -17 6290.24 288.599 7 2 9 -16 6661.05 304.886 7 2 9 -15 81.4427 93.7485 7 2 9 -14 46911.2 1028.93 7 2 9 -13 969.221 134.909 7 2 9 -12 57701.5 1200.10 7 -2 -9 11 18632.7 486.044 13 2 9 -11 18762.5 537.136 7 2 -9 -10 109813. 2091.42 10 -2 -9 10 106227. 1945.10 13 2 9 -10 109310. 2006.08 7 2 -9 -9 2566.27 210.630 10 -2 -9 9 2500.23 168.305 13 2 9 -9 2471.80 183.248 7 -2 -9 8 34150.1 794.991 13 2 9 -8 35377.5 823.647 7 2 9 -7 81609.5 1568.47 7 -2 -9 7 78134.6 1542.95 13 2 -9 -7 82632.6 1618.22 10 2 9 -6 4793.29 247.384 7 -2 -9 6 4767.29 244.820 13 2 -9 -6 4734.02 264.245 10 -2 -9 5 9326.97 356.143 13 2 9 -5 9503.85 357.831 7 2 -9 -5 9480.92 368.885 10 2 9 -4 76428.3 1501.02 7 2 -9 -4 76884.2 1507.83 10 -2 -9 4 74538.3 1500.05 13 -2 -9 3 412.847 106.265 13 2 9 -3 345.620 102.208 7 -2 9 3 323.150 96.8015 7 2 -9 -3 445.339 102.243 10 -2 9 2 42408.5 947.676 7 2 -9 -2 42898.3 937.743 10 -2 9 2 42100.9 783.631 9 2 9 -2 42716.7 960.395 7 -2 9 1 41685.1 930.921 7 2 9 -1 42255.2 957.889 7 -2 9 1 42286.3 784.824 9 2 9 0 107379. 2039.01 7 -2 9 0 109381. 1842.90 9 -2 9 0 108174. 1999.66 7 -2 9 -1 85026.1 1474.79 9 -2 9 -1 85686.4 1617.99 7 -2 -9 -1 86040.2 1690.00 10 2 9 1 83498.9 1670.43 7 -2 9 -2 30513.0 732.105 7 -2 9 -2 31974.7 626.239 9 -2 -9 -2 30809.0 799.699 10 -2 9 -3 7633.30 299.186 7 -2 9 -3 7574.79 232.043 9 -2 -9 -3 7253.76 346.931 10 -2 9 -4 97510.2 1804.90 7 -2 -9 -4 97945.4 1919.90 10 -2 9 -4 97640.1 1690.58 9 -2 9 -5 51474.4 1045.50 7 -2 9 -5 49158.1 946.059 9 -2 -9 -5 51416.5 1155.80 10 -2 9 -6 1441.93 112.438 9 -2 9 -6 1417.33 131.294 7 -2 9 -7 3019.56 154.229 9 -2 -9 -7 3264.67 247.933 10 -2 9 -7 2835.27 178.856 7 -2 -9 -8 83387.0 1706.48 10 -2 9 -8 81419.8 1550.79 7 -2 -9 -9 40315.3 1009.99 10 -2 9 -9 39582.0 868.042 7 -2 9 -10 4017.84 191.033 12 -2 9 -10 3984.02 211.581 7 -2 9 -11 113143. 2003.08 12 -2 9 -11 114675. 2019.02 9 -2 9 -11 111973. 2060.19 7 -2 9 -12 19650.4 505.455 12 -2 9 -12 20220.0 517.989 9 -2 9 -12 20152.9 545.314 7 -2 9 -13 821.254 119.938 12 -2 9 -13 714.800 117.905 7 -2 9 -13 571.874 114.530 9 -2 9 -14 11873.3 394.156 7 -2 9 -14 11510.9 372.992 12 -2 9 -15 4193.35 227.548 12 -2 9 -15 4696.62 241.225 7 -2 9 -16 50.0631 55.2318 11 -2 9 -16 76.0089 86.7632 7 -2 9 -16 131.076 107.670 12 -2 9 -17 24365.5 614.623 12 -2 9 -17 25541.2 629.317 7 -2 9 -18 1056.53 150.134 12 -2 9 -18 1139.51 96.5116 11 -2 9 -18 1263.60 142.091 7 -2 9 -19 21.1526 82.7697 7 -2 9 -19 28.6754 48.2277 11 -2 9 -20 23676.5 586.685 7 -2 9 -21 35.5726 73.6618 7 -2 -9 -21 49.1683 110.965 10 -2 9 -22 26.5394 70.6626 7 -2 -9 -22 124.637 103.287 10 -2 9 -23 2663.30 136.819 7 -2 -9 -23 2302.91 166.236 10 -2 9 -24 15059.1 346.229 6 -2 -9 -24 20165.4 444.604 10 -2 -9 -25 137.546 50.3611 10 2 10 -24 8507.18 221.601 14 2 10 -24 11780.7 270.890 7 2 10 -23 57.6939 48.9678 14 2 -10 -23 154.444 55.7506 10 2 10 -23 80.0965 61.2429 7 2 10 -22 2396.17 130.978 14 2 10 -22 2349.61 146.693 7 2 -10 -22 2379.70 150.569 10 2 -10 -21 387.678 98.1293 10 2 10 -21 376.776 77.9341 14 2 10 -21 380.663 95.3422 7 2 10 -20 4081.31 214.380 7 2 -10 -20 4136.23 232.061 10 2 10 -20 4186.65 191.137 14 2 10 -19 1201.59 117.588 14 2 10 -19 1221.19 141.814 7 2 -10 -19 1173.91 155.220 10 2 10 -18 1089.88 139.862 7 2 -10 -18 1119.13 157.787 10 2 -10 -17 2010.49 197.953 10 2 10 -17 1951.19 168.352 7 2 -10 -16 2215.63 209.712 10 2 10 -16 2349.62 187.621 7 2 10 -15 23965.0 637.978 7 2 -10 -15 24239.7 704.585 10 2 -10 -14 29546.6 818.992 10 2 10 -14 31077.2 758.732 7 2 -10 -13 35883.8 925.043 10 2 10 -13 36098.0 847.852 7 2 -10 -12 80270.9 1666.09 10 2 10 -12 80307.1 1576.61 7 2 10 -11 9880.37 372.944 7 2 -10 -11 9675.03 418.786 10 -2 -10 10 16761.9 459.292 13 2 -10 -10 17079.1 571.842 10 2 10 -10 17036.5 518.087 7 -2 -10 9 1476.34 134.601 13 2 10 -9 1674.92 162.797 7 -2 -10 8 48937.5 1043.48 13 2 -10 -8 51456.2 1149.04 10 2 10 -8 49952.0 1091.23 7 -2 -10 7 13382.3 431.797 13 2 -10 -7 13421.8 480.329 10 2 10 -7 13674.5 458.132 7 -2 -10 6 207.591 86.8157 13 2 10 -6 308.026 107.010 7 2 -10 -6 183.806 110.417 10 2 10 -5 1153.70 148.793 7 -2 -10 5 1272.96 146.907 13 2 -10 -5 1440.40 165.208 10 2 10 -4 2734.63 205.145 7 -2 -10 4 2621.38 200.569 13 -2 10 4 2757.85 213.626 7 2 -10 -4 2563.77 201.371 10 2 10 -3 11097.0 421.314 7 -2 10 3 11492.0 423.575 7 -2 -10 3 11516.5 421.239 13 2 -10 -3 11468.3 417.177 10 -2 10 2 21741.5 610.760 7 2 10 -2 21284.0 619.258 7 -2 10 2 21056.7 461.908 9 -2 -10 2 22051.7 627.788 13 -2 10 1 19776.0 575.397 7 -2 10 1 20409.8 443.996 9 2 10 -1 19980.2 598.971 7 -2 10 0 128798. 2337.81 7 2 10 0 124136. 2373.37 7 -2 10 0 128524. 2160.84 9 -2 10 -1 2054.34 119.151 9 -2 10 -1 1826.53 166.021 7 -2 10 -2 19931.5 552.949 7 2 10 2 18959.2 598.354 7 -2 -10 -2 19544.8 610.839 10 -2 10 -2 18803.1 443.559 9 -2 10 -3 11211.4 385.746 7 2 10 3 10159.1 425.359 7 -2 -10 -3 11085.0 446.355 10 -2 10 -3 10343.9 300.119 9 -2 10 -4 65391.3 1304.12 7 -2 -10 -4 64679.8 1409.41 10 -2 10 -4 64061.5 1187.97 9 -2 10 -5 1402.83 140.162 7 -2 -10 -5 1603.07 201.481 10 -2 10 -5 1512.73 120.955 9 -2 -10 -6 2878.46 256.053 10 -2 10 -6 3148.50 164.146 9 -2 10 -6 3018.87 191.497 7 -2 -10 -7 110272. 2147.19 10 -2 10 -7 106483. 1905.06 9 -2 10 -7 108942. 1986.07 7 -2 10 -8 15998.0 411.050 12 -2 -10 -8 15895.5 575.589 10 -2 10 -8 15627.8 422.497 9 -2 10 -8 15205.9 462.052 7 -2 10 -9 94702.0 1694.52 12 -2 10 -9 94023.5 1768.84 7 -2 -10 -9 95392.1 1941.93 10 -2 10 -10 230690. 3866.20 12 -2 -10 -10 230732. 4132.44 10 -2 10 -10 233243. 3942.01 7 -2 10 -11 92629.7 1686.70 12 -2 -10 -11 92564.7 1923.98 10 -2 10 -11 93651.1 1751.43 7 -2 10 -12 6721.52 265.900 12 -2 -10 -12 6703.55 383.232 10 -2 10 -12 6932.30 290.953 7 -2 10 -13 34150.1 762.480 12 -2 10 -13 34758.9 801.336 7 -2 -10 -13 34276.9 942.349 10 -2 -10 -14 4443.67 317.389 10 -2 10 -14 4322.26 225.270 12 -2 10 -14 4530.65 234.057 7 -2 10 -15 3515.63 208.104 12 -2 10 -15 3429.49 207.238 7 -2 -10 -15 3361.06 278.337 10 -2 10 -16 4404.35 232.438 12 -2 10 -16 3816.68 163.587 11 -2 10 -16 4642.19 231.627 7 -2 -10 -16 4423.14 309.677 10 -2 10 -17 497.736 105.771 7 -2 10 -17 428.265 117.678 12 -2 10 -17 400.448 62.2048 11 -2 -10 -17 576.415 167.572 10 -2 10 -18-5.74097 79.0802 7 -2 -10 -18 63.7839 137.670 10 -2 10 -19 3401.07 188.603 7 -2 -10 -19 3503.76 249.830 10 -2 10 -20 33.5617 70.9271 7 -2 -10 -20 77.4792 110.598 10 -2 10 -21 793.390 95.8240 7 -2 -10 -21 659.226 128.132 10 -2 10 -22 3839.59 161.442 7 -2 -10 -22 4151.43 210.635 10 -2 -10 -23 4533.51 190.713 10 -2 10 -23 3958.62 143.243 7 -2 -10 -24 8698.54 238.734 10 2 11 -23 1726.56 95.8049 7 2 11 -22 2588.68 108.087 14 2 -11 -22 2501.55 119.128 10 2 11 -21 7315.07 218.512 14 2 11 -21 7808.09 255.596 7 2 -11 -21 7020.59 246.200 10 2 11 -20 2534.48 132.657 14 2 11 -20 2754.43 162.508 7 2 -11 -20 2572.21 162.857 10 2 11 -19 6580.74 227.878 14 2 11 -19 6512.64 261.174 7 2 -11 -19 6316.61 274.149 10 2 11 -18 76.8630 90.9586 7 2 11 -18 96.0982 65.8944 14 2 -11 -18 65.3054 97.5588 10 2 -11 -17 3882.37 241.870 10 2 11 -17 4132.01 225.643 7 2 -11 -16 13052.1 463.638 10 2 11 -16 13372.7 429.005 7 2 11 -15 111.098 101.089 7 2 -11 -15 51.2534 112.606 10 2 11 -14 52351.0 1104.91 7 2 -11 -14 50625.0 1163.02 10 2 -11 -13 11861.7 459.888 10 2 11 -13 12114.8 423.162 7 2 -11 -12 23100.1 684.536 10 2 11 -12 23351.8 630.019 7 2 11 -11 26370.3 687.870 7 2 -11 -11 25950.0 740.429 10 2 -11 -10 46303.4 1087.45 10 2 11 -10 45417.2 1026.62 7 2 -11 -9 276188. 4788.38 10 2 11 -9 278608. 4725.88 7 -2 -11 8 37765.7 839.504 13 2 -11 -8 38386.3 947.926 10 2 11 -8 37287.0 898.560 7 -2 -11 7 1990.58 160.656 13 2 -11 -7 2055.09 200.456 10 2 11 -7 1820.32 184.214 7 2 11 -6 6914.25 328.142 7 2 -11 -6 6577.16 332.476 10 -2 -11 6 6564.42 294.518 13 -2 11 6 6559.78 342.773 7 2 11 -5 5187.64 288.095 7 -2 11 5 5393.89 305.376 7 2 -11 -5 5611.16 301.503 10 -2 -11 5 5254.71 271.438 13 2 11 -4 6034.82 313.856 7 -2 -11 4 6123.10 299.298 13 -2 11 4 6024.41 314.486 7 2 11 -3 28853.5 776.180 7 -2 11 3 30408.0 787.203 7 -2 -11 3 29157.8 767.893 13 -2 11 2 4433.61 262.846 7 -2 -11 2 4401.45 267.236 13 2 11 -2 4273.76 272.311 7 -2 11 2 4405.40 172.409 9 -2 11 1 19229.3 449.776 9 -2 11 1 19901.9 590.375 7 -2 -11 1 19518.7 603.526 13 2 11 -1 20317.8 618.693 7 -2 11 0 2353.06 193.829 7 2 11 0 2140.03 208.688 7 -2 11 0 2309.22 132.961 9 -2 11 -1 21811.9 615.108 7 2 11 1 21138.7 657.280 7 -2 11 -1 22012.7 497.648 9 -2 11 -2 20461.0 583.454 7 2 11 2 19390.2 627.083 7 -2 11 -2 19998.6 471.353 9 -2 11 -3 898.985 96.9665 9 -2 11 -3 977.952 134.104 7 2 11 3 830.029 164.250 7 -2 -11 -3 1149.61 191.346 10 -2 11 -4 484.150 84.0510 9 -2 11 -4 419.677 106.363 7 2 11 4 461.451 154.368 7 -2 -11 -4 418.371 159.166 10 -2 11 -5 62.8255 87.6998 7 -2 11 -5 164.206 77.9110 9 -2 -11 -5 186.707 151.398 10 -2 11 -6 109.020 82.8710 9 -2 11 -6 137.293 87.4414 7 -2 11 -7 18650.9 466.040 12 -2 -11 -7 20123.0 664.796 10 -2 11 -7 19343.2 501.223 9 -2 11 -7 20147.3 552.644 7 -2 11 -8-10.6267 95.2617 9 -2 11 -8 127.025 73.7756 12 -2 11 -8 197.152 89.5728 7 -2 -11 -8 156.727 146.888 10 -2 11 -9 4131.16 194.401 12 -2 11 -9 4100.91 228.534 7 -2 -11 -9 4344.48 308.823 10 -2 11 -9 3876.57 214.767 9 -2 11 -10 24945.9 586.428 12 -2 -11 -10 25920.2 786.102 10 -2 11 -10 25746.6 648.388 7 -2 11 -11 395.623 99.5505 7 -2 11 -11 370.603 96.3552 12 -2 -11 -11 267.490 168.692 10 -2 11 -12 23134.2 569.435 12 -2 -11 -12 23090.6 732.852 10 -2 11 -12 23664.8 609.574 7 -2 11 -13 106.102 86.1981 12 -2 -11 -13 201.087 158.639 10 -2 11 -13 151.723 84.0524 7 -2 11 -14 5960.52 256.256 12 -2 -11 -14 6074.44 351.283 10 -2 11 -14 6212.08 271.432 7 -2 11 -15 4545.41 226.204 12 -2 11 -15 4771.56 232.777 7 -2 -11 -15 4905.82 315.373 10 -2 -11 -16 11423.9 458.829 10 -2 11 -16 10975.2 361.432 7 -2 11 -17 1438.00 132.486 7 -2 -11 -17 1550.85 188.320 10 -2 -11 -18 2081.57 200.275 10 -2 11 -18 2194.63 149.523 7 -2 11 -19 12225.5 348.729 7 -2 -11 -19 12176.0 422.346 10 -2 11 -20 16403.7 403.330 7 -2 -11 -20 16154.6 473.098 10 -2 -11 -21 3294.90 184.935 10 -2 11 -21 3501.85 145.756 7 -2 11 -22 1471.49 79.9322 7 -2 -11 -22 1859.59 123.966 10 2 11 23 1051.48 89.0995 7 -2 -11 -23 931.871 73.0401 10 2 12 -22 6829.45 190.020 7 2 12 -21 292.742 62.5649 7 -2 12 21 285.624 58.1242 7 2 12 -20 924.723 94.0335 7 2 -12 -20 747.825 78.9350 10 -2 12 20 854.781 104.365 7 2 -12 -19 16637.0 425.062 10 2 12 -19 15463.3 360.846 14 2 12 -18 78.9506 47.8863 14 2 12 -18 94.0287 80.9971 7 2 -12 -18 122.292 84.7039 10 2 -12 -17 15017.1 450.665 10 2 12 -17 16093.6 441.620 7 2 12 -17 15118.4 375.697 14 2 -12 -16 1569.25 157.582 10 2 12 -16 1670.94 153.413 7 2 -12 -15 26154.7 687.005 10 2 12 -15 25970.7 648.238 7 2 -12 -14 5450.54 287.675 10 2 12 -14 5721.02 272.576 7 2 -12 -13 6662.98 321.064 10 2 12 -13 6330.22 289.643 7 2 -12 -12 2330.06 206.619 10 2 12 -12 2390.70 190.014 7 2 -12 -11 40351.4 974.087 10 2 12 -11 40286.8 926.274 7 2 12 -10 194.803 117.174 7 2 -12 -10 350.132 126.761 10 -2 12 9 17057.9 584.490 7 2 -12 -9 16876.1 553.276 10 2 12 -9 16954.6 532.038 7 -2 12 8 2412.82 227.133 7 2 -12 -8 2043.57 201.291 10 2 12 -8 2058.38 195.556 7 -2 12 7 45528.7 1084.88 7 -2 -12 7 44050.8 950.522 13 2 -12 -7 45320.9 1056.81 10 2 12 -7 44627.9 1031.60 7 -2 -12 6 9154.27 345.014 13 -2 12 6 9497.67 411.516 7 2 12 -6 9400.40 390.689 7 2 12 -5 1921.77 198.631 7 -2 12 5 1960.81 203.558 7 -2 -12 5 2087.76 172.357 13 2 12 -4 8366.91 380.346 7 -2 -12 4 8729.22 356.228 13 -2 12 4 8969.12 394.116 7 2 12 -3 2604.44 224.928 7 -2 12 3 2416.33 210.914 7 -2 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20867.8 682.800 10 -2 12 -8 19579.0 484.691 12 -2 12 -8 21326.9 569.067 7 -2 -12 -9 3580.06 287.241 10 -2 12 -9 2904.24 165.433 12 -2 12 -9 3378.06 206.840 7 -2 12 -10 13384.5 385.242 12 -2 12 -10 13864.7 431.735 7 -2 -12 -10 14153.3 543.382 10 -2 -12 -11 39923.8 1015.41 10 -2 12 -11 39527.0 869.106 7 -2 12 -11 38402.3 818.032 12 -2 12 -12 2053.00 146.952 12 -2 -12 -12 2147.49 232.305 10 -2 12 -12 2164.36 166.949 7 -2 12 -13 1419.57 133.889 12 -2 -12 -13 1584.31 209.242 10 -2 12 -13 1434.54 137.991 7 -2 -12 -14 4814.37 304.723 10 -2 12 -14 4754.96 216.715 12 -2 12 -14 5112.69 234.130 7 -2 12 -15 70.6761 74.8322 7 -2 -12 -15 30.4365 130.971 10 -2 -12 -16 8528.70 370.223 10 -2 12 -16 8554.97 291.028 7 -2 -12 -17 1191.35 160.112 10 -2 12 -17 1198.13 110.947 7 -2 12 -18 1451.53 111.379 7 -2 -12 -18 1467.77 157.362 10 -2 12 -19 291.995 63.3546 7 -2 -12 -19 328.202 101.963 10 -2 12 -20 70.6476 40.8447 7 -2 -12 -20 29.2965 72.1063 10 2 12 21 14491.4 379.102 7 -2 -12 -21 13043.7 340.332 10 2 13 -20 436.590 59.9157 7 -2 13 19 1251.93 96.4356 7 2 13 -19 1367.92 99.1592 7 2 13 -18 344.043 76.5271 7 -2 13 18 281.957 75.4499 7 -2 13 17 188.648 89.9896 7 2 13 -17 177.715 72.0874 7 2 -13 -17 130.472 66.1737 10 2 13 -16 110.728 80.0269 7 -2 13 16 109.979 91.9783 7 2 -13 -16 38.1423 71.7874 10 2 13 -15 8941.09 249.589 14 2 -13 -15 9462.19 333.122 10 2 13 -15 9887.07 327.468 7 -2 13 14 16273.7 512.150 7 2 -13 -14 15690.9 467.032 10 2 13 -14 15767.8 454.393 7 -2 13 13 2407.12 206.137 7 2 -13 -13 2488.39 185.601 10 2 13 -13 2557.08 181.371 7 -2 13 12 1830.84 190.693 7 2 -13 -12 1458.92 158.925 10 2 13 -12 1441.77 154.042 7 -2 13 11 14972.9 516.836 7 2 13 -11 14831.0 464.062 7 2 -13 -11 14915.9 484.656 10 -2 13 10 5722.36 312.824 7 2 -13 -10 5308.36 283.173 10 2 13 -10 5401.44 275.556 7 -2 13 9 52201.4 1171.10 7 2 13 -9 49702.3 1095.30 7 -2 13 8 3898.41 264.138 7 2 13 -8 4100.13 252.104 7 -2 13 7 11588.6 452.282 7 2 13 -7 10864.1 416.315 7 -2 13 6 1952.75 197.153 7 -2 -13 6 1867.73 144.435 13 2 13 -6 1851.96 186.568 7 2 13 -5 44304.8 1045.03 7 -2 13 5 46930.4 1078.81 7 -2 -13 5 45071.0 975.890 13 2 13 -4 61524.4 1335.08 7 -2 13 4 63623.4 1348.46 7 -2 -13 4 60418.7 1261.33 13 2 13 -3 29888.1 804.065 7 -2 -13 3 29042.4 748.366 13 -2 13 3 30751.0 802.052 7 2 13 -2 29805.1 813.981 7 -2 13 2 30943.0 801.970 7 -2 -13 2 30112.7 777.980 13 -2 13 1 114.431 106.480 7 -2 -13 1 192.501 110.647 13 2 13 -1 37.9287 119.932 7 2 13 0 700.806 168.458 7 -2 13 0 607.701 134.832 7 -2 -13 0 981.370 154.898 13 -2 13 -1 39634.3 930.117 7 2 13 1 38098.4 984.024 7 -2 -13 -1 38868.5 959.677 13 2 13 2 649.830 165.437 7 -2 13 -2 824.236 137.838 7 2 13 3 7886.10 393.233 7 -2 13 -3 8738.01 353.605 7 2 13 4 33756.7 924.791 7 -2 13 -4 35980.4 838.071 7 2 13 5 13307.8 525.919 7 -2 13 -5 13856.3 447.267 7 2 13 6 48917.1 1171.84 7 -2 13 -6 45980.8 911.196 12 2 13 7 24486.2 746.223 7 -2 -13 -7 25878.4 759.088 10 -2 13 -7 25251.0 633.666 7 -2 13 -7 23234.9 534.029 12 -2 -13 -8 24800.5 737.208 10 -2 13 -8 22731.5 532.688 12 -2 13 -8 24965.6 620.793 7 2 13 8 24212.6 739.770 7 -2 13 -9 14433.0 388.859 12 2 13 9 15453.8 572.292 7 -2 -13 -9 15966.0 565.373 10 -2 13 -9 15534.5 453.068 7 2 13 10 80664.8 1711.45 7 -2 -13 -10 85237.4 1705.11 10 -2 13 -10 85734.5 1549.48 7 2 13 11 2987.49 265.306 7 -2 13 -11 2530.31 150.472 12 -2 -13 -11 3245.62 260.110 10 -2 13 -11 3114.02 187.475 7 2 13 12 21133.9 672.117 7 -2 -13 -12 21203.0 650.231 10 -2 13 -12 22033.5 545.795 7 -2 -13 -13 2455.44 217.388 10 2 13 13 2128.29 225.341 7 -2 13 -13 2202.15 151.881 7 -2 -13 -14 58.5672 112.995 10 -2 13 -14 30.5419 68.5812 7 2 13 14 101.778 126.946 7 2 13 15 1571.99 187.346 7 -2 -13 -15 1666.71 172.694 10 -2 13 -15 1562.32 121.193 7 2 13 16 5605.97 292.132 7 -2 13 -16 5736.02 209.623 7 -2 -13 -16 5696.77 270.553 10 2 13 17 9064.16 345.734 7 -2 13 -17 8706.97 254.261 7 -2 -13 -17 8422.89 313.603 10 2 13 18 13790.7 413.967 7 -2 13 -18 12948.4 314.436 7 -2 -13 -18 13774.7 384.863 10 -2 -13 -19 13727.1 340.424 10 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0 28670.1 676.224 1 -3 2 0 28877.2 593.294 4 3 -2 0 27631.3 566.775 2 -3 2 0 28817.5 560.413 5 3 2 0 29548.6 591.978 5 3 -2 0 30314.5 548.116 3 3 2 0 29173.9 655.636 2 3 -2 0 29076.7 570.218 4 3 2 1 307031. 4994.32 2 -3 2 -1 302538. 4899.11 4 3 2 1 298753. 4915.50 4 3 -2 1 305983. 4873.81 4 -3 -2 -1 299983. 5006.69 1 3 2 1 297103. 4889.89 5 3 -2 1 300759. 4867.66 2 3 -2 2 189047. 3069.79 4 3 2 2 185118. 3192.59 2 3 -2 2 186429. 3083.53 2 3 2 2 180532. 3109.81 4 -3 -2 -2 177788. 3191.10 1 -3 2 -2 185957. 3091.80 4 3 -2 2 192450. 3016.13 3 3 2 2 187515. 3083.38 5 -3 2 -2 187094. 3032.43 5 -3 2 -3 46.4137 23.2901 5 3 -2 3 25.7721 30.5443 4 3 2 3 33.1244 41.2877 4 -3 2 -3 3.06048 35.6982 4 -3 2 -4 79514.5 1398.36 4 3 2 4 82197.2 1435.38 4 3 -2 4 81808.3 1463.85 1 3 -2 4 79115.2 1377.63 4 3 2 4 79841.1 1385.48 5 3 -2 5 34708.8 753.730 1 3 2 5 34900.4 703.083 4 3 2 5 34848.3 823.791 1 3 2 5 33791.8 649.964 5 3 -2 5 34518.8 650.427 4 3 -2 6 97695.2 1649.80 4 3 -2 6 102543. 1822.17 1 3 2 6 97210.5 1713.82 4 3 2 6 99703.8 1889.00 1 3 2 6 95760.7 1646.88 5 3 2 7 11202.9 321.714 4 3 -2 7 11714.2 407.814 1 3 2 7 11045.6 271.003 5 3 2 8 194.824 30.6886 5 3 2 8 187.326 99.6850 1 3 -2 8 86.7308 27.4054 4 3 -2 8 185.285 86.8951 1 3 2 8 128.746 42.5260 4 3 2 8 339.373 34.3489 3 3 2 9 2490.21 133.215 4 3 -2 9 2710.63 99.5993 4 3 2 9 2872.88 235.837 1 3 -2 9 2881.72 218.499 1 3 2 9 2429.00 88.0606 5 3 2 9 2388.76 81.0629 3 -3 -2 -10 25821.6 697.911 14 3 2 10 26707.9 582.330 4 -3 -2 -11 11189.1 424.346 14 3 2 11 11175.4 317.200 4 -3 -2 -11 11184.6 307.294 11 -3 -2 -12 60295.8 1301.27 14 -3 -2 -12 60498.2 1196.74 6 -3 -2 -12 60976.6 1120.95 11 -3 -2 -13 75872.9 1560.48 14 -3 2 -13 70635.2 1485.40 14 -3 2 -13 73266.8 1385.06 7 -3 -2 -13 75198.8 1451.00 6 -3 -2 -13 75556.8 1369.21 11 -3 2 -14 25215.5 695.987 14 -3 -2 -14 25957.2 744.605 14 -3 -2 -14 24917.2 657.202 6 -3 2 -14 27194.8 568.049 12 -3 2 -14 24102.3 605.037 7 -3 -2 -14 25336.9 596.007 11 -3 2 -15 1742.93 179.147 14 -3 -2 -15 1841.59 209.408 14 -3 -2 -15 1622.66 154.887 6 -3 2 -15 1621.80 118.579 12 -3 2 -15 1695.50 140.695 7 -3 -2 -15 1749.41 141.510 11 -3 2 -16 15781.9 533.394 14 -3 -2 -16 14780.8 558.957 14 -3 2 -16 15144.8 399.286 12 -3 -2 -16 14665.4 491.643 6 -3 2 -16 14808.4 452.065 7 -3 -2 -16 15516.9 445.149 11 -3 2 -17 1175.73 165.492 14 -3 2 -17 1256.76 117.971 12 -3 2 -17 1249.76 139.291 7 -3 -2 -17 1175.16 191.281 14 -3 2 -17 1205.95 129.223 11 -3 -2 -17 1263.15 156.085 6 -3 -2 -18 9754.96 453.136 14 -3 2 -18 10693.8 435.957 14 -3 -2 -18 10271.7 406.758 6 -3 2 -18 9746.09 318.228 12 -3 2 -18 9471.34 363.863 7 -3 -2 -18 10415.5 373.303 11 -3 2 -18 9401.21 338.071 11 -3 2 -19 499.559 145.822 14 -3 -2 -19 620.609 175.686 14 -3 -2 -19 849.848 148.707 11 -3 2 -19 410.473 94.8015 12 -3 2 -19 446.118 108.231 11 -3 2 -19 483.416 108.733 6 -3 -2 -19 447.915 126.094 6 -3 -2 -20 71883.7 1547.60 14 -3 2 -20 69483.9 1472.14 14 -3 -2 -20 66395.5 1426.86 6 -3 -2 -20 69740.6 1406.28 11 -3 2 -20 67717.8 1350.96 11 -3 2 -20 67830.4 1392.76 6 -3 2 -21 3863.49 271.673 14 -3 -2 -21 3593.89 245.317 6 -3 -2 -21 4224.44 312.743 11 -3 2 -21 3789.93 222.574 11 -3 2 -21 4505.54 249.569 6 -3 -2 -21 3807.64 297.724 14 -3 2 -22 78.8166 122.166 14 -3 -2 -22 136.120 158.176 14 -3 -2 -22 1202.17 258.230 11 -3 2 -22 234.165 127.772 11 -3 2 -22 842.838 125.289 6 -3 -2 -23 7987.06 384.876 14 -3 2 -23 7103.36 317.049 11 -3 2 -23 7577.57 306.953 6 -3 2 -23 7654.19 349.335 14 -3 2 -24 5719.06 284.583 14 -3 -2 -24 5897.90 315.127 14 -3 2 -24 5078.12 236.815 6 -3 2 -24 5511.57 280.539 11 -3 -2 -25 27568.9 691.208 14 -3 2 -25 26792.6 647.592 14 -3 -2 -25 26177.6 660.543 11 -3 2 -25 25578.9 616.535 11 -3 -2 -26 17402.7 491.957 14 -3 2 -26 17442.9 458.067 14 -3 2 -26 17576.7 453.135 11 -3 2 -27 4641.32 181.118 14 -3 2 -27 5311.03 212.899 11 3 3 -28 8480.99 237.910 14 3 3 -27 497.342 83.1643 14 3 3 -27 467.246 65.8364 6 3 3 -26 1606.87 134.382 14 3 3 -26 1460.07 119.572 6 3 -3 -25 1816.78 125.219 14 3 3 -25 1963.02 157.350 14 3 3 -25 1892.21 145.725 6 3 -3 -24 557.224 95.1185 14 3 3 -24 659.654 116.710 14 3 3 -24 585.809 109.678 6 3 -3 -23 1413.62 134.942 14 3 3 -23 1558.70 155.015 14 3 -3 -23 1380.91 150.985 6 3 -3 -22 1407.80 139.466 14 3 3 -22 1380.55 152.978 14 3 -3 -22 1446.63 162.614 6 3 -3 -21 3068.88 194.361 14 3 3 -21 3040.84 204.157 14 3 3 -21 2970.36 208.196 7 3 -3 -21 3275.38 226.021 6 3 3 -20 454.168 112.782 7 3 -3 -20 304.262 107.422 6 3 -3 -19 79252.9 1544.23 14 3 -3 -19 81384.1 1640.41 6 3 3 -19 84045.6 1594.71 7 3 -3 -18 52319.5 1088.73 14 3 -3 -18 54123.9 1180.32 6 3 3 -18 55173.9 1137.70 7 3 -3 -17 54081.1 1105.02 14 3 3 -17 56341.9 1153.05 7 -3 -3 17 57838.0 1197.25 13 3 3 -16 84.9792 76.2743 7 3 -3 -16 191.692 68.2290 14 -3 -3 16 231.470 97.5460 13 3 -3 -16 98.0646 83.1279 6 3 -3 -15 637.394 84.5169 14 -3 -3 15 884.192 120.991 13 3 3 -15 911.978 108.880 7 3 -3 -15 815.151 117.205 6 3 -3 -14 689.511 81.3241 14 -3 -3 14 636.707 102.682 13 3 3 -14 691.932 92.7703 7 3 3 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3 4 47720.7 845.683 1 3 -3 -4 47111.4 878.196 3 -3 3 3 16555.9 338.427 1 3 3 -3 17066.3 407.068 4 3 -3 -3 16911.8 375.246 3 3 3 -3 16358.1 414.588 5 -3 3 2 2313.67 126.265 4 3 3 -2 2239.01 123.379 4 -3 -3 2 2231.10 171.111 1 3 -3 -2 2428.01 106.807 3 3 3 -2 2362.79 130.458 5 3 -3 -1 121958. 2025.01 4 3 3 -1 119889. 2079.12 4 3 3 -1 118038. 2164.46 2 3 -3 -1 123811. 2015.08 3 -3 3 1 116204. 2067.94 4 3 3 -1 119062. 2082.38 5 -3 -3 1 127228. 2205.27 1 3 -3 0 346016. 5532.55 4 -3 -3 0 340470. 5709.57 1 -3 3 0 336566. 5574.63 4 3 -3 0 350005. 5514.28 3 3 3 0 339729. 5669.72 2 3 3 0 341637. 5587.61 5 3 -3 1 70618.4 1197.57 4 -3 3 -1 67958.6 1234.11 4 3 -3 1 66730.2 1159.48 2 -3 -3 -1 69316.3 1354.12 1 3 3 1 68322.2 1244.37 5 3 3 1 69679.3 1328.96 2 3 3 2 999999. 15846.9 2 -3 -3 -2 975205. 15850.1 1 -3 3 -3 5794.98 194.650 4 3 3 3 5953.82 266.728 2 3 3 3 5604.27 211.519 4 -3 3 -3 5716.05 150.588 5 3 3 3 5652.87 200.751 5 3 -3 4 205607. 3247.37 4 -3 3 -4 197566. 3280.61 4 3 3 4 198234. 3325.28 4 3 -3 4 205661. 3308.13 1 -3 3 -4 195731. 3180.28 5 3 3 4 196204. 3294.76 5 3 -3 5 147676. 2375.95 4 3 -3 5 146317. 2475.33 1 -3 3 -5 143721. 2404.41 4 3 3 5 141539. 2456.41 4 3 3 5 138384. 2417.32 5 3 -3 6 12221.9 381.665 1 -3 3 -6 11770.2 303.094 4 3 3 6 11891.5 343.739 4 3 3 7 40507.7 842.035 4 3 3 7 42902.3 1017.30 1 3 -3 7 43796.2 935.848 1 3 3 7 41542.2 800.095 5 3 -3 8 12669.8 440.548 1 3 3 8 12601.6 488.598 1 3 3 8 12092.6 316.281 5 3 3 9 7719.01 208.750 3 3 -3 9 8348.37 363.698 1 3 3 9 7750.88 225.940 5 3 -3 10 25904.7 748.033 1 3 3 10 25563.5 587.537 4 -3 -3 -10 25066.2 699.768 14 -3 -3 -11 18566.9 591.660 14 3 3 11 18668.0 472.931 4 -3 -3 -11 19423.7 451.479 11 -3 3 -11 18968.5 413.105 9 -3 -3 -12 5156.23 300.382 14 -3 3 -12 4637.81 245.350 14 -3 -3 -12 4970.73 245.296 6 -3 -3 -12 5488.36 211.183 11 -3 3 -12 4963.38 203.018 7 -3 3 -12 4981.55 170.635 9 -3 -3 -13 14968.7 532.607 14 -3 3 -13 13737.3 459.877 14 -3 3 -13 14430.0 400.557 7 -3 -3 -13 14368.6 461.521 6 -3 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4579.41 208.514 7 -4 -7 8 43205.1 979.046 13 -4 7 8 40369.2 979.644 8 -4 7 7 403.322 74.3220 9 -4 -7 7 533.286 127.630 13 -4 7 7 483.425 127.944 8 4 7 -7 544.875 79.2193 7 -4 -7 6 13217.1 463.055 13 -4 7 6 12377.6 453.766 8 -4 7 6 13017.8 355.429 9 -4 7 5 43399.3 1020.40 8 -4 -7 5 45954.7 1043.93 13 -4 7 5 45034.4 885.516 9 -4 7 4 3840.74 243.543 8 -4 -7 4 4085.79 254.551 13 -4 7 4 3888.53 179.818 9 -4 7 3 34638.9 844.725 8 -4 -7 3 34971.6 875.553 13 -4 7 3 34924.3 723.974 9 -4 7 2 59633.5 1252.17 8 -4 7 2 59908.4 1128.38 9 -4 7 1 10540.4 386.254 8 -4 7 1 10428.7 311.095 9 -4 7 0 121.141 70.3601 9 -4 7 0 100.528 96.9690 8 -4 7 -1 5899.48 275.454 8 -4 -7 -1 5800.26 313.866 13 -4 7 -1 5867.81 225.857 9 -4 7 -2 40294.7 886.217 8 -4 7 -2 39582.5 806.194 9 -4 7 -3 1766.88 151.558 8 -4 -7 -3 1377.70 144.421 10 -4 7 -3 1513.54 120.668 9 -4 -7 -4 35692.4 875.795 10 -4 7 -4 38896.7 785.264 9 -4 -7 -5 3317.86 216.833 10 -4 -7 -6 36084.7 871.772 10 -4 -7 -7 99790.9 1949.00 10 -4 7 -7 102122. 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317.670 9 4 10 -2 870.814 130.307 7 -4 -10 2 818.594 182.867 13 -4 10 2 877.479 88.7739 9 4 10 -1 38525.9 915.349 7 -4 -10 1 40613.5 1032.04 13 -4 10 1 39012.4 776.420 9 4 10 0 88837.0 1740.03 7 -4 -10 0 89912.8 1865.62 13 -4 10 0 88496.4 1572.82 9 4 10 1 27460.2 729.346 7 -4 -10 -1 27896.9 825.821 13 -4 10 -1 26946.9 591.013 9 -4 -10 -2 742.360 183.259 13 4 10 2 685.228 132.348 7 -4 10 -2 1118.76 108.094 9 -4 10 -3 57.4693 72.1557 9 4 10 3-12.8730 98.4447 7 4 10 4 5449.03 296.868 7 -4 10 -4 4976.03 210.723 9 4 10 5 969.034 153.590 7 -4 10 -5 853.196 108.200 9 4 10 6 11179.8 443.430 7 -4 10 -6 11237.9 338.448 9 4 10 7 11019.8 445.287 7 -4 -10 -7 10463.8 435.984 10 -4 10 -7 11255.5 337.064 9 4 10 8 3650.75 261.897 7 -4 -10 -8 3844.61 261.535 10 4 10 9 878.630 152.182 7 -4 -10 -9 1400.06 175.280 10 -4 -10 -10 10868.6 435.033 10 -4 10 -11 8092.71 290.455 12 -4 -10 -11 7602.91 358.161 10 -4 10 -11 7574.86 282.578 9 -4 10 -12 5089.99 226.386 12 -4 -10 -12 4751.45 277.816 10 -4 10 -12 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43265.5 912.364 7 -4 -11 11 34786.2 788.826 13 4 11 -11 34204.6 771.641 7 -4 -11 10 7863.38 318.502 13 4 11 -10 7346.95 292.325 7 -4 -11 9 2767.40 201.708 13 4 11 -9 2650.03 176.680 7 4 11 -8 40.8838 82.0391 7 -4 -11 8 43.1746 106.041 13 4 11 -7 107.472 82.7529 7 -4 -11 7 4.23000 104.535 13 -4 -11 6 14364.3 505.210 13 4 11 -6 14491.9 452.285 7 -4 -11 5 1515.60 181.511 13 4 11 -5 1455.09 145.877 7 -4 -11 4 2274.56 223.505 13 -4 11 4 2614.57 128.010 9 4 11 -4 2545.47 188.222 7 4 11 -3 19656.5 571.478 7 -4 -11 3 19879.8 647.393 13 -4 11 3 19719.5 447.973 9 4 11 -2 731.306 124.979 7 -4 -11 2 1080.33 189.360 13 -4 11 2 896.469 90.7998 9 4 11 -1 27890.3 732.521 7 -4 -11 1 29058.1 827.632 13 -4 11 1 27558.3 595.054 9 4 11 0 17780.5 557.167 7 -4 -11 0 18260.5 633.815 13 -4 11 0 18084.3 437.724 9 4 11 1 42166.9 987.076 7 -4 -11 -1 43536.5 1092.37 13 -4 11 -1 41129.4 826.464 9 4 11 2 28006.9 750.598 7 -4 -11 -2 27818.4 829.707 13 -4 11 -2 27354.1 602.596 9 4 11 3 13339.4 479.312 7 -4 -11 -3 13945.6 556.666 13 -4 11 -3 13346.9 365.915 9 4 11 4 21466.4 638.392 7 -4 -11 -4 21437.6 714.503 13 -4 11 -4 20709.2 498.536 9 4 11 5 7207.74 347.632 7 -4 11 -5 7571.33 269.251 9 4 11 6 1206.72 168.524 7 -4 11 -6 1216.02 122.595 9 4 11 7 5660.35 308.329 7 -4 11 -7 5642.10 239.275 9 4 11 8 15082.4 523.172 7 -4 11 -8 14856.5 415.405 9 4 11 9 44.9783 100.592 7 -4 -11 -9 21.8816 107.631 10 4 11 10 11698.1 449.245 7 -4 11 -10 11981.8 352.718 12 -4 -11 -10 11949.4 444.290 10 4 11 11 945.759 148.183 7 -4 11 -11 752.016 106.568 12 -4 -11 -11 1082.85 151.035 10 4 11 12 3847.32 246.781 7 -4 11 -12 3853.86 192.714 12 -4 -11 -12 4075.49 243.558 10 -4 11 -12 3950.33 207.938 9 4 11 13 1375.42 160.757 7 -4 11 -13 1470.20 132.680 12 -4 -11 -13 1456.10 154.141 10 4 11 14 4928.37 260.197 7 -4 11 -14 4964.42 214.488 12 -4 -11 -14 4797.19 243.011 10 4 11 15 6222.46 276.900 7 -4 11 -15 6568.03 240.987 12 -4 -11 -15 5701.64 254.496 10 4 11 16 1139.97 125.220 7 -4 11 -16 1160.92 116.057 12 -4 11 -16 1103.89 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621.024 13 4 12 -4 19184.9 550.322 7 -4 -12 3 4242.92 281.648 13 -4 12 3 3948.21 164.048 9 4 12 -3 4109.81 235.405 7 4 12 -2 29228.9 742.025 7 -4 -12 2 30311.7 818.822 13 -4 12 2 29181.4 614.259 9 -4 12 1 328.296 72.1798 9 4 12 -1 248.712 105.740 7 -4 -12 1 491.768 157.371 13 4 12 0 16217.7 518.636 7 -4 12 0 16175.2 409.804 9 -4 -12 0 17362.1 598.132 13 -4 12 -1 295.096 80.2595 9 4 12 1 225.780 104.807 7 -4 -12 -1 275.973 147.664 13 4 12 2 944.131 143.899 7 -4 -12 -2 1045.58 190.371 13 -4 12 -2 861.894 105.137 9 -4 12 -3-43.5542 82.1198 9 4 12 3 91.8070 97.8310 7 -4 -12 -3 70.3682 142.102 13 4 12 4 2193.23 195.658 7 -4 -12 -4 2257.29 250.568 13 4 12 5 11106.9 426.747 7 -4 -12 -5 11808.8 503.800 13 -4 12 -5 11230.5 337.808 9 4 12 6 3504.44 237.271 7 -4 -12 -6 3717.64 289.819 13 -4 12 -6 3432.19 188.774 9 4 12 7 2194.04 197.075 7 -4 12 -7 2488.52 144.389 12 -4 12 -7 2329.43 161.728 9 4 12 8 26753.5 721.068 7 -4 12 -8 26984.6 592.527 12 -4 12 -8 26828.1 625.257 9 -4 12 -9 260.878 98.9101 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1962.42 154.171 9 -5 -7 -5 219.812 137.448 13 -5 -7 -6 7541.25 395.472 13 -5 7 -7 52163.4 1023.62 9 -5 7 -8 40.3510 96.1039 9 -5 7 -9 83898.1 1522.99 9 -5 7 -10 13125.4 371.658 9 -5 7 -11 69931.7 1292.51 9 -5 7 -12 76763.3 1397.19 9 -5 7 -13 36130.5 742.002 9 -5 7 -14 3087.37 182.884 12 -5 7 -14 2842.53 159.365 9 -5 7 -15 6753.09 260.300 12 -5 7 -15 6120.63 228.816 9 -5 -7 -16 1524.69 138.668 13 -5 7 -16 1739.47 142.278 12 -5 7 -16 1490.86 116.744 9 -5 -7 -17 2.33552 60.6621 13 -5 7 -17-17.3137 84.6417 12 -5 7 -17 4.52355 76.3632 11 -5 7 -18 4991.99 208.388 12 -5 7 -18 4725.84 201.624 11 -5 7 -19 837.926 101.152 12 -5 7 -19 757.953 93.2829 11 -5 7 -20 6162.61 209.457 11 -5 7 -21 2930.60 130.835 11 -5 7 -22 11963.2 284.494 11 5 8 -23 5702.05 165.974 14 -5 -8 21 8008.73 281.317 9 -5 -8 20 66.2784 104.206 9 -5 -8 19 4775.57 280.061 9 -5 -8 18 2295.36 228.421 9 -5 -8 17 3697.42 211.753 13 -5 -8 16 12624.8 410.464 13 -5 -8 15 2029.62 174.995 13 -5 -8 14 3945.51 234.352 13 -5 8 14 3658.05 222.772 8 -5 -8 13 1929.90 185.415 13 -5 8 13 1673.34 168.940 8 -5 -8 12 37648.2 874.129 13 -5 8 12 34449.5 866.657 8 -5 -8 11 675.392 147.345 13 -5 8 11 434.772 121.698 8 -5 -8 10 13966.9 481.365 13 -5 8 10 12508.7 467.186 8 -5 -8 9 4895.90 292.799 13 -5 8 9 4961.89 286.602 8 -5 -8 8 25564.8 725.297 13 -5 8 8 25177.4 717.702 8 -5 8 8 26573.1 566.984 9 -5 8 7 27868.7 773.096 8 -5 -8 7 28753.1 794.834 13 -5 8 7 29890.0 628.336 9 -5 8 6 105849. 2069.96 8 -5 -8 6 108454. 2109.63 13 -5 8 6 108090. 1892.58 9 -5 8 5 1749.84 194.766 8 -5 -8 5 1812.92 217.013 13 -5 8 5 1888.25 132.841 9 -5 8 4 13170.4 479.869 8 -5 8 4 13837.7 379.602 9 -5 8 3 52311.5 1171.63 8 -5 8 3 52718.9 1027.15 9 -5 8 2 13407.1 470.597 8 -5 8 2 12691.8 368.989 9 -5 -8 1 2161.34 188.770 9 -5 8 1 2380.74 203.099 8 -5 8 1 1952.94 143.247 9 -5 -8 0 1536.09 162.290 9 -5 8 0 1491.81 173.326 8 -5 -8 0 1379.92 206.388 13 -5 8 0 1567.86 134.516 9 -5 -8 -1 8789.77 348.649 9 -5 8 -1 9310.85 368.232 8 -5 -8 -1 9846.89 454.807 13 -5 8 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248.774 9 -5 -9 20 81.3419 90.0021 9 -5 -9 19 13889.4 456.621 9 -5 -9 18 4664.72 286.991 9 -5 -9 17 1705.60 141.764 13 -5 -9 16 2801.69 178.683 13 -5 -9 15 7168.93 286.128 13 -5 -9 14 34236.2 786.955 13 -5 -9 13 1723.41 166.897 13 -5 -9 12 5885.37 289.673 13 -5 -9 11 35299.6 836.242 13 -5 9 11 32994.4 783.090 8 -5 9 10 10741.4 383.478 8 -5 -9 10 11508.3 426.522 13 -5 -9 9 537.272 140.982 13 -5 9 9 380.674 108.744 8 -5 9 8 64387.0 1340.73 8 -5 -9 8 68129.5 1415.32 13 -5 9 7 13089.2 446.132 8 -5 -9 7 13761.2 508.150 13 -5 9 7 14113.0 345.738 9 -5 9 6 21717.9 609.631 8 -5 -9 6 22395.6 684.668 13 -5 9 6 22149.4 494.414 9 -5 9 5 3615.81 232.922 8 -5 -9 5 3559.40 277.991 13 -5 9 5 3807.91 168.661 9 -5 9 4 1227.06 155.295 8 -5 -9 4 1207.57 193.000 13 -5 9 4 1257.72 107.520 9 -5 9 3 8486.97 350.399 8 -5 -9 3 8724.38 417.123 13 -5 9 3 8538.06 273.571 9 -5 9 2 7633.30 259.498 9 -5 -9 1 13971.3 470.261 9 -5 9 1 14078.3 456.714 8 -5 9 1 13429.7 372.254 9 -5 -9 0 3919.63 234.904 9 -5 9 0 4150.05 244.324 8 -5 9 0 3849.78 186.758 9 -5 -9 -1 3017.31 201.879 9 -5 -9 -1 3235.48 278.926 13 -5 9 -1 2873.16 165.452 9 -5 -9 -2 622.984 172.813 13 -5 9 -2 772.153 105.407 9 -5 9 -3 683.413 107.339 9 -5 -9 -3 629.383 183.117 13 -5 9 -4 56.0619 87.6232 9 -5 -9 -4 47.7414 149.911 13 -5 9 -5 581.298 105.020 9 -5 -9 -5 113.798 153.692 13 -5 9 -6 623.985 110.209 9 -5 -9 -6 733.135 192.587 13 -5 -9 -7 39173.1 1051.34 13 -5 -9 -8 7680.38 411.793 13 -5 -9 -9 4605.25 315.808 13 -5 9 -9 4498.70 213.163 9 -5 9 -10 74421.4 1366.13 9 -5 -9 -10 71654.9 1589.02 13 -5 -9 -11 4671.93 299.602 13 -5 9 -11 4667.71 213.815 9 -5 -9 -12 1857.68 202.830 13 -5 9 -12 2977.41 172.820 9 -5 -9 -13 8932.55 374.863 13 -5 9 -13 8893.39 292.445 9 -5 -9 -14 8595.26 347.909 13 -5 9 -14 8488.64 280.855 9 -5 9 -15 376.489 85.4240 9 -5 -9 -15 345.192 98.8384 13 -5 -9 -16 11809.4 365.415 13 -5 9 -16 12153.0 342.459 12 -5 -9 -17 698.974 88.5029 13 -5 9 -17 629.205 98.1744 12 -5 9 -17 644.361 81.0241 11 -5 9 -18 1813.93 122.845 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5 -6 101815. 1837.18 9 -6 5 -7 381.445 111.375 9 -6 -5 -7 1190.60 154.578 13 -6 -5 -8 46209.8 1052.06 13 -6 5 -8 47164.7 946.750 9 -6 -5 -9 9150.12 361.954 13 -6 5 -9 9181.76 303.949 9 -6 -5 -10 7301.56 307.286 13 -6 5 -10 6926.22 250.120 9 -6 -5 -11 22552.0 587.421 13 -6 5 -11 23312.0 526.441 9 -6 5 -12 2962.33 152.992 9 -6 5 -13 35170.1 704.712 9 -6 5 -14 58.9774 62.1621 9 -6 5 -15 8310.05 266.947 12 -6 5 -15 7666.05 232.805 9 -6 5 -16 6615.92 228.084 12 -6 5 -16 6878.26 254.802 11 -6 5 -17 14.0667 65.0065 12 -6 5 -17 70.6987 82.4246 11 -6 5 -18 3.15468 59.6624 12 -6 5 -18 21.7924 76.9639 11 -6 5 -19 932.724 80.4784 12 6 6 -22 681.883 59.1175 14 -6 -6 22 675.768 124.282 8 -6 -6 21-2.99599 49.5337 9 6 6 -21 34.5377 47.8767 14 -6 -6 21 21.0402 125.320 8 -6 -6 20 2463.99 160.214 9 6 6 -20 2790.11 135.706 14 -6 -6 19 10754.4 376.477 9 -6 6 19 9802.20 313.989 8 -6 -6 18 11453.0 431.878 9 -6 6 18 11576.9 387.156 8 -6 -6 17 23145.3 695.051 9 -6 -6 17 24244.6 633.888 13 -6 6 17 23397.4 650.741 8 -6 -6 16 17596.6 615.098 9 -6 -6 16 18056.0 538.513 13 -6 6 16 17620.2 569.793 8 -6 -6 15 6969.02 398.230 9 -6 -6 15 7365.09 328.378 13 -6 6 15 6851.51 357.568 8 -6 -6 14 7002.06 412.256 9 -6 -6 14 7177.89 326.315 13 -6 6 14 6799.31 362.771 8 -6 -6 13 8089.99 445.848 9 -6 -6 13 8338.83 358.755 13 -6 6 13 7540.43 395.108 8 -6 -6 12 8287.60 458.650 9 -6 -6 12 9211.39 379.074 13 -6 6 12 8865.52 433.135 8 -6 6 11 23414.5 747.259 8 -6 6 11 23329.6 552.035 9 -6 6 10 2.64410 79.9121 9 -6 6 10 591.898 175.076 8 -6 6 9 3618.47 300.791 8 -6 6 9 3697.26 204.077 9 -6 -6 8 188124. 3411.03 9 -6 6 8 179749. 3391.94 8 -6 -6 8 177143. 3368.52 8 -6 6 8 184985. 3153.77 9 -6 -6 7 2533.09 268.102 9 -6 -6 7 2846.91 235.319 13 -6 6 7 2338.92 265.513 8 -6 -6 7 2672.57 240.258 8 -6 6 7 2371.21 182.434 9 -6 -6 6 115876. 2213.95 9 -6 -6 6 110109. 2130.32 13 -6 6 6 110634. 2232.17 8 -6 -6 6 107433. 2158.02 8 -6 6 6 109655. 2015.40 9 -6 -6 5 1714.68 208.709 9 -6 -6 5 1638.59 194.986 13 -6 6 5 1676.59 235.347 8 -6 -6 5 1788.34 188.940 8 -6 6 5 1684.14 160.328 9 -6 6 4 533.026 121.689 9 -6 -6 4 926.909 172.452 9 -6 -6 4 518.410 145.850 13 -6 6 4 534.034 175.142 8 -6 -6 3 4776.66 293.629 9 -6 6 3 4558.08 314.212 8 -6 -6 3 4786.07 297.654 13 -6 6 3 4474.42 244.864 9 -6 -6 2 1981.18 203.105 9 -6 6 2 1957.16 226.645 8 -6 -6 2 1967.61 214.469 13 -6 6 2 1975.08 175.728 9 -6 6 1 95.4077 108.111 9 -6 -6 1 300.043 129.971 9 -6 -6 1 217.522 131.157 13 -6 6 1 387.407 168.598 8 -6 -6 0 34715.2 857.997 9 -6 6 0 35172.0 913.364 8 -6 -6 0 35680.0 920.626 13 -6 6 0 34156.1 799.247 9 -6 -6 -1 14518.1 482.416 9 -6 6 -1 14406.2 521.656 8 -6 -6 -1 14598.4 532.582 13 -6 6 -1 13885.1 436.964 9 -6 -6 -2 8391.17 342.365 9 -6 -6 -2 8036.26 383.160 13 -6 6 -2 7553.95 310.465 9 -6 -6 -3 31497.4 769.044 9 -6 -6 -3 31690.6 855.378 13 -6 -6 -4 15556.3 467.608 9 -6 -6 -4 15286.3 544.237 13 -6 6 -5 751.139 126.038 9 -6 -6 -5 618.992 148.384 13 -6 -6 -6 26716.6 760.767 13 -6 6 -6 27298.1 636.273 9 -6 -6 -7 15266.1 531.653 13 -6 6 -7 15782.5 434.276 9 -6 -6 -8 39388.6 975.177 13 -6 6 -8 41863.6 851.632 9 -6 -6 -9 730.016 137.667 13 -6 6 -9 771.760 112.113 9 -6 -6 -10 17873.0 542.950 13 -6 6 -10 18382.9 455.751 9 -6 -6 -11 78658.2 1527.39 13 -6 6 -11 77794.3 1410.17 9 -6 -6 -12 92610.6 1751.32 13 -6 6 -12 95823.7 1663.29 9 -6 -6 -13 61817.0 1207.45 13 -6 6 -13 63687.7 1152.28 9 -6 6 -14 63432.0 1164.27 12 -6 6 -14 60316.9 1119.30 9 -6 6 -15 2479.24 147.269 12 -6 6 -15 2242.31 124.086 9 -6 6 -16 18975.5 434.543 12 -6 6 -16 16892.9 390.556 9 -6 6 -17 370.084 78.2331 12 -6 6 -18 22.9116 60.7522 12 -6 6 -19 17265.7 375.501 12 -6 6 -21 9290.04 230.462 11 6 7 -21 1630.82 89.2438 14 -6 -7 21 1379.91 142.740 8 -6 -7 20 1046.14 112.666 9 6 7 -20 1219.38 90.4330 14 -6 -7 20 1206.76 166.951 8 -6 -7 19 2200.35 174.408 9 -6 -7 19 2345.63 227.284 8 -6 -7 18 315.908 132.792 9 -6 -7 17 967.544 174.091 9 -6 -7 17 857.022 133.342 13 -6 7 17 761.028 107.722 8 -6 -7 16 76.4536 150.299 9 -6 -7 16 38.7128 107.954 13 -6 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495.478 13 -7 8 4 14685.8 384.647 9 -7 -8 3 8436.32 356.177 9 -7 8 3 7823.90 342.243 8 -7 -8 3 8223.63 367.444 13 -7 8 3 8019.35 269.174 9 -7 -8 2 5379.94 276.904 9 -7 8 2 5341.54 281.411 8 -7 -8 2 5272.45 297.408 13 -7 8 2 4992.95 213.204 9 -7 -8 1 4313.28 242.555 9 -7 8 1 4755.26 269.595 8 -7 -8 1 4230.89 276.485 13 -7 8 1 4205.39 198.143 9 -7 -8 0 14492.9 452.788 9 -7 -8 0 15537.0 522.947 13 -7 8 0 14879.9 401.189 9 -7 -8 -1 3969.64 211.189 9 -7 -8 -1 3792.25 262.912 13 -7 8 -1 3875.31 193.953 9 -7 -8 -2 49817.1 1019.14 9 -7 -8 -2 53228.2 1163.75 13 -7 8 -2 51940.0 998.990 9 -7 -8 -3 14237.9 494.671 13 -7 8 -3 14862.6 394.062 9 -7 -8 -4 5020.06 280.323 13 -7 -8 -5 23204.2 637.860 13 -7 -8 -6 1038.83 141.247 13 -7 -8 -7 1434.57 145.680 13 -7 8 -7 1816.44 134.925 9 -7 -8 -8 8574.97 311.074 13 -7 8 -8 9027.96 274.946 9 -7 -8 -9 26900.5 627.796 13 -7 8 -9 28932.2 590.300 9 -7 -8 -10 13841.2 367.313 13 -7 8 -10 15036.1 359.233 9 -7 -8 -11 3983.00 152.863 13 -7 8 -11 4774.71 173.036 9 -7 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157.891 9 -7 -9 2 14973.2 452.891 9 -7 -9 2 15580.6 506.995 13 -7 9 2 14770.7 373.684 9 -7 9 1 217.490 78.9388 9 -7 -9 1 268.435 96.3013 9 -7 -9 1 184.409 128.309 13 -7 9 0 483.144 90.4811 9 -7 -9 0 324.241 88.1647 9 -7 -9 0 370.110 133.192 13 -7 -9 -1 2253.76 208.465 13 -7 9 -1 2398.42 145.169 9 -7 -9 -2 30368.3 775.548 13 -7 9 -2 29424.7 627.256 9 -7 -9 -3 739.879 148.355 13 -7 9 -3 915.772 105.759 9 -7 9 -4 483.485 91.8925 9 -7 -9 -4 358.516 123.844 13 -7 -9 -5 3415.79 219.012 13 -7 9 -5 3437.92 166.822 9 -7 -9 -6 6848.83 293.233 13 -7 -9 -7 3269.96 195.727 13 -7 -9 -8 3074.99 175.583 13 -7 9 -8 3346.70 155.273 9 -7 -9 -9 13228.0 366.760 13 -7 9 -9 13597.2 339.273 9 -7 -9 -10 583.645 73.3975 13 -7 9 -10 616.055 82.3229 9 -7 9 -11 66.3932 61.4825 9 -7 -9 -11 21.1041 39.3810 13 -7 9 -12 410.574 64.0536 9 -7 9 -12 523.265 72.4529 12 -7 9 -13 1883.63 100.166 12 -7 9 -14 2665.63 109.993 12 -7 9 -15 1239.73 66.7032 12 -7 9 -15 1170.99 64.3273 11 -7 -10 14 179.553 87.3871 9 -7 -10 13 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1768.73 77.1054 12 -8 6 -13 1840.73 85.2605 11 -8 6 -14 5817.75 150.115 11 -8 -7 15 91.5008 64.1921 9 -8 -7 14 154.144 86.1992 9 -8 7 13 76.1030 49.8031 8 -8 -7 12 17272.0 438.242 13 -8 7 12 16816.8 412.669 8 -8 -7 11 252.236 125.839 9 -8 -7 11 470.903 98.6059 13 -8 7 11 406.922 89.1860 8 -8 -7 10 5541.33 230.624 13 -8 7 10 5773.99 237.506 8 -8 -7 9 14819.3 485.829 9 -8 -7 9 16481.0 432.251 13 -8 7 9 16397.7 441.460 8 -8 7 9 14246.9 314.414 9 -8 7 8 98.6895 53.0596 9 -8 -7 8 41.2712 90.8151 13 -8 7 8 95.9681 98.0796 8 -8 -7 7 3931.11 247.109 9 -8 7 7 4333.52 227.532 8 -8 -7 7 4219.75 214.163 13 -8 7 7 4162.74 157.743 9 -8 -7 6 20848.8 586.573 9 -8 7 6 20781.2 549.733 8 -8 -7 6 20614.3 534.445 13 -8 7 6 20637.9 454.144 9 -8 -7 5 4954.32 265.209 9 -8 7 5 5017.33 248.401 8 -8 -7 5 5238.57 245.480 13 -8 7 5 5193.01 192.057 9 -8 7 4 349.713 81.6222 9 -8 -7 4 178.016 110.806 9 -8 -7 4 251.166 101.243 13 -8 7 4 178.823 112.718 8 -8 -7 3 25099.5 629.158 9 -8 7 3 25586.0 633.484 8 -8 -7 3 24995.5 613.224 13 -8 7 3 24352.8 540.892 9 -8 -7 2 134.483 101.950 9 -8 -7 2 313.668 97.8432 13 -8 -7 1 14320.7 414.345 9 -8 -7 1 14335.9 422.969 13 -8 7 1 14719.9 375.533 9 -8 -7 0 12436.8 364.657 9 -8 -7 0 11968.7 377.957 13 -8 7 0 13106.2 343.303 9 -8 -7 -1 31174.1 703.287 13 -8 7 -1 32871.8 659.521 9 -8 -7 -1 30566.1 662.141 9 -8 -7 -2 23657.5 566.739 13 -8 -7 -2 23366.1 514.372 9 -8 -7 -3 14977.4 398.646 13 -8 -7 -4 56628.9 1060.67 13 -8 -7 -5 1663.75 107.396 13 -8 7 -5 1848.33 122.783 9 -8 -7 -6 5781.72 177.983 13 -8 7 -7 1428.35 101.628 9 -8 7 -8 418.254 68.4592 9 -8 7 -9 2086.64 104.051 9 -8 7 -10 7609.08 206.047 12 -8 7 -10 6920.84 191.883 9 -8 7 -11 275.416 47.1744 9 -8 7 -11 231.047 50.5109 12 -8 7 -11 215.638 47.8944 11 -8 7 -12 30998.3 528.578 12 -8 7 -12 30980.3 533.128 11 -8 7 -13 10478.4 228.169 11 -8 -8 12 757.913 115.752 9 -8 -8 11 20869.9 487.595 13 -8 -8 10 1956.04 169.188 9 -8 -8 10 2280.05 143.426 13 -8 -8 9 3479.99 212.333 9 -8 8 9 3878.91 171.597 8 -8 -8 9 3418.44 177.086 13 -8 -8 8 1971.06 173.055 9 -8 8 8 2233.14 140.686 8 -8 -8 8 2246.12 151.069 13 -8 -8 7 809.313 131.706 9 -8 8 7 753.697 103.783 8 -8 -8 7 593.695 105.873 13 -8 8 7 810.256 63.7813 9 -8 -8 6 732.447 126.883 9 -8 -8 6 752.831 110.800 13 -8 8 6 763.768 68.8858 9 -8 -8 5 7529.00 294.649 9 -8 -8 5 8085.07 290.529 13 -8 8 5 7321.26 211.757 9 -8 -8 4 560.072 110.267 9 -8 -8 4 747.802 117.660 13 -8 8 4 683.671 77.2253 9 -8 -8 3 47627.9 975.335 9 -8 -8 3 50139.2 996.258 13 -8 8 3 48531.4 894.986 9 -8 -8 2 1032.86 111.024 9 -8 -8 2 1096.62 122.734 13 -8 8 2 1121.71 94.9191 9 -8 -8 1 6905.03 241.836 9 -8 -8 1 7509.44 278.101 13 -8 8 1 7373.91 224.756 9 -8 -8 0 2763.09 166.971 13 -8 8 0 2623.47 136.038 9 -8 -8 0 2473.19 129.873 9 -8 -8 -1 17072.7 450.469 13 -8 8 -1 17671.6 403.335 9 -8 8 -2 122.560 69.5867 9 -8 -8 -2 73.9931 68.6286 13 -8 -8 -3 7947.87 262.680 13 -8 8 -3 8577.46 243.709 9 -8 -8 -5 5712.70 189.836 13 -8 8 -6 1.30011 60.6772 9 -8 -8 -6 43.7834 37.7546 13 -8 8 -7 8.46662 55.3824 9 -8 8 -8 13087.3 299.381 9 -8 8 -9 6536.86 181.390 9 -8 8 -10 249.919 47.3819 9 -8 8 -10 490.801 56.9264 12 -8 8 -11 9100.02 214.407 11 -8 8 -11 8890.16 204.887 9 -8 8 -12 1419.06 63.0184 11 -8 -9 12 374.745 68.6654 9 -8 -9 11 10672.3 310.279 9 -8 -9 10 479.412 93.1763 9 -8 -9 9 14013.8 388.801 9 -8 -9 9 14228.8 360.204 13 -8 -9 8 13774.8 391.661 9 -8 -9 8 14798.8 372.644 13 -8 -9 7 519.962 99.0745 9 -8 -9 7 829.695 99.9146 13 -8 -9 6 22218.6 488.196 9 -8 -9 6 23290.7 488.260 13 -8 -9 5 8685.31 275.942 9 -8 -9 5 8542.96 281.915 13 -8 9 5 8069.36 198.890 9 -8 -9 4 487.602 83.6356 9 -8 -9 4 518.714 96.1769 13 -8 9 4 479.587 57.6131 9 -8 -9 3 8437.61 255.929 9 -8 9 3 8545.23 221.662 9 -8 -9 2 4727.35 202.387 13 -8 9 2 4359.50 148.209 9 -8 9 1 205.756 56.8154 9 -8 -9 1 115.274 71.7460 13 -8 -9 0 4317.79 191.790 13 -8 9 0 4244.91 151.525 9 -8 -9 -1 3038.06 158.124 13 -8 9 -1 3094.26 129.728 9 -8 -9 -2 8655.29 271.009 13 -8 9 -2 9214.01 239.256 9 -8 -9 -3 5811.73 207.740 13 -8 9 -3 6631.86 193.385 9 -8 9 -4 35.6908 52.4890 9 -8 -9 -4 126.150 52.6869 13 -8 -9 -5 6531.09 190.495 13 -8 -9 -6 448.109 44.8164 13 -8 9 -7 5122.54 158.135 9 -8 9 -8 3430.11 120.213 9 -8 9 -9 31.5628 37.1483 9 -8 9 -9 40.3332 37.1608 12 -8 9 -10 11622.3 247.218 11 -8 9 -10 11473.9 243.324 9 -8 -10 7 10097.9 267.058 9 -8 -10 7 12720.8 302.271 13 -8 -10 6 697.151 66.0006 9 -8 -10 6 1040.90 93.2537 13 -8 -10 5 4775.05 181.804 13 -8 -10 4 3973.94 169.957 13 -8 -10 3 1607.78 114.210 13 -8 10 3 1329.80 65.4315 9 -8 -10 2 2434.91 134.519 13 -8 10 2 2187.71 88.2382 9 -8 -10 1 2026.88 121.040 13 -8 10 1 1849.78 85.2544 9 -8 10 0 185.503 46.3768 9 -8 -10 0 250.963 63.6316 13 -8 10 -1 36.2551 42.4410 9 -8 -10 -1 45.4637 51.6559 13 -8 -10 -2 5898.80 194.312 13 -8 10 -2 6511.05 174.000 9 -8 -10 -3 1314.84 84.5612 13 -8 10 -3 1472.54 82.2097 9 -8 10 -4 34.8616 43.5361 9 -8 -10 -4 22.6662 34.2886 13 -8 10 -5 4134.12 131.329 9 -8 10 -6 87.5728 37.3889 12 -8 10 -8 1653.41 70.0724 12 -8 10 -8 1909.15 75.1167 9 -8 -11 6 8435.02 210.528 13 -8 -11 5 5132.31 158.132 13 -8 -11 4 3094.61 121.257 13 -8 -11 3 2149.84 102.601 13 -8 -11 2 1455.10 85.8976 13 -8 -11 1 138.264 43.6910 13 -8 -11 0 3004.31 117.409 13 -8 -11 -1 2344.73 98.5426 13 -9 0 14 61.0685 70.0993 8 -9 0 13 67750.3 1248.60 8 -9 0 13 63222.4 1118.44 9 -9 0 12-23.1725 66.2541 9 -9 0 12 22.3528 91.0288 8 -9 0 11 946.448 132.815 8 -9 0 11 1012.95 112.946 9 -9 0 10-97.8865 101.563 9 -9 0 10-9.40601 98.0082 8 -9 0 9 17181.2 498.039 8 -9 0 9 17118.9 463.125 9 -9 0 8 2.75622 103.296 9 -9 0 8 74.2506 105.607 8 -9 0 7 491.884 124.376 9 -9 0 7 480.084 119.320 8 -9 0 6 27.7431 94.0337 8 -9 0 5 27935.4 670.517 8 -9 0 4 109.763 90.1882 8 -9 0 3 27198.6 639.151 8 -9 0 3 28083.8 662.920 9 -9 0 2-32.4871 109.933 9 -9 0 2 110.347 74.9894 8 -9 0 1 29416.3 653.298 8 -9 0 1 30856.6 689.339 9 -9 0 0 2.43038 98.6864 9 -9 0 -1 3285.24 181.194 9 -9 0 -2 59.1738 84.0201 9 -9 0 -3 9210.75 274.558 9 -9 0 -4 67.9520 64.4096 9 -9 0 -5 12733.9 305.417 9 -9 0 -6 61.5325 45.8724 9 -9 0 -7 11442.1 245.830 9 -9 1 14 3179.79 160.751 8 -9 -1 14 2917.68 149.497 8 -9 -1 13 7760.08 277.028 8 -9 -1 13 7907.83 227.907 9 -9 1 12 280.908 61.9967 9 -9 -1 12 258.921 82.2410 9 -9 1 12 285.214 101.374 8 -9 -1 12 325.494 95.4300 8 -9 1 11 3528.48 209.878 8 -9 -1 11 3429.22 199.974 8 -9 1 11 3607.37 164.428 9 -9 -1 11 3840.91 185.891 9 -9 1 10 383.171 97.5271 9 -9 -1 10 529.147 107.666 9 -9 1 10 483.945 120.877 8 -9 -1 10 458.210 109.889 8 -9 1 9-32.7812 100.470 9 -9 -1 9 130.725 103.649 9 -9 1 9 260.134 113.918 8 -9 -1 9 90.5648 96.0439 8 -9 1 8 12262.2 409.706 8 -9 -1 8 11944.5 391.085 8 -9 1 8 12209.9 370.811 9 -9 -1 8 12294.7 389.500 9 -9 1 7 378.991 121.185 9 -9 1 7 400.678 116.714 8 -9 -1 7 483.715 110.725 8 -9 1 6 5287.81 257.381 8 -9 -1 6 5389.03 246.562 8 -9 1 6 5370.91 250.549 9 -9 1 5 13910.5 429.315 8 -9 -1 5 13048.6 397.890 8 -9 1 5 13954.9 416.621 9 -9 -1 4 1550.73 133.425 8 -9 1 4 1576.19 151.528 8 -9 -1 3 8588.83 288.998 8 -9 1 3 8868.48 315.586 8 -9 -1 3 8926.17 329.171 9 -9 -1 2 5218.31 208.740 8 -9 1 2 5580.44 238.073 8 -9 1 2 5416.07 248.156 9 -9 -1 2 5189.10 248.953 9 -9 -1 1 8240.30 258.941 8 -9 1 1 8274.31 287.594 8 -9 1 1 8566.10 304.805 9 -9 -1 1 8111.31 302.496 9 -9 1 0 10844.5 336.053 9 -9 -1 0 10434.7 337.432 9 -9 1 -1 2607.61 164.021 9 -9 -1 -1 2499.93 161.511 9 -9 1 -2 4799.12 199.341 9 -9 -1 -2 4560.72 194.618 9 -9 1 -3 14737.6 368.388 9 -9 -1 -3 14280.1 363.249 9 -9 1 -4 10761.8 287.179 9 -9 -1 -4 10785.7 281.938 9 -9 1 -5 30613.6 596.324 9 -9 1 -6 1145.56 77.9455 9 -9 -1 -6 1130.96 67.3964 9 -9 1 -7 1511.15 76.7411 9 -9 1 -8 67.1090 28.0091 9 -9 -2 13 6650.59 233.103 8 -9 -2 13 8270.23 232.606 9 -9 2 12 2076.35 154.626 8 -9 -2 12 1618.37 124.825 8 -9 2 12 1605.73 80.6762 9 -9 -2 12 2040.09 130.774 9 -9 2 11 1483.41 147.798 8 -9 -2 11 1400.80 124.576 8 -9 2 11 1450.51 97.2048 9 -9 -2 11 1476.11 129.906 9 -9 2 10 895.781 131.896 8 -9 -2 10 800.248 111.419 8 -9 2 10 903.318 99.6026 9 -9 -2 10 1112.92 130.452 9 -9 2 9 213.444 85.9794 9 -9 -2 9 342.533 114.164 9 -9 2 9 305.302 116.602 8 -9 -2 9 341.275 92.6626 8 -9 2 8 23912.5 610.907 8 -9 -2 8 22721.9 565.334 8 -9 2 8 23809.3 546.940 9 -9 2 7 8031.79 317.995 8 -9 -2 7 7728.34 283.534 8 -9 2 7 8259.84 288.680 9 -9 2 6 2651.67 192.782 8 -9 -2 6 2712.78 161.662 8 -9 2 6 2865.58 179.978 9 -9 2 5 1380.07 147.739 8 -9 -2 5 1316.63 115.004 8 -9 2 5 1306.82 143.893 9 -9 2 4 884.478 136.703 9 -9 2 4 1040.22 134.062 8 -9 -2 4 1093.04 146.931 9 -9 2 3 36139.5 781.012 8 -9 -2 3 36308.3 788.886 9 -9 -2 2 17886.4 416.977 8 -9 2 2 19227.5 494.949 8 -9 -2 2 19563.8 501.609 9 -9 2 1 2681.25 166.256 8 -9 2 1 2625.51 173.584 9 -9 -2 1 2369.80 170.593 9 -9 2 0 25147.8 568.657 9 -9 -2 0 24021.2 572.932 9 -9 2 -1 751.754 107.604 9 -9 -2 -1 718.644 105.655 9 -9 2 -2 7706.16 252.104 9 -9 -2 -2 7422.93 248.488 9 -9 2 -3 5404.26 196.822 9 -9 -2 -3 5046.92 185.680 9 -9 2 -4 10883.8 281.386 9 -9 -2 -4 9948.83 262.489 9 -9 2 -5 7013.01 201.548 9 -9 -2 -5 6258.33 175.969 9 -9 2 -6 2176.62 102.596 9 -9 2 -7 1479.62 77.3751 9 -9 2 -8 216.704 35.5742 9 -9 -3 13 6369.81 202.011 9 -9 -3 12 1905.93 128.007 9 -9 -3 11 5787.44 208.211 8 -9 3 11 6942.85 178.729 9 -9 3 10 2989.24 128.546 9 -9 -3 10 3021.68 181.088 9 -9 3 9 2205.40 170.080 8 -9 3 9 2391.84 129.436 9 -9 3 8 5696.28 258.892 8 -9 3 8 5999.08 213.111 9 -9 3 7 82.6737 82.6446 9 -9 -3 7 267.146 118.263 9 -9 3 7 181.095 109.135 8 -9 -3 7 47.2662 51.8021 8 -9 3 6 43757.8 902.867 8 -9 3 6 44988.8 843.300 9 -9 -3 6 44768.1 911.304 9 -9 3 5 2132.59 169.647 8 -9 3 5 2059.86 149.269 9 -9 -3 5 2203.57 172.397 9 -9 3 4 30547.1 705.779 8 -9 3 4 31364.2 672.041 9 -9 -3 4 30436.8 707.363 9 -9 3 3 10437.8 342.359 8 -9 3 3 10395.8 319.265 9 -9 -3 3 10167.8 342.233 9 -9 3 2 7157.06 272.942 8 -9 -3 2 7112.20 270.689 9 -9 3 1 39995.0 825.392 8 -9 -3 1 38231.4 811.464 9 -9 3 0 1730.32 137.169 9 -9 -3 0 1615.86 133.471 9 -9 -3 -1 635.355 96.6195 9 -9 3 -2 1049.93 104.289 9 -9 -3 -2 905.611 93.1300 9 -9 3 -3 3422.32 151.259 9 -9 -3 -3 3253.20 136.181 9 -9 3 -4 315.009 68.5250 9 -9 -3 -4 286.362 52.4704 9 -9 3 -5 1301.82 90.2256 9 -9 3 -6 1865.60 94.8934 9 -9 3 -7 307.262 49.1974 9 -9 3 -8 2849.40 95.7319 9 -9 4 13 3911.80 146.587 8 -9 4 12 5147.96 191.354 8 -9 -4 12 5066.98 194.141 9 -9 4 11 3357.33 166.334 8 -9 -4 11 3258.92 171.537 9 -9 4 10 6669.72 169.412 9 -9 4 9 1667.00 91.8378 9 -9 4 8 2641.38 127.895 9 -9 -4 8 2472.55 177.667 9 -9 4 7 64180.0 1126.93 9 -9 -4 7 59291.2 1210.51 9 -9 4 6 482.586 88.2684 9 -9 -4 6 709.012 123.387 9 -9 4 6 497.697 107.511 8 -9 4 5 4787.24 224.880 8 -9 4 5 5206.73 197.691 9 -9 -4 5 4869.48 230.282 9 -9 4 4 598.162 97.3261 9 -9 -4 4 656.873 115.343 9 -9 -4 4 491.000 62.2511 13 -9 4 4 713.844 115.856 8 -9 4 3 227.403 84.9821 9 -9 -4 3 327.561 95.7130 9 -9 4 3 207.904 97.7950 8 -9 4 2 127.477 83.1244 9 -9 -4 2 148.601 83.5525 9 -9 -4 1 760.805 101.702 9 -9 -4 0 454.766 88.6527 9 -9 4 -1 1632.52 117.696 9 -9 -4 -1 1342.02 107.159 9 -9 4 -2 3753.29 157.191 9 -9 -4 -2 3170.65 136.521 9 -9 4 -3 913.569 88.9306 9 -9 -4 -3 868.948 67.6582 9 -9 4 -4 3139.35 133.162 9 -9 4 -5 5212.69 165.615 9 -9 4 -6 4384.08 143.486 9 -9 4 -7 39160.5 696.657 9 -9 4 -8 421.046 44.4149 9 -9 -5 12 1702.50 103.274 9 -9 5 11 2332.89 120.318 8 -9 5 10 5299.81 195.747 8 -9 5 9 12711.3 340.438 8 -9 -5 9 11644.3 354.518 9 -9 5 8 24855.4 555.198 8 -9 5 8 24194.3 467.528 9 -9 5 7 24811.0 474.706 9 -9 -5 7 24043.0 569.403 9 -9 5 6 10073.5 253.770 9 -9 -5 6 9621.32 316.410 9 -9 5 5 12940.7 305.184 9 -9 -5 5 12637.7 362.847 9 -9 -5 4 707.651 105.414 9 -9 5 4 867.126 115.164 8 -9 -5 4 679.601 70.2389 13 -9 5 4 971.301 91.6166 9 -9 5 3 7523.20 217.941 9 -9 -5 3 6865.62 240.965 9 -9 5 2 6174.78 203.209 9 -9 -5 2 5988.82 221.640 9 -9 5 1 1161.30 98.4749 9 -9 -5 1 821.261 94.6382 9 -9 -5 0 6871.51 215.836 9 -9 -5 -1 5284.57 169.210 9 -9 5 -2 3914.48 153.610 9 -9 5 -3 14243.1 326.809 9 -9 5 -4 2602.32 116.752 9 -9 5 -5 1130.40 77.1713 9 -9 5 -6 3953.61 128.233 9 -9 5 -7 19.1577 32.7835 9 -9 5 -8 5241.41 135.957 12 -9 5 -8 6006.01 141.572 9 -9 -6 10 3743.46 160.776 9 -9 -6 9 18569.5 445.005 9 -9 -6 8 6323.93 230.904 9 -9 -6 7 4896.30 170.505 13 -9 6 7 4651.48 132.229 9 -9 6 6 50380.9 850.351 9 -9 -6 6 49527.5 940.642 9 -9 6 5 8364.87 210.526 9 -9 -6 5 8548.31 264.280 9 -9 6 4 11095.5 256.286 9 -9 -6 4 10793.1 297.137 9 -9 -6 3 947.178 70.4700 13 -9 6 3 986.348 81.0741 9 -9 -6 3 1025.22 94.6811 9 -9 6 2 96.6710 57.3002 9 -9 -6 2 45.0253 52.2103 9 -9 -6 2 62.0167 36.0869 13 -9 6 1 16406.1 347.619 9 -9 -6 1 14239.1 336.292 9 -9 6 0 7923.44 206.225 9 -9 -6 0 5960.55 172.161 9 -9 6 -3 1279.61 83.7574 9 -9 6 -4 2883.01 112.350 9 -9 6 -5 3445.47 117.079 9 -9 6 -6 439.174 46.9528 9 -9 6 -7 2316.73 83.4267 9 -9 -7 8 1439.87 92.9060 9 -9 -7 7 5525.69 183.724 9 -9 -7 6 700.840 63.1202 13 -9 -7 6 694.097 74.1054 9 -9 -7 5 9801.76 245.121 13 -9 7 5 9770.12 215.149 9 -9 -7 4 991.886 69.4597 13 -9 -7 4 1079.49 76.4417 9 -9 7 3 10489.9 223.918 9 -9 -7 3 7971.44 215.694 9 -9 7 2 24529.4 468.756 9 -9 7 1 31175.7 577.212 9 -9 7 0 6296.57 173.017 9 -9 7 -1 742.490 65.6753 9 -9 7 -2 46217.3 811.575 9 -9 7 -4 268.889 45.0922 9 -9 7 -5 2294.18 87.0298 9 -9 7 -6 290.919 36.6950 9 -9 8 2 8274.95 181.558 9 -9 8 1 4011.93 113.646 9 -9 8 0 11469.4 239.831 9 -9 8 -1 7453.93 174.274 9 -9 8 -2 648.546 48.1544 9 -9 8 -3 18574.3 350.426 9 -10 0 4 5438.19 157.455 9 -10 0 3 56.1087 39.7992 9 -10 0 2 2820.08 105.063 9 -10 0 1 57.6760 35.0287 9 -10 0 0 8917.03 197.904 9 -10 -1 5 767.481 61.3682 9 -10 -1 4 72.1260 40.8299 9 -10 1 3 10901.1 241.167 9 -10 -1 3 10372.7 242.268 9 -10 1 2 6662.82 170.084 9 -10 -1 2 6425.02 168.168 9 -10 1 1 35552.7 606.358 9 -10 -1 1 32104.0 594.431 9 -10 1 0 1239.56 62.1347 9 -10 2 4 30472.0 547.962 9 -10 2 2 1882.36 78.9842 9 -10 2 1 589.977 48.6043 9 -10 2 0 13291.3 267.140 9 0 0 0 0.00 0.00 0 TITL ZJP-ZWW-7SHX in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 1.54184 7.977331 14.848056 23.768602 90.0000 92.2615 90.0000 ZERR 40.00 0.000056 0.000113 0.000161 0.0000 0.0007 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H B N O UNIT 40.00 40.00 40.00 40.00 40.00 TREF HKLF 4 END ; _shelx_hkl_checksum 93345 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.248 _oxdiff_exptl_absorpt_empirical_full_min 0.472