# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2013 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_shelx _audit_creation_method SHELXL-2013 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C36 H42 N6 O4, C7 H7 O3 S, H2 O' _chemical_formula_sum 'C43 H51 N6 O8 S' _chemical_formula_weight 811.95 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system orthorhombic _space_group_IT_number 18 _space_group_name_H-M_alt 'P 21 21 2' _space_group_name_Hall 'P 2 2ab' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' 'x+1/2, -y+1/2, -z' '-x+1/2, y+1/2, -z' '-x, -y, z' _cell_length_a 17.8231(3) _cell_length_b 25.0117(17) _cell_length_c 9.92390(10) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4423.9(3) _cell_formula_units_Z 4 _cell_measurement_temperature 295(2) _cell_measurement_reflns_used 25623 _cell_measurement_theta_min 6.70 _cell_measurement_theta_max 68.10 _exptl_crystal_description platelet _exptl_crystal_colour colorless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.219 _exptl_crystal_F_000 1724 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.260 _exptl_crystal_size_mid 0.210 _exptl_crystal_size_min 0.020 _exptl_absorpt_coefficient_mu 1.116 _shelx_estimated_absorpt_T_min 0.760 _shelx_estimated_absorpt_T_max 0.978 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.726 _exptl_absorpt_correction_T_max 0.978 _exptl_absorpt_process_details 'Jacobson, R. (1998) Private communication' _exptl_special_details ; ? ; _diffrn_ambient_temperature 295(2) _diffrn_radiation_wavelength 1.54187 _diffrn_radiation_type CuK\a _diffrn_source ? _diffrn_measurement_device_type 'Rigaku Saturn944+ CCD' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 28638 _diffrn_reflns_av_unetI/netI 0.0372 _diffrn_reflns_av_R_equivalents 0.0385 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_theta_min 6.677 _diffrn_reflns_theta_max 68.245 _diffrn_reflns_theta_full 67.687 _diffrn_measured_fraction_theta_max 0.989 _diffrn_measured_fraction_theta_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.989 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.979 _diffrn_reflns_point_group_measured_fraction_full 0.983 _reflns_number_total 7924 _reflns_number_gt 6630 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.770 _reflns_Friedel_fraction_max 0.967 _reflns_Friedel_fraction_full 0.972 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'CrystalClear-SM 2.0 r4 (Rigaku, 2009)' _computing_cell_refinement 'CrystalClear-SM Auto 2.0 r4' _computing_data_reduction 'CrystalClear-SM Auto 2.0 r4' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _computing_molecular_graphics 'CrystalStructure 4.0' _computing_publication_material 'CrystalStructure 4.0 (Rigaku, 2009)' _refine_special_details ; ? ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.0908P)^2^+0.7860P] where P=(Fo^2^+2Fc^2^)/3 ; _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_abs_structure_details ; Flack x determined using 2527 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons and Flack (2004), Acta Cryst. A60, s61). ; _refine_ls_abs_structure_Flack 0.031(7) _chemical_absolute_configuration ad _refine_ls_number_reflns 7924 _refine_ls_number_parameters 530 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0888 _refine_ls_R_factor_gt 0.0793 _refine_ls_wR_factor_ref 0.2168 _refine_ls_wR_factor_gt 0.2062 _refine_ls_goodness_of_fit_ref 1.540 _refine_ls_restrained_S_all 1.539 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.3825(3) 0.8321(3) 0.3501(7) 0.0609(16) Uani 1 1 d . . . . . H1 H 0.3655 0.8432 0.2660 0.073 Uiso 1 1 calc R U . . . C2 C 0.3313(4) 0.8216(3) 0.4516(8) 0.076(2) Uani 1 1 d . . . . . H2 H 0.2802 0.8262 0.4364 0.091 Uiso 1 1 calc R U . . . C3 C 0.3567(4) 0.8042(3) 0.5762(9) 0.080(2) Uani 1 1 d . . . . . H3 H 0.3225 0.7957 0.6435 0.096 Uiso 1 1 calc R U . . . C4 C 0.4324(4) 0.7993(3) 0.6006(8) 0.0677(17) Uani 1 1 d . . . . . H4 H 0.4493 0.7887 0.6851 0.081 Uiso 1 1 calc R U . . . C5 C 0.4834(4) 0.8102(3) 0.4988(7) 0.0595(15) Uani 1 1 d . . . . . H5 H 0.5345 0.8066 0.5151 0.071 Uiso 1 1 calc R U . . . C6 C 0.4586(3) 0.8265(2) 0.3723(6) 0.0537(14) Uani 1 1 d . . . . . C7 C 0.5111(3) 0.8330(2) 0.2585(6) 0.0495(13) Uani 1 1 d . . . . . C8 C 0.5590(3) 0.8325(2) 0.0530(6) 0.0528(14) Uani 1 1 d . . . . . C9 C 0.5825(3) 0.7820(2) -0.0229(5) 0.0460(12) Uani 1 1 d . . . . . C10 C 0.6685(3) 0.7947(2) 0.1462(5) 0.0401(11) Uani 1 1 d . . . . . C11 C 0.6974(3) 0.7240(2) -0.0328(5) 0.0414(11) Uani 1 1 d . . . . . H11 H 0.6691 0.7099 -0.1096 0.050 Uiso 1 1 calc R U . . . C12 C 0.7686(3) 0.7495(2) -0.0883(5) 0.0435(12) Uani 1 1 d . . . . . C13 C 0.8325(3) 0.7523(3) -0.0126(6) 0.0496(13) Uani 1 1 d . . . . . H13 H 0.8335 0.7374 0.0733 0.060 Uiso 1 1 calc R U . . . C14 C 0.8970(3) 0.7777(3) -0.0649(6) 0.0566(15) Uani 1 1 d . . . . . H14 H 0.9399 0.7787 -0.0115 0.068 Uiso 1 1 calc R U . . . C15 C 0.8364(3) 0.7987(2) -0.2612(6) 0.0506(13) Uani 1 1 d . . . . . C16 C 0.8399(4) 0.8231(3) -0.3907(6) 0.0616(16) Uani 1 1 d . . . . . H16 H 0.8838 0.8400 -0.4183 0.074 Uiso 1 1 calc R U . . . C17 C 0.7796(4) 0.8218(3) -0.4738(7) 0.0694(18) Uani 1 1 d . . . . . H17 H 0.7822 0.8382 -0.5578 0.083 Uiso 1 1 calc R U . . . C18 C 0.7133(4) 0.7960(3) -0.4345(6) 0.0631(17) Uani 1 1 d . . . . . H18 H 0.6725 0.7951 -0.4931 0.076 Uiso 1 1 calc R U . . . C19 C 0.7079(3) 0.7718(3) -0.3095(6) 0.0517(13) Uani 1 1 d . . . . . H19 H 0.6640 0.7544 -0.2849 0.062 Uiso 1 1 calc R U . . . C20 C 0.7690(3) 0.7736(2) -0.2192(5) 0.0458(12) Uani 1 1 d . . . . . C21 C 0.7144(3) 0.6767(2) 0.0619(6) 0.0473(12) Uani 1 1 d . . . . . H21 H 0.7457 0.6899 0.1360 0.057 Uiso 1 1 calc R U . . . C22 C 0.7576(4) 0.6319(3) -0.0102(7) 0.0599(15) Uani 1 1 d . . . . . H22A H 0.7520 0.6356 -0.1069 0.072 Uiso 1 1 calc R U . . . H22B H 0.8106 0.6343 0.0115 0.072 Uiso 1 1 calc R U . . . C23 C 0.7265(4) 0.5782(3) 0.0356(7) 0.0676(18) Uani 1 1 d . . . . . H23 H 0.7583 0.5494 0.0007 0.081 Uiso 1 1 calc R U . . . C24 C 0.6476(5) 0.5730(3) -0.0232(8) 0.075(2) Uani 1 1 d . . . . . H24A H 0.6242 0.5404 0.0093 0.090 Uiso 1 1 calc R U . . . H24B H 0.6502 0.5712 -0.1207 0.090 Uiso 1 1 calc R U . . . C25 C 0.6012(4) 0.6215(3) 0.0199(7) 0.0637(17) Uani 1 1 d . . . . . H25A H 0.5902 0.6436 -0.0579 0.076 Uiso 1 1 calc R U . . . H25B H 0.5541 0.6098 0.0589 0.076 Uiso 1 1 calc R U . . . C26 C 0.6674(5) 0.6169(3) 0.2364(6) 0.0659(17) Uani 1 1 d . . . . . H26A H 0.6231 0.6003 0.2745 0.079 Uiso 1 1 calc R U . . . H26B H 0.6912 0.6380 0.3064 0.079 Uiso 1 1 calc R U . . . C27 C 0.7213(5) 0.5738(3) 0.1886(8) 0.0732(19) Uani 1 1 d . . . . . H27 H 0.6983 0.5392 0.2091 0.088 Uiso 1 1 calc R U . . . C28 C 0.7956(7) 0.5758(4) 0.2617(10) 0.108(3) Uani 1 1 d . . . . . H28A H 0.8219 0.6079 0.2341 0.130 Uiso 1 1 calc R U . . . H28B H 0.7857 0.5789 0.3575 0.130 Uiso 1 1 calc R U . . . C29 C 0.8458(11) 0.5295(8) 0.2399(18) 0.187(7) Uani 1 1 d . . . . . H29A H 0.8913 0.5346 0.2900 0.281 Uiso 1 1 calc R U . . . H29B H 0.8573 0.5265 0.1457 0.281 Uiso 1 1 calc R U . . . H29C H 0.8213 0.4975 0.2699 0.281 Uiso 1 1 calc R U . . . C30 C 0.5478(5) 0.8796(3) -0.0449(8) 0.077(2) Uani 1 1 d . . . . . H30 H 0.5049 0.8700 -0.1019 0.092 Uiso 1 1 calc R U . . . C31 C 0.5261(8) 0.9292(4) 0.0268(13) 0.125(4) Uani 1 1 d . . . . . H31A H 0.5182 0.9574 -0.0374 0.151 Uiso 1 1 calc R U . . . H31B H 0.5653 0.9393 0.0880 0.151 Uiso 1 1 calc R U . . . H31C H 0.4806 0.9231 0.0764 0.151 Uiso 1 1 calc R U . . . C32 C 0.6129(6) 0.8871(4) -0.1381(11) 0.110(3) Uani 1 1 d . . . . . H32A H 0.6025 0.9160 -0.1990 0.132 Uiso 1 1 calc R U . . . H32B H 0.6209 0.8549 -0.1886 0.132 Uiso 1 1 calc R U . . . H32C H 0.6570 0.8953 -0.0867 0.132 Uiso 1 1 calc R U . . . C33 C 0.6040(4) 0.8967(3) 0.3490(7) 0.0620(16) Uani 1 1 d . . . . . C34 C 0.6879(5) 0.9684(3) 0.3791(10) 0.085(2) Uani 1 1 d . . . . . H34 H 0.6689 0.9689 0.4718 0.102 Uiso 1 1 calc R U . . . C35 C 0.6532(15) 1.0130(5) 0.299(2) 0.230(11) Uani 1 1 d . . . . . H35A H 0.5996 1.0097 0.3013 0.345 Uiso 1 1 calc R U . . . H35B H 0.6704 1.0113 0.2078 0.345 Uiso 1 1 calc R U . . . H35C H 0.6675 1.0467 0.3379 0.345 Uiso 1 1 calc R U . . . C36 C 0.7706(8) 0.9713(6) 0.379(3) 0.228(13) Uani 1 1 d . . . . . H36A H 0.7906 0.9419 0.4300 0.341 Uiso 1 1 calc R U . . . H36B H 0.7863 1.0043 0.4193 0.341 Uiso 1 1 calc R U . . . H36C H 0.7887 0.9694 0.2882 0.341 Uiso 1 1 calc R U . . . C37 C 1.0150(4) 0.8788(2) 0.3159(6) 0.0549(14) Uani 1 1 d . . . . . C38 C 0.9593(4) 0.8396(3) 0.3045(7) 0.0681(18) Uani 1 1 d . . . . . H38 H 0.9645 0.8074 0.3504 0.082 Uiso 1 1 calc R U . . . C39 C 0.8971(5) 0.8482(3) 0.2260(8) 0.075(2) Uani 1 1 d . . . . . H39 H 0.8597 0.8223 0.2226 0.090 Uiso 1 1 calc R U . . . C40 C 0.8887(4) 0.8951(3) 0.1510(7) 0.0637(16) Uani 1 1 d . . . . . C41 C 0.9436(4) 0.9342(3) 0.1655(8) 0.0691(18) Uani 1 1 d . . . . . H41 H 0.9389 0.9659 0.1175 0.083 Uiso 1 1 calc R U . . . C42 C 1.0045(4) 0.9275(2) 0.2484(8) 0.0623(16) Uani 1 1 d . . . . . H42 H 1.0387 0.9552 0.2599 0.075 Uiso 1 1 calc R U . . . C43 C 0.8231(5) 0.9023(4) 0.0596(12) 0.103(3) Uani 1 1 d . . . . . H43A H 0.8317 0.9325 0.0019 0.154 Uiso 1 1 calc R U . . . H43B H 0.7787 0.9082 0.1123 0.154 Uiso 1 1 calc R U . . . H43C H 0.8167 0.8707 0.0058 0.154 Uiso 1 1 calc R U . . . N1 N 0.5872(3) 0.84820(18) 0.2791(5) 0.0493(11) Uani 1 1 d . . . . . N2 N 0.4935(3) 0.8232(2) 0.1369(5) 0.0523(12) Uani 1 1 d . . . . . N3 N 0.6224(2) 0.83993(19) 0.1501(5) 0.0469(10) Uani 1 1 d . . . . . N4 N 0.6508(2) 0.76633(17) 0.0305(4) 0.0408(9) Uani 1 1 d . . . . . N5 N 0.9000(3) 0.7998(2) -0.1837(5) 0.0572(12) Uani 1 1 d . . . . . N6 N 0.6448(3) 0.6530(2) 0.1214(5) 0.0522(12) Uani 1 1 d . . . . . O1 O 0.7173(2) 0.78345(17) 0.2261(4) 0.0535(10) Uani 1 1 d . . . . . O2 O 0.5501(2) 0.76170(19) -0.1157(4) 0.0580(11) Uani 1 1 d . . . . . O3 O 1.1544(3) 0.8556(2) 0.2985(5) 0.0815(16) Uani 1 1 d . . . . . O4 O 1.1166(4) 0.9147(2) 0.4771(5) 0.0863(16) Uani 1 1 d . . . . . O5 O 1.0870(4) 0.8205(2) 0.4866(5) 0.0855(16) Uani 1 1 d . . . . . O6 O 0.6678(3) 0.91774(19) 0.3132(5) 0.0716(13) Uani 1 1 d . . . . . O7 O 0.5629(4) 0.9138(2) 0.4336(8) 0.106(2) Uani 1 1 d . . . . . O1W O 0.5512(2) 0.7131(2) 0.2659(4) 0.0606(11) Uani 1 1 d D . . . . H1O H 0.5063(19) 0.705(3) 0.265(8) 0.073 Uiso 1 1 d D U . . . H2O H 0.592(3) 0.721(3) 0.226(7) 0.073 Uiso 1 1 d D U . . . S1 S 1.09969(10) 0.86687(7) 0.40223(14) 0.0602(4) Uani 1 1 d . . . . . 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 C1 0.048(3) 0.069(4) 0.065(4) -0.014(3) -0.003(3) 0.012(3) C2 0.047(3) 0.092(5) 0.088(5) -0.023(4) 0.009(4) -0.001(3) C3 0.074(5) 0.086(5) 0.079(5) -0.019(4) 0.029(4) 0.002(4) C4 0.073(4) 0.070(4) 0.060(4) -0.009(3) 0.011(3) 0.010(3) C5 0.055(3) 0.064(4) 0.060(4) -0.003(3) 0.001(3) 0.009(3) C6 0.046(3) 0.055(3) 0.060(4) -0.013(3) 0.007(3) 0.002(2) C7 0.046(3) 0.048(3) 0.055(3) -0.005(3) -0.001(3) 0.009(2) C8 0.050(3) 0.055(3) 0.053(3) 0.007(3) -0.003(3) 0.010(3) C9 0.042(3) 0.057(3) 0.039(3) 0.004(2) -0.002(2) -0.005(2) C10 0.038(2) 0.045(3) 0.037(2) 0.002(2) -0.004(2) -0.003(2) C11 0.040(2) 0.048(3) 0.036(2) -0.002(2) 0.001(2) 0.000(2) C12 0.041(3) 0.053(3) 0.037(3) 0.000(2) 0.002(2) 0.002(2) C13 0.042(3) 0.064(3) 0.042(3) 0.000(3) -0.002(2) 0.001(3) C14 0.039(3) 0.076(4) 0.055(3) -0.003(3) -0.004(2) -0.004(3) C15 0.049(3) 0.060(3) 0.043(3) -0.001(3) 0.005(2) -0.005(3) C16 0.063(3) 0.068(4) 0.054(3) 0.007(3) 0.011(3) -0.014(3) C17 0.079(4) 0.083(5) 0.046(3) 0.010(3) 0.002(3) -0.016(4) C18 0.057(3) 0.087(5) 0.045(3) 0.013(3) -0.004(3) -0.002(3) C19 0.047(3) 0.068(4) 0.040(3) 0.005(3) -0.001(2) -0.006(3) C20 0.043(3) 0.052(3) 0.042(3) 0.003(2) 0.005(2) -0.001(2) C21 0.052(3) 0.048(3) 0.041(3) 0.003(2) 0.003(2) -0.001(2) C22 0.068(4) 0.059(4) 0.053(3) -0.004(3) 0.005(3) 0.007(3) C23 0.090(5) 0.049(4) 0.064(4) -0.007(3) -0.002(4) 0.013(3) C24 0.103(6) 0.063(4) 0.059(4) -0.011(3) -0.001(4) -0.011(4) C25 0.077(4) 0.058(4) 0.055(3) 0.000(3) 0.006(3) -0.021(3) C26 0.100(5) 0.055(4) 0.043(3) 0.010(3) 0.005(3) -0.006(3) C27 0.110(6) 0.046(4) 0.064(4) 0.007(3) -0.005(4) -0.001(4) C28 0.155(9) 0.094(7) 0.075(5) 0.001(5) -0.028(6) 0.052(6) C29 0.198(15) 0.204(16) 0.159(13) 0.021(12) -0.001(12) 0.118(13) C30 0.086(5) 0.069(5) 0.076(5) 0.023(4) -0.005(4) 0.018(4) C31 0.177(11) 0.077(6) 0.123(8) 0.021(6) 0.013(8) 0.049(7) C32 0.132(8) 0.089(6) 0.108(7) 0.046(6) 0.031(6) 0.018(6) C33 0.064(4) 0.054(4) 0.068(4) -0.008(3) 0.007(3) -0.006(3) C34 0.101(6) 0.056(4) 0.097(6) -0.023(4) 0.004(5) -0.022(4) C35 0.39(3) 0.067(7) 0.236(19) 0.015(10) -0.10(2) -0.050(12) C36 0.112(9) 0.140(12) 0.43(4) -0.153(18) 0.010(14) -0.037(8) C37 0.072(4) 0.048(3) 0.044(3) -0.001(2) 0.011(3) -0.004(3) C38 0.091(5) 0.057(4) 0.056(4) 0.008(3) 0.007(4) -0.016(3) C39 0.082(5) 0.070(5) 0.072(5) -0.009(4) 0.013(4) -0.021(4) C40 0.056(3) 0.065(4) 0.070(4) -0.013(3) 0.006(3) -0.003(3) C41 0.061(4) 0.055(4) 0.091(5) 0.001(4) -0.009(4) 0.007(3) C42 0.066(4) 0.040(3) 0.080(4) 0.003(3) -0.003(3) -0.003(3) C43 0.083(5) 0.099(6) 0.126(8) -0.031(6) -0.033(5) 0.011(5) N1 0.049(2) 0.050(3) 0.049(3) -0.008(2) 0.001(2) -0.005(2) N2 0.041(2) 0.060(3) 0.057(3) -0.001(2) -0.001(2) 0.010(2) N3 0.045(2) 0.048(3) 0.048(3) -0.004(2) -0.002(2) 0.0004(19) N4 0.037(2) 0.049(2) 0.037(2) 0.0025(18) 0.0001(17) 0.0043(18) N5 0.044(2) 0.074(3) 0.053(3) -0.002(3) 0.005(2) -0.008(2) N6 0.065(3) 0.056(3) 0.036(2) 0.006(2) 0.004(2) -0.002(2) O1 0.049(2) 0.064(3) 0.048(2) -0.0066(19) -0.0033(18) 0.0008(18) O2 0.0448(19) 0.081(3) 0.048(2) -0.005(2) -0.0081(18) 0.0001(19) O3 0.075(3) 0.117(4) 0.053(3) 0.010(3) 0.005(2) 0.034(3) O4 0.113(4) 0.079(3) 0.066(3) -0.010(3) -0.023(3) 0.003(3) O5 0.122(4) 0.078(3) 0.057(3) 0.028(2) 0.006(3) 0.008(3) O6 0.077(3) 0.059(3) 0.079(3) -0.020(2) 0.009(3) -0.014(2) O7 0.103(4) 0.083(4) 0.133(5) -0.056(4) 0.051(4) -0.024(3) O1W 0.041(2) 0.089(3) 0.051(2) 0.014(2) 0.0024(18) 0.006(2) S1 0.0804(10) 0.0606(9) 0.0396(7) 0.0053(7) 0.0016(7) 0.0068(8) _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 C1 C6 1.382(8) . ? C1 C2 1.385(10) . ? C1 H1 0.9300 . ? C2 C3 1.386(12) . ? C2 H2 0.9300 . ? C3 C4 1.376(11) . ? C3 H3 0.9300 . ? C4 C5 1.385(9) . ? C4 H4 0.9300 . ? C5 C6 1.392(9) . ? C5 H5 0.9300 . ? C6 C7 1.474(8) . ? C7 N2 1.271(8) . ? C7 N1 1.424(7) . ? C8 N2 1.452(8) . ? C8 N3 1.496(7) . ? C8 C9 1.528(9) . ? C8 C30 1.540(9) . ? C9 O2 1.200(7) . ? C9 N4 1.385(7) . ? C10 O1 1.210(6) . ? C10 N4 1.386(6) . ? C10 N3 1.400(7) . ? C11 N4 1.485(7) . ? C11 C12 1.524(7) . ? C11 C21 1.542(8) . ? C11 H11 0.9800 . ? C12 C13 1.365(7) . ? C12 C20 1.431(8) . ? C13 C14 1.414(8) . ? C13 H13 0.9300 . ? C14 N5 1.303(8) . ? C14 H14 0.9300 . ? C15 N5 1.370(7) . ? C15 C16 1.424(8) . ? C15 C20 1.417(7) . ? C16 C17 1.356(10) . ? C16 H16 0.9300 . ? C17 C18 1.402(9) . ? C17 H17 0.9300 . ? C18 C19 1.384(8) . ? C18 H18 0.9300 . ? C19 C20 1.411(8) . ? C19 H19 0.9300 . ? C21 N6 1.496(7) . ? C21 C22 1.535(8) . ? C21 H21 0.9800 . ? C22 C23 1.523(10) . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C23 C27 1.525(11) . ? C23 C24 1.528(11) . ? C23 H23 0.9800 . ? C24 C25 1.529(11) . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 N6 1.496(8) . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 N6 1.510(8) . ? C26 C27 1.520(11) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C27 C28 1.511(13) . ? C27 H27 0.9800 . ? C28 C29 1.478(16) . ? C28 H28A 0.9700 . ? C28 H28B 0.9700 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 C31 1.482(13) . ? C30 C32 1.496(12) . ? C30 H30 0.9800 . ? C31 H31A 0.9600 . ? C31 H31B 0.9600 . ? C31 H31C 0.9600 . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? C33 O7 1.193(8) . ? C33 O6 1.303(8) . ? C33 N1 1.429(8) . ? C34 C36 1.476(16) . ? C34 O6 1.470(8) . ? C34 C35 1.502(19) . ? C34 H34 0.9800 . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 0.9600 . ? C36 H36A 0.9600 . ? C36 H36B 0.9600 . ? C36 H36C 0.9600 . ? C37 C38 1.401(9) . ? C37 C42 1.403(9) . ? C37 S1 1.761(7) . ? C38 C39 1.372(11) . ? C38 H38 0.9300 . ? C39 C40 1.397(11) . ? C39 H39 0.9300 . ? C40 C41 1.391(10) . ? C40 C43 1.490(11) . ? C41 C42 1.372(10) . ? C41 H41 0.9300 . ? C42 H42 0.9300 . ? C43 H43A 0.9600 . ? C43 H43B 0.9600 . ? C43 H43C 0.9600 . ? N1 N3 1.441(7) . ? O3 S1 1.446(5) . ? O4 S1 1.440(6) . ? O5 S1 1.449(5) . ? O1W H1O 0.83(3) . ? O1W H2O 0.85(3) . ? 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 C6 C1 C2 120.8(7) . . ? C6 C1 H1 119.6 . . ? C2 C1 H1 119.6 . . ? C3 C2 C1 119.5(6) . . ? C3 C2 H2 120.2 . . ? C1 C2 H2 120.2 . . ? C2 C3 C4 120.4(7) . . ? C2 C3 H3 119.8 . . ? C4 C3 H3 119.8 . . ? C5 C4 C3 119.8(7) . . ? C5 C4 H4 120.1 . . ? C3 C4 H4 120.1 . . ? C4 C5 C6 120.5(6) . . ? C4 C5 H5 119.7 . . ? C6 C5 H5 119.7 . . ? C1 C6 C5 119.0(6) . . ? C1 C6 C7 119.2(6) . . ? C5 C6 C7 121.5(5) . . ? N2 C7 N1 115.0(5) . . ? N2 C7 C6 123.4(5) . . ? N1 C7 C6 121.5(5) . . ? N2 C8 N3 104.9(4) . . ? N2 C8 C9 111.7(5) . . ? N3 C8 C9 102.3(4) . . ? N2 C8 C30 112.4(5) . . ? N3 C8 C30 114.2(6) . . ? C9 C8 C30 110.9(5) . . ? O2 C9 N4 126.6(5) . . ? O2 C9 C8 126.6(5) . . ? N4 C9 C8 106.6(4) . . ? O1 C10 N4 126.0(5) . . ? O1 C10 N3 126.3(5) . . ? N4 C10 N3 107.6(4) . . ? N4 C11 C12 108.7(4) . . ? N4 C11 C21 113.5(4) . . ? C12 C11 C21 112.2(4) . . ? N4 C11 H11 107.4 . . ? C12 C11 H11 107.4 . . ? C21 C11 H11 107.4 . . ? C13 C12 C20 118.3(5) . . ? C13 C12 C11 121.1(5) . . ? C20 C12 C11 120.6(4) . . ? C12 C13 C14 119.9(5) . . ? C12 C13 H13 120.0 . . ? C14 C13 H13 120.0 . . ? N5 C14 C13 123.8(5) . . ? N5 C14 H14 118.1 . . ? C13 C14 H14 118.1 . . ? N5 C15 C16 117.5(5) . . ? N5 C15 C20 123.0(5) . . ? C16 C15 C20 119.5(5) . . ? C17 C16 C15 120.2(6) . . ? C17 C16 H16 119.9 . . ? C15 C16 H16 119.9 . . ? C16 C17 C18 120.7(6) . . ? C16 C17 H17 119.6 . . ? C18 C17 H17 119.6 . . ? C19 C18 C17 120.6(6) . . ? C19 C18 H18 119.7 . . ? C17 C18 H18 119.7 . . ? C18 C19 C20 120.2(5) . . ? C18 C19 H19 119.9 . . ? C20 C19 H19 119.9 . . ? C19 C20 C15 118.7(5) . . ? C19 C20 C12 124.0(5) . . ? C15 C20 C12 117.2(5) . . ? N6 C21 C22 108.1(5) . . ? N6 C21 C11 112.4(4) . . ? C22 C21 C11 112.0(5) . . ? N6 C21 H21 108.1 . . ? C22 C21 H21 108.1 . . ? C11 C21 H21 108.1 . . ? C23 C22 C21 108.8(5) . . ? C23 C22 H22A 109.9 . . ? C21 C22 H22A 109.9 . . ? C23 C22 H22B 109.9 . . ? C21 C22 H22B 109.9 . . ? H22A C22 H22B 108.3 . . ? C27 C23 C24 108.5(7) . . ? C27 C23 C22 112.5(6) . . ? C24 C23 C22 107.3(6) . . ? C27 C23 H23 109.5 . . ? C24 C23 H23 109.5 . . ? C22 C23 H23 109.5 . . ? C23 C24 C25 108.8(6) . . ? C23 C24 H24A 109.9 . . ? C25 C24 H24A 109.9 . . ? C23 C24 H24B 109.9 . . ? C25 C24 H24B 109.9 . . ? H24A C24 H24B 108.3 . . ? N6 C25 C24 109.0(6) . . ? N6 C25 H25A 109.9 . . ? C24 C25 H25A 109.9 . . ? N6 C25 H25B 109.9 . . ? C24 C25 H25B 109.9 . . ? H25A C25 H25B 108.3 . . ? N6 C26 C27 110.9(5) . . ? N6 C26 H26A 109.5 . . ? C27 C26 H26A 109.5 . . ? N6 C26 H26B 109.5 . . ? C27 C26 H26B 109.5 . . ? H26A C26 H26B 108.0 . . ? C26 C27 C23 107.3(6) . . ? C26 C27 C28 112.4(6) . . ? C23 C27 C28 115.0(8) . . ? C26 C27 H27 107.2 . . ? C23 C27 H27 107.2 . . ? C28 C27 H27 107.2 . . ? C29 C28 C27 115.7(11) . . ? C29 C28 H28A 108.3 . . ? C27 C28 H28A 108.3 . . ? C29 C28 H28B 108.3 . . ? C27 C28 H28B 108.3 . . ? H28A C28 H28B 107.4 . . ? C28 C29 H29A 109.5 . . ? C28 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C28 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C31 C30 C32 113.3(9) . . ? C31 C30 C8 111.8(7) . . ? C32 C30 C8 112.6(6) . . ? C31 C30 H30 106.2 . . ? C32 C30 H30 106.2 . . ? C8 C30 H30 106.2 . . ? C30 C31 H31A 109.5 . . ? C30 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? C30 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C30 C32 H32A 109.5 . . ? C30 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C30 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? O7 C33 O6 125.7(6) . . ? O7 C33 N1 121.1(6) . . ? O6 C33 N1 113.2(5) . . ? C36 C34 O6 106.5(8) . . ? C36 C34 C35 112.0(15) . . ? O6 C34 C35 107.8(9) . . ? C36 C34 H34 110.1 . . ? O6 C34 H34 110.1 . . ? C35 C34 H34 110.1 . . ? C34 C35 H35A 109.5 . . ? C34 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? C34 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C34 C36 H36A 109.5 . . ? C34 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C34 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? C38 C37 C42 118.4(6) . . ? C38 C37 S1 121.9(5) . . ? C42 C37 S1 119.6(5) . . ? C39 C38 C37 120.5(7) . . ? C39 C38 H38 119.7 . . ? C37 C38 H38 119.7 . . ? C38 C39 C40 121.4(6) . . ? C38 C39 H39 119.3 . . ? C40 C39 H39 119.3 . . ? C41 C40 C39 117.3(6) . . ? C41 C40 C43 122.0(7) . . ? C39 C40 C43 120.6(7) . . ? C42 C41 C40 122.2(7) . . ? C42 C41 H41 118.9 . . ? C40 C41 H41 118.9 . . ? C41 C42 C37 119.9(6) . . ? C41 C42 H42 120.1 . . ? C37 C42 H42 120.1 . . ? C40 C43 H43A 109.5 . . ? C40 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? C40 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? C7 N1 C33 119.8(5) . . ? C7 N1 N3 104.4(4) . . ? C33 N1 N3 117.5(5) . . ? C7 N2 C8 108.4(5) . . ? C10 N3 N1 113.3(4) . . ? C10 N3 C8 109.0(4) . . ? N1 N3 C8 105.1(4) . . ? C10 N4 C9 111.9(4) . . ? C10 N4 C11 126.0(4) . . ? C9 N4 C11 122.2(4) . . ? C14 N5 C15 117.8(5) . . ? C25 N6 C21 111.9(4) . . ? C25 N6 C26 109.4(5) . . ? C21 N6 C26 108.3(5) . . ? C33 O6 C34 116.0(6) . . ? H1O O1W H2O 151(7) . . ? O4 S1 O3 112.8(4) . . ? O4 S1 O5 113.6(3) . . ? O3 S1 O5 111.1(3) . . ? O4 S1 C37 106.8(3) . . ? O3 S1 C37 105.4(3) . . ? O5 S1 C37 106.5(3) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C6 C1 C2 C3 -1.2(11) . . . . ? C1 C2 C3 C4 2.4(12) . . . . ? C2 C3 C4 C5 -2.1(12) . . . . ? C3 C4 C5 C6 0.5(11) . . . . ? C2 C1 C6 C5 -0.3(10) . . . . ? C2 C1 C6 C7 174.2(6) . . . . ? C4 C5 C6 C1 0.7(10) . . . . ? C4 C5 C6 C7 -173.7(6) . . . . ? C1 C6 C7 N2 -28.3(9) . . . . ? C5 C6 C7 N2 146.1(6) . . . . ? C1 C6 C7 N1 155.3(6) . . . . ? C5 C6 C7 N1 -30.3(9) . . . . ? N2 C8 C9 O2 71.6(7) . . . . ? N3 C8 C9 O2 -176.7(5) . . . . ? C30 C8 C9 O2 -54.5(8) . . . . ? N2 C8 C9 N4 -112.1(5) . . . . ? N3 C8 C9 N4 -0.4(5) . . . . ? C30 C8 C9 N4 121.7(5) . . . . ? N4 C11 C12 C13 92.3(6) . . . . ? C21 C11 C12 C13 -34.1(7) . . . . ? N4 C11 C12 C20 -84.7(6) . . . . ? C21 C11 C12 C20 148.9(5) . . . . ? C20 C12 C13 C14 -1.0(8) . . . . ? C11 C12 C13 C14 -178.0(5) . . . . ? C12 C13 C14 N5 0.6(10) . . . . ? N5 C15 C16 C17 177.9(6) . . . . ? C20 C15 C16 C17 -0.9(10) . . . . ? C15 C16 C17 C18 -0.7(11) . . . . ? C16 C17 C18 C19 0.7(12) . . . . ? C17 C18 C19 C20 0.9(10) . . . . ? C18 C19 C20 C15 -2.4(9) . . . . ? C18 C19 C20 C12 -179.7(6) . . . . ? N5 C15 C20 C19 -176.3(6) . . . . ? C16 C15 C20 C19 2.4(9) . . . . ? N5 C15 C20 C12 1.1(9) . . . . ? C16 C15 C20 C12 179.8(6) . . . . ? C13 C12 C20 C19 177.4(6) . . . . ? C11 C12 C20 C19 -5.5(9) . . . . ? C13 C12 C20 C15 0.2(8) . . . . ? C11 C12 C20 C15 177.2(5) . . . . ? N4 C11 C21 N6 53.7(6) . . . . ? C12 C11 C21 N6 177.5(4) . . . . ? N4 C11 C21 C22 175.7(5) . . . . ? C12 C11 C21 C22 -60.5(6) . . . . ? N6 C21 C22 C23 -15.1(7) . . . . ? C11 C21 C22 C23 -139.5(5) . . . . ? C21 C22 C23 C27 -49.8(8) . . . . ? C21 C22 C23 C24 69.5(7) . . . . ? C27 C23 C24 C25 66.6(7) . . . . ? C22 C23 C24 C25 -55.2(7) . . . . ? C23 C24 C25 N6 -8.6(8) . . . . ? N6 C26 C27 C23 -6.7(9) . . . . ? N6 C26 C27 C28 120.8(7) . . . . ? C24 C23 C27 C26 -56.7(8) . . . . ? C22 C23 C27 C26 61.8(8) . . . . ? C24 C23 C27 C28 177.4(6) . . . . ? C22 C23 C27 C28 -64.1(8) . . . . ? C26 C27 C28 C29 169.1(11) . . . . ? C23 C27 C28 C29 -67.7(13) . . . . ? N2 C8 C30 C31 55.1(10) . . . . ? N3 C8 C30 C31 -64.3(9) . . . . ? C9 C8 C30 C31 -179.2(8) . . . . ? N2 C8 C30 C32 -176.0(7) . . . . ? N3 C8 C30 C32 64.6(9) . . . . ? C9 C8 C30 C32 -50.3(9) . . . . ? C42 C37 C38 C39 1.8(10) . . . . ? S1 C37 C38 C39 -173.8(5) . . . . ? C37 C38 C39 C40 2.7(11) . . . . ? C38 C39 C40 C41 -3.9(10) . . . . ? C38 C39 C40 C43 176.0(7) . . . . ? C39 C40 C41 C42 0.7(11) . . . . ? C43 C40 C41 C42 -179.2(8) . . . . ? C40 C41 C42 C37 3.7(11) . . . . ? C38 C37 C42 C41 -4.9(10) . . . . ? S1 C37 C42 C41 170.8(5) . . . . ? N2 C7 N1 C33 126.4(6) . . . . ? C6 C7 N1 C33 -56.9(8) . . . . ? N2 C7 N1 N3 -7.7(7) . . . . ? C6 C7 N1 N3 169.0(5) . . . . ? O7 C33 N1 C7 29.9(10) . . . . ? O6 C33 N1 C7 -152.1(6) . . . . ? O7 C33 N1 N3 158.3(7) . . . . ? O6 C33 N1 N3 -23.7(8) . . . . ? N1 C7 N2 C8 -1.8(7) . . . . ? C6 C7 N2 C8 -178.4(5) . . . . ? N3 C8 N2 C7 10.2(6) . . . . ? C9 C8 N2 C7 120.2(5) . . . . ? C30 C8 N2 C7 -114.4(6) . . . . ? O1 C10 N3 N1 -50.6(7) . . . . ? N4 C10 N3 N1 132.4(4) . . . . ? O1 C10 N3 C8 -167.3(5) . . . . ? N4 C10 N3 C8 15.7(5) . . . . ? C7 N1 N3 C10 -105.7(5) . . . . ? C33 N1 N3 C10 118.9(5) . . . . ? C7 N1 N3 C8 13.2(5) . . . . ? C33 N1 N3 C8 -122.1(5) . . . . ? N2 C8 N3 C10 107.4(5) . . . . ? C9 C8 N3 C10 -9.3(5) . . . . ? C30 C8 N3 C10 -129.2(5) . . . . ? N2 C8 N3 N1 -14.4(5) . . . . ? C9 C8 N3 N1 -131.1(4) . . . . ? C30 C8 N3 N1 109.0(6) . . . . ? O1 C10 N4 C9 166.5(5) . . . . ? N3 C10 N4 C9 -16.5(5) . . . . ? O1 C10 N4 C11 -13.7(8) . . . . ? N3 C10 N4 C11 163.3(4) . . . . ? O2 C9 N4 C10 -173.5(5) . . . . ? C8 C9 N4 C10 10.3(6) . . . . ? O2 C9 N4 C11 6.7(8) . . . . ? C8 C9 N4 C11 -169.6(4) . . . . ? C12 C11 N4 C10 -67.5(6) . . . . ? C21 C11 N4 C10 58.1(6) . . . . ? C12 C11 N4 C9 112.3(5) . . . . ? C21 C11 N4 C9 -122.0(5) . . . . ? C13 C14 N5 C15 0.7(9) . . . . ? C16 C15 N5 C14 179.7(6) . . . . ? C20 C15 N5 C14 -1.5(9) . . . . ? C24 C25 N6 C21 65.3(6) . . . . ? C24 C25 N6 C26 -54.7(7) . . . . ? C22 C21 N6 C25 -51.1(6) . . . . ? C11 C21 N6 C25 73.0(6) . . . . ? C22 C21 N6 C26 69.6(6) . . . . ? C11 C21 N6 C26 -166.3(5) . . . . ? C27 C26 N6 C25 64.9(7) . . . . ? C27 C26 N6 C21 -57.4(7) . . . . ? O7 C33 O6 C34 -3.4(11) . . . . ? N1 C33 O6 C34 178.7(6) . . . . ? C36 C34 O6 C33 152.9(13) . . . . ? C35 C34 O6 C33 -86.7(14) . . . . ? C38 C37 S1 O4 -139.6(6) . . . . ? C42 C37 S1 O4 44.8(6) . . . . ? C38 C37 S1 O3 100.1(6) . . . . ? C42 C37 S1 O3 -75.4(6) . . . . ? C38 C37 S1 O5 -18.0(6) . . . . ? C42 C37 S1 O5 166.5(5) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A C11 H11 O3 0.98 2.50 3.392(7) 150.7 2_465 C14 H14 O2 0.93 2.54 3.409(7) 154.9 2_565 C21 H21 O1 0.98 2.56 3.128(7) 117.3 . C22 H22A O3 0.97 2.59 3.416(8) 143.6 2_465 C24 H24B O3 0.97 2.54 3.267(10) 131.4 2_465 C25 H25A O3 0.97 2.65 3.348(8) 129.3 2_465 C26 H26A O4 0.97 2.50 3.087(8) 119.2 2_466 O1W H1O N5 0.83(3) 2.06(4) 2.835(6) 155(7) 2_465 O1W H2O N4 0.85(3) 2.47(5) 3.222(6) 147(7) . O1W H2O N6 0.85(3) 2.21(7) 2.664(7) 113(6) . _refine_diff_density_max 1.858 _refine_diff_density_min -0.335 _refine_diff_density_rms 0.101 _shelxl_version_number 2013-2 _shelx_res_file ; TITL _shaoqian20130719 CELL 1.54187 17.82309 25.01170 9.92390 90.000 90.000 90.000 ZERR 4 0.00030 0.00170 0.00010 0.000 0.000 0.000 LATT -1 SYMM .50+X, .50-Y, -Z SYMM .50-X, .50+Y, -Z SYMM -X, -Y, +Z SFAC C H N O S UNIT 172 204 24 32 4 omit 4 2 0 omit 2 0 2 omit 0 6 0 omit 1 0 2 omit 3 1 0 omit 9 11 0 omit 0 15 9 omit 3 5 1 omit -10 23 4 omit -3 5 1 omit -5 5 1 omit 0 0 2 omit 3 8 0 omit 6 12 10 omit -3 15 10 omit 10 23 4 omit 2 13 10 omit 11 0 1 omit 5 5 1 omit 4 12 10 omit 8 8 0 omit 4 1 1 omit -19 2 5 omit -4 1 1 omit 1 14 10 omit 2 12 10 omit -1 14 10 omit 5 4 0 L.S. 100 ACTA BOND $H EQIV $1 x-1/2, -y+3/2, -z HTAB C11 O3_$1 EQIV $2 x+1/2, -y+3/2, -z HTAB C14 O2_$2 HTAB C21 O1 HTAB C22 O3_$1 HTAB C24 O3_$1 HTAB C25 O3_$1 EQIV $3 x-1/2, -y+3/2, -z+1 HTAB C26 O4_$3 HTAB O1W N5_$1 HTAB O1W N4 HTAB O1W N6 FMAP 2 PLAN -3 CONF SIZE 0.020 0.210 0.260 TEMP 22.0 dfix 0.84 H1O O1W H2O O1W size 0.02 0.21 0.26 WGHT 0.090800 0.786000 FVAR 0.30262 C1 1 0.382513 0.832148 0.350102 11.00000 0.04799 0.06948 = 0.06537 -0.01366 -0.00261 0.01184 AFIX 43 H1 2 0.365470 0.843190 0.266014 11.00000 -1.20000 AFIX 0 C2 1 0.331300 0.821595 0.451639 11.00000 0.04679 0.09222 = 0.08814 -0.02296 0.00931 -0.00057 AFIX 43 H2 2 0.280215 0.826164 0.436407 11.00000 -1.20000 AFIX 0 C3 1 0.356734 0.804172 0.576156 11.00000 0.07447 0.08621 = 0.07945 -0.01897 0.02891 0.00180 AFIX 43 H3 2 0.322456 0.795749 0.643547 11.00000 -1.20000 AFIX 0 C4 1 0.432447 0.799275 0.600560 11.00000 0.07292 0.06989 = 0.06018 -0.00912 0.01112 0.01007 AFIX 43 H4 2 0.449348 0.788677 0.685102 11.00000 -1.20000 AFIX 0 C5 1 0.483381 0.810184 0.498790 11.00000 0.05480 0.06416 = 0.05964 -0.00335 0.00096 0.00942 AFIX 43 H5 2 0.534514 0.806602 0.515139 11.00000 -1.20000 AFIX 0 C6 1 0.458646 0.826460 0.372279 11.00000 0.04554 0.05501 = 0.06047 -0.01252 0.00675 0.00221 C7 1 0.511050 0.833006 0.258505 11.00000 0.04580 0.04777 = 0.05497 -0.00499 -0.00071 0.00886 C8 1 0.559012 0.832522 0.052988 11.00000 0.05036 0.05515 = 0.05285 0.00724 -0.00335 0.00979 C9 1 0.582462 0.782049 -0.022881 11.00000 0.04151 0.05715 = 0.03924 0.00438 -0.00160 -0.00490 C10 1 0.668519 0.794658 0.146228 11.00000 0.03840 0.04460 = 0.03741 0.00191 -0.00360 -0.00291 C11 1 0.697417 0.724021 -0.032826 11.00000 0.04009 0.04799 = 0.03612 -0.00194 0.00139 -0.00016 AFIX 13 H11 2 0.669127 0.709885 -0.109644 11.00000 -1.20000 AFIX 0 C12 1 0.768616 0.749546 -0.088339 11.00000 0.04090 0.05309 = 0.03654 -0.00026 0.00250 0.00186 C13 1 0.832455 0.752291 -0.012605 11.00000 0.04219 0.06430 = 0.04239 -0.00026 -0.00187 0.00056 AFIX 43 H13 2 0.833456 0.737447 0.073298 11.00000 -1.20000 AFIX 0 C14 1 0.897041 0.777724 -0.064912 11.00000 0.03900 0.07619 = 0.05454 -0.00263 -0.00361 -0.00446 AFIX 43 H14 2 0.939884 0.778733 -0.011478 11.00000 -1.20000 AFIX 0 C15 1 0.836401 0.798677 -0.261249 11.00000 0.04855 0.06016 = 0.04307 -0.00067 0.00459 -0.00472 C16 1 0.839921 0.823110 -0.390673 11.00000 0.06285 0.06809 = 0.05389 0.00671 0.01058 -0.01378 AFIX 43 H16 2 0.883768 0.840028 -0.418289 11.00000 -1.20000 AFIX 0 C17 1 0.779594 0.821804 -0.473793 11.00000 0.07889 0.08315 = 0.04629 0.01047 0.00234 -0.01566 AFIX 43 H17 2 0.782225 0.838207 -0.557762 11.00000 -1.20000 AFIX 0 C18 1 0.713274 0.795992 -0.434541 11.00000 0.05724 0.08674 = 0.04544 0.01296 -0.00391 -0.00162 AFIX 43 H18 2 0.672533 0.795100 -0.493050 11.00000 -1.20000 AFIX 0 C19 1 0.707933 0.771835 -0.309487 11.00000 0.04667 0.06815 = 0.04016 0.00470 -0.00072 -0.00606 AFIX 43 H19 2 0.663950 0.754374 -0.284879 11.00000 -1.20000 AFIX 0 C20 1 0.769022 0.773617 -0.219200 11.00000 0.04339 0.05185 = 0.04210 0.00304 0.00496 -0.00096 C21 1 0.714412 0.676682 0.061935 11.00000 0.05228 0.04805 = 0.04142 0.00251 0.00290 -0.00063 AFIX 13 H21 2 0.745716 0.689904 0.135966 11.00000 -1.20000 AFIX 0 C22 1 0.757600 0.631946 -0.010156 11.00000 0.06772 0.05904 = 0.05303 -0.00448 0.00519 0.00720 AFIX 23 H22A 2 0.751993 0.635612 -0.106940 11.00000 -1.20000 H22B 2 0.810566 0.634268 0.011543 11.00000 -1.20000 AFIX 0 C23 1 0.726506 0.578220 0.035552 11.00000 0.09041 0.04901 = 0.06353 -0.00659 -0.00239 0.01256 AFIX 13 H23 2 0.758277 0.549394 0.000661 11.00000 -1.20000 AFIX 0 C24 1 0.647599 0.572966 -0.023198 11.00000 0.10336 0.06266 = 0.05916 -0.01134 -0.00104 -0.01096 AFIX 23 H24A 2 0.624204 0.540415 0.009327 11.00000 -1.20000 H24B 2 0.650187 0.571207 -0.120730 11.00000 -1.20000 AFIX 0 C25 1 0.601246 0.621493 0.019913 11.00000 0.07720 0.05845 = 0.05536 -0.00002 0.00561 -0.02063 AFIX 23 H25A 2 0.590210 0.643630 -0.057857 11.00000 -1.20000 H25B 2 0.554115 0.609794 0.058894 11.00000 -1.20000 AFIX 0 C26 1 0.667445 0.616918 0.236393 11.00000 0.10006 0.05471 = 0.04285 0.01019 0.00478 -0.00579 AFIX 23 H26A 2 0.623082 0.600305 0.274505 11.00000 -1.20000 H26B 2 0.691233 0.638002 0.306426 11.00000 -1.20000 AFIX 0 C27 1 0.721329 0.573828 0.188571 11.00000 0.10969 0.04604 = 0.06391 0.00653 -0.00508 -0.00076 AFIX 13 H27 2 0.698260 0.539210 0.209143 11.00000 -1.20000 AFIX 0 C28 1 0.795612 0.575800 0.261723 11.00000 0.15464 0.09431 = 0.07502 0.00082 -0.02760 0.05204 AFIX 23 H28A 2 0.821914 0.607933 0.234089 11.00000 -1.20000 H28B 2 0.785746 0.578854 0.357538 11.00000 -1.20000 AFIX 0 C29 1 0.845798 0.529535 0.239927 11.00000 0.19838 0.20354 = 0.15929 0.02068 -0.00103 0.11806 AFIX 33 H29A 2 0.891342 0.534562 0.289995 11.00000 -1.50000 H29B 2 0.857322 0.526522 0.145736 11.00000 -1.50000 H29C 2 0.821317 0.497481 0.269897 11.00000 -1.50000 AFIX 0 C30 1 0.547781 0.879629 -0.044905 11.00000 0.08594 0.06910 = 0.07610 0.02278 -0.00456 0.01788 AFIX 13 H30 2 0.504932 0.870049 -0.101883 11.00000 -1.20000 AFIX 0 C31 1 0.526050 0.929229 0.026833 11.00000 0.17685 0.07689 = 0.12272 0.02107 0.01314 0.04935 AFIX 33 H31A 2 0.518169 0.957379 -0.037383 11.00000 -1.20000 H31B 2 0.565312 0.939324 0.087976 11.00000 -1.20000 H31C 2 0.480592 0.923116 0.076382 11.00000 -1.20000 AFIX 0 C32 1 0.612887 0.887101 -0.138138 11.00000 0.13198 0.08941 = 0.10757 0.04585 0.03128 0.01826 AFIX 33 H32A 2 0.602474 0.915992 -0.199016 11.00000 -1.20000 H32B 2 0.620935 0.854851 -0.188559 11.00000 -1.20000 H32C 2 0.657036 0.895255 -0.086675 11.00000 -1.20000 AFIX 0 C33 1 0.603999 0.896691 0.348988 11.00000 0.06392 0.05357 = 0.06838 -0.00815 0.00722 -0.00555 C34 1 0.687883 0.968399 0.379136 11.00000 0.10089 0.05583 = 0.09720 -0.02286 0.00350 -0.02236 AFIX 13 H34 2 0.668906 0.968865 0.471812 11.00000 -1.20000 AFIX 0 C35 1 0.653223 1.013036 0.299337 11.00000 0.38788 0.06677 = 0.23576 0.01472 -0.10347 -0.05044 AFIX 33 H35A 2 0.599581 1.009658 0.301334 11.00000 -1.50000 H35B 2 0.670416 1.011254 0.207771 11.00000 -1.50000 H35C 2 0.667517 1.046732 0.337893 11.00000 -1.50000 AFIX 0 C36 1 0.770579 0.971255 0.379148 11.00000 0.11219 0.14007 = 0.43069 -0.15338 0.01045 -0.03665 AFIX 33 H36A 2 0.790550 0.941873 0.430018 11.00000 -1.50000 H36B 2 0.786303 1.004332 0.419278 11.00000 -1.50000 H36C 2 0.788684 0.969417 0.288158 11.00000 -1.50000 AFIX 0 C37 1 1.014995 0.878795 0.315921 11.00000 0.07235 0.04821 = 0.04401 -0.00142 0.01142 -0.00366 C38 1 0.959300 0.839551 0.304453 11.00000 0.09092 0.05742 = 0.05603 0.00769 0.00692 -0.01633 AFIX 43 H38 2 0.964528 0.807359 0.350400 11.00000 -1.20000 AFIX 0 C39 1 0.897106 0.848209 0.226006 11.00000 0.08235 0.06983 = 0.07232 -0.00852 0.01267 -0.02120 AFIX 43 H39 2 0.859736 0.822293 0.222647 11.00000 -1.20000 AFIX 0 C40 1 0.888671 0.895110 0.151038 11.00000 0.05635 0.06486 = 0.06984 -0.01336 0.00622 -0.00295 C41 1 0.943587 0.934207 0.165544 11.00000 0.06123 0.05472 = 0.09124 0.00146 -0.00914 0.00678 AFIX 43 H41 2 0.938873 0.965943 0.117455 11.00000 -1.20000 AFIX 0 C42 1 1.004482 0.927508 0.248443 11.00000 0.06629 0.04050 = 0.08014 0.00298 -0.00291 -0.00333 AFIX 43 H42 2 1.038713 0.955202 0.259871 11.00000 -1.20000 AFIX 0 C43 1 0.823126 0.902268 0.059640 11.00000 0.08295 0.09947 = 0.12591 -0.03063 -0.03282 0.01144 AFIX 137 H43A 2 0.831676 0.932460 0.001919 11.00000 -1.50000 H43B 2 0.778738 0.908243 0.112326 11.00000 -1.50000 H43C 2 0.816727 0.870713 0.005780 11.00000 -1.50000 AFIX 0 N1 3 0.587167 0.848204 0.279124 11.00000 0.04869 0.04999 = 0.04927 -0.00802 0.00084 -0.00512 N2 3 0.493538 0.823169 0.136885 11.00000 0.04062 0.05962 = 0.05676 -0.00051 -0.00082 0.01008 N3 3 0.622390 0.839933 0.150059 11.00000 0.04503 0.04772 = 0.04798 -0.00406 -0.00165 0.00043 N4 3 0.650791 0.766328 0.030517 11.00000 0.03669 0.04885 = 0.03687 0.00248 0.00007 0.00430 N5 3 0.899973 0.799823 -0.183658 11.00000 0.04401 0.07438 = 0.05329 -0.00197 0.00492 -0.00835 N6 3 0.644821 0.653017 0.121398 11.00000 0.06468 0.05551 = 0.03649 0.00569 0.00350 -0.00179 O1 4 0.717341 0.783447 0.226057 11.00000 0.04863 0.06449 = 0.04751 -0.00658 -0.00331 0.00081 O2 4 0.550051 0.761698 -0.115656 11.00000 0.04482 0.08082 = 0.04836 -0.00546 -0.00813 0.00010 O3 4 1.154436 0.855601 0.298497 11.00000 0.07451 0.11712 = 0.05296 0.00977 0.00455 0.03395 O4 4 1.116568 0.914688 0.477086 11.00000 0.11301 0.07944 = 0.06643 -0.01003 -0.02328 0.00300 O5 4 1.087019 0.820472 0.486634 11.00000 0.12156 0.07807 = 0.05673 0.02826 0.00642 0.00842 O6 4 0.667847 0.917737 0.313212 11.00000 0.07658 0.05878 = 0.07932 -0.01955 0.00920 -0.01387 O7 4 0.562933 0.913770 0.433588 11.00000 0.10254 0.08287 = 0.13320 -0.05602 0.05117 -0.02425 O1W 4 0.551216 0.713055 0.265944 11.00000 0.04121 0.08936 = 0.05128 0.01375 0.00240 0.00632 H1O 2 0.506286 0.704915 0.265073 11.00000 -1.20000 H2O 2 0.591793 0.721430 0.225774 11.00000 -1.20000 S1 5 1.099689 0.866871 0.402233 11.00000 0.08038 0.06060 = 0.03959 0.00533 0.00160 0.00675 HKLF 4 REM _shaoqian20130719 REM R1 = 0.0793 for 6630 Fo > 4sig(Fo) and 0.0888 for all 7924 data REM 530 parameters refined using 2 restraints END WGHT 0.1580 0.8998 REM Highest difference peak 1.858, deepest hole -0.335, 1-sigma level 0.101 Q1 1 0.5515 0.4571 0.2852 11.00000 0.05 1.86 Q2 1 0.5000 0.5000 0.2775 10.50000 0.05 1.09 Q3 1 0.5000 0.5000 0.1585 10.50000 0.05 0.94 ; _shelx_res_checksum 89303 _shelx_hkl_file ; 0 -4 0 1182.90 49.16 0 -5 0 0.31 0.26 0 -6 0 27.96 1.25 0 -7 0 0.11 0.33 0 -8 0 825.88 34.10 0 -9 0 0.07 0.35 0 -10 0 31.66 1.57 0 -11 0 0.04 0.36 0 -11 0 0.02 0.50 0 -12 0 192.67 7.71 0 -12 0 202.93 8.37 0 -13 0 1.35 0.60 0 -13 0 1.26 0.71 0 -13 0 0.85 0.54 0 -14 0 107.71 4.45 0 -14 0 104.84 4.45 0 -14 0 101.83 4.74 0 -15 0 0.19 0.30 0 -15 0 0.22 0.48 0 -15 0 0.49 0.69 0 -15 0 -0.22 0.62 0 -16 0 9.47 0.72 0 -16 0 10.92 0.88 0 -16 0 9.83 1.51 0 -17 0 -0.13 0.32 0 -17 0 -0.24 0.80 0 -17 0 -0.04 0.45 0 -18 0 4.34 1.34 0 -18 0 3.25 0.54 0 18 0 5.35 1.45 0 -19 0 -0.16 0.88 0 19 0 0.09 0.98 0 20 0 201.18 9.65 0 21 0 -0.03 0.97 0 22 0 9.00 1.79 0 23 0 0.69 1.11 0 24 0 37.44 2.80 0 25 0 0.27 0.85 0 26 0 1.16 0.91 0 27 0 0.36 0.68 0 28 0 1.67 0.99 1 -4 0 334.69 11.40 -1 -4 0 334.17 12.16 -1 -4 0 352.84 12.86 -1 -5 0 619.33 24.53 -1 -5 0 606.08 23.84 1 -5 0 638.40 24.03 -1 -6 0 1468.37 65.32 -1 -6 0 1468.66 64.80 1 -6 0 1430.88 61.74 -1 -7 0 77.08 3.14 1 -7 0 81.26 2.92 -1 -7 0 79.43 3.31 -1 -8 0 986.52 41.67 1 -8 0 951.80 39.63 -1 -8 0 897.71 38.76 1 -9 0 59.93 2.26 -1 -9 0 71.76 3.09 -1 -9 0 64.32 2.78 -1 -10 0 329.04 13.52 -1 -10 0 344.61 13.74 1 -10 0 331.83 12.75 -1 -11 0 475.20 19.62 1 -11 0 495.12 19.66 -1 -11 0 442.67 18.82 -1 -12 0 6.73 0.89 1 -12 0 6.41 0.74 -1 -12 0 5.71 1.03 -1 -13 0 23.57 1.42 -1 -13 0 23.46 1.77 -1 -13 0 27.30 1.62 1 -13 0 26.33 1.51 1 -13 0 22.72 1.43 -1 -14 0 185.15 7.50 -1 -14 0 202.57 8.92 1 -14 0 196.59 8.41 1 -14 0 200.95 8.10 -1 -14 0 197.91 7.93 1 -14 0 192.08 8.14 -1 -14 0 209.03 8.88 1 -15 0 358.32 14.79 -1 -15 0 365.98 15.14 -1 -15 0 379.03 16.82 1 -15 0 367.31 16.16 1 -15 0 369.11 15.25 -1 -15 0 382.07 16.27 1 15 0 391.27 16.44 1 -16 0 151.57 7.12 1 -16 0 144.98 5.79 -1 -16 0 150.49 6.81 1 -16 0 148.41 6.43 1 16 0 150.19 6.17 -1 -16 0 149.51 6.00 -1 -16 0 147.14 7.18 -1 -17 0 11.52 0.88 -1 -17 0 13.73 1.70 1 -17 0 12.86 1.07 1 17 0 12.62 1.16 1 -17 0 12.33 0.82 1 -17 0 14.54 1.64 1 18 0 219.09 9.89 1 -18 0 220.18 10.57 -1 -18 0 214.41 10.62 -1 -18 0 213.13 8.90 1 -18 0 214.35 9.51 1 19 0 3.73 1.46 -1 -19 0 1.50 1.47 -1 19 0 5.15 1.06 -1 20 0 17.09 2.47 1 20 0 17.29 2.06 1 21 0 0.25 0.59 -1 21 0 -0.19 1.19 1 22 0 16.84 2.02 -1 22 0 19.46 1.68 -1 23 0 1.79 1.35 1 23 0 1.55 1.10 1 24 0 9.52 1.48 -1 24 0 10.49 1.73 1 25 0 2.86 1.06 -1 25 0 3.81 0.80 1 26 0 -0.34 0.67 -1 26 0 -0.20 0.84 -1 27 0 4.21 1.02 1 27 0 1.83 0.88 -1 28 0 1.25 0.80 1 28 0 1.42 0.65 -1 29 0 -0.20 0.51 -2 -3 0 1428.96 62.38 -2 -3 0 1543.72 67.47 -2 3 0 1376.69 60.13 -2 -4 0 1084.81 46.21 -2 -4 0 1195.22 51.05 2 -5 0 330.22 11.13 -2 -5 0 379.08 14.50 -2 -5 0 436.53 16.50 2 -5 0 346.23 11.62 2 -6 0 698.23 26.85 -2 -6 0 826.72 33.92 -2 -6 0 788.65 32.74 -2 -7 0 2132.62 100.81 -2 -7 0 2033.74 96.22 2 -7 0 2036.54 93.17 -2 -8 0 100.74 4.30 -2 -8 0 101.84 4.22 2 -8 0 98.01 3.28 2 -9 0 154.09 5.37 -2 -9 0 158.25 6.37 -2 -9 0 147.92 6.24 2 -10 0 4.30 0.43 -2 -10 0 3.93 0.87 -2 -10 0 3.44 0.93 -2 -11 0 77.22 3.57 -2 -11 0 72.24 3.57 2 -11 0 73.17 2.68 2 -12 0 6.94 0.53 -2 -12 0 10.12 1.19 2 -12 0 7.43 0.89 -2 -12 0 7.20 1.04 2 13 0 187.26 7.72 2 -13 0 178.55 6.78 -2 -13 0 183.26 7.77 -2 -13 0 195.11 8.32 -2 -14 0 27.43 1.97 -2 -14 0 22.27 1.92 2 14 0 24.09 1.73 -2 -14 0 22.40 1.17 2 -14 0 22.53 1.60 2 15 0 250.61 10.09 -2 -15 0 257.09 10.38 -2 -15 0 244.24 11.20 2 -15 0 239.03 9.95 -2 -15 0 240.08 9.69 -2 -15 0 241.81 10.97 2 -16 0 28.26 2.13 -2 -16 0 28.05 1.41 2 -16 0 28.59 1.36 2 -16 0 27.71 2.01 -2 -16 0 28.35 2.15 -2 -16 0 26.56 2.31 2 16 0 30.11 2.15 -2 -17 0 1.29 0.49 -2 -17 0 1.31 1.01 -2 -17 0 1.26 1.12 2 17 0 1.92 1.02 2 -17 0 1.00 1.04 2 -17 0 1.24 0.40 2 -17 0 1.07 0.97 2 -18 0 48.40 3.34 -2 -18 0 49.76 2.34 2 18 0 51.09 3.06 -2 -18 0 48.85 3.47 2 -18 0 46.18 2.38 -2 -19 0 10.93 1.94 2 19 0 11.48 1.68 -2 -19 0 12.02 0.94 2 -19 0 11.48 1.89 2 20 0 1.30 1.14 2 -20 0 1.32 0.78 2 21 0 73.47 4.14 -2 21 0 70.71 3.88 2 22 0 6.63 1.39 -2 22 0 8.63 2.11 2 23 0 6.96 1.32 -2 23 0 6.82 1.90 2 24 0 3.39 1.03 -2 24 0 3.00 1.50 2 25 0 -0.16 0.65 -2 25 0 -0.18 0.99 -2 26 0 0.62 0.91 2 26 0 0.40 0.65 2 27 0 1.33 0.80 -2 27 0 3.16 0.97 -2 28 0 1.38 0.83 -2 29 0 -0.10 0.49 -3 0 0 0.14 0.24 -3 0 0 0.08 0.42 -3 1 0 9.42 0.61 -3 1 0 9.24 0.83 -3 -1 0 8.95 0.61 -3 -1 0 8.42 0.66 -3 2 0 400.28 14.25 -3 -2 0 397.03 15.12 -3 -2 0 387.07 14.79 -3 2 0 398.75 15.31 -3 -3 0 2341.90 111.03 -3 -3 0 2420.87 115.18 -3 3 0 2106.19 100.73 -3 -4 0 1034.86 44.04 -3 -4 0 978.34 41.52 -3 4 0 1070.82 45.47 -3 -5 0 443.47 17.80 -3 -5 0 411.25 16.52 -3 -6 0 108.57 4.53 -3 -6 0 94.56 3.74 -3 -7 0 116.91 4.93 -3 -7 0 116.71 5.00 -3 -8 0 9.92 1.20 -3 -8 0 10.92 1.25 -3 -9 0 319.07 12.65 -3 -9 0 313.20 13.13 -3 -10 0 217.99 9.37 -3 -10 0 220.56 9.13 -3 -11 0 108.22 4.76 -3 -11 0 99.04 4.70 -3 -12 0 124.95 5.55 3 -12 0 133.80 5.36 -3 -12 0 132.01 6.05 -3 -13 0 2.97 0.99 -3 -13 0 1.79 0.91 3 -13 0 2.35 0.79 3 13 0 3.16 0.69 -3 -13 0 1.85 0.45 -3 -13 0 1.55 0.37 3 -14 0 169.39 6.57 -3 -14 0 175.26 7.97 -3 -14 0 174.22 7.03 3 14 0 180.29 7.49 -3 -14 0 171.36 6.67 -3 -14 0 177.60 8.16 3 15 0 2.70 0.84 -3 -15 0 2.24 0.51 -3 -15 0 3.57 1.28 -3 -15 0 3.73 1.23 -3 -15 0 2.25 0.53 3 -15 0 2.85 0.98 3 16 0 26.13 1.90 3 -16 0 19.28 1.94 -3 -16 0 29.56 2.57 -3 -16 0 28.84 1.51 -3 -16 0 26.24 1.46 -3 -16 0 25.28 2.33 3 -17 0 46.41 2.90 -3 -17 0 43.51 2.12 3 -17 0 46.06 1.99 -3 -17 0 42.65 3.05 3 -17 0 44.16 2.84 -3 -17 0 43.72 3.30 3 17 0 46.72 2.75 -3 -17 0 44.64 2.06 3 -18 0 13.21 1.80 -3 -18 0 12.12 1.77 3 -18 0 12.41 1.20 3 18 0 14.69 1.55 -3 -18 0 14.15 2.00 -3 -18 0 12.13 1.03 -3 -18 0 11.84 0.91 -3 -19 0 26.34 1.49 3 19 0 28.91 2.15 -3 -19 0 22.39 2.68 3 -19 0 25.28 2.56 3 -20 0 35.85 3.11 3 20 0 36.49 2.56 3 21 0 4.40 1.13 3 -21 0 3.60 1.01 3 22 0 16.62 1.68 -3 22 0 20.15 2.72 3 23 0 4.28 1.01 -3 23 0 5.80 1.88 3 24 0 41.76 2.50 -3 24 0 41.06 3.35 3 25 0 7.40 1.16 -3 25 0 11.09 1.85 -3 26 0 -0.54 1.08 -3 27 0 1.15 0.96 -3 28 0 2.42 0.95 -3 29 0 0.53 0.58 -4 0 0 881.11 37.63 -4 0 0 892.86 36.78 -4 -1 0 225.44 8.56 -4 1 0 221.06 7.87 -4 1 0 219.19 8.36 -4 -1 0 212.95 8.11 -4 2 0 87.22 3.75 -4 -2 0 86.64 3.68 -4 2 0 90.14 3.18 -4 -2 0 87.91 3.48 -4 -3 0 87.27 3.48 -4 3 0 82.01 2.66 -4 3 0 93.17 3.91 -4 -3 0 85.74 3.77 -4 4 0 1749.01 80.32 -4 -4 0 1675.93 77.35 -4 4 0 1554.61 68.20 -4 -4 0 1764.77 81.68 -4 5 0 397.47 15.96 -4 -5 0 378.87 15.00 -4 -5 0 399.56 16.41 -4 -6 0 75.72 3.62 -4 -6 0 69.70 2.95 -4 -7 0 393.58 16.42 -4 -7 0 402.52 16.93 -4 -8 0 318.09 13.24 -4 -8 0 316.47 13.43 -4 -9 0 81.06 4.09 -4 -9 0 82.76 3.93 -4 -10 0 0.74 0.53 -4 -10 0 1.29 0.92 -4 -11 0 4.67 1.11 -4 -11 0 2.51 0.67 4 -11 0 3.61 0.74 -4 -12 0 19.54 1.83 -4 -12 0 16.87 0.76 4 -12 0 18.77 1.35 -4 -12 0 19.03 1.65 -4 13 0 140.52 5.56 -4 -13 0 130.95 6.58 4 -13 0 147.00 6.03 -4 -13 0 141.93 5.66 4 13 0 145.16 5.80 -4 -13 0 134.18 5.12 -4 -13 0 140.28 6.51 -4 -14 0 4.79 1.23 -4 -14 0 6.83 1.45 4 14 0 7.06 0.86 -4 -14 0 4.19 0.62 -4 -14 0 4.24 0.55 -4 14 0 5.11 0.56 4 -14 0 5.26 1.13 4 15 0 119.73 5.20 4 -15 0 111.46 5.02 -4 -15 0 108.51 5.88 -4 -15 0 102.59 5.35 -4 -15 0 117.69 4.86 -4 -15 0 103.75 4.13 4 -16 0 89.86 3.89 -4 -16 0 89.42 3.49 -4 -16 0 89.69 5.14 4 16 0 100.53 4.55 -4 -16 0 95.24 4.01 -4 -16 0 87.95 4.93 -4 -17 0 52.40 2.52 -4 -17 0 51.89 3.83 4 -17 0 38.78 2.80 4 17 0 44.10 2.55 -4 -17 0 39.73 2.03 -4 -17 0 39.59 3.40 4 -18 0 16.22 2.10 4 18 0 15.34 1.50 4 -18 0 16.73 1.93 -4 -18 0 15.82 1.09 -4 -18 0 15.61 1.15 -4 -18 0 17.00 2.21 -4 -18 0 14.00 2.30 4 19 0 1.48 0.88 -4 -19 0 2.40 1.56 4 -19 0 1.83 1.39 -4 -19 0 0.96 1.63 -4 -19 0 1.71 0.59 -4 -19 0 1.06 0.56 4 20 0 101.86 4.94 -4 -20 0 105.54 4.51 4 -20 0 110.14 6.01 4 -21 0 1.07 0.90 4 21 0 1.51 0.79 -4 22 0 1.60 1.09 4 22 0 1.21 0.72 -4 23 0 3.26 1.12 4 23 0 2.33 0.88 -4 24 0 7.89 1.84 4 24 0 4.17 0.94 -4 25 0 29.56 2.82 -4 26 0 0.48 0.65 -4 27 0 2.73 1.15 -4 28 0 7.56 1.23 -4 29 0 -0.28 0.57 -5 0 0 -0.06 0.39 -5 0 0 0.22 0.61 -5 1 0 104.52 4.23 -5 -1 0 100.28 4.12 -5 -1 0 107.40 4.41 -5 1 0 103.22 3.85 -5 -2 0 323.39 12.86 -5 2 0 316.72 11.81 -5 -2 0 306.13 12.77 -5 2 0 312.44 12.39 -5 -3 0 487.61 20.51 -5 -3 0 486.46 20.01 -5 3 0 464.70 17.71 -5 3 0 494.94 20.42 -5 4 0 249.07 10.23 -5 -4 0 251.87 10.62 -5 -4 0 262.79 10.80 -5 4 0 255.37 8.94 -5 5 0 161.13 6.42 -5 -5 0 168.83 7.35 -5 -5 0 174.84 7.39 -5 -6 0 8.82 1.39 -5 6 0 9.78 1.14 -5 -6 0 9.52 1.43 -5 -7 0 41.99 2.64 -5 -7 0 46.81 2.84 -5 -8 0 477.92 20.42 -5 -8 0 477.60 20.38 -5 -9 0 15.88 1.81 -5 -9 0 15.07 1.65 -5 -10 0 30.71 2.33 5 -10 0 34.50 1.73 -5 -10 0 36.50 2.08 -5 -10 0 30.96 1.41 -5 -11 0 28.06 2.37 -5 -11 0 27.25 1.66 5 -11 0 26.54 1.61 -5 -11 0 25.98 1.07 -5 -11 0 24.83 1.27 5 -12 0 150.20 5.76 -5 -12 0 128.84 6.67 -5 -12 0 148.16 6.38 -5 -12 0 149.09 5.44 -5 -12 0 147.96 5.96 -5 12 0 150.87 5.92 -5 -13 0 32.29 1.34 5 13 0 34.33 1.76 -5 -13 0 33.37 1.67 -5 -13 0 35.76 2.85 -5 -13 0 31.93 1.94 -5 13 0 35.74 1.62 5 -13 0 33.54 1.65 5 14 0 88.30 3.81 -5 14 0 89.37 3.45 -5 -14 0 79.51 4.44 -5 -14 0 88.18 3.55 -5 -14 0 95.35 5.37 5 -14 0 92.84 3.86 -5 -14 0 90.54 3.84 -5 -15 0 84.51 4.79 -5 -15 0 81.84 3.43 -5 -15 0 85.16 3.73 -5 -15 0 83.03 4.99 5 -15 0 87.01 3.75 -5 15 0 84.02 3.49 5 15 0 82.33 3.75 -5 -16 0 9.59 0.69 5 -16 0 10.52 1.66 -5 -16 0 10.20 0.94 -5 -16 0 11.83 2.03 5 16 0 10.44 1.05 -5 -16 0 8.87 1.77 -5 -17 0 12.38 2.03 5 17 0 14.55 1.26 5 -17 0 15.20 1.96 -5 -17 0 13.56 1.08 -5 -17 0 13.44 1.08 -5 -17 0 15.69 2.35 5 -18 0 0.58 1.25 -5 -18 0 0.57 1.41 5 18 0 -0.01 0.58 -5 -18 0 0.54 0.50 -5 -18 0 0.74 0.57 -5 -18 0 -0.59 1.42 -5 -19 0 69.97 3.20 -5 -19 0 69.75 3.29 -5 -19 0 71.06 5.26 -5 -19 0 69.52 4.98 5 -19 0 73.91 4.56 5 19 0 72.01 3.59 -5 -20 0 20.51 1.12 5 -20 0 21.83 2.56 5 20 0 20.76 1.64 -5 -20 0 18.66 1.37 5 21 0 7.31 0.99 5 -21 0 6.80 1.87 -5 -21 0 5.04 0.83 5 22 0 0.39 0.61 5 -22 0 0.64 1.21 -5 23 0 30.20 3.22 -5 24 0 1.56 1.56 -5 25 0 3.75 1.67 -5 26 0 1.07 1.20 -5 27 0 9.48 1.57 -5 28 0 2.66 0.99 -5 29 0 0.75 0.63 -6 0 0 2.30 1.04 -6 0 0 1.35 0.64 -6 -1 0 75.74 3.88 -6 1 0 81.00 4.00 -6 1 0 77.18 3.10 -6 -1 0 81.99 3.57 -6 -2 0 84.64 3.47 -6 2 0 89.32 4.28 -6 2 0 85.92 3.28 -6 -2 0 86.01 4.24 -6 -3 0 1184.95 54.27 -6 3 0 1145.11 49.35 -6 3 0 1198.98 54.36 -6 -3 0 1190.62 52.91 -6 -4 0 108.39 5.14 -6 4 0 103.95 3.62 -6 -4 0 100.36 4.83 -6 4 0 102.73 4.78 -6 5 0 398.99 16.61 -6 -5 0 406.41 17.47 -6 -5 0 388.71 16.50 -6 5 0 350.37 12.76 -6 -6 0 17.46 1.33 -6 -6 0 20.98 1.96 -6 6 0 18.56 1.70 -6 -7 0 9.47 1.45 -6 7 0 7.75 0.84 -6 -7 0 8.57 1.52 -6 -8 0 131.52 6.26 -6 -8 0 138.88 6.73 6 -9 0 159.82 6.27 -6 -9 0 161.94 6.10 -6 -9 0 169.76 7.78 -6 -9 0 174.22 8.19 -6 -10 0 37.82 2.20 -6 -10 0 36.74 1.77 -6 -10 0 37.98 2.90 6 -10 0 36.50 1.60 -6 -10 0 38.79 1.51 -6 -11 0 214.39 8.67 -6 -11 0 225.49 10.67 -6 11 0 214.23 8.39 -6 -11 0 218.51 9.97 -6 -11 0 216.22 8.30 6 -11 0 210.02 8.42 -6 -12 0 168.37 7.98 -6 -12 0 167.38 6.81 6 -12 0 177.22 7.28 -6 -12 0 168.88 8.58 6 12 0 158.63 6.83 -6 -12 0 174.99 6.73 -6 12 0 177.77 6.91 -6 -13 0 37.59 1.57 -6 -13 0 38.15 1.93 -6 -13 0 39.18 3.16 -6 -13 0 38.76 2.86 -6 13 0 38.66 1.79 6 13 0 36.70 1.90 6 -13 0 40.65 2.39 6 -14 0 52.21 2.98 -6 14 0 48.32 2.21 -6 -14 0 47.40 2.97 -6 -14 0 46.78 2.19 6 14 0 48.81 2.41 -6 -14 0 49.07 2.39 -6 -14 0 50.62 3.60 6 -15 0 32.07 2.57 -6 -15 0 31.58 1.72 6 15 0 29.75 1.73 -6 15 0 33.99 1.70 -6 -15 0 31.39 3.03 -6 -15 0 29.41 1.74 -6 -15 0 33.20 2.86 -6 16 0 18.91 1.23 -6 -16 0 19.88 2.29 -6 -16 0 17.83 1.31 -6 -16 0 18.53 1.37 6 -16 0 19.28 2.15 -6 -16 0 22.19 2.66 6 16 0 18.70 1.41 -6 -17 0 21.85 1.46 -6 -17 0 21.36 1.15 -6 -17 0 21.82 2.63 6 17 0 19.29 1.41 6 -17 0 22.18 2.43 -6 -17 0 22.04 2.99 -6 -18 0 2.61 1.83 6 18 0 2.66 0.73 -6 -18 0 1.61 0.76 -6 -18 0 2.57 0.71 -6 -18 0 4.22 1.74 6 -18 0 3.21 1.03 6 19 0 15.62 1.37 -6 -19 0 17.72 2.87 -6 -19 0 14.02 3.13 6 -19 0 18.60 1.76 -6 -19 0 16.81 1.35 -6 -19 0 17.44 1.46 6 -20 0 0.66 1.31 -6 -20 0 0.26 0.52 -6 -20 0 -0.49 1.74 -6 -20 0 0.40 0.58 6 -21 0 3.18 1.67 -6 -21 0 3.51 0.71 6 -22 0 14.88 2.25 -6 -22 0 11.93 1.14 -6 23 0 5.11 1.31 -6 24 0 1.56 1.67 -6 25 0 -0.15 1.16 -6 26 0 10.78 1.87 -6 27 0 -0.41 0.95 -6 28 0 -0.07 0.66 -7 0 0 -0.25 0.56 -7 0 0 -0.09 0.93 -7 1 0 21.67 1.28 -7 1 0 19.70 1.95 -7 -1 0 19.37 1.15 -7 -1 0 12.79 1.80 -7 2 0 120.30 4.87 -7 -2 0 116.54 5.65 -7 -2 0 118.61 5.19 -7 2 0 117.93 5.56 -7 3 0 0.31 0.46 -7 -3 0 0.63 0.58 -7 -3 0 0.62 0.82 -7 3 0 0.61 0.89 -7 -4 0 567.29 25.21 -7 4 0 564.60 24.17 -7 -4 0 583.63 25.20 -7 4 0 582.56 23.43 -7 -5 0 321.49 13.93 -7 5 0 307.78 11.50 -7 5 0 335.91 14.34 -7 -5 0 331.64 14.70 -7 -6 0 29.18 2.40 -7 6 0 29.37 2.13 -7 -6 0 25.71 1.77 -7 -7 0 1.12 0.71 -7 -7 0 1.03 1.10 -7 7 0 0.66 0.92 -7 -7 0 0.89 0.42 -7 -8 0 21.06 0.96 -7 -8 0 21.78 1.62 7 -8 0 22.36 1.00 -7 -8 0 23.74 1.29 -7 -8 0 23.45 2.28 -7 -9 0 241.77 9.26 -7 -9 0 252.85 9.83 -7 -9 0 247.73 10.61 7 -9 0 239.42 9.39 -7 -9 0 249.94 11.05 -7 9 0 241.10 9.28 -7 -10 0 50.26 1.96 -7 10 0 51.18 2.11 7 -10 0 54.01 2.23 -7 -10 0 52.37 2.18 -7 -10 0 52.17 2.81 -7 -10 0 52.99 2.99 -7 -11 0 39.75 2.03 -7 11 0 41.65 1.81 -7 -11 0 42.36 3.04 7 -11 0 41.65 2.26 -7 -11 0 41.41 3.29 -7 -11 0 39.60 1.91 7 -12 0 23.49 1.82 -7 -12 0 23.66 1.81 -7 -12 0 24.17 1.13 -7 -12 0 21.97 1.94 -7 -12 0 23.23 1.46 -7 12 0 24.58 1.28 -7 -13 0 36.54 2.52 7 -13 0 34.93 2.35 -7 -13 0 33.34 1.76 -7 -13 0 32.97 1.83 -7 13 0 35.20 1.69 -7 -13 0 34.30 3.03 7 -14 0 6.77 1.43 -7 -14 0 6.05 0.91 -7 -14 0 5.27 1.98 -7 14 0 6.80 0.74 -7 -14 0 6.54 0.93 -7 -14 0 8.57 1.89 -7 -15 0 26.88 1.44 -7 -15 0 28.39 3.07 -7 -15 0 27.99 2.77 -7 -15 0 24.93 1.64 7 -15 0 27.79 2.40 -7 15 0 28.71 1.57 -7 -16 0 36.80 2.12 -7 16 0 35.25 1.84 -7 -16 0 34.27 3.20 -7 -16 0 34.91 1.99 7 -16 0 37.90 2.98 -7 -16 0 36.09 3.71 7 -17 0 70.28 3.48 -7 -17 0 58.26 3.68 -7 -17 0 68.90 3.23 -7 -17 0 66.69 3.29 -7 -17 0 60.87 5.04 -7 -18 0 53.42 2.83 -7 -18 0 57.22 4.97 7 -18 0 60.93 3.24 -7 -18 0 59.65 2.94 -7 -18 0 53.51 4.62 -7 -19 0 46.67 2.56 -7 -19 0 42.73 4.24 7 -19 0 50.58 2.88 -7 -19 0 45.03 2.46 -7 -20 0 64.71 3.30 -7 -20 0 58.84 5.49 7 -20 0 68.36 4.44 -7 -20 0 61.90 3.12 7 -21 0 0.14 1.16 -7 -21 0 -0.15 0.54 7 -22 0 30.21 2.10 -7 -22 0 28.91 1.84 7 -23 0 3.11 0.79 -7 -23 0 -0.11 0.50 -7 24 0 0.96 1.53 -7 25 0 3.69 1.71 -7 26 0 31.53 2.82 -7 27 0 0.16 0.81 -7 28 0 21.06 1.82 -8 0 0 7.15 1.06 -8 0 0 6.92 1.04 -8 -1 0 131.20 5.83 -8 1 0 127.81 6.31 -8 1 0 128.78 5.30 -8 -1 0 128.25 5.60 -8 -2 0 52.90 2.85 -8 -2 0 51.89 3.29 -8 2 0 51.05 3.32 -8 2 0 47.14 2.19 -8 -3 0 0.86 0.74 -8 -3 0 1.10 0.92 -8 3 0 0.89 0.44 -8 3 0 0.58 1.08 -8 4 0 533.53 23.87 -8 4 0 540.30 21.74 -8 -4 0 538.51 23.06 -8 -4 0 510.54 22.52 -8 -5 0 163.51 7.92 -8 -5 0 146.98 5.66 -8 5 0 148.18 5.49 -8 -5 0 155.75 6.10 -8 5 0 163.13 7.50 -8 5 0 159.97 5.92 -8 -5 0 163.20 7.68 -8 -6 0 190.41 7.27 -8 6 0 208.57 8.88 -8 -6 0 197.27 9.08 -8 -6 0 202.87 7.65 8 -6 0 181.33 7.00 -8 6 0 189.44 7.02 -8 -6 0 173.05 7.99 -8 -7 0 208.90 8.00 -8 -7 0 198.85 7.37 -8 7 0 201.72 7.46 -8 -7 0 205.44 8.96 8 -7 0 195.40 7.63 -8 -7 0 213.98 9.53 -8 7 0 208.69 8.92 -8 8 0 48.06 2.00 8 -8 0 45.74 1.85 -8 -8 0 49.42 2.17 -8 -8 0 52.64 3.65 -8 -8 0 52.62 3.42 -8 -8 0 52.70 2.42 -8 -9 0 61.29 2.77 8 -9 0 61.14 2.75 -8 -9 0 56.13 2.46 -8 -9 0 58.75 4.12 -8 9 0 59.61 2.45 -8 -9 0 58.92 3.74 -8 -10 0 23.26 2.45 -8 -10 0 24.76 1.53 8 -10 0 24.46 1.69 -8 10 0 23.80 1.24 -8 -10 0 24.03 1.38 -8 -10 0 27.94 2.79 -8 -11 0 55.63 2.57 -8 11 0 63.00 2.60 -8 -11 0 57.34 2.78 -8 -11 0 56.24 4.28 -8 -11 0 56.82 3.97 8 -11 0 60.16 3.01 -8 -12 0 53.82 2.54 -8 12 0 54.85 2.23 8 -12 0 55.18 3.06 -8 -12 0 52.32 4.16 -8 -12 0 57.44 3.30 -8 -12 0 53.14 2.66 -8 -13 0 5.54 0.95 8 -13 0 5.37 1.37 -8 -13 0 5.48 0.95 -8 -13 0 7.69 1.81 -8 13 0 5.46 0.75 -8 -13 0 4.93 2.02 -8 -14 0 5.96 0.92 8 -14 0 5.58 1.52 -8 -14 0 9.03 1.84 -8 -14 0 5.41 0.66 -8 -14 0 4.82 2.12 -8 14 0 5.25 0.73 -8 -15 0 15.21 1.37 -8 -15 0 15.33 1.71 -8 15 0 16.69 1.20 -8 -15 0 14.18 0.99 -8 -15 0 17.81 2.94 8 -15 0 15.55 2.15 8 -16 0 23.56 2.53 -8 -16 0 20.03 3.20 -8 -16 0 21.11 1.58 -8 -16 0 19.38 1.97 -8 16 0 22.66 1.42 -8 -16 0 21.66 1.26 -8 -17 0 0.99 0.76 8 -17 0 1.04 1.49 -8 -17 0 2.20 0.81 -8 -17 0 1.13 1.64 -8 17 0 1.70 0.61 -8 -17 0 1.35 1.96 8 -18 0 -0.54 1.15 -8 -18 0 -0.32 0.64 -8 -18 0 0.03 0.55 -8 -18 0 0.13 1.07 -8 -18 0 0.24 1.42 -8 -19 0 1.45 0.69 -8 -19 0 1.78 1.98 -8 -19 0 1.47 0.85 8 -19 0 2.27 1.55 -8 -20 0 -2.92 2.53 8 -20 0 1.76 1.53 -8 -20 0 1.82 0.84 -8 -20 0 1.53 0.68 8 -21 0 19.49 2.61 -8 -21 0 21.51 1.73 8 -22 0 -0.14 1.16 -8 -22 0 0.26 0.59 -8 -23 0 0.11 0.53 8 -23 0 12.56 1.54 -8 -24 0 0.19 0.44 -8 24 0 -0.04 0.73 -8 25 0 8.93 1.90 -8 26 0 2.71 1.42 -8 27 0 10.00 1.50 -9 0 0 -0.20 0.34 -9 0 0 0.22 0.53 -9 0 0 0.41 0.85 -9 -1 0 166.48 7.28 -9 1 0 162.63 6.83 -9 -1 0 164.54 8.08 -9 1 0 162.29 6.29 -9 -1 0 164.15 6.41 -9 1 0 163.16 7.96 -9 2 0 169.53 6.93 -9 -2 0 172.02 8.30 -9 -2 0 177.88 7.96 -9 2 0 168.59 8.13 -9 -2 0 170.67 6.43 -9 2 0 173.77 6.72 -9 -3 0 5.05 1.47 -9 3 0 3.95 0.57 -9 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1.26 -9 -11 0 16.09 2.85 -9 -11 0 21.70 1.57 -9 -11 0 21.96 1.60 -9 -12 0 7.35 1.35 -9 12 0 7.97 0.83 -9 -12 0 7.28 0.74 9 -12 0 9.57 1.44 -9 -12 0 8.00 2.25 -9 -12 0 8.10 1.09 9 -13 0 9.47 1.62 -9 -13 0 7.70 1.13 -9 13 0 7.89 0.65 -9 -13 0 8.68 1.17 -9 -13 0 6.05 1.60 -9 -13 0 10.40 2.07 -9 -14 0 0.64 0.45 -9 -14 0 0.82 0.70 9 -14 0 0.73 1.14 -9 14 0 0.08 0.52 -9 -14 0 0.50 1.70 -9 -14 0 0.82 0.90 -9 15 0 9.06 0.98 -9 -15 0 8.13 2.66 -9 -15 0 10.49 2.25 -9 -15 0 7.76 1.27 -9 -15 0 8.34 1.16 9 -15 0 11.75 1.92 -9 -16 0 20.81 1.60 -9 -16 0 19.15 3.50 9 -16 0 20.75 2.50 -9 -16 0 16.06 2.75 -9 16 0 18.59 1.07 -9 -16 0 19.17 1.69 -9 -17 0 2.26 0.96 -9 -17 0 2.00 0.90 -9 -17 0 2.78 1.96 9 -17 0 2.08 1.66 -9 17 0 2.54 0.70 -9 -17 0 0.90 2.21 -9 -18 0 57.71 6.03 9 -18 0 65.02 4.27 -9 -18 0 61.20 3.21 -9 -18 0 55.43 4.05 -9 -18 0 58.05 3.03 -9 -19 0 147.28 6.81 9 -19 0 167.60 8.51 -9 -19 0 151.31 6.86 -9 -19 0 140.85 10.28 -9 -20 0 1.49 0.78 -9 -20 0 2.47 0.61 9 -20 0 2.73 1.58 -9 -21 0 0.64 0.45 9 -21 0 -0.17 1.25 -9 -22 0 0.62 0.65 9 -22 0 -0.28 1.18 9 -23 0 10.36 1.30 -9 -23 0 0.19 0.33 -9 -24 0 0.02 0.44 -9 24 0 2.53 1.29 -9 25 0 2.77 1.52 -9 26 0 1.35 1.13 -9 27 0 0.33 0.73 -10 0 0 3.81 1.49 -10 0 0 3.12 0.65 -10 0 0 4.06 1.00 -10 -1 0 11.12 0.98 -10 1 0 10.29 1.14 -10 -1 0 11.73 1.03 -10 1 0 11.60 0.70 -10 -1 0 12.31 1.96 -10 1 0 13.20 1.37 -10 -1 0 11.61 0.60 -10 -2 0 2.15 0.65 -10 -2 0 2.29 1.11 -10 2 0 2.45 0.56 -10 2 0 2.96 0.66 -10 -2 0 3.36 1.51 -10 -2 0 1.68 0.45 -10 2 0 3.09 1.38 10 -2 0 1.71 0.42 10 -3 0 12.88 0.70 -10 -3 0 13.93 0.98 -10 -3 0 15.21 1.14 -10 3 0 14.95 1.11 -10 3 0 14.22 2.07 -10 -3 0 16.74 2.22 -10 -3 0 15.21 1.80 -10 3 0 12.76 1.35 -10 -4 0 216.67 10.24 -10 4 0 210.70 8.26 -10 -4 0 208.63 9.62 10 -4 0 187.98 7.47 -10 -4 0 221.59 8.65 -10 -4 0 213.47 8.22 -10 4 0 216.94 10.23 -10 5 0 15.87 1.89 10 -5 0 12.64 0.90 -10 5 0 12.23 1.00 -10 -5 0 16.87 2.03 -10 -5 0 12.19 1.13 -10 -5 0 14.66 2.20 -10 -5 0 13.75 1.07 10 -6 0 33.52 1.49 -10 -6 0 33.55 2.33 -10 -6 0 35.54 3.28 -10 -6 0 36.61 1.91 -10 6 0 35.90 1.76 -10 -6 0 38.71 1.71 -10 6 0 36.03 2.86 10 -7 0 11.73 1.01 -10 7 0 13.02 0.97 -10 -7 0 13.15 2.37 -10 -7 0 11.07 1.47 -10 -7 0 14.31 1.18 -10 7 0 14.38 1.87 -10 -7 0 11.88 0.86 10 -8 0 9.45 0.99 -10 -8 0 9.95 2.25 -10 -8 0 9.80 1.09 -10 8 0 8.98 0.63 -10 -8 0 9.99 1.08 -10 -8 0 10.81 2.07 -10 -9 0 36.87 2.16 -10 -9 0 33.63 3.50 -10 9 0 34.13 1.73 -10 -9 0 37.39 3.31 10 -9 0 35.46 2.07 -10 -9 0 36.84 2.12 -10 -10 0 65.77 4.93 -10 -10 0 69.75 3.35 -10 -10 0 70.35 4.65 -10 -10 0 62.51 3.22 -10 10 0 68.08 2.96 10 -10 0 67.09 3.43 -10 -11 0 5.10 1.03 -10 -11 0 3.52 0.98 10 -11 0 3.24 1.19 -10 11 0 3.11 0.72 -10 -11 0 4.68 1.84 -10 -11 0 4.17 2.12 -10 -12 0 30.30 2.08 10 -12 0 30.81 2.46 -10 -12 0 33.13 2.15 -10 -12 0 29.62 3.27 -10 -12 0 27.37 3.71 -10 12 0 35.35 1.85 -10 -13 0 2.79 2.15 10 -13 0 3.84 1.40 -10 -13 0 3.35 0.99 -10 -13 0 2.85 0.94 -10 -13 0 2.90 1.80 -10 13 0 2.69 0.48 10 -14 0 5.46 1.04 -10 -14 0 4.54 0.72 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-1 0 6.02 1.78 -11 -1 0 4.19 0.51 11 -1 0 3.86 0.53 -11 -1 0 5.59 0.81 -11 -2 0 8.08 1.42 -11 -2 0 8.57 1.86 -11 2 0 7.04 1.08 -11 -2 0 6.52 0.68 11 -2 0 5.57 0.60 -11 2 0 8.45 1.83 -11 2 0 6.97 0.86 -11 -2 0 6.83 0.91 -11 -3 0 42.99 2.90 11 -3 0 42.26 1.93 -11 3 0 45.35 3.52 -11 -3 0 44.77 1.99 -11 3 0 47.30 2.27 -11 -3 0 48.44 2.17 -11 -3 0 46.18 3.10 -11 4 0 45.21 3.35 -11 -4 0 48.10 3.73 -11 -4 0 44.00 3.18 11 -4 0 41.60 1.99 -11 -4 0 48.15 2.22 -11 -4 0 46.09 2.34 -11 4 0 49.57 2.34 -11 -5 0 8.48 1.82 -11 -5 0 8.05 1.05 -11 5 0 9.10 1.78 -11 -5 0 9.36 2.16 11 -5 0 6.63 0.78 -11 5 0 7.33 0.89 -11 -5 0 8.27 0.92 -11 -6 0 5.36 1.33 -11 6 0 6.11 0.83 11 -6 0 5.55 0.76 -11 -6 0 6.70 0.93 -11 -6 0 4.25 1.72 -11 6 0 5.75 1.70 -11 -6 0 5.37 0.68 -11 7 0 12.48 1.12 -11 -7 0 11.05 2.25 -11 -7 0 12.17 2.54 -11 -7 0 12.15 1.25 11 -7 0 11.30 1.12 -11 7 0 11.66 2.09 -11 -7 0 12.72 1.32 -11 -8 0 20.41 1.65 11 -8 0 19.51 1.49 -11 -8 0 21.96 2.72 -11 -8 0 20.96 2.99 -11 -8 0 21.76 1.60 -11 8 0 18.49 1.29 -11 -9 0 123.04 6.86 11 -9 0 130.16 5.74 -11 -9 0 135.90 6.06 -11 9 0 132.48 5.57 -11 -9 0 131.68 7.61 -11 -9 0 134.66 5.92 -11 -10 0 51.57 4.20 -11 -10 0 52.06 2.93 -11 -10 0 55.35 2.98 -11 -10 0 52.25 4.73 11 -10 0 45.99 2.90 -11 10 0 53.15 2.60 11 -11 0 46.73 2.92 -11 11 0 48.91 2.39 -11 -11 0 47.94 2.75 -11 -11 0 46.86 3.88 -11 -11 0 48.66 2.83 -11 -11 0 46.59 4.48 -11 -12 0 0.19 0.46 -11 -12 0 -0.18 1.28 -11 12 0 -0.44 0.53 -11 -12 0 -0.05 0.73 -11 -12 0 -1.66 1.67 11 -12 0 -0.68 0.96 -11 -13 0 10.00 2.58 -11 -13 0 10.01 1.33 -11 13 0 9.99 1.09 11 -13 0 10.08 1.21 -11 -13 0 10.47 1.46 -11 -13 0 9.06 2.97 -11 -14 0 0.11 2.40 -11 -14 0 2.78 0.97 -11 14 0 1.69 0.47 -11 -14 0 1.35 2.04 -11 -14 0 2.68 1.09 11 -14 0 1.58 1.42 -11 -15 0 24.68 2.05 -11 -15 0 21.64 3.55 -11 -15 0 22.91 1.45 -11 -15 0 21.29 3.96 -11 15 0 25.27 1.65 11 -15 0 26.12 2.62 -11 -16 0 0.45 2.15 -11 16 0 0.42 0.55 -11 -16 0 -0.13 0.83 -11 -16 0 -0.43 1.76 -11 -16 0 0.64 0.72 11 -16 0 0.21 1.21 11 -17 0 25.33 2.63 -11 -17 0 23.05 1.84 -11 -17 0 20.06 3.86 -11 -17 0 24.68 2.00 -11 -17 0 18.98 4.98 -11 17 0 24.52 1.65 -11 -18 0 48.68 3.10 11 -18 0 49.59 3.58 -11 -18 0 48.71 2.87 -11 -19 0 11.38 1.07 -11 -19 0 10.72 1.29 11 -19 0 12.60 1.95 -11 -20 0 15.00 1.65 11 -20 0 16.09 2.12 11 -21 0 3.56 1.44 -11 -21 0 3.82 1.03 -11 -22 0 12.70 1.34 11 -22 0 10.00 1.75 -11 -23 0 -0.13 0.46 -11 23 0 0.94 0.72 -11 -24 0 0.48 0.50 -11 24 0 2.32 1.25 -11 25 0 2.39 1.24 -12 0 0 20.54 1.17 -12 0 0 25.17 1.65 -12 0 0 23.11 2.81 -12 0 0 22.14 1.92 -12 -1 0 19.92 1.46 -12 1 0 18.32 1.08 -12 1 0 17.04 1.66 -12 1 0 17.56 1.78 12 -1 0 15.31 1.00 -12 -1 0 19.60 2.60 -12 -1 0 15.74 0.99 -12 -1 0 16.54 1.80 -12 -2 0 0.92 0.94 -12 2 0 0.33 0.40 -12 -2 0 0.29 0.40 -12 -2 0 0.20 0.85 -12 2 0 0.15 0.75 12 -2 0 0.18 0.37 -12 -2 0 0.13 0.38 -12 -3 0 59.81 2.92 -12 3 0 57.33 4.16 -12 -3 0 62.66 4.03 -12 -3 0 59.89 2.69 -12 3 0 62.11 2.96 12 -3 0 55.29 2.51 -12 -3 0 58.78 4.58 -12 4 0 29.19 2.86 -12 4 0 27.54 1.71 12 -4 0 24.90 1.41 -12 -4 0 30.27 3.24 -12 -4 0 26.41 2.61 -12 -4 0 26.99 1.83 -12 -4 0 29.10 1.40 -12 5 0 1.81 1.55 -12 -5 0 1.96 0.85 -12 -5 0 2.02 1.79 12 -5 0 2.13 0.68 -12 -5 0 1.89 0.69 -12 -5 0 1.37 1.43 -12 5 0 2.16 0.72 -12 -6 0 9.86 1.66 -12 -6 0 11.16 1.14 -12 6 0 8.96 2.01 -12 -6 0 9.17 0.83 12 -6 0 7.67 0.95 -12 -6 0 8.93 2.08 -12 6 0 9.34 1.04 -12 7 0 3.27 0.75 -12 -7 0 2.64 0.87 -12 -7 0 2.81 2.02 -12 7 0 2.36 1.67 -12 -7 0 1.86 0.99 -12 -7 0 1.64 1.76 12 -7 0 2.50 0.53 12 -8 0 10.11 1.27 -12 -8 0 17.26 2.73 -12 -8 0 11.66 1.33 -12 -8 0 12.24 1.43 -12 8 0 9.08 1.13 -12 -8 0 9.98 2.38 12 -9 0 85.97 4.23 -12 9 0 85.07 3.85 -12 -9 0 83.68 4.10 -12 -9 0 80.66 4.73 -12 -9 0 83.06 6.29 -12 -9 0 86.50 4.37 -12 -10 0 6.25 1.31 -12 -10 0 5.97 2.54 -12 -10 0 7.98 1.30 -12 -10 0 7.62 2.15 12 -10 0 6.85 1.35 -12 10 0 7.27 0.98 12 -11 0 25.98 2.22 -12 11 0 26.73 1.71 -12 -11 0 24.41 3.43 -12 -11 0 27.61 3.83 -12 -11 0 20.08 1.99 -12 -11 0 25.57 1.56 -12 -12 0 1.17 1.06 -12 -12 0 2.04 1.14 -12 -12 0 0.44 2.32 12 -12 0 1.34 1.19 -12 -12 0 1.46 0.63 -12 12 0 1.41 0.74 -12 -13 0 10.97 1.83 12 -13 0 11.56 1.84 -12 -13 0 9.51 1.49 -12 13 0 12.76 1.18 -12 -13 0 11.23 1.09 -12 -13 0 9.12 3.37 -12 -14 0 2.55 1.09 -12 14 0 1.29 0.45 -12 -14 0 0.79 1.61 -12 -14 0 3.28 2.13 -12 -14 0 1.82 0.97 12 -14 0 1.75 0.79 -12 -15 0 29.60 2.28 -12 -15 0 31.33 4.13 -12 -15 0 33.18 4.99 -12 -15 0 35.07 2.52 12 -15 0 34.00 2.82 -12 15 0 33.71 2.05 -12 16 0 21.17 1.49 12 -16 0 20.46 2.39 -12 -16 0 19.35 1.77 -12 -16 0 18.53 1.89 -12 -16 0 11.29 4.71 -12 -16 0 22.69 3.69 -12 -17 0 18.96 1.94 -12 -17 0 17.86 1.66 -12 17 0 15.81 1.40 12 -17 0 17.57 2.24 -12 -18 0 42.55 2.83 -12 -18 0 40.35 2.59 12 -18 0 42.00 3.25 -12 -19 0 0.36 0.74 -12 -19 0 0.08 0.48 12 -19 0 -0.27 0.97 -12 -20 0 3.48 0.96 12 -20 0 3.58 1.28 -12 -20 0 0.48 0.63 -12 -21 0 6.10 1.11 12 -21 0 5.55 1.48 -12 -22 0 -0.27 0.53 12 -22 0 0.13 0.45 -12 -23 0 -0.04 0.45 -12 23 0 -0.32 1.01 -12 -24 0 -0.38 0.46 -12 24 0 2.89 0.94 -13 0 0 0.31 0.42 -13 0 0 0.52 0.91 -13 0 0 -0.37 0.89 -13 -1 0 1.65 1.64 -13 -1 0 1.84 0.88 -13 -1 0 1.48 1.13 -13 1 0 2.60 1.64 -13 -1 0 1.12 0.52 -13 1 0 2.03 0.86 -13 -2 0 9.66 0.86 -13 2 0 12.90 2.25 -13 -2 0 10.67 1.80 -13 -2 0 8.30 1.20 13 -2 0 8.29 0.83 -13 2 0 8.88 1.20 -13 -2 0 12.27 2.36 13 -3 0 5.66 0.73 -13 -3 0 6.38 1.10 -13 3 0 6.53 1.02 -13 -3 0 5.77 2.25 -13 -3 0 4.61 1.63 -13 3 0 7.99 1.99 -13 -3 0 5.91 0.78 -13 4 0 1.12 0.78 -13 -4 0 1.41 0.88 13 -4 0 1.15 0.54 -13 -4 0 0.79 0.43 -13 -4 0 0.54 1.68 -13 -4 0 0.99 0.85 -13 4 0 1.71 1.52 -13 -5 0 12.96 2.58 -13 5 0 11.23 0.88 -13 -5 0 10.18 1.43 13 -5 0 9.02 0.98 -13 -5 0 11.80 2.26 -13 -5 0 12.15 1.16 -13 5 0 12.14 1.62 -13 6 0 54.32 2.82 -13 -6 0 52.35 4.15 -13 -6 0 50.74 3.67 13 -6 0 52.38 2.68 -13 -6 0 54.59 2.61 -13 -6 0 49.90 2.79 -13 6 0 53.96 4.24 -13 -7 0 28.39 1.98 -13 -7 0 21.04 2.04 -13 7 0 27.45 2.26 -13 -7 0 25.06 3.67 -13 -7 0 28.05 3.16 -13 7 0 30.11 1.84 13 -7 0 25.45 1.79 -13 -8 0 18.63 3.41 -13 -8 0 17.67 1.81 -13 -8 0 16.82 1.63 13 -8 0 17.37 1.22 -13 -8 0 16.84 2.80 -13 8 0 20.18 1.53 -13 -9 0 44.27 4.21 13 -9 0 48.53 2.88 -13 -9 0 48.39 2.83 -13 9 0 50.76 2.63 -13 -9 0 45.35 5.00 -13 -9 0 49.98 3.11 -13 -10 0 39.12 2.56 -13 -10 0 34.56 2.01 -13 -10 0 34.47 3.38 13 -10 0 33.37 2.45 -13 10 0 36.23 2.14 -13 -10 0 35.64 3.90 -13 -11 0 8.80 3.27 -13 -11 0 9.74 1.52 -13 -11 0 8.43 2.68 13 -11 0 11.13 1.54 -13 -11 0 9.78 1.45 -13 11 0 9.41 0.81 -13 -12 0 4.92 3.13 -13 -12 0 7.13 1.38 -13 -12 0 6.64 2.48 -13 12 0 6.09 0.97 -13 -12 0 6.45 0.89 13 -12 0 7.16 1.46 -13 -13 0 1.22 2.59 -13 -13 0 1.19 0.98 -13 -13 0 1.28 0.66 13 -13 0 1.16 1.15 -13 -13 0 -0.18 1.88 -13 13 0 1.02 0.74 -13 -14 0 23.81 4.91 -13 -14 0 27.51 3.87 13 -14 0 27.69 2.39 -13 -14 0 26.51 2.26 -13 14 0 24.63 1.72 -13 -14 0 25.37 2.07 -13 -15 0 0.13 0.79 -13 -15 0 0.08 0.85 -13 15 0 0.31 0.57 13 -15 0 -0.15 0.98 13 -16 0 13.02 1.92 -13 -16 0 16.25 1.89 -13 16 0 13.50 1.25 -13 -16 0 14.90 1.54 13 -17 0 6.10 1.51 -13 17 0 3.81 0.92 -13 -17 0 5.58 0.74 -13 -17 0 7.45 1.43 -13 -18 0 63.61 3.73 13 -18 0 66.37 3.29 -13 -18 0 62.09 3.28 -13 -19 0 0.25 0.61 -13 -19 0 3.15 0.65 13 -19 0 2.82 1.20 -13 -20 0 11.35 1.43 13 -20 0 11.45 1.60 -13 -21 0 2.03 0.87 13 -21 0 1.94 1.09 -13 22 0 1.83 0.81 -13 -22 0 1.47 0.78 -13 -23 0 1.09 0.61 -13 23 0 2.49 1.13 -14 0 0 1.23 1.00 -14 0 0 1.45 1.80 -14 -1 0 36.82 2.50 -14 -1 0 37.56 3.76 -14 1 0 38.66 3.68 -14 1 0 35.64 2.35 -14 2 0 14.20 1.49 -14 2 0 12.64 2.52 -14 -2 0 12.57 2.78 -14 -2 0 11.99 1.61 -14 -2 0 12.40 2.17 -14 -2 0 10.17 1.00 -14 -3 0 216.64 9.66 -14 -3 0 211.65 12.11 -14 3 0 207.53 11.52 14 -3 0 192.56 8.11 -14 3 0 207.97 9.07 -14 -3 0 197.77 10.77 -14 -3 0 213.79 8.97 14 -4 0 68.57 3.28 -14 4 0 69.80 4.51 -14 4 0 71.50 3.18 -14 -4 0 71.65 4.78 -14 -4 0 71.13 5.04 -14 -4 0 73.56 3.53 -14 -4 0 73.04 3.38 -14 -5 0 46.62 4.77 -14 -5 0 50.69 2.79 -14 -5 0 45.91 4.05 -14 5 0 48.87 4.34 14 -5 0 41.19 2.25 -14 5 0 45.38 2.72 -14 -5 0 49.36 3.09 -14 -6 0 3.06 1.77 -14 -6 0 1.75 0.69 -14 6 0 1.20 1.74 -14 -6 0 1.36 0.82 -14 6 0 1.56 0.89 -14 -6 0 0.96 2.18 14 -6 0 1.31 0.73 14 -7 0 1.10 0.82 -14 -7 0 0.23 1.12 -14 -7 0 0.77 1.08 -14 7 0 1.21 0.83 -14 -7 0 1.25 0.54 -14 -7 0 1.58 2.17 14 -8 0 72.88 3.79 -14 8 0 72.36 3.63 -14 -8 0 73.83 5.70 -14 -8 0 72.75 3.74 -14 -8 0 69.72 6.40 -14 -8 0 78.75 4.23 -14 -9 0 0.87 0.98 -14 -9 0 1.30 2.20 14 -9 0 0.52 0.86 -14 -9 0 1.01 0.59 -14 -9 0 1.20 1.22 -14 9 0 0.81 0.75 -14 -10 0 0.11 2.33 -14 -10 0 0.73 1.04 -14 -10 0 1.28 0.90 -14 -10 0 -0.80 1.86 14 -10 0 0.68 0.90 -14 -11 0 1.38 2.63 -14 -11 0 2.87 1.21 14 -11 0 1.80 1.13 -14 11 0 3.22 0.86 -14 -11 0 2.22 2.32 -14 -11 0 2.32 1.18 -14 12 0 16.75 1.41 -14 -12 0 17.92 1.92 -14 -12 0 8.82 3.51 -14 -12 0 16.16 1.77 14 -12 0 16.72 1.79 -14 -12 0 11.38 4.14 14 -13 0 36.11 2.64 -14 13 0 38.01 2.23 -14 -13 0 35.36 2.62 -14 -13 0 40.32 2.74 -14 -14 0 9.27 1.56 -14 14 0 11.47 1.12 -14 -14 0 9.07 1.51 14 -14 0 8.13 1.02 -14 -15 0 6.32 1.38 -14 15 0 6.77 1.00 -14 -15 0 5.60 1.27 14 -15 0 7.25 1.34 -14 -16 0 2.41 1.09 -14 16 0 1.63 0.75 -14 -16 0 1.58 0.89 14 -16 0 0.95 1.11 -14 -17 0 3.16 0.70 -14 -17 0 2.18 0.88 14 -17 0 2.66 1.19 -14 -18 0 -0.26 0.58 14 -18 0 1.95 0.99 -14 -18 0 2.48 0.91 14 -19 0 0.93 0.81 -14 -19 0 1.01 0.77 -14 -19 0 -0.27 0.52 -14 -20 0 3.56 0.92 14 -20 0 1.10 1.02 -14 -21 0 -0.11 0.63 14 -21 0 -0.55 0.41 -14 -22 0 0.24 0.58 -14 22 0 0.90 0.89 -15 0 0 0.70 0.83 -15 0 0 -0.60 1.77 -15 -1 0 23.10 1.98 -15 1 0 21.86 3.24 -15 -1 0 23.15 3.49 -15 1 0 20.63 1.88 -15 -2 0 22.66 3.41 -15 2 0 19.04 3.08 -15 2 0 19.14 1.81 -15 -2 0 20.21 1.97 -15 -2 0 18.93 1.35 -15 -3 0 76.11 3.50 -15 -3 0 76.00 6.32 -15 3 0 80.26 4.02 -15 3 0 72.22 5.73 -15 -3 0 79.21 4.24 -15 -4 0 47.42 3.08 -15 -4 0 43.63 2.43 -15 -4 0 42.70 4.55 -15 -4 0 46.54 5.01 -15 4 0 45.62 4.62 -15 4 0 45.07 2.75 -15 -5 0 11.07 2.86 -15 5 0 15.75 2.99 -15 5 0 13.86 1.49 -15 -5 0 13.98 3.52 -15 -5 0 14.74 1.34 15 -5 0 12.59 1.24 -15 -5 0 15.57 1.80 -15 6 0 34.30 2.30 -15 -6 0 35.05 2.62 -15 -6 0 33.12 4.54 15 -6 0 32.30 2.06 -15 -6 0 36.26 4.13 -15 -6 0 31.77 2.14 -15 -7 0 3.95 2.42 -15 -7 0 5.65 1.16 15 -7 0 3.90 0.92 -15 -7 0 2.58 2.98 -15 7 0 5.08 1.06 -15 -7 0 5.54 1.40 -15 -8 0 19.19 3.60 15 -8 0 19.64 1.68 -15 -8 0 23.35 4.30 -15 8 0 22.43 1.75 -15 -8 0 24.88 2.20 -15 -8 0 21.75 1.87 -15 -9 0 1.80 2.72 -15 9 0 1.73 0.86 -15 -9 0 1.19 1.12 -15 -9 0 0.52 2.22 15 -9 0 1.33 0.87 -15 -9 0 1.46 0.98 -15 -10 0 22.42 2.14 15 -10 0 22.93 1.91 -15 10 0 23.20 1.72 -15 -10 0 13.74 3.84 -15 -10 0 17.63 4.81 -15 -10 0 23.50 1.55 -15 11 0 4.49 0.66 -15 -11 0 4.85 1.24 -15 -11 0 4.37 1.31 15 -11 0 4.70 1.17 15 -12 0 10.22 1.47 -15 -12 0 10.89 1.58 -15 12 0 11.09 1.27 -15 -12 0 11.25 1.53 -15 -13 0 2.94 1.13 -15 13 0 3.21 0.85 15 -13 0 2.97 1.10 -15 -13 0 3.11 0.72 15 -14 0 3.02 1.07 -15 -14 0 3.34 1.11 -15 -14 0 3.18 0.72 -15 14 0 3.08 0.85 -15 -15 0 0.50 0.77 15 -15 0 0.50 0.83 -15 15 0 0.43 0.57 -15 -15 0 0.60 0.89 15 -16 0 0.10 0.75 -15 -16 0 0.65 0.63 -15 -16 0 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