data_Baran540 _audit_creation_date 2015-10-07 _audit_creation_method ; Olex2 1.2-beta (compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103) ; _publ_contact_author_address ? _publ_contact_author_email ? _publ_contact_author_name '' _publ_contact_author_phone ? _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. A71, 3-8. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C18 H30 N4 O3 S Si, 0.25(C6 H14)' _chemical_formula_sum 'C19.50 H33.50 N4 O3 S Si' _chemical_formula_weight 432.15 _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 '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/c 1' _space_group_name_Hall '-P 2ybc' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 8.0108(3) _cell_length_b 16.3497(5) _cell_length_c 36.6816(12) _cell_angle_alpha 90 _cell_angle_beta 90.004(2) _cell_angle_gamma 90 _cell_volume 4804.3(3) _cell_formula_units_Z 8 _cell_measurement_reflns_used 9830 _cell_measurement_temperature 100.0 _cell_measurement_theta_max 25.338 _cell_measurement_theta_min 2.221 _shelx_estimated_absorpt_T_max 0.986 _shelx_estimated_absorpt_T_min 0.955 _exptl_absorpt_coefficient_mu 0.210 _exptl_absorpt_correction_T_max 0.0916 _exptl_absorpt_correction_T_min 0.0638 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1072 before and 0.0524 after correction. The Ratio of minimum to maximum transmission is 0.6965. The \l/2 correction factor is 0.00150. ; _exptl_absorpt_special_details ? _exptl_crystal_colour Colorless _exptl_crystal_colour_primary Colorless _exptl_crystal_density_diffrn 1.195 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description Block _exptl_crystal_F_000 1860 _exptl_crystal_size_max 0.223 _exptl_crystal_size_mid 0.087 _exptl_crystal_size_min 0.065 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0455 _diffrn_reflns_av_unetI/netI 0.0271 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 44 _diffrn_reflns_limit_l_min -44 _diffrn_reflns_number 70378 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 25.370 _diffrn_reflns_theta_min 1.669 _diffrn_ambient_temperature 100.0 _diffrn_detector 'Bruker APEX-II CCD' _diffrn_detector_area_resol_mean 8.258 _diffrn_detector_type 'CCD Area Detector' _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device 'Kappa Four-Circle Diffractometer' _diffrn_measurement_device_type 'Bruker APEX II Ultra' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_monochromator 'Double Bounce Multilayer Mirrors' _diffrn_radiation_probe X-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'Micro Focus Rotating Anode' _diffrn_source_type 'Bruker TXS' _diffrn_standards_number 0 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 6920 _reflns_number_total 8817 _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 'SAINT v8.34A (Bruker, 2013)' _computing_data_collection 'APEX2 v2013.6-2 (Bruker, 2013)' _computing_data_reduction 'SAINT v8.34A (Bruker, 2013)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _refine_diff_density_max 0.499 _refine_diff_density_min -0.318 _refine_diff_density_rms 0.061 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.104 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 529 _refine_ls_number_reflns 8817 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0698 _refine_ls_R_factor_gt 0.0549 _refine_ls_restrained_S_all 1.104 _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^)+(0.0602P)^2^+6.1990P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1423 _refine_ls_wR_factor_ref 0.1513 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Secondary CH2 refined with riding coordinates: C1(H1A,H1B), C2(H2A,H2B), C1'(H1'A,H1'B), C2'(H2'A,H2'B), C2S(H2SA,H2SB), C3S(H3SA,H3SB) 2.b Aromatic/amide H refined with riding coordinates: C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C8'(H8'), C9'(H9'), C10'(H10'), C11'(H11'), C12'(H12') 2.c Idealised Me refined as rotating group: C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C4'(H4'A,H4'B, H4'C), C5'(H5'A,H5'B,H5'C), C13'(H13D,H13E,H13F), C14'(H14D,H14E,H14F), C16'(H16D,H16E,H16F), C17'(H17D,H17E,H17F), C18'(H18D,H18E,H18F), C1S(H1SA, H1SB,H1SC) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap 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 S1 S 0.52249(8) 0.37713(4) 0.26531(2) 0.02121(16) Uani 1 1 d . . . . . Si1 Si 0.65419(9) 0.38169(5) 0.42495(2) 0.02575(19) Uani 1 1 d . . . . . O1 O 0.6345(2) 0.41332(11) 0.23961(5) 0.0239(4) Uani 1 1 d . . . . . O2 O 0.4447(2) 0.30025(11) 0.25669(5) 0.0271(4) Uani 1 1 d . . . . . O3 O 0.6545(2) 0.41562(11) 0.38289(5) 0.0248(4) Uani 1 1 d . . . . . N1 N 0.2779(3) 0.45228(14) 0.30424(6) 0.0270(5) Uani 1 1 d . . . . . N2 N 0.1634(3) 0.51353(14) 0.29977(6) 0.0294(5) Uani 1 1 d . . . . . N3 N 0.1748(3) 0.54618(14) 0.26772(6) 0.0271(5) Uani 1 1 d . . . . . N4 N 0.2993(3) 0.50617(13) 0.24997(6) 0.0226(5) Uani 1 1 d . . . . . C1 C 0.6156(3) 0.37023(15) 0.30879(7) 0.0225(6) Uani 1 1 d . . . . . H1A H 0.5286 0.3560 0.3269 0.027 Uiso 1 1 calc R . . . . H1B H 0.6987 0.3254 0.3086 0.027 Uiso 1 1 calc R . . . . C2 C 0.7015(3) 0.44886(16) 0.32076(7) 0.0235(6) Uani 1 1 d . . . . . H2A H 0.6180 0.4935 0.3217 0.028 Uiso 1 1 calc R . . . . H2B H 0.7868 0.4639 0.3024 0.028 Uiso 1 1 calc R . . . . C3 C 0.7851(3) 0.44114(16) 0.35815(7) 0.0238(6) Uani 1 1 d . . . . . C4 C 0.8498(4) 0.52506(17) 0.36941(8) 0.0302(6) Uani 1 1 d . . . . . H4A H 0.7559 0.5631 0.3717 0.045 Uiso 1 1 calc GR . . . . H4B H 0.9277 0.5453 0.3509 0.045 Uiso 1 1 calc GR . . . . H4C H 0.9075 0.5207 0.3929 0.045 Uiso 1 1 calc GR . . . . C5 C 0.9257(3) 0.37887(17) 0.35765(8) 0.0300(6) Uani 1 1 d . . . . . H5A H 0.9802 0.3776 0.3816 0.045 Uiso 1 1 calc GR . . . . H5B H 1.0075 0.3942 0.3390 0.045 Uiso 1 1 calc GR . . . . H5C H 0.8803 0.3247 0.3521 0.045 Uiso 1 1 calc GR . . . . C6 C 0.3589(3) 0.44928(15) 0.27303(7) 0.0217(5) Uani 1 1 d . . . . . C7 C 0.3389(3) 0.52688(16) 0.21286(7) 0.0237(6) Uani 1 1 d . . . . . C8 C 0.3699(3) 0.60813(17) 0.20475(8) 0.0292(6) Uani 1 1 d . . . . . H8 H 0.3664 0.6488 0.2233 0.035 Uiso 1 1 calc R . . . . C9 C 0.4060(4) 0.62871(18) 0.16906(8) 0.0373(7) Uani 1 1 d . . . . . H9 H 0.4280 0.6841 0.1628 0.045 Uiso 1 1 calc R . . . . C10 C 0.4103(4) 0.56858(19) 0.14223(8) 0.0381(7) Uani 1 1 d . . . . . H10 H 0.4362 0.5830 0.1178 0.046 Uiso 1 1 calc R . . . . C11 C 0.3771(4) 0.48819(18) 0.15101(8) 0.0328(7) Uani 1 1 d . . . . . H11 H 0.3789 0.4475 0.1325 0.039 Uiso 1 1 calc R . . . . C12 C 0.3412(3) 0.46639(17) 0.18663(8) 0.0287(6) Uani 1 1 d . . . . . H12 H 0.3187 0.4111 0.1929 0.034 Uiso 1 1 calc R . . . . C13 C 0.7375(4) 0.2753(2) 0.42758(9) 0.0427(8) Uani 1 1 d . . . . . H13A H 0.6909 0.2427 0.4076 0.064 Uiso 1 1 calc GR . . . . H13B H 0.7060 0.2509 0.4510 0.064 Uiso 1 1 calc GR . . . . H13C H 0.8595 0.2766 0.4255 0.064 Uiso 1 1 calc GR . . . . C14 C 0.7782(4) 0.4466(2) 0.45688(9) 0.0440(8) Uani 1 1 d . . . . . H14A H 0.8967 0.4435 0.4504 0.066 Uiso 1 1 calc GR . . . . H14B H 0.7626 0.4270 0.4819 0.066 Uiso 1 1 calc GR . . . . H14C H 0.7404 0.5035 0.4551 0.066 Uiso 1 1 calc GR . . . . C15 C 0.4256(4) 0.38265(18) 0.43767(8) 0.0318(7) Uani 1 1 d . . . . . C16 C 0.3536(5) 0.4685(2) 0.43176(11) 0.0581(11) Uani 1 1 d . . . . . H16A H 0.4143 0.5078 0.4470 0.087 Uiso 1 1 calc GR . . . . H16B H 0.2352 0.4689 0.4385 0.087 Uiso 1 1 calc GR . . . . H16C H 0.3654 0.4838 0.4061 0.087 Uiso 1 1 calc GR . . . . C17 C 0.4012(4) 0.3584(2) 0.47747(9) 0.0477(9) Uani 1 1 d . . . . . H17A H 0.4435 0.3028 0.4813 0.072 Uiso 1 1 calc GR . . . . H17B H 0.2822 0.3603 0.4835 0.072 Uiso 1 1 calc GR . . . . H17C H 0.4625 0.3965 0.4932 0.072 Uiso 1 1 calc GR . . . . C18 C 0.3309(4) 0.3220(2) 0.41341(10) 0.0512(9) Uani 1 1 d . . . . . H18A H 0.3384 0.3396 0.3879 0.077 Uiso 1 1 calc GR . . . . H18B H 0.2134 0.3201 0.4208 0.077 Uiso 1 1 calc GR . . . . H18C H 0.3803 0.2674 0.4160 0.077 Uiso 1 1 calc GR . . . . S1' S 0.02271(8) 0.79206(4) 0.26438(2) 0.02121(16) Uani 1 1 d . . . . . Si1' Si 0.15804(10) 0.79127(5) 0.42329(2) 0.02826(19) Uani 1 1 d . . . . . O1' O -0.0550(2) 0.86869(11) 0.25556(5) 0.0282(4) Uani 1 1 d . . . . . O2' O 0.1356(2) 0.75561(11) 0.23880(5) 0.0248(4) Uani 1 1 d . . . . . O3' O 0.1563(2) 0.75409(11) 0.38200(5) 0.0258(4) Uani 1 1 d . . . . . N1' N -0.2219(3) 0.71747(14) 0.30343(6) 0.0272(5) Uani 1 1 d . . . . . N2' N -0.3357(3) 0.65560(14) 0.29946(6) 0.0284(5) Uani 1 1 d . . . . . N3' N -0.3247(3) 0.62280(13) 0.26739(6) 0.0271(5) Uani 1 1 d . . . . . N4' N -0.1999(3) 0.66265(13) 0.24953(6) 0.0228(5) Uani 1 1 d . . . . . C1' C 0.1151(3) 0.79939(16) 0.30781(7) 0.0228(6) Uani 1 1 d . . . . . H1'A H 0.1974 0.8446 0.3076 0.027 Uiso 1 1 calc R . . . . H1'B H 0.0277 0.8133 0.3259 0.027 Uiso 1 1 calc R . . . . C2' C 0.2023(3) 0.72092(15) 0.31977(7) 0.0240(6) Uani 1 1 d . . . . . H2'A H 0.2880 0.7062 0.3015 0.029 Uiso 1 1 calc R . . . . H2'B H 0.1196 0.6760 0.3207 0.029 Uiso 1 1 calc R . . . . C3' C 0.2854(3) 0.72912(16) 0.35711(7) 0.0251(6) Uani 1 1 d . . . . . C4' C 0.4254(3) 0.79267(18) 0.35615(8) 0.0307(6) Uani 1 1 d . . . . . H4'A H 0.3786 0.8464 0.3501 0.046 Uiso 1 1 calc GR . . . . H4'B H 0.5077 0.7771 0.3377 0.046 Uiso 1 1 calc GR . . . . H4'C H 0.4795 0.7953 0.3801 0.046 Uiso 1 1 calc GR . . . . C5' C 0.3526(4) 0.64547(17) 0.36838(8) 0.0305(6) Uani 1 1 d . . . . . H5'A H 0.4090 0.6500 0.3920 0.046 Uiso 1 1 calc GR . . . . H5'B H 0.4320 0.6260 0.3500 0.046 Uiso 1 1 calc GR . . . . H5'C H 0.2599 0.6066 0.3704 0.046 Uiso 1 1 calc GR . . . . C6' C -0.1405(3) 0.72026(16) 0.27218(7) 0.0224(6) Uani 1 1 d . . . . . C7' C -0.1598(3) 0.64106(16) 0.21251(7) 0.0235(6) Uani 1 1 d . . . . . C8' C -0.1550(3) 0.70180(17) 0.18612(8) 0.0279(6) Uani 1 1 d . . . . . H8' H -0.1765 0.7573 0.1922 0.033 Uiso 1 1 calc R . . . . C9' C -0.1181(4) 0.67930(18) 0.15073(8) 0.0329(7) Uani 1 1 d . . . . . H9' H -0.1126 0.7199 0.1322 0.039 Uiso 1 1 calc R . . . . C10' C -0.0889(4) 0.59785(19) 0.14194(8) 0.0371(7) Uani 1 1 d . . . . . H10' H -0.0643 0.5827 0.1175 0.044 Uiso 1 1 calc R . . . . C11' C -0.0958(4) 0.53900(18) 0.16891(9) 0.0381(7) Uani 1 1 d . . . . . H11' H -0.0756 0.4834 0.1628 0.046 Uiso 1 1 calc R . . . . C12' C -0.1316(3) 0.55968(17) 0.20443(8) 0.0290(6) Uani 1 1 d . . . . . H12' H -0.1368 0.5191 0.2229 0.035 Uiso 1 1 calc R . . . . C13' C 0.3062(5) 0.7367(3) 0.45413(9) 0.0565(10) Uani 1 1 d . . . . . H13D H 0.2798 0.6782 0.4543 0.085 Uiso 1 1 calc GR . . . . H13E H 0.2960 0.7587 0.4789 0.085 Uiso 1 1 calc GR . . . . H13F H 0.4207 0.7446 0.4454 0.085 Uiso 1 1 calc GR . . . . C14' C 0.2149(5) 0.9020(2) 0.42301(10) 0.0531(9) Uani 1 1 d . . . . . H14D H 0.3298 0.9084 0.4142 0.080 Uiso 1 1 calc GR . . . . H14E H 0.2061 0.9240 0.4478 0.080 Uiso 1 1 calc GR . . . . H14F H 0.1388 0.9318 0.4068 0.080 Uiso 1 1 calc GR . . . . C15' C -0.0604(4) 0.7771(2) 0.43942(9) 0.0435(8) Uani 1 1 d . . . . . C16' C -0.1801(5) 0.8228(4) 0.41401(11) 0.0793(16) Uani 1 1 d . . . . . H16D H -0.1504 0.8810 0.4135 0.119 Uiso 1 1 calc GR . . . . H16E H -0.2947 0.8167 0.4229 0.119 Uiso 1 1 calc GR . . . . H16F H -0.1717 0.8001 0.3894 0.119 Uiso 1 1 calc GR . . . . C17' C -0.0833(4) 0.8119(2) 0.47844(9) 0.0471(8) Uani 1 1 d . . . . . H17D H -0.0090 0.7829 0.4953 0.071 Uiso 1 1 calc GR . . . . H17E H -0.1994 0.8044 0.4862 0.071 Uiso 1 1 calc GR . . . . H17F H -0.0560 0.8703 0.4785 0.071 Uiso 1 1 calc GR . . . . C18' C -0.1038(7) 0.6859(3) 0.43981(14) 0.100(2) Uani 1 1 d . . . . . H18D H -0.1000 0.6644 0.4149 0.150 Uiso 1 1 calc GR . . . . H18E H -0.2163 0.6784 0.4498 0.150 Uiso 1 1 calc GR . . . . H18F H -0.0231 0.6565 0.4550 0.150 Uiso 1 1 calc GR . . . . C1S C 0.8159(6) 0.0558(3) 0.45272(13) 0.0752(13) Uani 1 1 d . . . . . H1SA H 0.8973 0.0351 0.4704 0.113 Uiso 1 1 calc GR . . . . H1SB H 0.8554 0.1078 0.4427 0.113 Uiso 1 1 calc GR . . . . H1SC H 0.8027 0.0160 0.4330 0.113 Uiso 1 1 calc GR . . . . C2S C 0.6492(6) 0.0688(3) 0.47148(12) 0.0684(12) Uani 1 1 d . . . . . H2SA H 0.5662 0.0863 0.4531 0.082 Uiso 1 1 calc R . . . . H2SB H 0.6609 0.1137 0.4894 0.082 Uiso 1 1 calc R . . . . C3S C 0.5831(6) -0.0065(2) 0.49093(11) 0.0642(11) Uani 1 1 d . . . . . H3SA H 0.5726 -0.0516 0.4731 0.077 Uiso 1 1 calc R . . . . H3SB H 0.6653 -0.0236 0.5096 0.077 Uiso 1 1 calc R . . . . 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 S1 0.0213(3) 0.0190(3) 0.0234(3) -0.0015(2) 0.0002(3) 0.0000(2) Si1 0.0258(4) 0.0279(4) 0.0236(4) 0.0024(3) -0.0015(3) 0.0004(3) O1 0.0229(9) 0.0250(10) 0.0238(10) 0.0006(8) 0.0030(7) 0.0007(7) O2 0.0269(10) 0.0200(9) 0.0344(11) -0.0048(8) -0.0029(8) -0.0015(8) O3 0.0229(9) 0.0284(10) 0.0231(10) 0.0018(8) 0.0005(7) -0.0008(8) N1 0.0254(12) 0.0259(12) 0.0298(13) -0.0015(10) 0.0026(10) 0.0008(10) N2 0.0274(12) 0.0284(13) 0.0325(14) -0.0036(10) 0.0046(10) 0.0003(10) N3 0.0245(12) 0.0251(12) 0.0319(13) -0.0046(10) 0.0048(10) 0.0025(9) N4 0.0212(11) 0.0203(11) 0.0263(12) -0.0032(9) 0.0010(9) 0.0001(9) C1 0.0239(13) 0.0208(13) 0.0226(14) 0.0011(10) -0.0007(11) -0.0003(10) C2 0.0246(13) 0.0212(13) 0.0245(14) 0.0018(11) 0.0003(11) -0.0008(11) C3 0.0221(13) 0.0246(14) 0.0247(14) 0.0004(11) 0.0015(11) -0.0019(11) C4 0.0301(15) 0.0298(15) 0.0308(15) -0.0022(12) -0.0018(12) -0.0050(12) C5 0.0254(14) 0.0330(16) 0.0315(16) 0.0030(12) 0.0001(12) 0.0029(12) C6 0.0220(13) 0.0181(13) 0.0251(14) -0.0023(10) 0.0006(10) -0.0029(10) C7 0.0187(13) 0.0257(14) 0.0266(14) 0.0024(11) 0.0000(11) 0.0036(11) C8 0.0295(15) 0.0253(14) 0.0329(16) -0.0013(12) -0.0001(12) 0.0032(12) C9 0.0472(19) 0.0269(15) 0.0377(18) 0.0061(13) 0.0013(14) 0.0049(13) C10 0.0440(18) 0.0410(18) 0.0293(16) 0.0062(14) 0.0022(13) 0.0088(14) C11 0.0380(17) 0.0316(16) 0.0287(16) -0.0037(12) -0.0023(13) 0.0072(13) C12 0.0304(15) 0.0239(14) 0.0317(16) -0.0015(12) -0.0011(12) 0.0044(11) C13 0.0457(19) 0.0412(18) 0.0411(19) 0.0118(15) 0.0064(15) 0.0123(15) C14 0.0433(19) 0.058(2) 0.0311(17) 0.0000(15) -0.0034(14) -0.0126(16) C15 0.0267(15) 0.0374(17) 0.0314(16) 0.0075(13) 0.0019(12) 0.0020(12) C16 0.044(2) 0.056(2) 0.074(3) 0.021(2) 0.0241(19) 0.0201(18) C17 0.0351(18) 0.070(2) 0.0381(19) 0.0130(17) 0.0063(14) -0.0007(17) C18 0.0338(18) 0.071(3) 0.049(2) 0.0036(18) -0.0045(15) -0.0129(17) S1' 0.0220(3) 0.0187(3) 0.0230(3) 0.0021(2) 0.0003(3) 0.0002(2) Si1' 0.0290(4) 0.0309(4) 0.0249(4) -0.0022(3) -0.0029(3) 0.0013(3) O1' 0.0266(10) 0.0224(10) 0.0355(11) 0.0061(8) -0.0024(8) 0.0017(8) O2' 0.0247(10) 0.0263(10) 0.0236(10) -0.0011(8) 0.0018(8) -0.0015(8) O3' 0.0240(10) 0.0307(10) 0.0227(10) -0.0005(8) 0.0005(8) 0.0008(8) N1' 0.0268(12) 0.0262(12) 0.0287(13) 0.0043(10) 0.0034(10) 0.0011(10) N2' 0.0279(12) 0.0254(12) 0.0320(14) 0.0033(10) 0.0034(10) 0.0009(10) N3' 0.0244(12) 0.0240(12) 0.0330(14) 0.0057(10) 0.0037(10) -0.0018(9) N4' 0.0231(11) 0.0175(11) 0.0277(12) 0.0043(9) 0.0021(9) 0.0005(9) C1' 0.0256(14) 0.0203(13) 0.0226(14) -0.0010(10) 0.0002(11) -0.0007(11) C2' 0.0258(14) 0.0196(13) 0.0267(14) 0.0015(11) -0.0005(11) 0.0016(11) C3' 0.0230(14) 0.0258(14) 0.0266(15) 0.0012(11) 0.0015(11) 0.0011(11) C4' 0.0231(14) 0.0357(16) 0.0332(16) 0.0004(13) 0.0007(12) -0.0027(12) C5' 0.0312(15) 0.0306(15) 0.0297(15) 0.0047(12) -0.0012(12) 0.0057(12) C6' 0.0204(13) 0.0214(13) 0.0254(14) 0.0025(11) -0.0011(11) 0.0025(10) C7' 0.0223(13) 0.0235(14) 0.0248(14) 0.0012(11) -0.0013(11) -0.0010(11) C8' 0.0288(15) 0.0224(14) 0.0325(16) 0.0023(12) -0.0017(12) -0.0009(11) C9' 0.0374(17) 0.0315(16) 0.0297(16) 0.0025(12) -0.0014(13) -0.0078(13) C10' 0.0459(18) 0.0353(17) 0.0300(16) -0.0062(13) 0.0043(13) -0.0101(14) C11' 0.0492(19) 0.0245(15) 0.0408(18) -0.0059(13) 0.0037(14) -0.0034(13) C12' 0.0328(15) 0.0221(14) 0.0322(16) 0.0020(12) 0.0008(12) -0.0031(12) C13' 0.059(2) 0.080(3) 0.0309(19) -0.0023(18) -0.0081(16) 0.022(2) C14' 0.074(3) 0.0389(19) 0.047(2) -0.0073(16) 0.0084(18) -0.0146(18) C15' 0.0395(18) 0.054(2) 0.0373(18) -0.0148(16) 0.0090(14) -0.0107(15) C16' 0.033(2) 0.154(5) 0.050(2) -0.017(3) -0.0065(17) 0.021(3) C17' 0.047(2) 0.058(2) 0.0364(19) -0.0078(16) 0.0102(15) -0.0017(17) C18' 0.119(4) 0.079(3) 0.102(4) -0.051(3) 0.072(3) -0.067(3) C1S 0.094(4) 0.053(3) 0.078(3) -0.006(2) -0.007(3) 0.008(2) C2S 0.091(3) 0.049(2) 0.065(3) 0.004(2) 0.002(2) 0.012(2) C3S 0.088(3) 0.046(2) 0.058(3) -0.0124(19) -0.011(2) 0.008(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag S1 O1 1.4296(19) . ? S1 O2 1.4380(18) . ? S1 C1 1.764(3) . ? S1 C6 1.786(3) . ? Si1 O3 1.6395(19) . ? Si1 C13 1.865(3) . ? Si1 C14 1.867(3) . ? Si1 C15 1.890(3) . ? O3 C3 1.446(3) . ? N1 N2 1.368(3) . ? N1 C6 1.317(3) . ? N2 N3 1.294(3) . ? N3 N4 1.359(3) . ? N4 C6 1.345(3) . ? N4 C7 1.438(3) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C1 C2 1.523(3) . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C2 C3 1.532(4) . ? C3 C4 1.524(4) . ? C3 C5 1.518(4) . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C7 C8 1.384(4) . ? C7 C12 1.380(4) . ? C8 H8 0.9500 . ? C8 C9 1.383(4) . ? C9 H9 0.9500 . ? C9 C10 1.391(4) . ? C10 H10 0.9500 . ? C10 C11 1.379(4) . ? C11 H11 0.9500 . ? C11 C12 1.385(4) . ? C12 H12 0.9500 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 C16 1.533(4) . ? C15 C17 1.525(4) . ? C15 C18 1.534(4) . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? S1' O1' 1.4360(19) . ? S1' O2' 1.4328(19) . ? S1' C1' 1.761(3) . ? S1' C6' 1.780(3) . ? Si1' O3' 1.6319(19) . ? Si1' C13' 1.867(3) . ? Si1' C14' 1.867(3) . ? Si1' C15' 1.862(3) . ? O3' C3' 1.439(3) . ? N1' N2' 1.369(3) . ? N1' C6' 1.319(3) . ? N2' N3' 1.296(3) . ? N3' N4' 1.361(3) . ? N4' C6' 1.343(3) . ? N4' C7' 1.439(3) . ? C1' H1'A 0.9900 . ? C1' H1'B 0.9900 . ? C1' C2' 1.525(3) . ? C2' H2'A 0.9900 . ? C2' H2'B 0.9900 . ? C2' C3' 1.529(4) . ? C3' C4' 1.529(4) . ? C3' C5' 1.527(4) . ? C4' H4'A 0.9800 . ? C4' H4'B 0.9800 . ? C4' H4'C 0.9800 . ? C5' H5'A 0.9800 . ? C5' H5'B 0.9800 . ? C5' H5'C 0.9800 . ? C7' C8' 1.387(4) . ? C7' C12' 1.382(4) . ? C8' H8' 0.9500 . ? C8' C9' 1.381(4) . ? C9' H9' 0.9500 . ? C9' C10' 1.390(4) . ? C10' H10' 0.9500 . ? C10' C11' 1.381(4) . ? C11' H11' 0.9500 . ? C11' C12' 1.377(4) . ? C12' H12' 0.9500 . ? C13' H13D 0.9800 . ? C13' H13E 0.9800 . ? C13' H13F 0.9800 . ? C14' H14D 0.9800 . ? C14' H14E 0.9800 . ? C14' H14F 0.9800 . ? C15' C16' 1.532(5) . ? C15' C17' 1.551(4) . ? C15' C18' 1.531(5) . ? C16' H16D 0.9800 . ? C16' H16E 0.9800 . ? C16' H16F 0.9800 . ? C17' H17D 0.9800 . ? C17' H17E 0.9800 . ? C17' H17F 0.9800 . ? C18' H18D 0.9800 . ? C18' H18E 0.9800 . ? C18' H18F 0.9800 . ? C1S H1SA 0.9800 . ? C1S H1SB 0.9800 . ? C1S H1SC 0.9800 . ? C1S C2S 1.517(6) . ? C2S H2SA 0.9900 . ? C2S H2SB 0.9900 . ? C2S C3S 1.518(6) . ? C3S C3S 1.504(8) 3_656 ? C3S H3SA 0.9900 . ? C3S H3SB 0.9900 . ? 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 O1 S1 O2 119.25(11) . . ? O1 S1 C1 110.94(12) . . ? O1 S1 C6 106.95(11) . . ? O2 S1 C1 109.03(12) . . ? O2 S1 C6 107.12(11) . . ? C1 S1 C6 102.07(12) . . ? O3 Si1 C13 111.31(13) . . ? O3 Si1 C14 113.40(13) . . ? O3 Si1 C15 103.37(11) . . ? C13 Si1 C14 107.90(17) . . ? C13 Si1 C15 109.98(15) . . ? C14 Si1 C15 110.85(15) . . ? C3 O3 Si1 133.57(16) . . ? C6 N1 N2 104.7(2) . . ? N3 N2 N1 111.3(2) . . ? N2 N3 N4 106.8(2) . . ? N3 N4 C7 120.1(2) . . ? C6 N4 N3 107.0(2) . . ? C6 N4 C7 132.8(2) . . ? S1 C1 H1A 108.9 . . ? S1 C1 H1B 108.9 . . ? H1A C1 H1B 107.7 . . ? C2 C1 S1 113.43(18) . . ? C2 C1 H1A 108.9 . . ? C2 C1 H1B 108.9 . . ? C1 C2 H2A 109.0 . . ? C1 C2 H2B 109.0 . . ? C1 C2 C3 112.7(2) . . ? H2A C2 H2B 107.8 . . ? C3 C2 H2A 109.0 . . ? C3 C2 H2B 109.0 . . ? O3 C3 C2 105.6(2) . . ? O3 C3 C4 109.6(2) . . ? O3 C3 C5 110.5(2) . . ? C4 C3 C2 108.5(2) . . ? C5 C3 C2 111.7(2) . . ? C5 C3 C4 110.8(2) . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4B 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? C3 C5 H5A 109.5 . . ? C3 C5 H5B 109.5 . . ? C3 C5 H5C 109.5 . . ? H5A C5 H5B 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? N1 C6 S1 121.6(2) . . ? N1 C6 N4 110.3(2) . . ? N4 C6 S1 128.1(2) . . ? C8 C7 N4 118.0(2) . . ? C12 C7 N4 119.6(2) . . ? C12 C7 C8 122.4(3) . . ? C7 C8 H8 120.8 . . ? C9 C8 C7 118.3(3) . . ? C9 C8 H8 120.8 . . ? C8 C9 H9 119.9 . . ? C8 C9 C10 120.2(3) . . ? C10 C9 H9 119.9 . . ? C9 C10 H10 119.9 . . ? C11 C10 C9 120.2(3) . . ? C11 C10 H10 119.9 . . ? C10 C11 H11 119.8 . . ? C10 C11 C12 120.4(3) . . ? C12 C11 H11 119.8 . . ? C7 C12 C11 118.4(3) . . ? C7 C12 H12 120.8 . . ? C11 C12 H12 120.8 . . ? Si1 C13 H13A 109.5 . . ? Si1 C13 H13B 109.5 . . ? Si1 C13 H13C 109.5 . . ? H13A C13 H13B 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? Si1 C14 H14A 109.5 . . ? Si1 C14 H14B 109.5 . . ? Si1 C14 H14C 109.5 . . ? H14A C14 H14B 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C16 C15 Si1 109.7(2) . . ? C16 C15 C18 108.9(3) . . ? C17 C15 Si1 111.0(2) . . ? C17 C15 C16 109.0(3) . . ? C17 C15 C18 108.9(3) . . ? C18 C15 Si1 109.3(2) . . ? C15 C16 H16A 109.5 . . ? C15 C16 H16B 109.5 . . ? C15 C16 H16C 109.5 . . ? H16A C16 H16B 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C15 C17 H17A 109.5 . . ? C15 C17 H17B 109.5 . . ? C15 C17 H17C 109.5 . . ? H17A C17 H17B 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C15 C18 H18A 109.5 . . ? C15 C18 H18B 109.5 . . ? C15 C18 H18C 109.5 . . ? H18A C18 H18B 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? O1' S1' C1' 109.06(12) . . ? O1' S1' C6' 107.05(11) . . ? O2' S1' O1' 119.27(11) . . ? O2' S1' C1' 110.84(12) . . ? O2' S1' C6' 107.13(12) . . ? C1' S1' C6' 102.01(12) . . ? O3' Si1' C13' 112.94(14) . . ? O3' Si1' C14' 110.99(14) . . ? O3' Si1' C15' 103.92(12) . . ? C13' Si1' C14' 108.2(2) . . ? C15' Si1' C13' 110.21(18) . . ? C15' Si1' C14' 110.60(17) . . ? C3' O3' Si1' 133.51(16) . . ? C6' N1' N2' 105.2(2) . . ? N3' N2' N1' 110.9(2) . . ? N2' N3' N4' 106.8(2) . . ? N3' N4' C7' 120.0(2) . . ? C6' N4' N3' 107.3(2) . . ? C6' N4' C7' 132.6(2) . . ? S1' C1' H1'A 108.9 . . ? S1' C1' H1'B 108.9 . . ? H1'A C1' H1'B 107.7 . . ? C2' C1' S1' 113.30(18) . . ? C2' C1' H1'A 108.9 . . ? C2' C1' H1'B 108.9 . . ? C1' C2' H2'A 109.1 . . ? C1' C2' H2'B 109.1 . . ? C1' C2' C3' 112.5(2) . . ? H2'A C2' H2'B 107.8 . . ? C3' C2' H2'A 109.1 . . ? C3' C2' H2'B 109.1 . . ? O3' C3' C2' 106.3(2) . . ? O3' C3' C4' 110.4(2) . . ? O3' C3' C5' 109.6(2) . . ? C2' C3' C4' 111.0(2) . . ? C5' C3' C2' 108.5(2) . . ? C5' C3' C4' 110.9(2) . . ? C3' C4' H4'A 109.5 . . ? C3' C4' H4'B 109.5 . . ? C3' C4' H4'C 109.5 . . ? H4'A C4' H4'B 109.5 . . ? H4'A C4' H4'C 109.5 . . ? H4'B C4' H4'C 109.5 . . ? C3' C5' H5'A 109.5 . . ? C3' C5' H5'B 109.5 . . ? C3' C5' H5'C 109.5 . . ? H5'A C5' H5'B 109.5 . . ? H5'A C5' H5'C 109.5 . . ? H5'B C5' H5'C 109.5 . . ? N1' C6' S1' 121.7(2) . . ? N1' C6' N4' 109.8(2) . . ? N4' C6' S1' 128.5(2) . . ? C8' C7' N4' 119.3(2) . . ? C12' C7' N4' 118.4(2) . . ? C12' C7' C8' 122.4(3) . . ? C7' C8' H8' 121.0 . . ? C9' C8' C7' 118.1(3) . . ? C9' C8' H8' 121.0 . . ? C8' C9' H9' 119.7 . . ? C8' C9' C10' 120.6(3) . . ? C10' C9' H9' 119.7 . . ? C9' C10' H10' 120.2 . . ? C11' C10' C9' 119.6(3) . . ? C11' C10' H10' 120.2 . . ? C10' C11' H11' 119.5 . . ? C12' C11' C10' 121.0(3) . . ? C12' C11' H11' 119.5 . . ? C7' C12' H12' 120.9 . . ? C11' C12' C7' 118.3(3) . . ? C11' C12' H12' 120.9 . . ? Si1' C13' H13D 109.5 . . ? Si1' C13' H13E 109.5 . . ? Si1' C13' H13F 109.5 . . ? H13D C13' H13E 109.5 . . ? H13D C13' H13F 109.5 . . ? H13E C13' H13F 109.5 . . ? Si1' C14' H14D 109.5 . . ? Si1' C14' H14E 109.5 . . ? Si1' C14' H14F 109.5 . . ? H14D C14' H14E 109.5 . . ? H14D C14' H14F 109.5 . . ? H14E C14' H14F 109.5 . . ? C16' C15' Si1' 109.5(3) . . ? C16' C15' C17' 107.9(3) . . ? C17' C15' Si1' 111.0(2) . . ? C18' C15' Si1' 109.7(3) . . ? C18' C15' C16' 109.8(4) . . ? C18' C15' C17' 108.8(3) . . ? C15' C16' H16D 109.5 . . ? C15' C16' H16E 109.5 . . ? C15' C16' H16F 109.5 . . ? H16D C16' H16E 109.5 . . ? H16D C16' H16F 109.5 . . ? H16E C16' H16F 109.5 . . ? C15' C17' H17D 109.5 . . ? C15' C17' H17E 109.5 . . ? C15' C17' H17F 109.5 . . ? H17D C17' H17E 109.5 . . ? H17D C17' H17F 109.5 . . ? H17E C17' H17F 109.5 . . ? C15' C18' H18D 109.5 . . ? C15' C18' H18E 109.5 . . ? C15' C18' H18F 109.5 . . ? H18D C18' H18E 109.5 . . ? H18D C18' H18F 109.5 . . ? H18E C18' H18F 109.5 . . ? H1SA C1S H1SB 109.5 . . ? H1SA C1S H1SC 109.5 . . ? H1SB C1S H1SC 109.5 . . ? C2S C1S H1SA 109.5 . . ? C2S C1S H1SB 109.5 . . ? C2S C1S H1SC 109.5 . . ? C1S C2S H2SA 108.8 . . ? C1S C2S H2SB 108.8 . . ? C1S C2S C3S 114.0(4) . . ? H2SA C2S H2SB 107.7 . . ? C3S C2S H2SA 108.8 . . ? C3S C2S H2SB 108.8 . . ? C2S C3S H3SA 108.8 . . ? C2S C3S H3SB 108.8 . . ? C3S C3S C2S 113.7(4) 3_656 . ? C3S C3S H3SA 108.8 3_656 . ? C3S C3S H3SB 108.8 3_656 . ? H3SA C3S H3SB 107.7 . . ? _shelx_res_file ; baran540.res created by SHELXL-2014/7 TITL Baran540 in P21/c #14 REM SHELXT solution in P2(1)/c REM R1 0.128, Rweak 0.003, Alpha 0.030, Orientation as input REM Formula found by SHELXT: C39 N8 O6 Si2 S2 CELL 0.71073 8.0108 16.3497 36.6816 90 90.004 90 ZERR 8 0.0003 0.0005 0.0012 0 0.002 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H N O S Si UNIT 156 268 32 24 8 8 L.S. 10 PLAN 20 SIZE 0.223 0.087 0.065 TEMP -173.15 BOND $H fmap 2 ACTA 50 OMIT 0 1 1 OMIT 0 0 2 REM REM REM WGHT 0.060200 6.199000 FVAR 0.26524 S1 5 0.522487 0.377125 0.265313 11.00000 0.02126 0.01901 = 0.02337 -0.00149 0.00022 -0.00002 SI1 6 0.654189 0.381694 0.424953 11.00000 0.02575 0.02795 = 0.02356 0.00241 -0.00151 0.00037 O1 4 0.634454 0.413322 0.239611 11.00000 0.02293 0.02499 = 0.02375 0.00055 0.00301 0.00071 O2 4 0.444717 0.300248 0.256692 11.00000 0.02687 0.02000 = 0.03440 -0.00482 -0.00294 -0.00154 O3 4 0.654530 0.415616 0.382892 11.00000 0.02294 0.02836 = 0.02308 0.00182 0.00049 -0.00078 N1 3 0.277902 0.452280 0.304243 11.00000 0.02539 0.02587 = 0.02981 -0.00152 0.00263 0.00084 N2 3 0.163431 0.513527 0.299765 11.00000 0.02741 0.02835 = 0.03246 -0.00359 0.00460 0.00029 N3 3 0.174835 0.546183 0.267715 11.00000 0.02447 0.02508 = 0.03186 -0.00458 0.00476 0.00254 N4 3 0.299311 0.506168 0.249974 11.00000 0.02121 0.02027 = 0.02632 -0.00323 0.00104 0.00009 C1 1 0.615590 0.370233 0.308790 11.00000 0.02390 0.02082 = 0.02264 0.00110 -0.00065 -0.00029 AFIX 23 H1A 2 0.528645 0.355953 0.326882 11.00000 -1.20000 H1B 2 0.698688 0.325416 0.308555 11.00000 -1.20000 AFIX 0 C2 1 0.701456 0.448862 0.320759 11.00000 0.02462 0.02122 = 0.02455 0.00177 0.00033 -0.00082 AFIX 23 H2A 2 0.617975 0.493464 0.321658 11.00000 -1.20000 H2B 2 0.786814 0.463930 0.302435 11.00000 -1.20000 AFIX 0 C3 1 0.785107 0.441140 0.358154 11.00000 0.02206 0.02456 = 0.02472 0.00040 0.00153 -0.00191 C4 1 0.849826 0.525055 0.369411 11.00000 0.03014 0.02981 = 0.03080 -0.00221 -0.00184 -0.00504 AFIX 137 H4A 2 0.755877 0.563107 0.371679 11.00000 -1.50000 H4B 2 0.927735 0.545318 0.350900 11.00000 -1.50000 H4C 2 0.907493 0.520713 0.392894 11.00000 -1.50000 AFIX 0 C5 1 0.925729 0.378870 0.357655 11.00000 0.02540 0.03297 = 0.03149 0.00296 0.00012 0.00295 AFIX 137 H5A 2 0.980155 0.377607 0.381576 11.00000 -1.50000 H5B 2 1.007516 0.394166 0.338995 11.00000 -1.50000 H5C 2 0.880268 0.324650 0.352072 11.00000 -1.50000 AFIX 0 C6 1 0.358887 0.449280 0.273033 11.00000 0.02197 0.01814 = 0.02508 -0.00228 0.00055 -0.00292 C7 1 0.338888 0.526879 0.212859 11.00000 0.01870 0.02572 = 0.02663 0.00236 -0.00005 0.00363 C8 1 0.369876 0.608134 0.204755 11.00000 0.02952 0.02527 = 0.03288 -0.00128 -0.00005 0.00323 AFIX 43 H8 2 0.366404 0.648759 0.223255 11.00000 -1.20000 AFIX 0 C9 1 0.406016 0.628713 0.169060 11.00000 0.04716 0.02686 = 0.03773 0.00614 0.00135 0.00488 AFIX 43 H9 2 0.427975 0.684075 0.162829 11.00000 -1.20000 AFIX 0 C10 1 0.410321 0.568582 0.142234 11.00000 0.04405 0.04100 = 0.02931 0.00617 0.00223 0.00882 AFIX 43 H10 2 0.436213 0.582955 0.117787 11.00000 -1.20000 AFIX 0 C11 1 0.377134 0.488194 0.151012 11.00000 0.03797 0.03164 = 0.02869 -0.00374 -0.00229 0.00719 AFIX 43 H11 2 0.378916 0.447542 0.132511 11.00000 -1.20000 AFIX 0 C12 1 0.341232 0.466393 0.186631 11.00000 0.03041 0.02394 = 0.03173 -0.00152 -0.00113 0.00440 AFIX 43 H12 2 0.318738 0.411085 0.192867 11.00000 -1.20000 AFIX 0 C13 1 0.737513 0.275335 0.427584 11.00000 0.04575 0.04124 = 0.04106 0.01179 0.00638 0.01231 AFIX 137 H13A 2 0.690914 0.242657 0.407632 11.00000 -1.50000 H13B 2 0.705952 0.250881 0.450982 11.00000 -1.50000 H13C 2 0.859456 0.276582 0.425522 11.00000 -1.50000 AFIX 0 C14 1 0.778178 0.446632 0.456883 11.00000 0.04329 0.05770 = 0.03114 -0.00003 -0.00339 -0.01255 AFIX 137 H14A 2 0.896691 0.443464 0.450411 11.00000 -1.50000 H14B 2 0.762551 0.427021 0.481897 11.00000 -1.50000 H14C 2 0.740378 0.503499 0.455101 11.00000 -1.50000 AFIX 0 C15 1 0.425561 0.382652 0.437674 11.00000 0.02670 0.03739 = 0.03143 0.00750 0.00186 0.00197 C16 1 0.353624 0.468528 0.431761 11.00000 0.04449 0.05585 = 0.07400 0.02067 0.02408 0.02013 AFIX 137 H16A 2 0.414313 0.507820 0.446973 11.00000 -1.50000 H16B 2 0.235222 0.468861 0.438477 11.00000 -1.50000 H16C 2 0.365354 0.483795 0.406053 11.00000 -1.50000 AFIX 0 C17 1 0.401241 0.358400 0.477470 11.00000 0.03509 0.06997 = 0.03805 0.01300 0.00626 -0.00066 AFIX 137 H17A 2 0.443479 0.302797 0.481275 11.00000 -1.50000 H17B 2 0.282164 0.360312 0.483534 11.00000 -1.50000 H17C 2 0.462452 0.396509 0.493173 11.00000 -1.50000 AFIX 0 C18 1 0.330857 0.321970 0.413414 11.00000 0.03380 0.07081 = 0.04885 0.00361 -0.00453 -0.01294 AFIX 137 H18A 2 0.338383 0.339556 0.387926 11.00000 -1.50000 H18B 2 0.213407 0.320140 0.420842 11.00000 -1.50000 H18C 2 0.380260 0.267436 0.415970 11.00000 -1.50000 AFIX 0 S1' 5 0.022707 0.792058 0.264378 11.00000 0.02197 0.01871 = 0.02296 0.00214 0.00029 0.00023 SI1' 6 0.158036 0.791275 0.423287 11.00000 0.02900 0.03092 = 0.02486 -0.00225 -0.00291 0.00133 O1' 4 -0.054990 0.868693 0.255556 11.00000 0.02658 0.02243 = 0.03554 0.00606 -0.00237 0.00172 O2' 4 0.135561 0.755607 0.238801 11.00000 0.02467 0.02629 = 0.02357 -0.00106 0.00178 -0.00151 O3' 4 0.156292 0.754086 0.382004 11.00000 0.02404 0.03073 = 0.02269 -0.00046 0.00049 0.00080 N1' 3 -0.221903 0.717473 0.303428 11.00000 0.02680 0.02619 = 0.02871 0.00426 0.00335 0.00109 N2' 3 -0.335698 0.655599 0.299462 11.00000 0.02786 0.02542 = 0.03198 0.00329 0.00338 0.00089 N3' 3 -0.324678 0.622804 0.267385 11.00000 0.02441 0.02399 = 0.03300 0.00567 0.00375 -0.00178 N4' 3 -0.199896 0.662651 0.249527 11.00000 0.02309 0.01752 = 0.02769 0.00425 0.00206 0.00054 C1' 1 0.115068 0.799393 0.307813 11.00000 0.02555 0.02033 = 0.02265 -0.00100 0.00016 -0.00068 AFIX 23 H1'A 2 0.197384 0.844555 0.307620 11.00000 -1.20000 H1'B 2 0.027717 0.813271 0.325874 11.00000 -1.20000 AFIX 0 C2' 1 0.202317 0.720923 0.319774 11.00000 0.02579 0.01956 = 0.02666 0.00150 -0.00048 0.00156 AFIX 23 H2'A 2 0.288012 0.706211 0.301468 11.00000 -1.20000 H2'B 2 0.119591 0.675983 0.320665 11.00000 -1.20000 AFIX 0 C3' 1 0.285428 0.729119 0.357110 11.00000 0.02301 0.02578 = 0.02662 0.00120 0.00145 0.00108 C4' 1 0.425369 0.792669 0.356152 11.00000 0.02310 0.03573 = 0.03321 0.00036 0.00073 -0.00272 AFIX 137 H4'A 2 0.378554 0.846358 0.350103 11.00000 -1.50000 H4'B 2 0.507743 0.777117 0.337658 11.00000 -1.50000 H4'C 2 0.479509 0.795267 0.380083 11.00000 -1.50000 AFIX 0 C5' 1 0.352603 0.645467 0.368375 11.00000 0.03116 0.03063 = 0.02975 0.00473 -0.00115 0.00570 AFIX 137 H5'A 2 0.409034 0.650049 0.391992 11.00000 -1.50000 H5'B 2 0.432035 0.626020 0.349999 11.00000 -1.50000 H5'C 2 0.259860 0.606635 0.370366 11.00000 -1.50000 AFIX 0 C6' 1 -0.140529 0.720259 0.272182 11.00000 0.02042 0.02145 = 0.02541 0.00253 -0.00115 0.00248 C7' 1 -0.159751 0.641058 0.212511 11.00000 0.02235 0.02348 = 0.02477 0.00117 -0.00134 -0.00103 C8' 1 -0.155010 0.701800 0.186120 11.00000 0.02877 0.02237 = 0.03248 0.00231 -0.00166 -0.00085 AFIX 43 H8' 2 -0.176548 0.757279 0.192213 11.00000 -1.20000 AFIX 0 C9' 1 -0.118073 0.679300 0.150727 11.00000 0.03742 0.03146 = 0.02974 0.00249 -0.00140 -0.00780 AFIX 43 H9' 2 -0.112570 0.719869 0.132226 11.00000 -1.20000 AFIX 0 C10' 1 -0.088884 0.597848 0.141938 11.00000 0.04595 0.03534 = 0.02996 -0.00624 0.00431 -0.01005 AFIX 43 H10' 2 -0.064287 0.582742 0.117514 11.00000 -1.20000 AFIX 0 C11' 1 -0.095836 0.538997 0.168906 11.00000 0.04921 0.02447 = 0.04076 -0.00593 0.00375 -0.00340 AFIX 43 H11' 2 -0.075613 0.483383 0.162843 11.00000 -1.20000 AFIX 0 C12' 1 -0.131612 0.559676 0.204434 11.00000 0.03277 0.02208 = 0.03216 0.00198 0.00083 -0.00313 AFIX 43 H12' 2 -0.136820 0.519053 0.222916 11.00000 -1.20000 AFIX 0 C13' 1 0.306200 0.736713 0.454126 11.00000 0.05870 0.08000 = 0.03091 -0.00229 -0.00812 0.02226 AFIX 137 H13D 2 0.279765 0.678191 0.454308 11.00000 -1.50000 H13E 2 0.295972 0.758673 0.478885 11.00000 -1.50000 H13F 2 0.420654 0.744629 0.445379 11.00000 -1.50000 AFIX 0 C14' 1 0.214916 0.902032 0.423006 11.00000 0.07367 0.03890 = 0.04689 -0.00734 0.00838 -0.01456 AFIX 137 H14D 2 0.329761 0.908364 0.414246 11.00000 -1.50000 H14E 2 0.206050 0.924046 0.447780 11.00000 -1.50000 H14F 2 0.138789 0.931813 0.406844 11.00000 -1.50000 AFIX 0 C15' 1 -0.060412 0.777090 0.439417 11.00000 0.03953 0.05379 = 0.03731 -0.01475 0.00902 -0.01073 C16' 1 -0.180083 0.822845 0.414012 11.00000 0.03348 0.15447 = 0.04986 -0.01716 -0.00648 0.02086 AFIX 137 H16D 2 -0.150358 0.880977 0.413494 11.00000 -1.50000 H16E 2 -0.294716 0.816715 0.422931 11.00000 -1.50000 H16F 2 -0.171727 0.800111 0.389359 11.00000 -1.50000 AFIX 0 C17' 1 -0.083314 0.811892 0.478440 11.00000 0.04730 0.05767 = 0.03638 -0.00785 0.01022 -0.00170 AFIX 137 H17D 2 -0.009036 0.782947 0.495299 11.00000 -1.50000 H17E 2 -0.199415 0.804399 0.486167 11.00000 -1.50000 H17F 2 -0.055958 0.870314 0.478506 11.00000 -1.50000 AFIX 0 C18' 1 -0.103835 0.685893 0.439805 11.00000 0.11875 0.07940 = 0.10246 -0.05149 0.07209 -0.06678 AFIX 137 H18D 2 -0.099963 0.664398 0.414880 11.00000 -1.50000 H18E 2 -0.216274 0.678443 0.449792 11.00000 -1.50000 H18F 2 -0.023061 0.656469 0.454991 11.00000 -1.50000 AFIX 0 C1S 1 0.815881 0.055787 0.452724 11.00000 0.09416 0.05327 = 0.07804 -0.00610 -0.00705 0.00825 AFIX 137 H1SA 2 0.897261 0.035142 0.470424 11.00000 -1.50000 H1SB 2 0.855407 0.107839 0.442676 11.00000 -1.50000 H1SC 2 0.802654 0.015984 0.432958 11.00000 -1.50000 AFIX 0 C2S 1 0.649166 0.068783 0.471480 11.00000 0.09118 0.04909 = 0.06508 0.00395 0.00201 0.01192 AFIX 23 H2SA 2 0.566237 0.086290 0.453053 11.00000 -1.20000 H2SB 2 0.660911 0.113660 0.489417 11.00000 -1.20000 AFIX 0 C3S 1 0.583125 -0.006478 0.490934 11.00000 0.08821 0.04579 = 0.05846 -0.01242 -0.01088 0.00795 AFIX 23 H3SA 2 0.572633 -0.051587 0.473076 11.00000 -1.20000 H3SB 2 0.665272 -0.023576 0.509603 11.00000 -1.20000 AFIX 0 HKLF 4 REM Baran540 in P21/c #14 REM R1 = 0.0549 for 6920 Fo > 4sig(Fo) and 0.0698 for all 8817 data REM 529 parameters refined using 0 restraints END WGHT 0.0602 6.2062 REM Highest difference peak 0.499, deepest hole -0.318, 1-sigma level 0.061 Q1 1 0.3332 0.7981 0.4514 11.00000 0.05 0.50 Q2 1 0.0715 0.7946 0.2884 11.00000 0.05 0.48 Q3 1 0.5697 0.3770 0.2881 11.00000 0.05 0.46 Q4 1 0.1686 0.4580 0.4274 11.00000 0.05 0.46 Q5 1 0.4290 0.0740 0.4645 11.00000 0.05 0.45 Q6 1 0.0940 0.7594 0.4356 11.00000 0.05 0.43 Q7 1 0.6690 0.0455 0.4218 11.00000 0.05 0.41 Q8 1 0.6641 -0.0947 0.5486 11.00000 0.05 0.36 Q9 1 0.3396 0.4986 0.1997 11.00000 0.05 0.34 Q10 1 0.5897 -0.0488 0.5137 11.00000 0.05 0.33 Q11 1 0.6766 0.3279 0.2972 11.00000 0.05 0.32 Q12 1 0.0357 0.6622 0.4565 11.00000 0.05 0.30 Q13 1 0.0055 0.4778 0.2684 11.00000 0.05 0.29 Q14 1 0.5168 0.3834 0.4312 11.00000 0.05 0.29 Q15 1 0.7461 0.4426 0.3386 11.00000 0.05 0.29 Q16 1 0.4745 0.5619 0.2364 11.00000 0.05 0.28 Q17 1 -0.0677 0.7590 0.2670 11.00000 0.05 0.28 Q18 1 0.4278 0.4150 0.2694 11.00000 0.05 0.27 Q19 1 0.6613 0.4020 0.3993 11.00000 0.05 0.27 Q20 1 0.6004 0.0239 0.4518 11.00000 0.05 0.26 ; _shelx_res_checksum 72816 _shelx_hkl_file ; 1 0 0 23.60 1.50 -1 0 0 30.10 1.50 -1 0 0 31.10 1.70 -2 0 0 1974.00 76.49 -2 0 0 1861.71 76.59 2 0 0 1922.01 77.59 2 0 0 1995.80 77.59 -2 0 0 2022.60 77.09 -2 0 0 1916.21 76.59 -2 0 0 2021.30 76.49 -3 0 0 30.70 2.00 -3 0 0 27.60 2.50 -3 0 0 29.20 2.10 -3 0 0 31.80 2.00 3 0 0 24.70 3.10 3 0 0 25.30 2.90 -3 0 0 29.50 2.10 4 0 0 2879.61 111.59 -4 0 0 2710.23 109.89 -4 0 0 2836.92 109.59 -4 0 0 2880.31 110.69 4 0 0 2818.82 112.19 -4 0 0 2706.43 109.69 5 0 0 15.00 3.20 -5 0 0 15.80 2.80 -5 0 0 15.20 1.90 -5 0 0 12.20 1.60 5 0 0 10.30 3.50 -5 0 0 15.70 2.00 6 0 0 987.60 43.00 -6 0 0 919.81 39.10 -6 0 0 967.70 40.20 -6 0 0 944.21 39.00 6 0 0 974.40 41.50 7 0 0 6.80 5.20 -7 0 0 6.50 2.10 -7 0 0 7.10 3.00 -7 0 0 5.70 1.80 7 0 0 14.20 4.00 -8 0 0 0.70 1.80 -8 0 0 3.50 2.00 -8 0 0 2.40 2.20 -9 0 0 0.40 1.90 -9 0 0 2.70 2.70 0 -1 0 -0.40 0.10 0 1 0 -0.30 0.10 -1 -1 0 762.52 30.70 -1 -1 0 822.12 30.30 -1 -1 0 808.32 30.70 1 1 0 791.02 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8.80 1.70 1 9 0 10.10 1.80 -1 9 0 6.10 2.30 -2 -9 0 35.90 2.80 2 -9 0 41.00 2.80 -2 -9 0 40.50 3.50 2 -9 0 34.80 2.60 -2 -9 0 40.10 3.20 -2 -9 0 42.80 2.60 -2 9 0 31.30 3.50 -2 9 0 42.40 5.60 -2 9 0 34.90 3.70 2 9 0 38.00 3.20 2 9 0 36.90 3.60 -2 9 0 41.30 3.10 2 9 0 34.90 4.20 -3 -9 0 6.50 1.30 -3 -9 0 10.00 1.90 -3 -9 0 9.50 2.00 -3 -9 0 7.80 1.60 -3 9 0 11.90 2.00 3 9 0 7.20 2.40 -3 9 0 9.70 2.30 3 9 0 6.50 2.00 3 9 0 7.50 2.90 -4 -9 0 68.19 4.60 -4 -9 0 66.09 4.30 -4 -9 0 64.59 4.20 -4 9 0 61.39 5.10 -4 9 0 61.49 4.30 4 9 0 55.39 6.00 -4 9 0 63.99 6.40 4 9 0 59.59 5.70 4 9 0 66.79 4.90 -4 9 0 63.99 4.30 -5 -9 0 4.70 1.80 -5 -9 0 2.50 1.60 -5 -9 0 4.40 1.70 -5 9 0 2.60 1.70 5 9 0 2.10 3.10 5 9 0 4.60 2.20 -5 9 0 4.20 1.80 -5 9 0 0.30 1.80 -5 9 0 3.60 1.50 5 9 0 1.40 2.70 -6 -9 0 143.19 8.00 -6 -9 0 147.59 8.00 -6 -9 0 155.68 8.40 6 9 0 153.68 9.10 6 9 0 144.79 11.40 -6 9 0 134.59 7.80 6 9 0 144.19 10.20 -6 9 0 145.99 8.80 -6 9 0 165.98 8.40 -6 9 0 140.49 7.90 -6 9 0 144.39 8.60 -7 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2.30 3 10 0 6.30 2.00 -4 -10 0 4.30 1.50 -4 -10 0 1.40 1.50 -4 -10 0 1.80 1.40 -4 10 0 1.60 1.80 -4 10 0 3.70 1.60 4 10 0 3.30 2.80 -4 10 0 3.30 1.60 4 10 0 1.60 2.20 4 10 0 2.60 1.80 -5 -10 0 15.60 2.70 -5 -10 0 9.40 2.20 -5 -10 0 13.80 2.50 -5 10 0 14.20 2.30 -5 10 0 12.10 2.80 -5 10 0 21.70 3.30 -5 10 0 10.20 2.20 5 10 0 15.40 3.90 5 10 0 19.00 3.50 5 10 0 15.50 4.40 -6 -10 0 0.20 1.70 -6 -10 0 -1.20 1.50 -6 -10 0 2.80 1.90 6 10 0 -1.30 2.10 -6 10 0 2.40 1.60 -6 10 0 1.00 1.50 -6 10 0 1.60 1.80 -6 10 0 0.40 1.80 6 10 0 -1.00 3.40 -6 10 0 2.30 1.90 -7 -10 0 13.00 2.80 -7 -10 0 10.70 2.80 -7 -10 0 15.20 3.10 7 10 0 8.80 5.00 -7 10 0 8.90 2.40 -7 10 0 12.30 3.10 -7 10 0 19.80 3.80 -7 10 0 8.60 2.30 7 10 0 9.00 3.80 -8 -10 0 0.40 2.00 -8 -10 0 8.20 2.80 -8 -10 0 1.90 2.40 8 10 0 1.10 3.00 -8 10 0 7.90 3.20 -8 10 0 3.10 2.20 8 10 0 2.00 4.90 -8 10 0 0.10 1.70 0 -11 0 2.00 1.20 0 -11 0 1.60 1.40 0 11 0 1.90 2.10 0 11 0 1.90 1.20 -1 -11 0 10.20 2.00 -1 -11 0 7.80 2.00 1 -11 0 6.90 1.50 1 -11 0 9.30 2.00 1 11 0 7.60 1.80 -1 11 0 7.00 2.80 1 11 0 10.20 2.20 -1 11 0 7.00 2.30 -1 11 0 5.30 1.80 1 11 0 8.20 2.90 -2 -11 0 3.50 1.40 -2 -11 0 2.80 1.60 2 -11 0 0.60 1.00 2 11 0 3.70 1.60 -2 11 0 0.90 1.50 -2 11 0 1.10 2.50 2 11 0 0.50 1.50 2 11 0 -0.20 2.20 -2 11 0 3.50 2.00 -3 -11 0 4.60 1.70 -3 -11 0 5.20 2.00 3 -11 0 7.30 1.50 3 11 0 8.50 2.30 -3 11 0 6.60 2.90 3 11 0 0.80 2.40 -3 11 0 6.20 1.90 -3 11 0 4.10 2.00 3 11 0 8.40 2.60 -4 -11 0 11.50 2.40 -4 -11 0 10.80 2.50 -4 11 0 9.00 2.10 -4 11 0 10.60 2.40 4 11 0 10.20 2.50 4 11 0 11.30 3.70 -4 11 0 8.80 2.80 4 11 0 5.70 3.00 -5 -11 0 0.40 1.60 -5 -11 0 -0.90 1.40 5 11 0 0.60 1.80 -5 11 0 -0.60 1.50 5 11 0 1.50 3.40 5 11 0 0.10 2.60 -5 11 0 3.70 2.00 -5 11 0 -1.30 1.60 -6 -11 0 23.40 3.50 -6 -11 0 16.70 2.90 -6 11 0 24.60 3.60 6 11 0 13.70 5.10 -6 11 0 15.10 2.80 -6 11 0 26.00 5.40 6 11 0 8.40 3.40 -6 11 0 17.20 3.00 -6 11 0 15.70 3.60 -7 -11 0 77.09 5.60 -7 -11 0 73.49 5.80 -7 11 0 67.59 5.40 -7 11 0 76.89 5.50 7 11 0 68.29 8.70 7 11 0 66.69 7.50 -7 11 0 65.29 6.30 -8 -11 0 -0.10 2.10 -8 -11 0 0.20 3.10 8 11 0 1.00 3.30 -8 11 0 0.20 1.80 -8 11 0 -0.80 1.60 0 -12 0 1413.06 58.79 0 -12 0 1480.15 59.59 0 12 0 1496.15 59.49 0 12 0 1523.15 61.09 1 -12 0 1.70 1.70 -1 -12 0 5.80 1.90 1 -12 0 4.30 1.50 -1 -12 0 2.80 1.30 -1 12 0 2.60 1.60 -1 12 0 1.20 1.70 -1 12 0 8.90 3.00 1 12 0 3.40 1.60 1 12 0 -0.60 2.30 2 -12 0 137.19 7.20 -2 -12 0 143.49 8.00 -2 -12 0 151.88 7.60 2 12 0 146.59 9.70 -2 12 0 141.29 9.10 -2 12 0 134.09 7.70 2 12 0 160.38 8.10 -2 12 0 147.49 8.90 3 -12 0 4.20 1.50 -3 -12 0 5.40 1.80 -3 -12 0 2.60 1.90 -3 12 0 6.20 2.50 -3 12 0 7.40 2.00 3 12 0 3.60 1.80 3 12 0 5.40 2.60 3 12 0 0.90 2.80 -4 -12 0 24.90 2.90 -4 -12 0 27.50 3.50 -4 12 0 23.00 2.90 4 12 0 28.30 4.70 4 12 0 27.30 5.50 -4 12 0 31.50 4.10 -4 12 0 24.30 3.10 4 12 0 28.40 3.50 -5 -12 0 0.20 1.60 -5 -12 0 2.10 2.00 5 12 0 2.40 3.90 5 12 0 4.20 3.10 -5 12 0 -0.20 2.00 -5 12 0 4.60 2.10 -5 12 0 0.50 1.80 -6 -12 0 52.29 4.60 -6 -12 0 37.00 4.10 -6 12 0 43.50 4.00 -6 12 0 42.60 4.90 6 12 0 44.10 5.60 -6 12 0 37.50 3.80 6 12 0 38.50 7.10 -7 -12 0 -2.10 1.70 -7 -12 0 -0.50 1.60 7 12 0 -1.00 2.80 7 12 0 8.50 5.10 -7 12 0 -0.20 1.70 -7 12 0 -1.50 2.00 -7 12 0 0.10 1.90 0 -13 0 0.50 1.50 0 -13 0 0.00 1.20 0 13 0 5.00 3.00 0 13 0 2.00 1.60 -1 -13 0 16.70 2.60 1 -13 0 17.20 2.40 1 -13 0 16.90 3.10 -1 -13 0 10.40 2.50 1 13 0 16.40 2.80 -1 13 0 17.60 3.80 1 13 0 19.10 4.30 -1 13 0 22.70 2.90 -1 13 0 16.10 3.30 -2 -13 0 0.10 1.60 2 -13 0 1.30 1.40 -2 -13 0 -0.40 1.30 -2 13 0 2.40 1.80 2 13 0 -0.10 1.40 2 13 0 3.20 2.80 -2 13 0 0.70 3.10 -2 13 0 3.50 2.30 -3 -13 0 19.20 2.90 3 -13 0 15.60 2.50 -3 -13 0 23.10 3.10 -3 13 0 21.10 3.90 3 13 0 21.00 4.80 3 13 0 20.50 3.40 -3 13 0 18.10 3.20 -4 -13 0 22.10 3.40 -4 -13 0 8.80 2.30 4 13 0 22.50 5.30 4 13 0 12.60 3.50 -4 13 0 13.00 2.80 -4 13 0 13.20 3.20 4 13 0 16.40 3.20 -5 -13 0 34.20 3.60 -5 -13 0 34.40 4.10 -5 13 0 32.10 3.50 5 13 0 42.60 7.10 -5 13 0 32.90 4.00 -5 13 0 38.40 4.70 5 13 0 30.00 5.20 -6 -13 0 24.40 3.60 -6 -13 0 15.80 3.20 6 13 0 19.60 4.80 -6 13 0 21.00 4.20 -6 13 0 16.70 3.00 -6 13 0 19.60 3.20 6 13 0 29.50 6.50 -7 -13 0 8.50 2.90 -7 -13 0 2.00 2.20 -7 13 0 10.70 3.40 7 13 0 6.10 4.10 -7 13 0 10.60 2.90 7 13 0 10.20 5.40 -7 13 0 11.10 2.60 0 -14 0 100.19 6.70 0 -14 0 103.79 5.90 0 14 0 126.59 8.70 0 14 0 92.99 6.20 1 -14 0 19.50 2.40 -1 -14 0 22.20 3.00 1 -14 0 18.60 3.30 -1 -14 0 26.10 3.70 1 14 0 22.00 4.50 1 14 0 19.80 3.10 -1 14 0 16.50 3.70 -1 14 0 20.90 3.00 -1 14 0 20.60 4.30 -2 -14 0 9.30 2.50 -2 -14 0 10.70 2.20 2 -14 0 8.30 2.10 -2 14 0 11.60 2.50 -2 14 0 20.80 4.20 2 14 0 6.10 2.10 -2 14 0 9.00 2.70 2 14 0 14.60 4.20 -3 -14 0 3.70 1.90 3 -14 0 0.20 1.30 -3 -14 0 0.10 1.70 -3 14 0 -1.30 1.70 3 14 0 -0.60 2.80 3 14 0 3.10 1.90 -3 14 0 -1.00 1.60 -4 -14 0 25.60 3.10 -4 -14 0 22.60 3.80 4 14 0 29.70 5.90 -4 14 0 32.60 4.80 -4 14 0 34.30 3.80 -5 -14 0 106.39 6.90 -5 -14 0 106.79 7.20 -5 14 0 119.59 7.10 5 14 0 101.99 9.70 -5 14 0 122.89 8.50 -6 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1 2 40.40 3.70 3 1 2 36.30 3.50 -3 1 -2 47.30 2.80 -3 1 -2 46.10 3.20 -4 -1 -2 71.59 3.70 4 -1 2 73.29 5.80 -4 -1 -2 66.29 3.80 -4 -1 -2 67.49 4.00 -4 -1 -2 67.69 4.40 4 -1 2 64.79 5.00 -4 1 -2 69.19 3.80 4 1 2 71.79 5.50 -4 1 -2 64.19 3.90 4 1 2 72.49 3.80 -4 1 -2 63.69 3.80 4 1 2 62.19 5.20 -4 1 -2 62.79 4.40 -5 -1 -2 311.07 13.70 5 -1 2 289.77 16.00 -5 -1 -2 308.97 13.40 5 -1 2 322.77 15.50 -5 -1 -2 305.27 14.60 -5 -1 -2 309.47 13.80 5 1 2 311.97 16.10 5 1 2 326.07 15.70 -5 1 -2 322.07 14.70 -5 1 -2 305.47 13.80 -5 1 -2 309.07 13.50 -5 1 -2 312.17 13.70 6 -1 2 61.69 7.40 6 -1 2 81.19 6.80 -6 -1 -2 76.39 5.00 -6 -1 -2 81.59 5.80 -6 -1 -2 85.49 5.00 6 1 2 82.89 6.80 -6 1 -2 81.09 5.10 -6 1 -2 84.39 5.80 6 1 2 68.09 7.00 -6 1 -2 80.79 6.10 -6 1 -2 85.59 5.10 7 -1 2 28.50 5.10 -7 -1 -2 23.60 3.00 -7 -1 -2 26.70 3.90 -7 -1 -2 24.00 3.00 -7 1 -2 25.70 3.00 7 1 2 17.90 5.20 -7 1 -2 28.90 4.30 7 1 2 30.30 5.50 -7 1 -2 25.30 3.10 -8 -1 -2 3.10 2.00 -8 -1 -2 4.90 2.60 -8 -1 -2 7.90 2.10 -8 1 -2 4.50 2.10 8 1 2 -1.30 2.60 -8 1 -2 1.60 2.30 -8 1 -2 4.80 2.10 -9 -1 -2 5.20 2.30 -9 -1 -2 -2.20 1.80 -9 -1 -2 -2.70 2.00 -9 1 -2 3.60 2.00 -9 1 -2 1.10 2.60 -9 1 -2 2.40 2.20 -9 -2 2 76.39 6.70 -9 -2 2 82.99 6.00 -9 2 2 72.59 5.80 -9 2 2 85.79 7.20 -8 -2 2 71.59 5.50 -8 -2 2 69.79 6.00 8 2 -2 66.59 10.50 -8 2 2 75.19 5.40 -8 2 2 75.39 5.30 -8 2 2 81.99 6.40 -7 -2 2 63.99 4.50 -7 -2 2 81.99 5.20 -7 -2 2 67.49 5.60 7 2 -2 61.79 6.60 -7 2 2 69.89 5.70 -7 2 2 60.89 4.70 7 2 -2 77.69 9.20 -7 2 2 67.49 4.70 -6 -2 2 14.50 2.50 -6 -2 2 14.30 2.20 -6 -2 2 18.90 3.10 -6 2 2 16.50 2.50 -6 2 2 16.00 2.90 6 2 -2 13.80 4.30 6 2 -2 19.90 4.10 -6 2 2 15.60 2.10 -5 -2 2 1.60 0.90 -5 -2 2 1.80 1.10 -5 -2 2 3.00 1.60 -5 2 2 3.00 1.20 -5 2 2 1.30 1.00 -5 2 2 -0.40 0.90 5 2 -2 0.40 1.80 5 2 -2 -3.30 2.40 -5 2 2 0.20 1.20 -4 -2 2 7.70 1.50 -4 -2 2 6.50 1.60 -4 2 2 4.70 1.30 4 2 -2 6.60 2.10 4 2 -2 5.50 1.40 -4 2 2 4.90 1.20 -4 2 2 5.30 1.60 4 2 -2 3.90 2.40 -3 -2 2 88.99 4.10 -3 -2 2 86.59 4.70 -3 -2 2 92.09 3.80 -3 -2 2 82.89 4.20 -3 2 2 66.89 4.40 3 2 -2 87.79 5.90 -3 2 2 75.59 4.20 3 2 -2 80.79 5.40 3 2 -2 83.99 4.70 -3 2 2 73.89 4.10 -3 2 2 77.89 4.00 3 2 -2 84.79 4.60 -2 -2 2 126.39 5.70 -2 -2 2 123.19 6.00 -2 -2 2 145.99 5.70 -2 2 2 120.79 6.00 -2 2 2 136.49 5.60 2 2 -2 117.69 6.80 2 2 -2 121.49 6.60 -2 2 2 124.39 5.60 -2 2 2 119.99 5.90 2 2 -2 128.49 6.00 1 -2 -2 2005.10 79.69 -1 -2 2 2128.79 79.79 -1 -2 2 2065.39 79.99 -1 -2 2 2100.49 79.99 -1 -2 2 1955.70 79.79 1 2 -2 2139.49 80.39 -1 2 2 2119.89 80.59 -1 2 2 1986.20 79.69 1 2 -2 2006.60 79.99 1 2 -2 1995.40 80.49 -1 2 2 2030.10 80.29 1 2 -2 2060.49 79.69 0 -2 -2 6.00 0.50 0 2 2 8.50 0.60 0 2 -2 4.20 0.90 -1 -2 -2 852.81 31.70 -1 -2 -2 842.22 31.70 1 -2 2 786.82 31.60 -1 -2 -2 826.52 31.70 -1 -2 -2 880.61 31.70 1 -2 2 729.63 31.60 -1 -2 -2 793.32 31.60 -1 2 -2 814.72 32.10 -1 2 -2 776.82 31.60 1 2 2 811.82 31.70 1 2 2 791.42 31.70 -1 2 -2 813.32 31.60 -1 2 -2 795.52 31.90 1 2 2 710.93 32.20 1 2 2 828.12 32.20 -2 -2 -2 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14.00 2.00 2 9 -3 13.60 3.30 -2 9 3 12.80 1.80 -2 9 3 17.90 3.30 -2 9 3 14.50 3.00 2 9 -3 13.60 2.50 2 9 -3 12.70 2.20 1 -9 -3 9.90 1.30 -1 -9 3 10.90 1.90 -1 -9 3 10.60 1.50 -1 -9 3 12.60 2.00 1 -9 -3 14.80 2.00 1 -9 -3 13.50 1.60 1 9 -3 16.40 2.40 -1 9 3 11.80 1.80 1 9 -3 12.80 2.90 -1 9 3 11.90 2.80 -1 9 3 17.20 2.80 1 9 -3 9.80 1.90 0 -9 3 1.50 1.00 0 -9 -3 -0.10 0.50 0 -9 -3 0.30 1.10 0 -9 -3 -0.10 0.80 0 -9 3 -0.10 1.00 0 -9 3 0.40 0.70 0 9 3 2.00 1.50 0 9 3 0.60 1.00 0 9 -3 0.80 0.90 0 9 -3 -0.80 0.80 0 9 -3 1.40 1.30 0 9 3 1.80 2.00 0 9 -3 2.50 1.80 1 -9 3 407.86 18.10 -1 -9 -3 433.36 17.80 -1 -9 -3 415.46 18.30 -1 -9 -3 409.56 18.70 1 -9 3 406.66 17.60 1 -9 3 421.46 17.70 -1 -9 -3 440.56 17.20 1 9 3 424.46 19.50 1 9 3 449.86 18.80 -1 9 -3 406.56 18.10 1 9 3 426.26 18.10 -1 9 -3 460.45 19.20 -1 9 -3 418.76 19.00 -2 -9 -3 4.20 1.70 2 -9 3 3.30 1.10 -2 -9 -3 3.70 0.90 -2 -9 -3 7.60 1.80 2 -9 3 5.20 1.40 -2 -9 -3 4.60 1.30 2 9 3 3.20 1.30 -2 9 -3 3.70 1.90 2 9 3 4.50 2.00 2 9 3 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378.26 18.40 -3 -10 3 81.59 5.30 -3 -10 3 83.19 5.10 -3 -10 3 87.39 4.80 3 10 -3 96.99 7.40 -3 10 3 113.59 7.20 3 10 -3 82.59 6.10 3 10 -3 78.09 5.40 -3 10 3 83.99 5.10 -3 10 3 74.09 5.80 -2 -10 3 287.87 12.70 -2 -10 3 295.27 12.30 2 -10 -3 274.67 12.80 2 -10 -3 267.87 12.10 -2 -10 3 267.97 12.90 2 10 -3 281.57 13.50 2 10 -3 289.37 13.20 -2 10 3 263.17 12.50 -2 10 3 300.77 14.50 2 10 -3 305.17 15.00 -1 -10 3 14.00 2.40 -1 -10 3 8.50 1.50 -1 -10 3 14.90 2.10 1 -10 -3 11.30 1.70 1 -10 -3 15.20 2.40 -1 10 3 12.40 2.00 -1 10 3 14.40 3.20 1 10 -3 11.10 2.10 1 10 -3 13.00 2.20 1 10 -3 10.90 2.90 -1 10 3 14.70 2.60 0 -10 3 60.49 3.40 0 -10 3 61.89 4.10 0 -10 -3 57.89 4.00 0 -10 -3 59.99 3.60 0 -10 3 53.49 3.60 0 10 -3 51.69 4.60 0 10 3 56.79 3.80 0 10 -3 59.99 4.10 0 10 3 63.29 5.30 0 10 3 61.59 4.20 0 10 -3 48.80 4.10 -1 -10 -3 4.80 1.70 1 -10 3 5.90 1.30 -1 -10 -3 5.40 1.40 1 -10 3 5.40 1.70 -1 -10 -3 4.30 1.80 1 -10 3 4.30 1.10 -1 10 -3 5.10 1.60 1 10 3 3.00 2.40 1 10 3 4.60 1.70 1 10 3 2.10 1.20 -1 10 -3 7.20 2.30 -1 10 -3 -0.30 1.40 2 -10 3 154.68 7.60 -2 -10 -3 161.38 7.70 -2 -10 -3 159.28 8.20 2 -10 3 157.78 7.50 -2 -10 -3 142.59 8.30 2 10 3 162.08 8.10 -2 10 -3 167.08 8.20 2 10 3 145.19 8.60 -2 10 -3 153.78 8.50 -2 10 -3 149.79 8.60 2 10 3 161.68 9.80 -3 -10 -3 19.10 2.50 3 -10 3 15.70 2.00 -3 -10 -3 19.70 3.00 -3 -10 -3 17.60 2.20 3 -10 3 20.50 2.50 -3 10 -3 16.50 3.00 3 10 3 22.50 3.90 -3 10 -3 19.60 2.60 3 10 3 19.80 2.90 3 10 3 24.20 4.40 3 10 3 18.40 2.50 -4 -10 -3 248.18 11.10 -4 -10 -3 237.28 11.30 4 10 3 222.18 11.50 4 10 3 231.68 12.80 -4 10 -3 211.68 10.80 4 10 3 233.48 13.50 -4 10 -3 224.88 11.90 -4 10 -3 228.18 11.10 -5 -10 -3 -1.00 1.40 -5 -10 -3 -0.10 1.50 5 10 3 -0.30 3.30 5 10 3 1.30 1.90 -5 10 -3 0.10 1.60 -5 10 -3 -0.80 1.40 -5 10 -3 -1.20 1.30 5 10 3 0.60 2.30 -6 -10 -3 4.70 2.10 -6 -10 -3 7.00 2.30 6 10 3 0.20 3.10 -6 10 -3 1.10 1.60 -6 10 -3 2.10 2.00 -6 10 -3 3.30 2.00 6 10 3 1.20 3.50 -6 10 -3 3.90 1.90 -7 -10 -3 1.80 1.90 -7 -10 -3 1.00 1.90 -7 10 -3 0.70 1.90 -7 10 -3 4.60 2.70 -7 10 -3 -1.90 1.80 7 10 3 1.30 2.90 -7 10 -3 -1.80 1.80 7 10 3 3.30 4.30 -8 -10 -3 2.50 2.10 -8 -10 -3 1.10 2.20 8 10 3 0.40 3.20 8 10 3 4.70 4.90 -8 10 -3 -0.20 2.20 -8 10 -3 1.50 2.20 -8 10 -3 5.60 2.40 -7 -11 3 -0.30 1.70 -7 -11 3 0.30 1.70 -7 -11 3 0.10 2.00 -7 11 3 1.30 1.80 7 11 -3 -0.70 4.30 7 11 -3 -2.30 2.40 -7 11 3 1.20 2.00 -7 11 3 -0.50 2.10 -6 -11 3 68.69 5.10 -6 -11 3 69.99 5.30 -6 -11 3 63.99 4.80 -6 11 3 57.49 4.70 -6 11 3 56.79 5.50 -6 11 3 64.99 4.70 6 11 -3 70.49 8.30 6 11 -3 62.09 6.80 -6 11 3 61.19 4.80 -5 -11 3 1.70 1.70 -5 -11 3 1.90 1.60 -5 -11 3 -2.30 1.20 -5 11 3 -1.90 1.40 -5 11 3 -0.10 1.20 5 11 -3 0.30 1.80 -5 11 3 1.00 2.10 -5 11 3 -0.30 1.50 5 11 -3 1.50 3.20 5 11 -3 1.60 2.20 -4 -11 3 11.50 2.20 -4 -11 3 11.80 2.70 -4 -11 3 13.30 2.60 4 11 -3 13.40 2.80 -4 11 3 11.30 3.00 4 11 -3 13.60 3.30 -4 11 3 9.60 2.40 4 11 -3 8.10 3.70 -4 11 3 13.60 3.90 -3 -11 3 7.80 1.70 -3 -11 3 6.30 1.80 -3 -11 3 8.90 2.10 3 11 -3 4.50 2.20 -3 11 3 9.40 2.00 -3 11 3 8.40 2.70 -3 11 3 12.30 3.30 3 11 -3 8.20 3.30 3 11 -3 3.70 1.90 -2 -11 3 36.00 3.00 2 -11 -3 28.30 3.10 -2 -11 3 30.80 2.50 2 -11 -3 30.60 2.50 -2 -11 3 32.30 3.20 2 11 -3 36.80 3.40 -2 11 3 40.10 4.90 -2 11 3 36.50 3.10 2 11 -3 31.80 3.60 2 11 -3 31.90 4.50 -2 11 3 32.20 3.90 -1 -11 3 6.80 1.40 -1 -11 3 7.90 1.90 -1 -11 3 5.90 1.70 1 -11 -3 5.40 1.80 1 -11 -3 5.40 1.50 1 11 -3 9.30 2.20 -1 11 3 4.50 1.60 1 11 -3 7.40 2.60 -1 11 3 8.30 3.10 0 -11 -3 100.49 6.00 0 -11 3 105.39 5.60 0 -11 -3 100.99 5.40 0 -11 3 99.59 5.20 0 -11 3 94.69 6.00 0 11 3 103.89 5.80 0 11 3 105.59 6.10 0 11 -3 100.29 6.50 0 11 -3 98.79 6.00 0 11 3 115.09 7.60 0 11 -3 102.69 7.20 -1 -11 -3 5.90 1.80 1 -11 3 8.00 2.10 1 -11 3 6.50 1.60 1 -11 3 3.80 1.20 -1 -11 -3 8.40 1.60 -1 11 -3 7.60 2.10 1 11 3 4.60 2.60 1 11 3 4.80 1.80 1 11 3 5.90 1.60 -1 11 -3 10.50 2.70 -1 11 -3 4.10 1.60 2 -11 3 24.60 2.50 -2 -11 -3 26.80 2.90 -2 -11 -3 27.30 3.30 -2 -11 -3 26.30 2.50 2 -11 3 22.60 2.40 -2 11 -3 29.40 4.10 2 11 3 30.00 4.80 -2 11 -3 26.10 2.90 -2 11 -3 27.60 3.80 2 11 3 26.50 2.80 2 11 3 25.40 3.40 3 -11 3 11.30 2.20 -3 -11 -3 13.90 2.60 -3 -11 -3 8.70 2.30 -3 -11 -3 10.40 2.00 3 -11 3 10.90 2.00 3 11 3 11.50 2.40 -3 11 -3 14.20 2.50 3 11 3 8.10 2.90 -3 11 -3 15.10 3.00 3 11 3 10.10 3.50 -4 -11 -3 8.50 2.40 -4 -11 -3 10.70 2.30 4 11 3 4.60 3.50 4 11 3 8.90 2.40 -4 11 -3 15.20 2.60 -4 11 -3 11.70 2.50 4 11 3 8.10 3.30 -4 11 -3 15.10 3.10 -5 -11 -3 25.30 3.40 -5 -11 -3 22.80 2.90 5 11 3 21.10 4.70 5 11 3 25.70 3.60 -5 11 -3 29.80 4.00 5 11 3 26.60 5.60 -5 11 -3 28.90 3.30 -5 11 -3 25.20 3.00 -6 -11 -3 56.09 4.70 -6 -11 -3 46.60 4.30 -6 11 -3 48.90 4.30 -6 11 -3 50.69 4.10 6 11 3 56.19 6.60 6 11 3 53.79 7.30 -6 11 -3 55.39 5.30 -7 -11 -3 22.40 3.60 -7 -11 -3 18.20 3.30 7 11 3 17.50 5.00 -7 11 -3 21.60 3.70 7 11 3 18.20 6.00 -7 11 -3 27.40 4.40 -7 11 -3 18.30 3.20 -7 11 -3 11.60 2.70 -7 -12 3 21.60 3.70 -7 12 3 16.20 3.80 7 12 -3 13.10 6.60 -7 12 3 12.50 2.70 -7 12 3 10.50 2.70 7 12 -3 12.90 4.00 -6 -12 3 3.70 2.20 -6 -12 3 6.20 2.20 -6 12 3 3.50 2.00 -6 12 3 4.80 1.80 6 12 -3 5.20 4.60 -6 12 3 3.10 2.40 6 12 -3 1.60 2.60 -5 -12 3 4.90 2.30 -5 -12 3 2.10 1.90 -5 12 3 2.60 1.90 -5 12 3 2.40 2.30 5 12 -3 1.30 3.60 5 12 -3 -0.40 2.10 -5 12 3 1.50 1.50 -5 12 3 0.40 1.60 -4 -12 3 6.60 2.10 -4 -12 3 9.50 2.40 4 12 -3 10.80 4.00 4 12 -3 6.50 3.00 -4 12 3 11.70 3.00 4 12 -3 7.40 2.30 -4 12 3 25.20 3.00 -3 -12 3 226.88 11.00 -3 -12 3 218.48 10.60 -3 12 3 214.98 12.00 3 12 -3 212.78 13.10 -3 12 3 209.28 12.40 -3 12 3 213.28 10.70 3 12 -3 221.98 11.20 2 -12 -3 9.10 2.30 2 -12 -3 9.50 1.70 -2 -12 3 4.40 1.90 -2 -12 3 8.50 1.90 -2 12 3 10.30 2.00 -2 12 3 19.30 3.80 2 12 -3 7.10 2.10 2 12 -3 6.50 3.20 -2 12 3 6.30 2.60 1 -12 -3 72.69 4.40 -1 -12 3 79.29 4.80 -1 -12 3 75.99 5.10 1 -12 -3 70.39 5.20 1 12 -3 83.79 5.30 -1 12 3 77.09 6.50 1 12 -3 72.79 6.30 -1 12 3 76.99 4.90 0 -12 -3 11.00 1.80 0 -12 3 11.30 2.20 0 -12 -3 12.20 2.30 0 12 -3 12.40 2.20 0 12 3 8.70 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1.80 -7 12 -4 1.20 2.00 7 12 4 -0.30 3.90 -7 12 -4 0.30 2.40 7 12 4 -0.90 2.70 -7 12 -4 0.90 2.00 -7 -13 4 74.49 5.80 7 13 -4 76.59 7.90 7 13 -4 101.59 10.50 -7 13 4 74.89 6.70 -7 13 4 79.39 5.90 -6 -13 4 38.70 4.00 -6 -13 4 44.20 4.40 -6 13 4 36.20 4.90 -6 13 4 35.80 3.90 6 13 -4 35.90 5.80 6 13 -4 37.70 7.70 -5 -13 4 35.40 3.60 -5 -13 4 31.20 3.60 5 13 -4 25.40 5.70 -5 13 4 30.30 3.50 -5 13 4 29.00 4.70 -4 -13 4 48.90 4.40 -4 -13 4 59.19 4.50 4 13 -4 46.00 4.60 -4 13 4 59.39 5.80 4 13 -4 55.29 6.90 -3 -13 4 90.19 6.00 3 -13 -4 87.19 5.00 -3 -13 4 89.49 5.60 3 13 -4 93.19 8.10 3 13 -4 83.59 6.00 -3 13 4 98.49 8.10 -3 13 4 78.89 5.60 -3 13 4 88.99 6.80 2 -13 -4 1.40 1.20 2 -13 -4 2.40 1.80 -2 -13 4 1.00 1.70 -2 -13 4 4.40 1.80 -2 13 4 5.30 3.20 2 13 -4 3.10 1.70 -2 13 4 4.90 1.80 2 13 -4 2.70 2.80 -2 13 4 4.50 2.50 1 -13 -4 265.97 11.90 -1 -13 4 263.57 12.90 -1 -13 4 265.07 12.40 1 -13 -4 267.37 13.00 -1 13 4 274.97 12.60 -1 13 4 273.17 14.90 1 13 -4 253.67 13.20 1 13 -4 260.47 12.80 1 13 -4 260.47 14.50 0 -13 4 15.40 2.70 0 -13 4 11.30 2.10 0 -13 -4 8.60 2.40 0 -13 -4 10.40 1.90 0 13 -4 10.20 2.60 0 13 -4 13.60 2.70 0 13 -4 8.80 3.00 0 13 4 12.10 3.70 0 13 4 13.90 2.40 1 -13 4 48.70 4.10 1 -13 4 50.19 3.70 -1 -13 -4 51.69 4.30 -1 -13 -4 50.69 3.70 -1 13 -4 39.30 5.00 -1 13 -4 44.50 4.10 1 13 4 48.30 3.90 1 13 4 48.40 5.60 -1 13 -4 45.50 4.50 2 -13 4 9.30 2.00 -2 -13 -4 6.70 2.00 -2 -13 -4 6.10 2.10 2 13 4 4.20 3.10 -2 13 -4 9.30 2.60 -2 13 -4 6.50 2.20 2 13 4 5.70 2.00 -3 -13 -4 3.70 2.10 -3 -13 -4 4.20 2.40 -3 -13 -4 0.30 1.40 3 -13 4 1.50 1.50 -3 13 -4 1.70 1.80 3 13 4 5.30 2.70 -3 13 -4 3.20 2.30 3 13 4 3.40 1.90 3 13 4 -1.10 2.60 -4 -13 -4 21.70 3.60 -4 -13 -4 20.80 3.10 -4 13 -4 19.30 3.30 -4 13 -4 22.00 4.00 -4 13 -4 23.40 2.90 4 13 4 23.40 5.50 4 13 4 19.90 4.10 4 13 4 22.70 3.70 -5 -13 -4 102.69 6.30 -5 -13 -4 85.89 6.40 5 13 4 89.19 7.90 -5 13 -4 98.69 6.20 5 13 4 93.49 8.80 -5 13 -4 83.19 6.90 -6 -13 -4 3.50 2.10 -6 -13 -4 -0.90 1.70 6 13 4 1.10 4.10 -6 13 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6.00 6 11 5 97.99 8.20 6 11 5 92.69 8.90 -7 -11 -5 18.40 3.30 -7 -11 -5 12.70 3.00 7 11 5 14.30 4.50 -7 11 -5 16.40 3.00 -7 11 -5 16.50 3.00 -7 11 -5 12.70 3.40 -7 11 -5 22.10 3.80 7 11 5 18.60 6.10 -7 -12 5 1.20 1.90 -7 12 5 2.60 2.50 7 12 -5 4.70 4.80 -7 12 5 0.10 1.90 7 12 -5 -0.50 2.60 -6 -12 5 11.70 2.60 -6 -12 5 12.60 2.80 -6 -12 5 12.40 2.70 6 12 -5 8.70 4.90 -6 12 5 16.70 3.70 6 12 -5 11.40 3.70 -6 12 5 14.90 2.70 -5 -12 5 5.50 2.30 -5 -12 5 3.10 2.00 -5 -12 5 1.50 1.70 -5 12 5 2.50 1.50 -5 12 5 1.00 1.70 -5 12 5 3.50 2.60 5 12 -5 9.20 4.70 5 12 -5 7.00 3.20 -4 -12 5 5.60 1.90 -4 -12 5 2.50 1.40 -4 -12 5 3.50 1.90 4 12 -5 -1.30 2.80 -4 12 5 7.30 2.10 -4 12 5 4.40 2.60 4 12 -5 2.60 1.80 -4 12 5 8.00 3.90 4 12 -5 -0.10 2.40 -3 -12 5 42.00 3.60 -3 -12 5 36.70 3.60 -3 -12 5 43.20 3.30 -3 12 5 41.90 4.70 -3 12 5 36.00 5.10 3 12 -5 42.40 3.90 -3 12 5 39.70 3.60 3 12 -5 46.00 5.60 -2 -12 5 7.00 2.00 -2 -12 5 2.10 1.20 2 12 -5 6.60 1.90 2 12 -5 4.90 1.80 2 12 -5 5.30 2.80 1 -12 -5 14.60 2.00 1 -12 -5 10.10 2.30 -1 -12 5 14.60 2.70 -1 -12 5 15.00 2.10 -1 -12 5 15.80 2.50 -1 12 5 12.50 2.40 1 12 -5 12.40 2.50 -1 12 5 18.00 4.20 1 12 -5 12.60 2.60 1 12 -5 10.50 3.20 0 -12 5 21.10 2.40 0 -12 5 20.50 2.10 0 -12 -5 15.90 1.90 0 -12 5 18.20 2.70 0 -12 -5 20.30 3.10 0 12 -5 17.30 3.50 0 12 5 15.50 2.40 0 12 -5 10.10 2.50 0 12 -5 17.60 2.50 0 12 5 20.30 4.30 -1 -12 -5 8.80 2.20 1 -12 5 15.80 2.40 -1 -12 -5 12.30 2.00 1 -12 5 11.30 2.30 1 -12 5 11.50 1.90 -1 12 -5 5.40 2.00 1 12 5 10.40 2.70 1 12 5 8.40 1.90 -1 12 -5 7.40 2.20 1 12 5 13.40 3.80 -1 12 -5 8.00 2.40 -2 -12 -5 -0.90 1.30 -2 -12 -5 1.20 1.20 -2 -12 -5 0.30 1.70 2 -12 5 3.30 1.40 2 -12 5 4.80 1.60 2 12 5 1.00 1.40 -2 12 -5 0.70 1.80 2 12 5 2.50 1.90 -2 12 -5 6.40 2.20 2 12 5 5.20 2.90 -3 -12 -5 97.49 5.40 -3 -12 -5 78.39 5.70 -3 -12 -5 85.39 6.20 3 -12 5 88.19 5.60 3 -12 5 82.29 5.00 -3 12 -5 79.49 5.70 3 12 5 96.49 7.80 3 12 5 90.59 5.80 -3 12 -5 84.49 6.30 3 12 5 91.89 6.70 -4 -12 -5 1.80 1.80 -4 -12 -5 1.70 1.60 -4 12 -5 3.00 2.20 4 12 5 3.30 2.10 4 12 5 0.10 3.50 -4 12 -5 5.70 2.20 4 12 5 1.10 2.30 -4 12 -5 2.70 1.70 -5 -12 -5 6.60 2.10 -5 -12 -5 3.10 2.30 -5 12 -5 5.00 2.00 -5 12 -5 2.30 3.10 5 12 5 3.20 3.00 5 12 5 3.00 2.10 5 12 5 5.00 3.50 -5 12 -5 5.40 2.70 -6 -12 -5 15.50 3.20 -6 -12 -5 8.20 2.30 -6 12 -5 16.10 3.00 -6 12 -5 11.20 2.50 6 12 5 16.90 5.20 -6 12 -5 11.40 3.20 6 12 5 16.40 4.30 -7 -12 -5 0.60 1.80 -7 -12 -5 -0.30 2.10 -7 12 -5 -1.10 2.10 7 12 5 -1.60 2.70 -7 12 -5 1.30 2.00 7 12 5 -2.60 4.20 -7 12 -5 0.10 2.10 -7 12 -5 -0.10 1.70 -7 -13 5 60.39 5.40 -7 13 5 60.09 5.10 7 13 -5 67.39 7.20 -7 13 5 61.09 6.20 7 13 -5 55.89 9.20 -6 -13 5 8.00 2.40 -6 -13 5 8.10 2.80 -6 13 5 7.30 3.30 -6 13 5 10.70 2.50 6 13 -5 8.10 5.00 6 13 -5 8.70 3.90 -5 -13 5 -0.40 1.70 -5 -13 5 -0.20 2.00 -5 13 5 0.30 2.40 5 13 -5 -0.30 3.70 -5 13 5 3.80 1.90 -4 -13 5 170.78 9.20 -4 -13 5 184.08 9.80 4 13 -5 178.88 12.30 -4 13 5 171.78 10.40 -3 -13 5 51.29 4.50 -3 -13 5 53.59 4.10 -3 13 5 45.00 5.00 -3 13 5 38.30 5.80 3 13 -5 43.80 4.30 3 13 -5 44.90 5.90 -3 13 5 44.90 5.90 2 -13 -5 48.50 3.40 2 -13 -5 45.50 4.00 -2 -13 5 46.10 4.30 -2 -13 5 46.90 3.90 -2 13 5 55.09 5.80 2 13 -5 49.60 4.30 -2 13 5 49.40 3.90 2 13 -5 57.89 4.70 2 13 -5 47.70 5.70 -1 -13 5 112.19 6.30 1 -13 -5 99.99 6.60 1 -13 -5 105.19 5.70 -1 -13 5 111.39 6.80 1 13 -5 103.39 6.90 -1 13 5 115.29 8.70 1 13 -5 99.09 6.50 -1 13 5 111.29 6.30 1 13 -5 119.49 8.20 0 -13 -5 45.00 3.20 0 -13 5 39.30 3.80 0 -13 5 45.50 3.50 0 -13 -5 39.20 3.80 0 13 5 44.10 6.20 0 13 -5 51.89 5.30 0 13 5 46.70 3.70 0 13 -5 37.30 3.70 0 13 -5 35.30 4.10 -1 -13 -5 3.60 1.90 1 -13 5 6.60 1.80 -1 -13 -5 3.40 1.50 1 -13 5 4.50 1.90 -1 13 -5 3.40 1.90 1 13 5 2.30 2.90 -1 13 -5 8.00 3.10 -1 13 -5 0.70 1.90 1 13 5 3.80 1.60 -2 -13 -5 69.19 5.60 2 -13 5 63.59 4.30 -2 -13 -5 62.59 4.90 -2 -13 -5 71.39 4.50 -2 13 -5 74.49 5.90 2 13 5 61.29 5.60 -2 13 -5 58.99 4.80 2 13 5 65.29 4.70 2 13 5 56.19 6.30 3 -13 5 0.20 1.20 -3 -13 -5 1.00 1.90 -3 -13 -5 2.40 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22 3.40 2.60 5 9 22 3.50 3.10 -5 9 -22 2.30 2.20 -5 9 -22 3.00 2.20 5 9 22 3.80 3.70 -6 -9 -22 3.80 2.60 6 -9 22 5.10 2.70 -6 -9 -22 2.40 2.60 -6 9 -22 5.30 2.30 6 9 22 8.00 4.00 -6 9 -22 4.70 2.80 -6 9 -22 3.50 2.30 -7 -9 -22 0.70 2.40 -7 9 -22 -2.30 2.00 -7 9 -22 0.50 2.80 7 9 22 -3.70 3.40 -7 9 -22 2.20 2.00 -6 -10 22 7.30 2.40 -6 -10 22 9.60 2.70 -6 10 22 8.60 5.50 6 10 -22 10.80 6.60 -6 10 22 5.10 5.20 -5 -10 22 0.30 1.60 -5 -10 22 -0.30 1.90 5 10 -22 -2.00 4.90 -5 10 22 -0.90 4.80 -5 10 22 -3.00 4.50 -4 -10 22 8.30 2.30 -4 -10 22 1.70 2.00 4 10 -22 -4.10 4.20 -4 10 22 5.70 4.80 -4 10 22 -2.20 3.80 3 -10 -22 188.48 11.20 -3 -10 22 175.68 9.60 -3 -10 22 192.48 9.50 -3 10 22 164.28 14.00 -3 10 22 182.38 13.10 3 10 -22 203.18 14.40 -3 10 22 196.28 11.50 3 10 -22 182.58 10.00 2 -10 -22 44.20 5.10 -2 -10 22 48.30 4.30 -2 -10 22 44.60 3.80 2 10 -22 48.60 7.60 -2 10 22 60.69 7.80 2 10 -22 49.70 4.40 -2 10 22 50.09 6.80 -2 10 22 44.20 6.00 -1 -10 22 24.80 3.20 -1 -10 22 25.60 4.20 -1 -10 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4.30 -3 -6 25 41.90 3.30 3 -6 -25 44.40 6.40 3 6 -25 52.89 9.50 -3 6 25 38.50 7.60 -3 6 25 31.50 6.90 3 6 -25 41.90 3.70 -3 6 25 40.70 5.30 -2 -6 25 3.30 1.40 -2 -6 25 1.10 1.90 2 -6 -25 2.80 3.50 2 -6 -25 2.30 2.00 -2 -6 25 5.30 1.80 2 6 -25 1.40 1.50 -2 6 25 -0.20 4.20 -2 6 25 7.40 4.30 2 6 -25 -3.00 4.30 -2 6 25 1.60 2.50 1 -6 -25 16.10 3.10 -1 -6 25 17.90 3.30 1 -6 -25 18.40 3.90 -1 -6 25 18.60 2.80 -1 -6 25 18.00 2.10 -1 6 25 18.80 5.80 1 6 -25 21.90 2.60 -1 6 25 19.90 4.00 -1 6 25 19.50 5.20 0 -6 25 2.00 2.10 0 -6 25 2.90 1.30 0 -6 -25 -1.10 2.20 0 -6 -25 2.70 2.10 0 -6 25 1.90 1.50 0 6 25 -0.70 2.40 0 6 -25 -0.40 1.50 0 6 -25 3.30 1.60 0 6 25 7.50 4.30 0 6 25 2.10 3.50 1 -6 25 621.34 28.10 1 -6 25 638.84 27.00 -1 -6 -25 635.84 27.80 -1 -6 -25 637.44 28.30 1 -6 25 680.73 26.40 -1 -6 -25 647.84 26.60 1 6 25 679.93 29.60 1 6 25 644.34 30.20 -1 6 -25 641.74 26.30 1 6 25 621.54 28.50 -1 6 -25 605.54 27.00 -1 6 -25 607.54 26.80 -2 -6 -25 2.10 1.50 2 -6 25 -0.40 1.40 2 -6 25 2.20 2.20 -2 -6 -25 2.10 2.00 2 6 25 1.70 2.60 -2 6 -25 2.80 2.10 2 6 25 0.10 2.80 -2 6 -25 0.10 1.40 2 6 25 1.80 3.00 -2 6 -25 1.00 1.30 -3 -6 -25 102.69 6.60 3 -6 25 94.89 6.20 -3 -6 -25 99.69 6.00 3 -6 25 99.09 7.20 -3 6 -25 92.89 6.40 -3 6 -25 93.29 5.70 3 6 25 91.49 7.10 3 6 25 87.69 7.70 -3 6 -25 94.39 5.90 3 6 25 99.49 7.70 4 -6 25 0.40 2.20 4 -6 25 0.00 1.80 -4 -6 -25 0.30 1.60 -4 -6 -25 0.50 1.90 -4 6 -25 -0.60 1.30 -4 6 -25 -0.80 1.30 4 6 25 0.50 3.10 4 6 25 -1.50 2.10 -4 6 -25 1.50 1.60 -4 6 -25 -0.40 1.90 5 -6 25 16.70 3.50 -5 -6 -25 10.70 3.10 -5 -6 -25 14.10 3.10 -5 6 -25 12.30 2.80 -5 6 -25 10.40 2.30 -5 6 -25 5.00 2.80 5 6 25 8.60 3.70 -6 -6 -25 0.80 2.10 -6 -6 -25 0.50 2.30 -6 6 -25 1.70 2.20 -6 6 -25 1.30 2.00 6 6 25 3.80 3.50 -6 6 -25 0.50 1.60 -7 -6 -25 184.28 10.50 -7 -6 -25 177.88 10.70 7 6 25 176.58 12.80 -7 6 -25 188.48 10.50 -7 6 -25 165.88 11.30 -7 6 -25 212.88 10.50 -7 -7 25 -5.30 3.30 -7 -7 25 1.70 2.10 7 7 -25 2.20 8.40 -7 7 25 1.40 5.00 -7 7 25 6.20 6.20 -6 -7 25 241.68 12.70 -6 -7 25 253.57 15.00 6 7 -25 244.18 16.90 -6 7 25 242.88 17.60 6 7 -25 260.07 19.70 -6 7 25 247.48 18.10 -5 -7 25 -0.40 1.40 -5 -7 25 -1.20 2.50 -5 -7 25 0.30 1.60 -5 7 25 1.10 4.70 5 7 -25 -0.90 5.20 5 7 -25 4.60 6.00 5 7 -25 0.70 1.70 -5 7 25 -11.00 3.90 -4 -7 25 31.70 3.30 4 -7 -25 38.90 6.40 -4 -7 25 28.90 3.40 -4 -7 25 36.30 5.70 -4 7 25 46.20 5.70 4 7 -25 37.50 3.80 4 7 -25 32.30 8.00 -4 7 25 33.20 7.30 -4 7 25 28.50 7.20 -3 -7 25 3.00 1.90 3 -7 -25 9.60 2.80 3 -7 -25 4.80 3.20 -3 -7 25 6.40 1.90 -3 7 25 8.80 4.90 -3 7 25 5.60 5.50 3 7 -25 6.80 2.10 3 7 -25 10.20 5.80 -3 7 25 7.60 3.10 -2 -7 25 127.19 6.70 2 -7 -25 123.69 9.10 -2 -7 25 134.79 7.60 2 -7 -25 134.19 8.10 -2 -7 25 134.29 8.10 -2 7 25 135.09 10.70 -2 7 25 122.39 11.20 2 7 -25 129.79 11.10 2 7 -25 133.19 7.50 -2 7 25 137.89 9.30 -1 -7 25 38.40 3.00 1 -7 -25 42.60 5.40 1 -7 -25 36.30 4.00 -1 -7 25 42.20 3.60 -1 -7 25 42.10 4.40 -1 7 25 39.50 5.10 -1 7 25 32.60 6.20 -1 7 25 46.50 7.40 1 7 -25 44.70 3.70 0 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4.50 2.30 -5 -7 -25 7.20 2.70 5 -7 25 4.70 2.40 -5 7 -25 3.20 2.60 -5 7 -25 3.90 2.10 -5 7 -25 3.60 2.00 5 7 25 -0.60 2.80 -6 -7 -25 167.28 9.80 -6 -7 -25 157.58 9.20 6 -7 25 171.88 10.40 -6 7 -25 147.19 9.90 6 7 25 168.18 11.80 -6 7 -25 158.68 8.90 -6 7 -25 162.38 9.30 -7 -7 -25 0.30 2.00 -7 -7 -25 2.30 2.70 -7 7 -25 6.90 3.10 -7 7 -25 1.60 3.10 7 7 25 6.60 4.00 -7 7 -25 3.40 2.30 -6 -8 25 33.10 3.90 -6 -8 25 39.90 6.40 -6 8 25 39.60 8.30 -6 8 25 29.60 8.10 6 8 -25 30.30 9.10 -5 -8 25 -1.40 1.50 -5 -8 25 0.00 1.90 5 8 -25 2.70 6.10 -5 8 25 -5.70 4.10 -5 8 25 -2.10 3.90 -4 -8 25 89.39 6.00 -4 -8 25 82.09 5.40 -4 8 25 74.99 7.40 -4 8 25 70.59 8.60 4 8 -25 93.39 6.10 -4 8 25 76.99 10.00 4 8 -25 79.49 10.40 3 -8 -25 10.50 3.00 -3 -8 25 7.50 2.20 -3 -8 25 3.90 1.60 -3 8 25 6.00 5.30 3 8 -25 4.10 5.20 -3 8 25 7.70 3.60 -3 8 25 1.80 4.70 3 8 -25 7.40 2.20 2 -8 -25 30.00 4.10 -2 -8 25 25.90 3.30 -2 -8 25 30.70 3.00 -2 8 25 36.30 5.70 -2 8 25 19.00 5.60 -2 8 25 15.60 5.90 2 8 -25 32.00 3.40 2 8 -25 25.80 6.40 -1 -8 25 5.90 2.60 1 -8 -25 11.50 3.20 -1 -8 25 9.70 2.40 -1 -8 25 13.10 2.10 -1 8 25 7.80 4.20 -1 8 25 3.90 2.80 -1 8 25 2.00 4.30 1 8 -25 11.10 2.40 0 -8 -25 5.40 2.50 0 -8 25 6.40 2.70 0 -8 25 4.90 1.60 0 -8 25 4.80 2.00 0 8 25 3.00 4.10 0 8 25 3.60 4.00 0 8 -25 4.20 1.90 0 8 -25 6.10 1.90 0 8 25 7.00 3.00 -1 -8 -25 141.59 7.50 1 -8 25 144.59 9.10 1 -8 25 142.39 7.80 1 -8 25 146.09 7.10 -1 -8 -25 129.79 8.30 1 8 25 141.89 10.10 -1 8 -25 142.99 7.80 1 8 25 120.79 9.90 -1 8 -25 136.89 7.70 1 8 25 137.69 9.30 -2 -8 -25 245.68 13.10 2 -8 25 261.77 11.70 2 -8 25 243.18 12.50 -2 -8 -25 255.97 12.20 2 -8 25 264.97 14.10 -2 8 -25 252.97 12.70 -2 8 -25 264.67 11.80 2 8 25 243.08 13.90 2 8 25 244.98 14.50 -2 8 -25 250.77 12.30 2 8 25 283.87 15.30 3 -8 25 8.00 3.30 3 -8 25 14.50 2.90 -3 -8 -25 15.60 3.50 -3 -8 -25 22.90 3.30 -3 8 -25 17.20 2.60 -3 8 -25 19.80 3.20 -3 8 -25 19.20 3.40 3 8 25 18.90 4.00 3 8 25 18.60 4.70 3 8 25 14.40 5.00 4 -8 25 -1.70 2.00 -4 -8 -25 1.20 2.40 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-25 629.74 26.70 -1 -9 25 573.54 25.20 -1 -9 25 570.84 24.50 -1 9 25 562.94 28.20 -1 9 25 600.14 27.70 -1 9 25 529.55 28.60 1 9 -25 605.14 25.50 0 -9 25 0.60 1.70 0 -9 -25 1.90 2.20 0 -9 25 -1.60 1.90 0 -9 25 -0.80 1.40 0 9 25 -0.20 2.40 0 9 25 0.70 3.70 0 9 -25 -1.80 1.40 0 9 -25 0.70 1.70 0 9 25 -7.20 4.00 1 -9 25 109.39 8.20 -1 -9 -25 112.59 7.80 -1 -9 -25 114.69 6.70 1 -9 25 123.39 6.50 1 -9 25 117.99 7.10 1 9 25 128.89 9.90 -1 9 -25 125.29 7.20 -1 9 -25 119.79 7.00 1 9 25 116.89 8.50 1 9 25 101.19 8.80 2 -9 25 7.50 2.00 2 -9 25 10.70 3.30 -2 -9 -25 10.30 3.00 -2 -9 -25 5.20 2.10 2 -9 25 8.50 2.50 2 9 25 4.10 3.20 -2 9 -25 10.20 2.60 -2 9 -25 8.90 2.00 2 9 25 7.80 3.50 2 9 25 4.60 3.90 -2 9 -25 9.00 2.70 -3 -9 -25 3.50 2.10 3 -9 25 3.50 2.00 -3 -9 -25 2.80 2.60 3 9 25 -2.50 2.30 -3 9 -25 -1.40 1.60 3 9 25 1.40 3.30 3 9 25 -0.10 2.90 -3 9 -25 0.00 2.00 -3 9 -25 0.80 1.40 4 -9 25 -0.20 2.00 -4 -9 -25 -3.40 1.70 -4 -9 -25 -1.70 1.80 -4 9 -25 1.00 2.30 -4 9 -25 -1.20 1.30 4 9 25 -4.80 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10 -25 68.39 5.10 0 -10 25 285.37 15.20 0 -10 25 310.87 13.30 0 -10 25 285.07 13.70 0 -10 -25 292.67 15.00 0 10 25 289.37 16.80 0 10 -25 280.07 13.90 0 10 25 269.77 16.60 0 10 25 281.97 16.10 0 10 -25 290.77 13.80 -1 -10 -25 51.79 4.30 1 -10 25 57.99 4.80 1 -10 25 43.90 5.70 -1 -10 -25 56.49 5.50 1 -10 25 55.59 4.00 -1 10 -25 56.79 4.70 1 10 25 52.79 6.20 1 10 25 46.60 6.60 1 10 25 52.09 6.30 -1 10 -25 54.59 4.70 -2 -10 -25 107.59 7.00 2 -10 25 113.89 7.20 -2 -10 -25 125.79 8.10 2 -10 25 109.19 6.60 -2 10 -25 103.09 7.00 -2 10 -25 115.59 7.40 2 10 25 120.09 8.90 -2 10 -25 123.09 6.60 2 10 25 117.49 9.10 2 10 25 124.39 9.40 -3 -10 -25 1.10 2.10 -3 -10 -25 0.70 2.30 3 -10 25 0.30 1.70 -3 10 -25 1.00 2.30 3 10 25 -0.50 3.40 -3 10 -25 -1.30 1.30 3 10 25 2.50 3.00 3 10 25 -1.60 2.60 -4 -10 -25 10.00 3.50 -4 -10 -25 9.00 2.80 4 -10 25 10.90 3.20 4 10 25 15.80 4.50 -4 10 -25 9.00 2.90 -4 10 -25 7.70 2.20 4 10 25 8.60 4.00 -5 -10 -25 -0.10 2.60 -5 -10 -25 3.40 2.20 5 -10 25 0.80 2.40 -5 10 -25 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-1 1 -28 219.68 11.10 1 1 28 217.98 10.20 -2 -1 -28 5.40 2.50 -2 -1 -28 4.00 3.50 -2 -1 -28 2.40 1.30 2 -1 28 2.50 2.70 2 -1 28 6.20 2.50 2 -1 28 5.30 1.70 2 1 28 -1.10 2.40 -2 1 -28 7.50 2.60 2 1 28 5.70 2.50 -2 1 -28 4.30 1.50 2 1 28 4.40 1.60 3 -1 28 175.38 10.00 -3 -1 -28 178.68 10.00 -3 -1 -28 177.98 8.80 3 -1 28 182.48 9.30 3 -1 28 195.38 11.10 3 1 28 160.28 10.70 -3 1 -28 180.38 8.90 3 1 28 186.38 9.30 3 1 28 181.98 10.20 -3 1 -28 154.48 9.50 -4 -1 -28 25.00 3.00 4 -1 28 28.40 4.60 4 -1 28 19.60 3.80 -4 -1 -28 19.80 3.90 4 -1 28 28.80 3.60 4 1 28 41.10 5.80 4 1 28 26.30 3.30 -4 1 -28 24.30 4.20 4 1 28 19.30 3.60 -4 1 -28 30.30 3.30 -5 -1 -28 24.10 3.40 5 -1 28 21.90 3.70 -5 -1 -28 18.50 3.70 -5 1 -28 22.30 3.60 5 1 28 18.90 3.60 -5 1 -28 22.00 4.20 5 1 28 25.80 4.80 -5 1 -28 22.60 3.40 -6 -1 -28 -0.10 2.40 -6 -1 -28 2.20 2.20 6 1 28 0.40 3.00 -6 1 -28 3.30 2.40 -6 1 -28 -1.40 2.60 -6 1 -28 -2.00 1.60 -7 -1 -28 90.59 6.60 -7 -1 -28 84.89 7.40 -7 1 -28 110.09 6.70 7 1 28 100.29 9.00 -7 1 -28 106.59 6.90 -7 1 -28 89.39 7.70 -7 -2 28 17.60 3.40 -7 -2 28 10.80 5.60 7 -2 -28 13.80 5.20 -7 2 28 8.50 2.60 7 2 -28 2.90 4.20 -7 2 28 8.70 7.40 -7 2 28 11.40 5.30 -6 -2 28 1.70 1.80 6 -2 -28 3.00 4.10 -6 -2 28 2.80 3.90 -6 2 28 10.70 6.80 -6 2 28 8.60 2.50 6 2 -28 3.20 4.50 -6 2 28 8.40 5.00 5 -2 -28 124.29 10.40 -5 -2 28 128.79 11.20 -5 -2 28 132.09 7.80 -5 2 28 134.89 11.60 -5 2 28 129.79 12.50 5 2 -28 113.09 10.10 -5 2 28 133.29 7.40 -4 -2 28 3.50 1.70 -4 -2 28 3.20 3.60 4 -2 -28 1.40 3.60 4 2 -28 -3.10 3.50 -4 2 28 -4.60 4.80 -4 2 28 5.00 4.50 -4 2 28 0.70 1.40 -3 -2 28 267.87 12.60 -3 -2 28 279.47 16.40 3 -2 -28 259.07 15.50 -3 2 28 255.77 12.00 -3 2 28 266.57 17.20 -3 2 28 251.37 16.80 -3 2 28 264.67 13.60 3 2 -28 260.97 16.10 -2 -2 28 169.48 9.10 2 -2 -28 192.38 9.60 2 -2 -28 182.88 12.00 -2 -2 28 177.78 9.80 -2 -2 28 196.98 13.10 -2 2 28 191.18 13.30 -2 2 28 176.18 13.40 2 2 -28 189.68 12.80 -2 2 28 188.98 10.70 -2 2 28 183.38 8.80 -1 -2 28 338.07 18.70 -1 -2 28 326.27 17.70 1 -2 -28 320.87 17.70 -1 -2 28 308.27 15.20 1 -2 -28 330.57 15.10 -1 -2 28 344.97 14.80 -1 2 28 314.97 14.20 1 2 -28 346.17 14.90 -1 2 28 337.07 17.80 -1 2 28 329.47 16.00 1 2 -28 310.97 18.20 -1 2 28 291.97 18.40 0 -2 28 23.90 2.60 0 -2 -28 31.50 3.60 0 -2 28 27.00 3.60 0 -2 -28 34.80 5.50 0 -2 28 28.70 5.40 0 2 28 20.30 5.50 0 2 -28 34.90 3.40 0 2 28 35.10 4.40 0 2 28 28.50 5.10 0 2 28 29.80 2.60 1 -2 28 167.68 9.40 -1 -2 -28 146.79 10.20 1 -2 28 168.78 10.60 1 -2 28 165.08 8.30 -1 -2 -28 148.49 8.80 1 2 28 148.49 9.50 1 2 28 165.28 11.10 -1 2 -28 156.98 8.80 1 2 28 155.88 9.30 1 2 28 174.48 8.00 2 -2 28 7.60 2.00 -2 -2 -28 8.70 1.80 2 -2 28 7.90 2.60 2 -2 28 7.50 3.20 -2 -2 -28 8.10 3.60 -2 -2 -28 8.30 2.70 -2 2 -28 9.30 1.70 -2 2 -28 11.70 3.00 2 2 28 10.60 2.20 2 2 28 10.20 2.90 2 2 28 11.70 3.90 3 -2 28 56.39 5.50 3 -2 28 52.69 5.10 3 -2 28 58.19 4.40 -3 -2 -28 56.99 4.00 -3 -2 -28 43.90 4.60 -3 2 -28 47.30 4.60 3 2 28 62.09 5.40 3 2 28 56.29 5.80 -3 2 -28 49.99 3.90 3 2 28 49.80 4.10 4 -2 28 12.90 3.30 -4 -2 -28 16.70 3.50 -4 -2 -28 11.80 2.60 4 -2 28 14.90 3.20 -4 2 -28 14.90 2.40 -4 2 -28 15.10 3.40 4 2 28 16.70 4.30 4 2 28 8.20 2.60 -4 2 -28 11.20 2.30 4 2 28 12.70 2.90 5 -2 28 74.19 6.00 -5 -2 -28 67.99 5.30 -5 -2 -28 72.49 6.10 -5 2 -28 69.39 5.20 -5 2 -28 68.29 6.20 -5 2 -28 76.79 5.10 5 2 28 58.09 5.70 -5 2 -28 68.69 5.10 5 2 28 72.39 7.20 -6 -2 -28 18.30 4.00 -6 -2 -28 19.50 3.40 -6 2 -28 17.30 3.00 -6 2 -28 17.20 3.20 -6 2 -28 21.80 4.40 6 2 28 19.50 4.90 -7 -2 -28 6.20 3.30 -7 -2 -28 2.10 2.30 -7 2 -28 5.10 2.40 7 2 28 4.00 3.70 -7 2 -28 -3.00 2.80 -7 2 -28 3.00 2.10 -7 -3 28 -0.40 1.80 7 -3 -28 -1.40 3.50 -7 -3 28 -3.00 3.40 -7 3 28 -2.10 4.80 7 3 -28 0.00 6.50 -7 3 28 -2.30 5.80 -6 -3 28 8.60 4.60 -6 -3 28 9.30 2.70 6 -3 -28 14.10 5.00 6 3 -28 19.10 6.30 -6 3 28 3.60 5.50 -6 3 28 12.50 5.30 -5 -3 28 6.20 2.30 -5 -3 28 7.80 4.10 5 -3 -28 4.20 4.00 5 3 -28 6.20 5.30 -5 3 28 10.10 4.90 -5 3 28 4.80 5.70 -4 -3 28 352.26 19.40 -4 -3 28 369.96 16.30 4 -3 -28 351.06 19.00 4 3 -28 356.56 20.10 -4 3 28 332.47 20.40 -4 3 28 312.57 20.80 -3 -3 28 2.90 4.00 3 -3 -28 4.20 3.60 -3 -3 28 1.10 1.60 -3 3 28 9.00 5.20 3 3 -28 3.40 4.30 -3 3 28 4.10 2.60 -3 3 28 4.70 4.70 -2 -3 28 3.00 1.50 -2 -3 28 3.50 2.30 2 -3 -28 11.90 4.50 -2 -3 28 8.30 4.20 2 -3 -28 4.80 2.00 -2 3 28 3.10 2.70 2 3 -28 5.50 5.00 -2 3 28 -6.20 3.60 -2 3 28 0.30 4.30 -1 -3 28 6.60 4.20 -1 -3 28 -0.80 1.90 1 -3 -28 1.20 2.90 -1 -3 28 2.30 1.50 1 -3 -28 4.30 2.10 -1 -3 28 -0.10 4.00 1 3 -28 1.60 1.80 -1 3 28 3.00 2.80 -1 3 28 5.00 4.30 -1 3 28 0.10 4.20 0 -3 -28 87.59 5.90 0 -3 28 76.19 6.00 0 -3 28 84.79 5.30 0 -3 28 105.99 8.40 0 -3 -28 97.39 7.50 0 3 -28 93.59 5.80 0 3 28 65.39 7.90 0 3 28 79.79 6.60 0 3 28 85.09 7.50 1 -3 28 1.60 2.60 -1 -3 -28 1.00 2.90 1 -3 28 -0.30 1.40 1 -3 28 -0.40 2.00 -1 -3 -28 1.10 2.00 1 3 28 -2.10 2.80 -1 3 -28 -0.70 1.90 1 3 28 0.70 3.10 1 3 28 -0.70 2.30 -2 -3 -28 351.56 14.90 2 -3 28 335.27 16.50 -2 -3 -28 340.47 16.10 2 -3 28 355.46 15.60 -2 3 -28 356.26 14.90 2 3 28 312.17 17.50 2 3 28 321.57 16.40 -2 3 -28 312.07 15.70 -3 -3 -28 5.90 2.60 -3 -3 -28 2.20 1.60 3 -3 28 3.90 2.50 3 -3 28 4.40 2.00 -3 3 -28 3.10 1.50 -3 3 -28 2.90 1.70 -3 3 -28 6.00 1.60 3 3 28 4.90 2.90 3 3 28 5.50 2.70 -3 3 -28 2.60 2.40 4 -3 28 1.70 2.10 -4 -3 -28 1.10 2.20 4 -3 28 -0.60 1.50 -4 -3 -28 1.00 1.60 -4 3 -28 1.50 1.40 -4 3 -28 -0.30 2.30 4 3 28 0.20 2.20 4 3 28 3.10 2.90 -4 3 -28 1.50 1.70 -4 3 -28 -1.20 1.20 -5 -3 -28 5.10 2.20 5 -3 28 4.70 2.60 -5 -3 -28 -0.30 2.40 5 3 28 1.10 2.90 -5 3 -28 2.50 2.00 5 3 28 3.90 2.70 -5 3 -28 8.10 2.40 -5 3 -28 5.50 3.10 -5 3 -28 4.90 1.90 -6 -3 -28 82.39 6.20 -6 -3 -28 92.39 7.20 6 3 28 79.19 7.80 -6 3 -28 78.49 7.10 -6 3 -28 96.59 6.20 -6 3 -28 83.49 6.00 -7 -3 -28 -1.40 1.90 -7 -3 -28 3.40 2.80 7 3 28 -0.10 3.00 -7 3 -28 -4.40 1.50 -7 3 -28 1.20 2.00 -7 3 -28 0.50 3.00 -7 -4 28 2.30 2.00 -7 -4 28 4.10 4.50 7 -4 -28 2.20 3.90 -7 4 28 -3.90 5.80 -7 4 28 -1.20 3.90 -6 -4 28 2.60 2.20 -6 -4 28 4.90 3.90 6 -4 -28 4.00 3.80 -6 4 28 1.80 5.80 6 4 -28 -0.60 4.50 -6 4 28 3.30 4.90 -5 -4 28 31.20 6.50 5 -4 -28 19.90 5.10 -5 -4 28 21.80 3.50 5 4 -28 23.30 6.90 -5 4 28 20.30 7.30 -5 4 28 18.60 6.30 -4 -4 28 42.70 7.00 4 -4 -28 35.80 6.40 -4 -4 28 35.90 3.60 -4 4 28 37.80 8.20 -4 4 28 40.20 8.40 4 4 -28 44.90 7.40 -4 4 28 33.80 6.50 3 -4 -28 -1.20 3.10 -3 -4 28 1.80 3.60 -3 -4 28 0.00 1.50 -3 4 28 2.20 5.00 -3 4 28 1.80 2.80 -3 4 28 -2.50 4.40 3 4 -28 -1.00 4.30 -2 -4 28 -1.20 3.40 -2 -4 28 -0.70 1.30 2 -4 -28 1.50 3.50 2 -4 -28 0.90 1.80 -2 -4 28 1.30 1.90 -2 4 28 0.20 2.50 -2 4 28 0.20 4.00 -2 4 28 1.80 4.20 1 -4 -28 572.94 24.00 1 -4 -28 516.65 25.60 -1 -4 28 523.55 24.00 -1 -4 28 527.95 23.30 -1 -4 28 555.94 26.80 -1 4 28 548.05 26.20 -1 4 28 547.95 27.70 -1 4 28 569.64 25.00 0 -4 28 -4.40 3.40 0 -4 28 -0.10 1.50 0 -4 -28 -0.70 2.50 0 -4 -28 3.80 2.20 0 -4 28 0.00 1.90 0 4 28 0.60 2.50 0 4 -28 -1.20 1.60 0 4 28 4.90 4.60 0 4 28 3.90 3.50 -1 -4 -28 110.89 6.80 -1 -4 -28 90.89 7.50 1 -4 28 103.89 6.10 1 -4 28 97.39 7.00 1 4 28 85.19 8.10 -1 4 -28 105.39 5.90 -1 4 -28 105.69 6.50 1 4 28 94.09 7.30 1 4 28 95.49 7.60 2 -4 28 -0.10 2.10 -2 -4 -28 2.10 1.30 2 -4 28 6.20 2.20 -2 -4 -28 2.40 2.30 2 4 28 2.00 3.70 2 4 28 4.80 2.60 -2 4 -28 2.60 2.20 2 4 28 2.40 3.10 -2 4 -28 3.70 1.70 -2 4 -28 1.10 1.50 -3 -4 -28 0.90 1.50 3 -4 28 -2.20 1.80 3 -4 28 1.60 1.90 -3 -4 -28 2.10 2.10 -3 4 -28 2.10 1.50 3 4 28 0.60 2.10 -3 4 -28 3.00 2.50 -3 4 -28 0.90 1.20 3 4 28 8.40 3.30 -3 4 -28 0.20 1.20 -4 -4 -28 19.30 3.80 -4 -4 -28 20.70 3.30 4 -4 28 18.70 5.00 4 -4 28 29.30 4.10 -4 4 -28 23.00 4.20 -4 4 -28 18.40 2.60 4 4 28 15.10 4.50 4 4 28 16.00 3.40 -4 4 -28 22.40 3.30 -4 4 -28 19.00 2.80 -5 -4 -28 290.07 14.80 5 -4 28 302.87 15.00 -5 -4 -28 284.57 14.00 -5 4 -28 286.27 13.90 -5 4 -28 273.37 14.80 -5 4 -28 298.87 13.70 5 4 28 282.17 16.30 5 4 28 291.97 14.80 -6 -4 -28 1.60 2.20 -6 -4 -28 3.30 2.60 -6 4 -28 2.00 2.00 -6 4 -28 -0.50 1.90 -6 4 -28 1.80 2.60 6 4 28 -6.20 2.30 -7 -4 -28 1.80 2.80 -7 -4 -28 -0.20 2.60 -7 4 -28 -2.30 2.40 -7 4 -28 3.80 2.80 7 4 28 0.20 3.00 -7 4 -28 0.80 2.00 -7 -5 28 -0.30 2.00 -7 -5 28 1.20 4.00 7 -5 -28 0.60 3.30 -7 5 28 2.00 6.00 -7 5 28 -4.40 5.20 -6 -5 28 -1.40 3.50 -6 -5 28 1.90 2.10 6 -5 -28 1.40 3.80 6 5 -28 5.00 4.80 -6 5 28 5.10 5.70 -6 5 28 3.80 5.20 -5 -5 28 1.00 1.80 -5 -5 28 -1.80 3.00 5 -5 -28 0.70 3.40 -5 5 28 7.30 5.10 -5 5 28 10.00 6.10 5 5 -28 7.00 4.80 -4 -5 28 207.78 12.90 4 -5 -28 180.68 11.90 -4 -5 28 170.78 9.50 4 5 -28 167.28 13.10 -4 5 28 169.38 13.70 -4 5 28 183.78 14.70 -4 5 28 196.48 12.10 3 -5 -28 8.00 4.20 -3 -5 28 12.50 4.60 -3 -5 28 7.50 2.30 -3 5 28 1.10 4.30 -3 5 28 2.80 2.80 -3 5 28 -1.20 4.70 2 -5 -28 20.80 3.40 -2 -5 28 10.40 4.40 -2 -5 28 12.80 2.60 2 -5 -28 11.00 4.00 -2 -5 28 10.10 2.70 -2 5 28 9.00 4.60 -2 5 28 16.40 3.80 -2 5 28 18.80 6.70 1 -5 -28 141.89 8.10 1 -5 -28 136.19 9.70 -1 -5 28 123.99 7.30 -1 -5 28 140.29 8.10 -1 5 28 118.79 10.60 1 5 -28 141.39 8.50 -1 5 28 125.79 10.10 -1 5 28 128.89 9.00 0 -5 28 43.70 3.40 0 -5 -28 41.60 4.20 0 -5 -28 37.30 5.60 0 -5 28 38.10 4.30 0 -5 28 34.20 3.50 0 5 28 39.90 7.30 0 5 -28 43.40 3.80 0 5 28 40.50 5.20 0 5 -28 43.10 3.60 0 5 28 43.70 6.50 1 -5 28 1.50 1.20 1 -5 28 2.60 1.80 1 -5 28 1.10 2.20 -1 -5 -28 6.60 2.40 -1 -5 -28 0.80 2.70 -1 5 -28 3.70 1.70 1 5 28 0.60 3.90 -1 5 -28 0.90 2.10 1 5 28 2.00 2.80 1 5 28 -0.20 3.30 2 -5 28 12.70 3.30 -2 -5 -28 11.80 2.20 -2 -5 -28 15.90 3.20 2 -5 28 16.10 2.80 -2 5 -28 9.60 2.20 2 5 28 14.50 3.70 2 5 28 11.80 4.40 -2 5 -28 18.20 3.50 2 5 28 18.50 4.70 3 -5 28 27.80 4.30 -3 -5 -28 27.90 4.10 3 -5 28 25.40 3.30 -3 -5 -28 30.70 3.20 3 5 28 24.20 4.20 3 5 28 33.30 5.50 -3 5 -28 32.80 3.30 -3 5 -28 30.90 4.00 -3 5 -28 32.40 3.10 -4 -5 -28 22.60 3.20 4 -5 28 15.10 3.30 -4 -5 -28 19.10 3.70 -4 5 -28 15.00 2.70 -4 5 -28 11.00 3.30 4 5 28 19.60 4.70 4 5 28 12.20 3.20 -4 5 -28 13.70 2.60 -4 5 -28 17.10 2.60 5 -5 28 109.59 7.50 -5 -5 -28 113.39 6.90 -5 -5 -28 117.29 7.80 -5 5 -28 106.99 6.60 -5 5 -28 105.09 7.80 -5 5 -28 108.19 6.90 5 5 28 105.79 8.80 -6 -5 -28 35.40 5.10 -6 -5 -28 23.20 3.70 6 5 28 22.90 5.50 -6 5 -28 30.20 3.60 -6 5 -28 29.00 5.10 -6 5 -28 31.50 3.60 -7 -5 -28 2.50 2.40 -7 -5 -28 1.40 2.50 -7 5 -28 0.90 3.10 -7 5 -28 1.90 2.10 -7 5 -28 -3.30 1.90 7 5 28 -2.10 2.90 6 -6 -28 9.80 4.90 -6 -6 28 12.40 3.00 -6 -6 28 6.20 4.30 -6 6 28 12.50 6.20 6 6 -28 9.30 5.70 -6 6 28 9.40 6.20 5 -6 -28 -3.80 2.90 -5 -6 28 2.70 1.90 -5 -6 28 3.10 3.50 -5 6 28 0.30 5.50 5 6 -28 -2.00 5.00 -5 6 28 0.10 4.80 -4 -6 28 15.70 3.00 4 -6 -28 16.20 5.10 -4 -6 28 11.20 4.10 -4 6 28 18.60 4.40 -4 6 28 11.10 5.40 -4 6 28 2.10 5.10 4 6 -28 9.60 6.00 -3 -6 28 10.90 2.40 3 -6 -28 7.40 3.90 -3 6 28 13.20 3.50 -3 6 28 5.40 4.70 -3 6 28 8.30 5.00 -2 -6 28 0.50 2.10 -2 -6 28 0.20 1.50 2 -6 -28 1.90 3.00 2 -6 -28 -2.20 1.80 -2 6 28 6.80 4.90 -2 6 28 -1.90 2.50 2 6 -28 1.70 1.60 -2 6 28 -3.00 3.80 1 -6 -28 3.20 3.60 1 -6 -28 3.20 2.30 -1 -6 28 3.30 1.80 -1 -6 28 3.80 2.30 -1 -6 28 3.20 1.40 -1 6 28 2.40 4.20 -1 6 28 4.60 3.10 1 6 -28 3.00 1.50 -1 6 28 1.50 4.30 0 -6 28 0.10 1.20 0 -6 28 4.90 1.80 0 -6 -28 0.50 2.10 0 -6 -28 6.00 3.40 0 -6 28 0.00 2.10 0 6 -28 0.90 1.90 0 6 -28 -0.80 1.30 0 6 28 6.50 3.30 0 6 28 5.00 3.90 0 6 28 16.20 4.70 1 -6 28 -2.20 1.80 1 -6 28 2.10 1.70 1 -6 28 -0.20 1.10 -1 -6 -28 -4.10 2.20 -1 -6 -28 1.40 2.20 1 6 28 5.50 4.10 1 6 28 5.50 3.80 -1 6 -28 -1.40 1.30 1 6 28 2.30 2.60 -1 6 -28 0.60 2.00 -2 -6 -28 2.00 1.60 2 -6 28 1.10 1.60 -2 -6 -28 1.30 2.20 2 -6 28 -1.50 2.10 2 6 28 -2.10 2.90 -2 6 -28 2.40 2.40 2 6 28 0.10 3.20 -2 6 -28 4.00 1.70 2 6 28 -0.30 2.30 -3 -6 -28 13.10 3.10 -3 -6 -28 6.50 1.90 3 -6 28 12.30 2.80 3 -6 28 12.80 3.30 -3 6 -28 10.90 2.30 -3 6 -28 10.20 2.10 3 6 28 5.10 3.40 3 6 28 5.80 3.20 -3 6 -28 15.30 3.30 -4 -6 -28 28.70 4.50 4 -6 28 23.50 3.80 -4 -6 -28 13.50 2.90 -4 6 -28 20.70 3.00 -4 6 -28 24.40 3.20 4 6 28 14.20 3.40 4 6 28 14.90 4.40 -4 6 -28 18.00 3.00 -4 6 -28 20.80 3.80 5 -6 28 4.30 2.30 -5 -6 -28 -0.60 1.70 -5 -6 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5.30 4.90 1 7 -28 12.20 2.60 -1 7 28 12.40 3.70 0 -7 -28 26.90 4.10 0 -7 28 17.30 2.40 0 -7 -28 8.10 3.10 0 -7 28 14.70 3.40 0 -7 28 20.80 3.20 0 7 -28 15.60 3.00 0 7 28 15.70 5.20 0 7 28 25.40 5.70 0 7 -28 22.60 2.90 0 7 28 12.00 3.60 1 -7 28 16.60 2.80 -1 -7 -28 9.90 3.00 1 -7 28 19.00 2.50 1 -7 28 11.60 3.20 -1 -7 -28 14.60 3.70 1 7 28 12.20 4.00 1 7 28 14.60 3.70 -1 7 -28 13.50 3.00 -1 7 -28 17.50 3.00 1 7 28 10.70 4.80 -2 -7 -28 0.70 1.50 -2 -7 -28 0.50 2.30 2 -7 28 4.40 2.00 2 -7 28 -4.50 1.90 -2 7 -28 3.10 2.30 2 7 28 2.80 3.50 2 7 28 1.50 2.80 2 7 28 -3.10 3.40 -2 7 -28 -1.40 1.40 -3 -7 -28 50.69 5.10 -3 -7 -28 49.99 4.30 3 -7 28 46.10 4.40 3 7 28 49.60 6.20 -3 7 -28 53.59 4.10 -3 7 -28 53.09 5.00 3 7 28 50.29 6.30 -3 7 -28 51.19 4.30 3 7 28 46.50 5.60 -4 -7 -28 -0.40 1.70 -4 -7 -28 -2.40 2.00 4 -7 28 0.50 2.10 -4 7 -28 1.30 1.80 -4 7 -28 3.00 2.60 4 7 28 1.50 3.10 -5 -7 -28 0.20 1.90 -5 -7 -28 -0.70 2.00 5 -7 28 4.20 2.30 5 7 28 2.90 3.40 -5 7 -28 0.20 2.50 -5 7 -28 3.70 2.10 -5 7 -28 3.20 1.80 -6 -7 -28 10.30 2.80 -6 -7 -28 15.30 3.60 6 -7 28 19.20 4.00 -6 7 -28 16.00 3.20 -6 7 -28 9.40 3.50 6 7 28 13.20 4.70 -6 7 -28 16.10 3.00 -6 -8 28 -1.00 2.00 -6 8 28 0.20 4.50 6 8 -28 -4.80 5.10 -6 8 28 4.80 6.40 6 8 -28 -8.20 6.00 -5 -8 28 36.20 3.90 -5 8 28 27.30 7.50 5 8 -28 42.80 9.10 5 8 -28 47.50 10.50 -5 8 28 35.50 8.60 -4 -8 28 -1.60 1.60 -4 8 28 8.00 5.20 -4 8 28 0.30 4.50 4 8 -28 -1.20 1.90 4 8 -28 -3.70 4.90 3 -8 -28 187.68 11.90 -3 -8 28 165.48 9.20 -3 -8 28 158.98 8.50 3 -8 -28 176.98 10.30 -3 8 28 165.08 13.00 -3 8 28 158.18 13.80 3 8 -28 168.58 14.20 3 8 -28 163.38 9.20 -2 -8 28 68.79 4.40 2 -8 -28 61.89 6.60 -2 -8 28 53.49 4.60 2 -8 -28 64.59 5.60 -2 8 28 72.19 8.40 -2 8 28 69.09 7.00 2 8 -28 59.59 4.70 -2 8 28 61.59 8.40 1 -8 -28 125.19 9.30 -1 -8 28 122.29 8.30 -1 -8 28 134.69 7.40 1 -8 -28 122.19 8.10 -1 -8 28 126.29 6.60 -1 8 28 83.69 9.60 -1 8 28 119.59 10.00 1 8 -28 130.39 7.40 -1 8 28 126.89 9.10 0 -8 28 -1.70 1.00 0 -8 -28 1.00 2.40 0 -8 28 0.50 1.80 0 -8 28 0.60 2.40 0 -8 -28 2.20 3.30 0 8 28 4.30 2.80 0 8 -28 -2.00 1.80 0 8 28 -3.20 3.70 0 8 28 -2.20 3.40 0 8 -28 0.10 1.40 -1 -8 -28 42.10 4.60 1 -8 28 50.69 3.60 1 -8 28 43.40 4.00 1 -8 28 42.70 5.20 1 8 28 47.40 7.20 1 8 28 48.60 5.70 -1 8 -28 45.50 4.00 1 8 28 46.50 7.20 -1 8 -28 39.30 4.20 2 -8 28 -1.50 1.60 -2 -8 -28 0.90 2.10 -2 -8 -28 0.30 1.70 2 8 28 4.10 3.50 2 8 28 0.70 3.80 -2 8 -28 -0.80 1.60 -2 8 -28 0.60 2.10 2 8 28 -1.10 2.60 -3 -8 -28 123.89 8.10 3 -8 28 120.99 7.60 -3 -8 -28 108.89 7.00 3 8 28 128.59 9.70 -3 8 -28 121.69 7.70 -3 8 -28 113.79 6.60 3 8 28 116.39 9.30 -3 8 -28 126.59 7.40 -4 -8 -28 7.60 3.00 4 -8 28 11.30 3.10 -4 -8 -28 10.70 2.90 4 8 28 11.20 4.10 -4 8 -28 14.70 2.70 -4 8 -28 17.20 3.70 5 -8 28 30.60 4.70 -5 -8 -28 24.20 4.50 -5 -8 -28 26.50 4.10 -5 8 -28 28.70 3.80 5 8 28 20.70 5.20 -5 8 -28 23.80 3.40 -5 8 -28 20.30 4.20 -6 -8 -28 -0.30 2.40 6 -8 28 4.90 2.80 -6 -8 -28 3.30 2.50 6 8 28 0.70 3.80 -6 8 -28 3.50 2.20 -6 8 -28 4.80 2.30 -6 8 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-28 53.19 4.60 2 9 28 56.89 6.80 -2 9 -28 56.39 4.90 2 9 28 60.99 7.50 -3 -9 -28 7.80 2.60 -3 -9 -28 8.00 2.80 3 -9 28 16.80 3.30 3 9 28 9.70 3.70 -3 9 -28 12.10 2.90 3 9 28 9.30 4.50 -3 9 -28 12.30 2.50 -4 -9 -28 123.59 8.50 -4 -9 -28 133.79 7.90 4 -9 28 110.59 8.20 -4 9 -28 132.19 8.30 -4 9 -28 141.49 8.00 4 9 28 138.09 10.50 -5 -9 -28 -0.10 2.00 -5 -9 -28 4.60 2.90 5 -9 28 1.80 2.50 5 9 28 6.70 4.00 -5 9 -28 2.20 2.20 -5 9 -28 -2.80 1.70 -5 9 -28 0.40 2.60 6 -9 28 -1.50 2.50 -6 -9 -28 -0.30 2.50 -6 -9 -28 -0.80 2.00 -6 9 -28 2.00 2.50 6 9 28 3.30 3.70 -6 9 -28 -1.10 1.70 -6 9 -28 -3.50 2.00 -5 -10 28 1.60 2.20 -5 10 28 -3.80 4.50 5 10 -28 -5.40 5.10 -5 10 28 5.60 5.40 -4 -10 28 14.00 2.70 -4 -10 28 7.20 2.50 4 10 -28 6.90 6.20 -4 10 28 6.90 5.30 -4 10 28 16.90 6.60 3 -10 -28 1.70 2.40 -3 -10 28 1.10 1.80 -3 -10 28 -1.00 1.90 -3 10 28 -8.50 3.60 -3 10 28 4.40 4.50 -2 -10 28 153.28 8.70 2 -10 -28 155.08 9.80 -2 -10 28 135.99 7.60 -2 10 28 140.99 11.60 -2 10 28 135.59 13.30 -1 -10 28 28.40 2.90 -1 -10 28 28.30 3.40 -1 -10 28 24.50 4.60 1 -10 -28 35.50 4.70 1 10 -28 29.90 3.50 -1 10 28 27.80 6.20 -1 10 28 29.90 6.40 0 -10 -28 4.00 2.90 0 -10 28 1.80 2.00 0 -10 28 0.80 1.40 0 -10 28 -1.70 2.70 0 10 28 0.80 3.70 0 10 -28 3.20 2.00 0 10 28 2.00 4.20 1 -10 28 6.80 2.40 1 -10 28 8.20 2.00 -1 -10 -28 9.00 2.90 1 10 28 6.70 4.20 -1 10 -28 9.10 2.60 1 10 28 9.00 5.00 -2 -10 -28 4.90 2.10 -2 -10 -28 11.40 3.30 2 -10 28 8.80 2.60 2 -10 28 10.20 2.20 -2 10 -28 10.90 3.00 2 10 28 7.90 3.80 2 10 28 16.20 4.80 -3 -10 -28 26.00 3.40 -3 -10 -28 27.20 4.60 3 -10 28 33.10 4.10 3 10 28 23.70 5.40 3 10 28 23.00 5.50 -3 10 -28 23.00 3.10 -3 10 -28 25.80 4.10 4 -10 28 82.49 6.50 -4 -10 -28 62.89 5.30 -4 -10 -28 70.79 6.10 -4 10 -28 68.49 6.20 4 10 28 70.59 7.50 4 10 28 77.79 8.10 -4 10 -28 71.29 5.50 5 -10 28 16.60 3.90 -5 -10 -28 23.50 4.10 -5 -10 -28 14.70 3.70 5 10 28 23.20 5.60 -5 10 -28 18.30 4.10 -5 10 -28 19.10 3.50 -5 -11 28 77.49 5.30 -5 -11 28 66.79 5.50 -5 11 28 48.10 9.60 -5 11 28 62.69 10.40 5 11 -28 61.89 11.10 -4 -11 28 1.50 2.00 -4 -11 28 6.50 2.30 -4 11 28 6.90 6.20 4 11 -28 -6.40 5.50 -4 11 28 5.20 5.00 -3 -11 28 40.80 3.60 3 -11 -28 31.80 5.50 -3 -11 28 38.50 3.90 -3 11 28 23.30 6.70 -3 11 28 31.50 7.30 -2 -11 28 -0.70 1.60 2 -11 -28 0.60 2.70 -2 -11 28 -0.60 1.70 -2 11 28 -1.70 4.80 -2 11 28 0.10 4.30 -1 -11 28 11.20 2.80 1 -11 -28 11.70 3.50 -1 -11 28 13.60 2.40 -1 11 28 9.90 5.10 -1 11 28 12.30 5.40 0 -11 -28 6.50 3.10 0 -11 28 8.40 2.40 0 -11 28 9.80 2.30 0 11 28 14.40 5.70 0 11 28 9.90 5.10 1 -11 28 198.18 11.00 1 -11 28 230.68 10.60 -1 -11 -28 189.88 11.80 1 11 28 192.68 13.60 -1 11 -28 225.38 11.70 1 11 28 217.68 14.10 -2 -11 -28 1.10 2.00 2 -11 28 -0.10 2.00 -2 -11 -28 -2.70 2.20 2 -11 28 0.90 1.60 -2 11 -28 1.60 2.30 2 11 28 1.60 3.90 2 11 28 -2.70 3.00 3 -11 28 0.10 2.00 -3 -11 -28 0.40 2.50 -3 -11 -28 1.10 2.10 -3 11 -28 2.50 2.00 3 11 28 1.90 4.50 -3 11 -28 0.40 2.10 3 11 28 1.00 3.00 4 -11 28 1.20 2.60 -4 -11 -28 0.40 2.40 -4 -11 -28 2.00 2.50 4 11 28 1.40 3.10 -4 11 -28 0.00 2.60 -4 11 -28 -0.30 1.50 4 11 28 2.60 3.50 5 -11 28 53.19 5.70 -5 -11 -28 46.10 5.50 -5 -11 -28 50.49 5.20 5 11 28 56.89 6.90 -5 11 -28 50.79 5.70 -5 11 -28 49.60 4.50 -4 -12 28 27.00 4.20 -4 -12 28 34.50 4.00 -4 12 28 31.30 7.50 -4 12 28 28.20 7.80 -3 -12 28 -0.70 1.90 3 -12 -28 1.80 2.70 -3 -12 28 3.00 2.10 -3 12 28 2.70 4.50 -3 12 28 -1.90 4.70 2 -12 -28 38.40 5.80 -2 -12 28 31.90 3.40 -2 -12 28 43.50 4.10 -2 12 28 45.40 7.80 -2 12 28 30.10 7.50 -1 -12 28 -2.70 1.80 -1 -12 28 0.10 1.60 1 -12 -28 1.20 2.90 -1 12 28 3.50 4.90 -1 12 28 1.60 4.60 0 -12 28 17.00 3.20 0 -12 28 16.10 2.70 0 -12 -28 14.60 3.90 0 12 28 14.30 5.00 0 12 28 9.00 5.70 1 -12 28 3.60 1.80 1 -12 28 1.70 2.00 -1 -12 -28 -0.50 2.50 1 12 28 0.20 3.40 1 12 28 -1.40 5.00 -1 12 -28 0.30 2.10 -2 -12 -28 39.90 4.30 -2 -12 -28 39.40 4.70 2 -12 28 39.30 3.70 2 -12 28 45.00 4.40 2 12 28 51.39 8.00 -2 12 -28 42.90 4.70 2 12 28 48.60 6.70 -3 -12 -28 0.20 2.20 -3 -12 -28 1.20 2.50 3 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13 -28 17.70 3.00 2 -14 -28 9.60 3.80 -2 -14 28 12.70 2.90 -2 -14 28 10.70 3.00 -2 14 28 2.00 4.80 -2 14 28 9.70 5.60 1 -14 -28 1.20 3.30 -1 -14 28 -2.20 1.40 -1 -14 28 -0.90 1.80 -1 14 28 1.70 4.50 -1 14 28 1.80 4.50 0 -14 28 -1.90 1.90 0 -14 28 0.10 1.70 0 -14 -28 -1.90 2.70 0 14 28 2.80 4.40 0 14 28 7.40 5.30 -1 -14 -28 8.30 3.20 1 -14 28 15.70 3.50 1 -14 28 9.60 2.50 1 14 28 9.20 4.70 1 14 28 12.50 5.10 -2 -14 -28 14.60 3.80 2 -14 28 5.80 2.30 2 -14 28 10.40 2.70 -2 -14 -28 9.60 3.00 2 14 28 9.20 5.60 2 14 28 12.70 4.70 -2 14 -28 11.90 3.50 -1 -15 28 -1.20 1.80 -1 -15 28 2.50 2.30 1 -15 -28 3.50 3.40 -1 15 28 0.10 5.10 -1 15 28 -3.10 5.10 0 -15 28 4.20 2.50 0 -15 28 1.80 1.90 0 -15 -28 0.50 2.90 0 15 28 2.50 3.70 0 15 28 -2.10 4.70 1 -15 28 -1.10 1.80 -1 -15 -28 -0.80 2.90 1 -15 28 1.60 2.10 1 15 28 -0.10 3.70 1 15 28 7.70 5.20 -7 0 29 2.20 4.20 -7 0 29 1.30 1.80 7 0 -29 -0.40 4.20 -6 0 29 0.80 4.30 -6 0 29 1.80 1.80 6 0 -29 2.30 4.80 5 0 -29 -4.80 3.90 -5 0 29 2.60 4.20 -5 0 29 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4 30 24.60 4.80 3 4 -30 34.80 7.70 -3 4 30 45.90 8.10 -3 4 30 33.20 7.40 -2 -4 30 12.50 2.90 -2 -4 30 9.50 2.30 -2 -4 30 9.40 5.10 2 -4 -30 14.00 3.00 2 -4 -30 3.00 3.40 -2 4 30 12.10 5.80 -2 4 30 9.70 5.40 -2 4 30 9.80 3.30 1 -4 -30 184.98 9.40 -1 -4 30 161.98 8.60 -1 -4 30 131.69 10.60 -1 -4 30 159.28 9.40 1 -4 -30 168.18 11.10 -1 4 30 165.08 10.30 -1 4 30 183.28 12.30 -1 4 30 151.08 12.10 0 -4 30 32.50 4.30 0 -4 -30 33.10 5.40 0 -4 -30 34.70 4.00 0 -4 30 29.20 3.20 0 4 30 28.60 4.70 0 4 30 32.20 6.90 0 4 30 39.90 6.40 0 4 -30 30.20 3.60 -1 -4 -30 540.95 24.40 1 -4 30 566.54 23.80 1 -4 30 579.14 25.00 -1 -4 -30 545.35 25.60 1 4 30 524.15 25.10 1 4 30 522.25 26.70 -1 4 -30 560.94 24.10 1 4 30 554.04 26.00 -2 -4 -30 24.90 3.90 2 -4 30 22.10 4.00 2 -4 30 25.20 3.00 -2 4 -30 28.80 3.90 2 4 30 18.80 4.00 2 4 30 15.10 4.90 3 -4 30 13.30 2.90 -3 -4 -30 14.70 2.60 3 -4 30 5.90 3.50 -3 -4 -30 12.60 3.00 3 4 30 20.00 3.90 -3 4 -30 17.90 2.70 3 4 30 10.10 3.50 -3 4 -30 8.70 2.80 -4 -4 -30 3.40 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29.00 3.20 0 -8 30 26.20 2.60 0 -8 -30 21.00 4.60 0 8 -30 24.70 3.20 0 8 30 16.10 5.30 0 8 30 18.70 5.40 -1 -8 -30 135.19 9.00 1 -8 30 157.08 7.50 1 -8 30 138.49 8.20 1 8 30 138.29 10.80 -1 8 -30 144.69 8.30 -1 8 -30 140.39 8.20 1 8 30 145.29 10.70 -2 -8 -30 15.40 3.40 2 -8 30 13.70 3.10 2 8 30 17.40 5.10 2 8 30 14.30 4.60 -2 8 -30 9.70 2.60 -2 8 -30 10.80 3.00 -3 -8 -30 294.97 14.20 -3 -8 -30 305.67 15.30 3 -8 30 321.37 14.90 -3 8 -30 280.57 15.20 -3 8 -30 293.47 14.80 3 8 30 284.07 17.00 3 8 30 270.47 16.30 4 -8 30 2.20 2.40 -4 -8 -30 0.50 2.00 -4 -8 -30 3.30 2.60 4 8 30 -0.70 2.80 -4 8 -30 -0.10 1.60 -4 8 -30 1.00 2.80 -5 -8 -30 5.30 2.40 5 -8 30 8.00 2.90 -5 -8 -30 7.40 3.00 5 8 30 0.90 3.30 -5 8 -30 0.60 2.90 -5 8 -30 3.10 2.10 -5 8 -30 5.10 2.20 -5 -9 30 6.20 2.50 5 9 -30 8.70 7.20 -5 9 30 5.00 5.50 -5 9 30 6.70 5.90 -4 -9 30 11.10 3.20 -4 9 30 7.60 5.30 -4 9 30 13.30 6.20 4 9 -30 20.90 8.70 3 -9 -30 -1.20 2.40 -3 -9 30 -1.80 1.40 -3 9 30 -5.40 5.20 -3 9 30 -4.60 4.30 -2 -9 30 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2 1 -43 -1.50 4.40 1 -1 -43 4.70 5.00 -1 1 43 -1.60 4.40 1 1 -43 13.70 6.10 0 -1 -43 5.00 4.70 0 1 43 -1.30 5.10 0 1 -43 11.60 5.70 -1 -1 -43 69.49 6.60 1 1 43 66.79 8.20 -1 1 -43 74.09 6.40 -1 1 -43 66.29 10.50 -2 -1 -43 10.60 3.60 -2 1 -43 19.60 4.40 2 -2 -43 5.40 5.20 2 2 -43 -0.50 4.90 1 -2 -43 29.20 7.00 -1 2 43 46.90 9.50 1 2 -43 41.30 8.60 0 -2 -43 113.49 10.60 0 2 43 97.29 10.20 0 2 -43 102.99 11.30 -1 -2 -43 10.60 3.60 -1 2 -43 10.90 4.00 1 2 43 1.40 4.00 -1 2 -43 10.80 6.50 -2 -2 -43 2.50 3.00 -2 2 -43 3.90 3.20 2 2 43 -4.50 3.20 1 -3 -43 19.60 5.70 -1 -3 43 20.70 3.50 1 3 -43 29.20 8.60 -1 3 43 15.50 7.40 0 -3 -43 1.50 4.30 0 -3 -43 11.20 3.70 0 -3 43 4.50 2.50 0 3 -43 -3.10 5.80 0 3 43 1.40 4.40 -1 -3 -43 87.09 7.30 1 -3 43 90.39 6.60 1 3 43 89.49 9.80 -1 3 -43 78.89 11.00 1 -4 -43 13.50 6.00 -1 -4 43 15.90 3.30 1 4 -43 0.60 5.70 0 -4 -43 55.89 7.20 0 -4 -43 53.29 5.60 0 -4 43 40.60 4.30 0 4 43 51.59 9.30 0 4 -43 31.90 8.50 -1 -4 -43 3.70 2.90 1 -4 43 4.80 2.50 -1 4 -43 -1.30 6.10 1 4 43 6.10 4.90 0 0 -44 23.60 7.00 0 -1 -44 2.20 5.10 0 1 44 3.70 5.50 0 1 -44 4.10 5.30 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 61887 _shelx_SHELXL_version_number '2014/7' _olex2_submission_special_instructions 'No special instructions were received'