data_mo_molan508e_100k_0m_a_sq _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' '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' 'Fe' 'Fe' 0.3463 0.8444 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.0356(4) _cell_length_b 16.0219(6) _cell_length_c 17.4226(6) _cell_angle_alpha 90 _cell_angle_beta 101.6510(10) _cell_angle_gamma 90 _cell_volume 3563.8(2) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9482 _cell_measurement_theta_min 3.00 _cell_measurement_theta_max 27.15 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.332 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.471 _shelx_estimated_absorpt_T_min 0.759 _shelx_estimated_absorpt_T_max 0.963 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6779 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 48571 _diffrn_reflns_av_unetI/netI 0.0225 _diffrn_reflns_av_R_equivalents 0.0368 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 3.002 _diffrn_reflns_theta_max 27.161 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 7892 _reflns_number_gt 6242 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0260P)^2^+4.6236P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 7892 _refine_ls_number_parameters 537 _refine_ls_number_restraints 136 _refine_ls_R_factor_all 0.0551 _refine_ls_R_factor_gt 0.0374 _refine_ls_wR_factor_ref 0.0933 _refine_ls_wR_factor_gt 0.0806 _refine_ls_goodness_of_fit_ref 1.062 _refine_ls_restrained_S_all 1.058 _refine_ls_shift/su_max 0.177 _refine_ls_shift/su_mean 0.002 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 Fe1 Fe 0.66292(2) 0.27544(2) 0.44917(2) 0.01450(7) Uani 1 1 d . . . . . O1 O 1.22876(10) 0.25402(10) 0.24744(8) 0.0263(3) Uani 1 1 d . . . . . O2 O 0.09843(10) 0.25184(9) 0.65551(8) 0.0249(3) Uani 1 1 d . . . . . N1 N 0.71195(11) 0.33536(9) 0.37338(9) 0.0150(3) Uani 1 1 d . . . . . N2 N 0.79478(11) 0.31801(9) 0.34253(9) 0.0151(3) Uani 1 1 d . . . . . N3 N 0.86233(11) 0.20789(10) 0.43508(9) 0.0151(3) Uani 1 1 d . . . . . N4 N 0.77564(12) 0.20465(9) 0.46371(8) 0.0147(3) Uani 1 1 d . . . . . N5 N 0.55283(11) 0.20422(9) 0.44004(8) 0.0139(3) Uani 1 1 d . . . . . N6 N 0.46771(11) 0.20673(10) 0.47072(8) 0.0142(3) Uani 1 1 d . . . . . N7 N 0.52590(11) 0.32947(9) 0.54918(9) 0.0149(3) Uani 1 1 d . . . . . N8 N 0.60799(11) 0.34167(9) 0.51592(9) 0.0151(3) Uani 1 1 d D . . . . C1 C 0.65053(14) 0.40155(11) 0.33017(11) 0.0158(4) Uani 1 1 d . . . . . C2 C 0.54593(15) 0.41190(13) 0.33520(12) 0.0210(4) Uani 1 1 d . . . . . H2 H 0.514551 0.374281 0.365776 0.025 Uiso 1 1 calc R U . . . C3 C 0.48715(15) 0.47713(13) 0.29563(12) 0.0246(4) Uani 1 1 d . . . . . H3 H 0.416122 0.484040 0.299876 0.029 Uiso 1 1 calc R U . . . C4 C 0.53144(16) 0.53197(12) 0.25017(12) 0.0241(4) Uani 1 1 d . . . . . H4 H 0.491512 0.576809 0.223719 0.029 Uiso 1 1 calc R U . . . C5 C 0.63475(16) 0.52062(12) 0.24376(12) 0.0241(4) Uani 1 1 d . . . . . H5 H 0.665100 0.557271 0.211707 0.029 Uiso 1 1 calc R U . . . C6 C 0.69445(15) 0.45645(12) 0.28350(12) 0.0202(4) Uani 1 1 d . . . . . H6 H 0.765406 0.449836 0.278960 0.024 Uiso 1 1 calc R U . . . C7 C 0.86489(13) 0.26158(11) 0.37611(10) 0.0140(3) Uani 1 1 d . . . . . C8 C 0.96146(13) 0.25696(11) 0.34342(10) 0.0133(3) Uani 1 1 d . . . . . C9 C 0.95892(14) 0.27634(11) 0.26479(10) 0.0151(3) Uani 1 1 d . . . . . H9 H 0.894461 0.291664 0.231732 0.018 Uiso 1 1 calc R U . . . C10 C 1.04878(14) 0.27346(11) 0.23475(10) 0.0154(3) Uani 1 1 d . . . . . H10 H 1.045706 0.286004 0.181039 0.018 Uiso 1 1 calc R U . . . C11 C 1.14437(14) 0.25221(11) 0.28282(11) 0.0160(4) Uani 1 1 d . . . . . C12 C 1.14887(14) 0.23194(12) 0.36124(10) 0.0167(4) Uani 1 1 d . . . . . H12 H 1.213490 0.216783 0.394175 0.020 Uiso 1 1 calc R U . . . C13 C 1.05742(14) 0.23428(11) 0.39041(10) 0.0165(4) Uani 1 1 d . . . . . H13 H 1.060100 0.220079 0.443724 0.020 Uiso 1 1 calc R U . . . C14 C 1.32881(16) 0.2351(2) 0.29504(15) 0.0434(7) Uani 1 1 d . . . . . H14A H 1.382760 0.239198 0.263356 0.065 Uiso 1 1 calc R U . . . H14B H 1.327905 0.178252 0.315732 0.065 Uiso 1 1 calc R U . . . H14C H 1.344351 0.274748 0.338646 0.065 Uiso 1 1 calc R U . . . C15 C 0.77932(14) 0.13552(11) 0.51730(10) 0.0152(3) Uani 1 1 d . . . . . C16 C 0.82497(15) 0.05983(12) 0.50276(11) 0.0206(4) Uani 1 1 d . . . . . H16 H 0.854153 0.053470 0.457357 0.025 Uiso 1 1 calc R U . . . C17 C 0.82758(16) -0.00585(12) 0.55464(12) 0.0237(4) Uani 1 1 d . . . . . H17 H 0.859327 -0.057119 0.544991 0.028 Uiso 1 1 calc R U . . . C18 C 0.78403(16) 0.00264(12) 0.62087(11) 0.0218(4) Uani 1 1 d . . . . . H18 H 0.785094 -0.042924 0.655919 0.026 Uiso 1 1 calc R U . . . C19 C 0.73915(15) 0.07782(13) 0.63545(11) 0.0203(4) Uani 1 1 d . . . . . H19 H 0.710044 0.083949 0.680915 0.024 Uiso 1 1 calc R U . . . C20 C 0.73648(14) 0.14432(12) 0.58394(11) 0.0173(4) Uani 1 1 d . . . . . H20 H 0.705474 0.195743 0.594122 0.021 Uiso 1 1 calc R U . . . C21 C 0.55100(13) 0.13304(11) 0.38932(10) 0.0132(3) Uani 1 1 d . . . . . C22 C 0.51747(15) 0.05630(12) 0.41157(11) 0.0202(4) Uani 1 1 d . . . . . H22 H 0.492633 0.051199 0.459001 0.024 Uiso 1 1 calc R U . . . C23 C 0.52032(15) -0.01310(12) 0.36429(12) 0.0218(4) Uani 1 1 d . . . . . H23 H 0.499589 -0.066097 0.380312 0.026 Uiso 1 1 calc R U . . . C24 C 0.55322(15) -0.00534(12) 0.29399(12) 0.0221(4) Uani 1 1 d . . . . . H24 H 0.554570 -0.052794 0.261517 0.027 Uiso 1 1 calc R U . . . C25 C 0.58429(15) 0.07212(12) 0.27101(12) 0.0223(4) Uani 1 1 d . . . . . H25 H 0.605577 0.077620 0.222224 0.027 Uiso 1 1 calc R U . . . C26 C 0.58450(14) 0.14155(12) 0.31871(11) 0.0173(4) Uani 1 1 d . . . . . H26 H 0.607217 0.194204 0.303386 0.021 Uiso 1 1 calc R U . . . C27 C 0.46009(13) 0.26612(11) 0.52377(10) 0.0132(3) Uani 1 1 d . . . . . C28 C 0.36606(13) 0.25992(11) 0.55924(10) 0.0140(3) Uani 1 1 d . . . . . C29 C 0.33329(15) 0.32798(12) 0.59825(11) 0.0204(4) Uani 1 1 d . . . . . H29 H 0.372761 0.378232 0.603366 0.024 Uiso 1 1 calc R U . . . C30 C 0.24422(15) 0.32305(13) 0.62946(12) 0.0231(4) Uani 1 1 d . . . . . H30 H 0.222533 0.370153 0.655241 0.028 Uiso 1 1 calc R U . . . C31 C 0.18585(14) 0.24974(12) 0.62352(11) 0.0173(4) Uani 1 1 d . . . . . C32 C 0.21937(14) 0.18045(12) 0.58741(10) 0.0171(4) Uani 1 1 d . . . . . H32 H 0.181672 0.129434 0.584771 0.021 Uiso 1 1 calc R U . . . C33 C 0.30828(14) 0.18614(12) 0.55518(10) 0.0161(4) Uani 1 1 d . . . . . H33 H 0.330219 0.138818 0.529846 0.019 Uiso 1 1 calc R U . . . C34 C 0.02539(15) 0.18455(14) 0.63650(12) 0.0247(4) Uani 1 1 d . . . . . H34A H 0.007176 0.177612 0.579478 0.037 Uiso 1 1 calc R U . . . H34B H -0.038050 0.197047 0.656426 0.037 Uiso 1 1 calc R U . . . H34C H 0.057053 0.132933 0.660588 0.037 Uiso 1 1 calc R U . . . C35 C 0.6734(10) 0.4091(8) 0.5566(9) 0.015(5) Uani 0.247(3) 1 d DG U P A 1 C36 C 0.6624(9) 0.4902(9) 0.5277(7) 0.028(6) Uani 0.247(3) 1 d G . P A 1 H36 H 0.612739 0.502088 0.481078 0.033 Uiso 0.247(3) 1 calc R U P A 1 C37 C 0.7242(10) 0.5538(6) 0.5668(8) 0.020(4) Uani 0.247(3) 1 d G . P A 1 H37 H 0.716762 0.609208 0.547037 0.024 Uiso 0.247(3) 1 calc R U P A 1 C38 C 0.7970(10) 0.5364(7) 0.6350(8) 0.022(4) Uani 0.247(3) 1 d G U P A 1 H38 H 0.839195 0.579901 0.661781 0.026 Uiso 0.247(3) 1 calc R U P A 1 C39 C 0.8079(11) 0.4554(9) 0.6640(8) 0.030(6) Uani 0.247(3) 1 d G . P A 1 H39 H 0.857605 0.443473 0.710568 0.036 Uiso 0.247(3) 1 calc R U P A 1 C40 C 0.7461(11) 0.3917(6) 0.6248(9) 0.026(6) Uani 0.247(3) 1 d G . P A 1 H40 H 0.753582 0.336351 0.644611 0.032 Uiso 0.247(3) 1 calc R U P A 1 C35' C 0.6742(9) 0.4101(5) 0.5571(6) 0.014(3) Uani 0.326(3) 1 d DG U P A 2 C36' C 0.6913(8) 0.4838(5) 0.5196(5) 0.024(3) Uani 0.326(3) 1 d G . P A 2 H36' H 0.658047 0.492685 0.466448 0.029 Uiso 0.326(3) 1 calc R U P A 2 C37' C 0.7571(7) 0.5446(4) 0.5598(6) 0.025(3) Uani 0.326(3) 1 d G . P A 2 H37' H 0.768733 0.595049 0.534151 0.030 Uiso 0.326(3) 1 calc R U P A 2 C38' C 0.8057(8) 0.5317(5) 0.6375(6) 0.026(3) Uani 0.326(3) 1 d G . P A 2 H38' H 0.850663 0.573231 0.664985 0.031 Uiso 0.326(3) 1 calc R U P A 2 C39' C 0.7886(8) 0.4579(6) 0.6750(5) 0.0182(19) Uani 0.326(3) 1 d G . P A 2 H39' H 0.821908 0.449048 0.728118 0.022 Uiso 0.326(3) 1 calc R U P A 2 C40' C 0.7229(9) 0.3971(5) 0.6348(6) 0.0153(19) Uani 0.326(3) 1 d G . P A 2 H40' H 0.711222 0.346684 0.660417 0.018 Uiso 0.326(3) 1 calc R U P A 2 C35" C 0.6703(5) 0.4073(4) 0.5508(3) 0.018(2) Uani 0.427(3) 1 d DG U P A 3 C36" C 0.6325(4) 0.4885(4) 0.5407(3) 0.0241(16) Uani 0.427(3) 1 d G . P A 3 H36" H 0.565399 0.499012 0.509105 0.029 Uiso 0.427(3) 1 calc R U P A 3 C37" C 0.6929(5) 0.5544(3) 0.5770(4) 0.0259(19) Uani 0.427(3) 1 d G . P A 3 H37" H 0.667075 0.609923 0.570125 0.031 Uiso 0.427(3) 1 calc R U P A 3 C38" C 0.7911(5) 0.5391(3) 0.6233(4) 0.0285(19) Uani 0.427(3) 1 d G . P A 3 H38" H 0.832379 0.584097 0.648032 0.034 Uiso 0.427(3) 1 calc R U P A 3 C39" C 0.8289(4) 0.4578(4) 0.6333(3) 0.0367(19) Uani 0.427(3) 1 d G . P A 3 H39" H 0.896009 0.447360 0.664919 0.044 Uiso 0.427(3) 1 calc R U P A 3 C40" C 0.7685(5) 0.3920(3) 0.5970(3) 0.0272(16) Uani 0.427(3) 1 d G . P A 3 H40" H 0.794334 0.336448 0.603900 0.033 Uiso 0.427(3) 1 calc R U P A 3 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 Fe1 0.01178(12) 0.01754(14) 0.01537(13) -0.00119(10) 0.00556(9) -0.00072(10) O1 0.0119(6) 0.0439(9) 0.0245(7) 0.0147(6) 0.0072(6) 0.0040(6) O2 0.0157(7) 0.0320(8) 0.0303(8) -0.0091(6) 0.0129(6) -0.0034(6) N1 0.0118(7) 0.0134(7) 0.0202(8) -0.0027(6) 0.0041(6) -0.0020(6) N2 0.0127(7) 0.0156(7) 0.0176(7) -0.0018(6) 0.0047(6) -0.0007(6) N3 0.0134(7) 0.0179(8) 0.0148(7) -0.0012(6) 0.0045(6) -0.0007(6) N4 0.0145(7) 0.0178(8) 0.0121(7) -0.0012(6) 0.0032(6) -0.0014(6) N5 0.0139(7) 0.0156(8) 0.0132(7) 0.0012(6) 0.0050(6) 0.0013(6) N6 0.0124(7) 0.0192(8) 0.0120(7) 0.0003(6) 0.0043(6) 0.0000(6) N7 0.0136(7) 0.0162(7) 0.0157(7) 0.0006(6) 0.0051(6) 0.0004(6) N8 0.0125(7) 0.0166(8) 0.0164(7) 0.0010(6) 0.0039(6) 0.0002(6) C1 0.0148(8) 0.0125(8) 0.0190(9) -0.0033(7) 0.0009(7) 0.0001(7) C2 0.0158(9) 0.0221(10) 0.0253(10) -0.0006(8) 0.0043(8) -0.0002(7) C3 0.0153(9) 0.0270(11) 0.0306(11) -0.0045(9) 0.0030(8) 0.0039(8) C4 0.0218(10) 0.0152(9) 0.0327(11) -0.0016(8) -0.0010(8) 0.0045(8) C5 0.0242(10) 0.0162(9) 0.0307(11) 0.0035(8) 0.0024(8) -0.0032(8) C6 0.0154(9) 0.0171(9) 0.0280(10) -0.0003(8) 0.0044(8) -0.0013(7) C7 0.0139(8) 0.0152(9) 0.0121(8) -0.0025(7) 0.0009(6) -0.0013(7) C8 0.0137(8) 0.0106(8) 0.0160(8) -0.0017(6) 0.0038(7) -0.0008(6) C9 0.0138(8) 0.0148(8) 0.0159(8) 0.0003(7) 0.0010(7) 0.0007(7) C10 0.0177(9) 0.0156(9) 0.0127(8) 0.0021(7) 0.0024(7) 0.0004(7) C11 0.0128(8) 0.0162(9) 0.0200(9) 0.0023(7) 0.0057(7) -0.0027(7) C12 0.0131(8) 0.0187(9) 0.0167(9) 0.0049(7) -0.0007(7) -0.0003(7) C13 0.0171(9) 0.0191(9) 0.0133(8) 0.0026(7) 0.0032(7) 0.0003(7) C14 0.0116(10) 0.079(2) 0.0408(13) 0.0289(14) 0.0081(9) 0.0042(11) C15 0.0141(8) 0.0162(9) 0.0144(8) 0.0004(7) 0.0008(7) -0.0025(7) C16 0.0248(10) 0.0197(10) 0.0187(9) -0.0025(7) 0.0079(8) -0.0015(8) C17 0.0295(11) 0.0155(9) 0.0261(10) -0.0013(8) 0.0057(8) 0.0006(8) C18 0.0264(10) 0.0174(9) 0.0208(9) 0.0048(8) 0.0033(8) -0.0031(8) C19 0.0188(9) 0.0259(10) 0.0169(9) 0.0018(8) 0.0054(7) -0.0024(8) C20 0.0159(9) 0.0192(9) 0.0170(9) -0.0003(7) 0.0040(7) 0.0009(7) C21 0.0105(8) 0.0148(8) 0.0141(8) -0.0005(7) 0.0017(6) 0.0011(6) C22 0.0251(10) 0.0185(9) 0.0186(9) 0.0025(7) 0.0080(8) -0.0006(8) C23 0.0237(10) 0.0141(9) 0.0277(10) 0.0022(8) 0.0056(8) -0.0011(7) C24 0.0205(9) 0.0166(9) 0.0315(11) -0.0084(8) 0.0105(8) -0.0017(7) C25 0.0229(10) 0.0233(10) 0.0249(10) -0.0066(8) 0.0147(8) -0.0033(8) C26 0.0167(9) 0.0163(9) 0.0208(9) -0.0007(7) 0.0086(7) -0.0020(7) C27 0.0122(8) 0.0167(9) 0.0103(8) 0.0026(7) 0.0014(6) 0.0016(7) C28 0.0133(8) 0.0177(9) 0.0109(8) 0.0004(7) 0.0021(6) 0.0006(7) C29 0.0179(9) 0.0205(10) 0.0245(10) -0.0040(8) 0.0082(8) -0.0022(7) C30 0.0194(9) 0.0221(10) 0.0304(11) -0.0081(8) 0.0113(8) 0.0005(8) C31 0.0122(8) 0.0248(10) 0.0159(8) -0.0024(7) 0.0049(7) -0.0014(7) C32 0.0153(8) 0.0204(9) 0.0160(9) -0.0009(7) 0.0038(7) -0.0038(7) C33 0.0162(8) 0.0170(9) 0.0154(8) -0.0013(7) 0.0040(7) 0.0011(7) C34 0.0143(9) 0.0365(12) 0.0242(10) -0.0022(9) 0.0062(8) -0.0064(8) C35 0.012(6) 0.014(5) 0.020(6) -0.003(4) 0.004(4) 0.000(4) C36 0.043(11) 0.019(5) 0.018(6) 0.000(4) -0.003(7) 0.005(5) C37 0.027(9) 0.015(5) 0.019(5) -0.005(3) 0.007(6) 0.010(4) C38 0.024(6) 0.020(5) 0.022(5) -0.003(4) 0.006(4) 0.000(4) C39 0.022(8) 0.023(5) 0.039(9) 0.004(5) -0.010(7) -0.003(4) C40 0.018(9) 0.018(5) 0.038(8) 0.009(6) -0.006(7) -0.004(5) C35' 0.014(5) 0.009(4) 0.018(4) -0.006(3) 0.004(3) -0.006(3) C36' 0.031(5) 0.020(3) 0.019(4) 0.004(3) -0.005(4) -0.006(3) C37' 0.033(6) 0.012(3) 0.027(4) 0.001(3) -0.001(4) -0.004(3) C38' 0.020(5) 0.028(5) 0.026(4) -0.002(4) -0.002(3) -0.010(4) C39' 0.015(4) 0.025(3) 0.017(3) -0.007(2) 0.008(3) -0.002(3) C40' 0.011(4) 0.018(3) 0.020(3) -0.001(2) 0.009(3) 0.000(2) C35" 0.018(3) 0.024(3) 0.015(3) 0.002(2) 0.010(2) 0.002(2) C36" 0.026(3) 0.024(2) 0.022(3) -0.002(2) 0.007(2) 0.002(2) C37" 0.036(4) 0.020(3) 0.025(3) -0.004(2) 0.015(3) -0.001(2) C38" 0.036(4) 0.014(3) 0.036(4) -0.008(3) 0.011(3) -0.014(3) C39" 0.026(3) 0.026(3) 0.051(5) -0.005(3) -0.010(3) -0.007(2) C40" 0.023(3) 0.017(2) 0.039(4) -0.005(2) -0.001(3) -0.005(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 Fe1 N5 1.8151(15) . ? Fe1 N8 1.8240(15) . ? Fe1 N4 1.8329(15) . ? Fe1 N1 1.8480(15) . ? O1 C11 1.366(2) . ? O1 C14 1.430(2) . ? O2 C31 1.366(2) . ? O2 C34 1.432(2) . ? N1 N2 1.329(2) . ? N1 C1 1.445(2) . ? N2 C7 1.334(2) . ? N3 N4 1.325(2) . ? N3 C7 1.346(2) . ? N4 C15 1.443(2) . ? N5 N6 1.326(2) . ? N5 C21 1.440(2) . ? N6 C27 1.344(2) . ? N7 N8 1.330(2) . ? N7 C27 1.345(2) . ? N8 C35" 1.391(5) . ? N8 C35 1.468(8) . ? N8 C35' 1.487(6) . ? C1 C2 1.394(3) . ? C1 C6 1.397(3) . ? C2 C3 1.393(3) . ? C2 H2 0.9500 . ? C3 C4 1.385(3) . ? C3 H3 0.9500 . ? C4 C5 1.386(3) . ? C4 H4 0.9500 . ? C5 C6 1.387(3) . ? C5 H5 0.9500 . ? C6 H6 0.9500 . ? C7 C8 1.485(2) . ? C8 C13 1.398(2) . ? C8 C9 1.398(2) . ? C9 C10 1.377(2) . ? C9 H9 0.9500 . ? C10 C11 1.396(2) . ? C10 H10 0.9500 . ? C11 C12 1.394(2) . ? C12 C13 1.388(2) . ? C12 H12 0.9500 . ? C13 H13 0.9500 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 C20 1.393(2) . ? C15 C16 1.396(3) . ? C16 C17 1.383(3) . ? C16 H16 0.9500 . ? C17 C18 1.392(3) . ? C17 H17 0.9500 . ? C18 C19 1.385(3) . ? C18 H18 0.9500 . ? C19 C20 1.389(3) . ? C19 H19 0.9500 . ? C20 H20 0.9500 . ? C21 C22 1.386(3) . ? C21 C26 1.393(2) . ? C22 C23 1.389(3) . ? C22 H22 0.9500 . ? C23 C24 1.383(3) . ? C23 H23 0.9500 . ? C24 C25 1.389(3) . ? C24 H24 0.9500 . ? C25 C26 1.388(3) . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? C27 C28 1.483(2) . ? C28 C33 1.396(3) . ? C28 C29 1.397(3) . ? C29 C30 1.380(3) . ? C29 H29 0.9500 . ? C30 C31 1.392(3) . ? C30 H30 0.9500 . ? C31 C32 1.389(3) . ? C32 C33 1.389(2) . ? C32 H32 0.9500 . ? C33 H33 0.9500 . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 C36 1.3900 . ? C35 C40 1.3900 . ? C36 C37 1.3900 . ? C36 H36 0.9500 . ? C37 C38 1.3900 . ? C37 H37 0.9500 . ? C38 C39 1.3900 . ? C38 H38 0.9500 . ? C39 C40 1.3900 . ? C39 H39 0.9500 . ? C40 H40 0.9500 . ? C35' C36' 1.3900 . ? C35' C40' 1.3900 . ? C36' C37' 1.3900 . ? C36' H36' 0.9500 . ? C37' C38' 1.3900 . ? C37' H37' 0.9500 . ? C38' C39' 1.3900 . ? C38' H38' 0.9500 . ? C39' C40' 1.3900 . ? C39' H39' 0.9500 . ? C40' H40' 0.9500 . ? C35" C36" 1.3900 . ? C35" C40" 1.3900 . ? C36" C37" 1.3900 . ? C36" H36" 0.9500 . ? C37" C38" 1.3900 . ? C37" H37" 0.9500 . ? C38" C39" 1.3900 . ? C38" H38" 0.9500 . ? C39" C40" 1.3900 . ? C39" H39" 0.9500 . ? C40" H40" 0.9500 . ? 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 N5 Fe1 N8 90.94(7) . . ? N5 Fe1 N4 102.75(7) . . ? N8 Fe1 N4 132.75(7) . . ? N5 Fe1 N1 130.19(7) . . ? N8 Fe1 N1 112.97(7) . . ? N4 Fe1 N1 92.12(7) . . ? C11 O1 C14 117.22(15) . . ? C31 O2 C34 117.22(15) . . ? N2 N1 C1 110.66(14) . . ? N2 N1 Fe1 127.35(12) . . ? C1 N1 Fe1 121.21(12) . . ? N1 N2 C7 120.34(15) . . ? N4 N3 C7 117.84(15) . . ? N3 N4 C15 110.75(14) . . ? N3 N4 Fe1 130.12(12) . . ? C15 N4 Fe1 119.03(11) . . ? N6 N5 C21 111.10(14) . . ? N6 N5 Fe1 131.05(12) . . ? C21 N5 Fe1 117.81(11) . . ? N5 N6 C27 118.87(15) . . ? N8 N7 C27 118.90(15) . . ? N7 N8 C35" 111.8(3) . . ? N7 N8 C35 109.7(6) . . ? N7 N8 C35' 109.8(6) . . ? N7 N8 Fe1 130.25(12) . . ? C35" N8 Fe1 116.6(3) . . ? C35 N8 Fe1 118.2(6) . . ? C35' N8 Fe1 118.1(6) . . ? C2 C1 C6 118.88(17) . . ? C2 C1 N1 120.05(17) . . ? C6 C1 N1 121.08(16) . . ? C3 C2 C1 120.36(18) . . ? C3 C2 H2 119.8 . . ? C1 C2 H2 119.8 . . ? C4 C3 C2 120.51(18) . . ? C4 C3 H3 119.7 . . ? C2 C3 H3 119.7 . . ? C3 C4 C5 119.16(18) . . ? C3 C4 H4 120.4 . . ? C5 C4 H4 120.4 . . ? C4 C5 C6 120.90(19) . . ? C4 C5 H5 119.6 . . ? C6 C5 H5 119.6 . . ? C5 C6 C1 120.18(18) . . ? C5 C6 H6 119.9 . . ? C1 C6 H6 119.9 . . ? N2 C7 N3 130.38(16) . . ? N2 C7 C8 115.11(15) . . ? N3 C7 C8 114.51(15) . . ? C13 C8 C9 118.23(16) . . ? C13 C8 C7 121.07(16) . . ? C9 C8 C7 120.70(15) . . ? C10 C9 C8 120.74(16) . . ? C10 C9 H9 119.6 . . ? C8 C9 H9 119.6 . . ? C9 C10 C11 120.33(16) . . ? C9 C10 H10 119.8 . . ? C11 C10 H10 119.8 . . ? O1 C11 C12 124.68(16) . . ? O1 C11 C10 115.27(16) . . ? C12 C11 C10 120.04(16) . . ? C13 C12 C11 118.91(16) . . ? C13 C12 H12 120.5 . . ? C11 C12 H12 120.5 . . ? C12 C13 C8 121.72(16) . . ? C12 C13 H13 119.1 . . ? C8 C13 H13 119.1 . . ? O1 C14 H14A 109.5 . . ? O1 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O1 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C20 C15 C16 119.75(17) . . ? C20 C15 N4 119.66(16) . . ? C16 C15 N4 120.58(16) . . ? C17 C16 C15 119.82(17) . . ? C17 C16 H16 120.1 . . ? C15 C16 H16 120.1 . . ? C16 C17 C18 120.48(18) . . ? C16 C17 H17 119.8 . . ? C18 C17 H17 119.8 . . ? C19 C18 C17 119.68(18) . . ? C19 C18 H18 120.2 . . ? C17 C18 H18 120.2 . . ? C18 C19 C20 120.34(18) . . ? C18 C19 H19 119.8 . . ? C20 C19 H19 119.8 . . ? C19 C20 C15 119.92(18) . . ? C19 C20 H20 120.0 . . ? C15 C20 H20 120.0 . . ? C22 C21 C26 120.44(17) . . ? C22 C21 N5 119.87(15) . . ? C26 C21 N5 119.68(16) . . ? C21 C22 C23 119.78(17) . . ? C21 C22 H22 120.1 . . ? C23 C22 H22 120.1 . . ? C24 C23 C22 120.24(18) . . ? C24 C23 H23 119.9 . . ? C22 C23 H23 119.9 . . ? C23 C24 C25 119.75(18) . . ? C23 C24 H24 120.1 . . ? C25 C24 H24 120.1 . . ? C26 C25 C24 120.58(18) . . ? C26 C25 H25 119.7 . . ? C24 C25 H25 119.7 . . ? C25 C26 C21 119.16(17) . . ? C25 C26 H26 120.4 . . ? C21 C26 H26 120.4 . . ? N6 C27 N7 129.04(16) . . ? N6 C27 C28 114.91(15) . . ? N7 C27 C28 116.06(15) . . ? C33 C28 C29 118.09(16) . . ? C33 C28 C27 121.23(16) . . ? C29 C28 C27 120.68(16) . . ? C30 C29 C28 120.76(18) . . ? C30 C29 H29 119.6 . . ? C28 C29 H29 119.6 . . ? C29 C30 C31 120.64(18) . . ? C29 C30 H30 119.7 . . ? C31 C30 H30 119.7 . . ? O2 C31 C32 124.67(17) . . ? O2 C31 C30 115.93(17) . . ? C32 C31 C30 119.39(17) . . ? C33 C32 C31 119.67(17) . . ? C33 C32 H32 120.2 . . ? C31 C32 H32 120.2 . . ? C32 C33 C28 121.39(17) . . ? C32 C33 H33 119.3 . . ? C28 C33 H33 119.3 . . ? O2 C34 H34A 109.5 . . ? O2 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O2 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C36 C35 C40 120.0 . . ? C36 C35 N8 120.4(10) . . ? C40 C35 N8 119.6(10) . . ? C35 C36 C37 120.0 . . ? C35 C36 H36 120.0 . . ? C37 C36 H36 120.0 . . ? C36 C37 C38 120.0 . . ? C36 C37 H37 120.0 . . ? C38 C37 H37 120.0 . . ? C39 C38 C37 120.0 . . ? C39 C38 H38 120.0 . . ? C37 C38 H38 120.0 . . ? C38 C39 C40 120.0 . . ? C38 C39 H39 120.0 . . ? C40 C39 H39 120.0 . . ? C39 C40 C35 120.0 . . ? C39 C40 H40 120.0 . . ? C35 C40 H40 120.0 . . ? C36' C35' C40' 120.0 . . ? C36' C35' N8 122.2(6) . . ? C40' C35' N8 117.8(6) . . ? C35' C36' C37' 120.0 . . ? C35' C36' H36' 120.0 . . ? C37' C36' H36' 120.0 . . ? C36' C37' C38' 120.0 . . ? C36' C37' H37' 120.0 . . ? C38' C37' H37' 120.0 . . ? C39' C38' C37' 120.0 . . ? C39' C38' H38' 120.0 . . ? C37' C38' H38' 120.0 . . ? C40' C39' C38' 120.0 . . ? C40' C39' H39' 120.0 . . ? C38' C39' H39' 120.0 . . ? C39' C40' C35' 120.0 . . ? C39' C40' H40' 120.0 . . ? C35' C40' H40' 120.0 . . ? C36" C35" C40" 120.0 . . ? C36" C35" N8 119.5(4) . . ? C40" C35" N8 120.5(4) . . ? C35" C36" C37" 120.0 . . ? C35" C36" H36" 120.0 . . ? C37" C36" H36" 120.0 . . ? C36" C37" C38" 120.0 . . ? C36" C37" H37" 120.0 . . ? C38" C37" H37" 120.0 . . ? C39" C38" C37" 120.0 . . ? C39" C38" H38" 120.0 . . ? C37" C38" H38" 120.0 . . ? C40" C39" C38" 120.0 . . ? C40" C39" H39" 120.0 . . ? C38" C39" H39" 120.0 . . ? C39" C40" C35" 120.0 . . ? C39" C40" H40" 120.0 . . ? C35" C40" H40" 120.0 . . ? _refine_diff_density_max 0.438 _refine_diff_density_min -0.404 _refine_diff_density_rms 0.062 _shelx_res_file ; TITL mo_molan508e_100K_0m_a.res in P2(1)/n mo_molan508e_100k_0m_a_sq.res created by SHELXL-2018/1 at 13:15:55 on 22-Oct-2018 REM Old TITL mo_molan508e_100K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.139, Rweak 0.002, Alpha 0.025, Orientation as input REM Formula found by SHELXT: C43 N9 O Fe CELL 0.71073 13.0356 16.0219 17.4226 90.000 101.651 90.000 ZERR 4.000 0.0004 0.0006 0.0006 0.000 0.001 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C N O FE H UNIT 160 32 8 4 136 LIST 4 TEMP -173.060 SIZE 0.080 0.360 0.620 L.S. 5 0 22 BOND $H acta FMAP 2 PLAN 20 dfix 1.44 0.01 N8 C35 N8 C35' N8 C35" rigu 0.002 C35 > C40 rigu 0.002 C35' > C40' rigu 0.002 C35" > C40" sump 1 0.0001 1 2 1 3 1 4 isor 0.005 C38 c35 C35' C35" PLAN 5 ABIN ACTA WGHT 0.026000 4.623600 FVAR 0.19835 0.24743 0.32596 0.42662 FE1 4 0.662918 0.275440 0.449172 11.00000 0.01178 0.01754 = 0.01537 -0.00119 0.00556 -0.00072 O1 3 1.228760 0.254021 0.247445 11.00000 0.01193 0.04388 = 0.02449 0.01468 0.00716 0.00400 O2 3 0.098426 0.251841 0.655505 11.00000 0.01573 0.03196 = 0.03034 -0.00905 0.01288 -0.00343 N1 2 0.711951 0.335364 0.373377 11.00000 0.01183 0.01342 = 0.02022 -0.00275 0.00410 -0.00195 N2 2 0.794782 0.318013 0.342534 11.00000 0.01273 0.01559 = 0.01764 -0.00185 0.00467 -0.00074 N3 2 0.862330 0.207889 0.435082 11.00000 0.01343 0.01792 = 0.01478 -0.00116 0.00452 -0.00070 N4 2 0.775641 0.204646 0.463713 11.00000 0.01449 0.01782 = 0.01215 -0.00119 0.00320 -0.00139 N5 2 0.552828 0.204221 0.440035 11.00000 0.01387 0.01558 = 0.01317 0.00124 0.00499 0.00128 N6 2 0.467711 0.206731 0.470718 11.00000 0.01237 0.01917 = 0.01197 0.00028 0.00431 -0.00002 N7 2 0.525901 0.329470 0.549177 11.00000 0.01362 0.01616 = 0.01568 0.00061 0.00510 0.00041 N8 2 0.607993 0.341668 0.515915 11.00000 0.01254 0.01658 = 0.01644 0.00098 0.00386 0.00021 C1 1 0.650528 0.401549 0.330171 11.00000 0.01482 0.01247 = 0.01897 -0.00327 0.00089 0.00013 C2 1 0.545934 0.411904 0.335201 11.00000 0.01580 0.02208 = 0.02529 -0.00062 0.00434 -0.00019 AFIX 43 H2 5 0.514551 0.374281 0.365776 11.00000 -1.20000 AFIX 0 C3 1 0.487145 0.477134 0.295633 11.00000 0.01531 0.02703 = 0.03063 -0.00447 0.00295 0.00389 AFIX 43 H3 5 0.416122 0.484040 0.299876 11.00000 -1.20000 AFIX 0 C4 1 0.531442 0.531973 0.250172 11.00000 0.02177 0.01518 = 0.03269 -0.00155 -0.00104 0.00453 AFIX 43 H4 5 0.491512 0.576809 0.223719 11.00000 -1.20000 AFIX 0 C5 1 0.634746 0.520617 0.243757 11.00000 0.02421 0.01625 = 0.03065 0.00347 0.00244 -0.00320 AFIX 43 H5 5 0.665100 0.557271 0.211707 11.00000 -1.20000 AFIX 0 C6 1 0.694454 0.456452 0.283499 11.00000 0.01544 0.01708 = 0.02800 -0.00026 0.00443 -0.00126 AFIX 43 H6 5 0.765406 0.449836 0.278960 11.00000 -1.20000 AFIX 0 C7 1 0.864889 0.261578 0.376114 11.00000 0.01386 0.01525 = 0.01213 -0.00250 0.00085 -0.00126 C8 1 0.961465 0.256962 0.343418 11.00000 0.01369 0.01060 = 0.01603 -0.00173 0.00377 -0.00076 C9 1 0.958917 0.276342 0.264789 11.00000 0.01383 0.01476 = 0.01588 0.00034 0.00097 0.00068 AFIX 43 H9 5 0.894461 0.291664 0.231732 11.00000 -1.20000 AFIX 0 C10 1 1.048777 0.273465 0.234749 11.00000 0.01766 0.01562 = 0.01267 0.00213 0.00243 0.00036 AFIX 43 H10 5 1.045706 0.286004 0.181039 11.00000 -1.20000 AFIX 0 C11 1 1.144369 0.252215 0.282819 11.00000 0.01280 0.01622 = 0.02004 0.00232 0.00567 -0.00271 C12 1 1.148873 0.231944 0.361244 11.00000 0.01313 0.01868 = 0.01673 0.00486 -0.00068 -0.00026 AFIX 43 H12 5 1.213490 0.216783 0.394175 11.00000 -1.20000 AFIX 0 C13 1 1.057419 0.234275 0.390414 11.00000 0.01711 0.01911 = 0.01334 0.00265 0.00319 0.00025 AFIX 43 H13 5 1.060100 0.220079 0.443724 11.00000 -1.20000 AFIX 0 C14 1 1.328812 0.235064 0.295037 11.00000 0.01157 0.07912 = 0.04077 0.02888 0.00811 0.00424 AFIX 137 H14A 5 1.382760 0.239198 0.263356 11.00000 -1.50000 H14B 5 1.327905 0.178252 0.315732 11.00000 -1.50000 H14C 5 1.344351 0.274748 0.338646 11.00000 -1.50000 AFIX 0 C15 1 0.779316 0.135523 0.517303 11.00000 0.01411 0.01623 = 0.01435 0.00038 0.00078 -0.00254 C16 1 0.824966 0.059835 0.502762 11.00000 0.02481 0.01971 = 0.01873 -0.00248 0.00788 -0.00151 AFIX 43 H16 5 0.854153 0.053470 0.457357 11.00000 -1.20000 AFIX 0 C17 1 0.827580 -0.005846 0.554640 11.00000 0.02948 0.01547 = 0.02610 -0.00128 0.00566 0.00062 AFIX 43 H17 5 0.859327 -0.057119 0.544991 11.00000 -1.20000 AFIX 0 C18 1 0.784035 0.002640 0.620874 11.00000 0.02644 0.01742 = 0.02075 0.00478 0.00326 -0.00312 AFIX 43 H18 5 0.785094 -0.042924 0.655919 11.00000 -1.20000 AFIX 0 C19 1 0.739153 0.077824 0.635449 11.00000 0.01877 0.02592 = 0.01690 0.00180 0.00544 -0.00240 AFIX 43 H19 5 0.710044 0.083949 0.680915 11.00000 -1.20000 AFIX 0 C20 1 0.736476 0.144323 0.583935 11.00000 0.01587 0.01925 = 0.01697 -0.00027 0.00404 0.00088 AFIX 43 H20 5 0.705474 0.195743 0.594122 11.00000 -1.20000 AFIX 0 C21 1 0.550999 0.133042 0.389319 11.00000 0.01048 0.01481 = 0.01412 -0.00052 0.00171 0.00106 C22 1 0.517473 0.056301 0.411570 11.00000 0.02509 0.01853 = 0.01863 0.00246 0.00803 -0.00063 AFIX 43 H22 5 0.492633 0.051199 0.459001 11.00000 -1.20000 AFIX 0 C23 1 0.520320 -0.013096 0.364293 11.00000 0.02370 0.01413 = 0.02770 0.00225 0.00560 -0.00106 AFIX 43 H23 5 0.499589 -0.066097 0.380312 11.00000 -1.20000 AFIX 0 C24 1 0.553220 -0.005335 0.293985 11.00000 0.02049 0.01661 = 0.03150 -0.00844 0.01051 -0.00167 AFIX 43 H24 5 0.554570 -0.052794 0.261517 11.00000 -1.20000 AFIX 0 C25 1 0.584289 0.072117 0.271010 11.00000 0.02293 0.02327 = 0.02490 -0.00664 0.01465 -0.00328 AFIX 43 H25 5 0.605577 0.077620 0.222224 11.00000 -1.20000 AFIX 0 C26 1 0.584504 0.141554 0.318712 11.00000 0.01669 0.01629 = 0.02083 -0.00075 0.00862 -0.00201 AFIX 43 H26 5 0.607217 0.194204 0.303386 11.00000 -1.20000 AFIX 0 C27 1 0.460088 0.266124 0.523765 11.00000 0.01222 0.01673 = 0.01031 0.00259 0.00142 0.00160 C28 1 0.366060 0.259924 0.559238 11.00000 0.01331 0.01772 = 0.01092 0.00044 0.00209 0.00061 C29 1 0.333291 0.327975 0.598250 11.00000 0.01790 0.02046 = 0.02446 -0.00399 0.00820 -0.00217 AFIX 43 H29 5 0.372761 0.378232 0.603366 11.00000 -1.20000 AFIX 0 C30 1 0.244216 0.323050 0.629459 11.00000 0.01943 0.02207 = 0.03039 -0.00805 0.01131 0.00053 AFIX 43 H30 5 0.222533 0.370153 0.655241 11.00000 -1.20000 AFIX 0 C31 1 0.185848 0.249737 0.623523 11.00000 0.01216 0.02479 = 0.01590 -0.00237 0.00489 -0.00136 C32 1 0.219366 0.180448 0.587411 11.00000 0.01526 0.02037 = 0.01599 -0.00085 0.00382 -0.00380 AFIX 43 H32 5 0.181672 0.129434 0.584771 11.00000 -1.20000 AFIX 0 C33 1 0.308279 0.186141 0.555181 11.00000 0.01620 0.01701 = 0.01541 -0.00134 0.00396 0.00114 AFIX 43 H33 5 0.330219 0.138818 0.529846 11.00000 -1.20000 AFIX 0 C34 1 0.025386 0.184546 0.636499 11.00000 0.01433 0.03651 = 0.02421 -0.00222 0.00624 -0.00645 AFIX 137 H34A 5 0.007176 0.177612 0.579478 11.00000 -1.50000 H34B 5 -0.038050 0.197047 0.656426 11.00000 -1.50000 H34C 5 0.057053 0.132933 0.660588 11.00000 -1.50000 AFIX 66 PART 1 21.00 C35 1 0.673379 0.409148 0.556642 21.00000 0.01159 0.01444 = 0.02046 -0.00288 0.00386 -0.00016 C36 1 0.662444 0.490189 0.527663 21.00000 0.04263 0.01936 = 0.01781 -0.00017 -0.00319 0.00533 AFIX 43 H36 5 0.612739 0.502088 0.481078 21.00000 -1.20000 AFIX 65 C37 1 0.724236 0.553821 0.566843 21.00000 0.02696 0.01457 = 0.01939 -0.00494 0.00746 0.01009 AFIX 43 H37 5 0.716762 0.609208 0.547037 21.00000 -1.20000 AFIX 65 C38 1 0.796963 0.536412 0.635004 21.00000 0.02365 0.01951 = 0.02228 -0.00333 0.00588 -0.00001 AFIX 43 H38 5 0.839195 0.579901 0.661781 21.00000 -1.20000 AFIX 65 C39 1 0.807899 0.455371 0.663984 21.00000 0.02238 0.02285 = 0.03869 0.00394 -0.01029 -0.00332 AFIX 43 H39 5 0.857605 0.443473 0.710568 21.00000 -1.20000 AFIX 65 C40 1 0.746108 0.391739 0.624804 21.00000 0.01802 0.01771 = 0.03835 0.00950 -0.00610 -0.00381 AFIX 43 H40 5 0.753582 0.336351 0.644611 21.00000 -1.20000 AFIX 66 PART 2 31.000 C35' 1 0.674227 0.410060 0.557067 31.00000 0.01423 0.00875 = 0.01839 -0.00607 0.00355 -0.00568 C36' 1 0.691309 0.483827 0.519565 31.00000 0.03062 0.01971 = 0.01854 0.00413 -0.00538 -0.00592 AFIX 43 H36' 5 0.658047 0.492685 0.466448 31.00000 -1.20000 AFIX 65 C37' 1 0.757059 0.544633 0.559781 31.00000 0.03310 0.01163 = 0.02733 0.00054 -0.00073 -0.00445 AFIX 43 H37' 5 0.768733 0.595049 0.534151 31.00000 -1.20000 AFIX 65 C38' 1 0.805727 0.531672 0.637499 31.00000 0.02050 0.02842 = 0.02640 -0.00241 -0.00158 -0.00997 AFIX 43 H38' 5 0.850663 0.573231 0.664985 31.00000 -1.20000 AFIX 65 C39' 1 0.788646 0.457906 0.675002 31.00000 0.01499 0.02497 = 0.01672 -0.00651 0.00843 -0.00189 AFIX 43 H39' 5 0.821908 0.449048 0.728118 31.00000 -1.20000 AFIX 65 C40' 1 0.722896 0.397100 0.634786 31.00000 0.01055 0.01814 = 0.01993 -0.00114 0.00935 -0.00041 AFIX 43 H40' 5 0.711222 0.346684 0.660417 31.00000 -1.20000 AFIX 66 PART 3 41.000 C35" 1 0.670306 0.407302 0.550765 41.00000 0.01799 0.02367 = 0.01508 0.00208 0.01049 0.00153 C36" 1 0.632510 0.488527 0.540734 41.00000 0.02634 0.02433 = 0.02231 -0.00209 0.00687 0.00223 AFIX 43 H36" 5 0.565399 0.499012 0.509105 41.00000 -1.20000 AFIX 65 C37" 1 0.692907 0.554410 0.576981 41.00000 0.03594 0.01992 = 0.02540 -0.00391 0.01496 -0.00078 AFIX 43 H37" 5 0.667075 0.609923 0.570125 41.00000 -1.20000 AFIX 65 C38" 1 0.791101 0.539069 0.623259 41.00000 0.03615 0.01443 = 0.03645 -0.00778 0.01122 -0.01434 AFIX 43 H38" 5 0.832379 0.584097 0.648032 41.00000 -1.20000 AFIX 65 C39" 1 0.828898 0.457845 0.633290 41.00000 0.02559 0.02609 = 0.05105 -0.00454 -0.00954 -0.00685 AFIX 43 H39" 5 0.896009 0.447360 0.664919 41.00000 -1.20000 AFIX 65 C40" 1 0.768502 0.391961 0.597044 41.00000 0.02251 0.01681 = 0.03925 -0.00459 -0.00121 -0.00545 AFIX 43 H40" 5 0.794334 0.336448 0.603900 41.00000 -1.20000 part 0 AFIX 0 HKLF 4 REM mo_molan508e_100K_0m_a.res in P2(1)/n REM R1 = 0.0374 for 6242 Fo > 4sig(Fo) and 0.0551 for all 7892 data REM 537 parameters refined using 136 restraints END WGHT 0.0260 4.6236 REM Highest difference peak 0.438, deepest hole -0.404, 1-sigma level 0.062 Q1 1 0.0107 0.2766 0.6527 11.00000 0.05 0.44 Q2 1 0.9160 0.2634 0.3600 11.00000 0.05 0.37 Q3 1 0.9576 0.2651 0.3058 11.00000 0.05 0.31 Q4 1 0.7189 0.3989 0.5814 11.00000 0.05 0.30 Q5 1 1.1374 0.2391 0.3208 11.00000 0.05 0.30 ; _shelx_res_checksum 12915 _shelx_hkl_file ; 2 0 0 226.68 4.10 -2 0 0 216.18 4.10 2 0 0 229.38 4.10 -2 0 0 218.38 4.10 3 0 0 -0.50 0.20 -3 0 0 0.10 0.20 -3 0 0 -0.60 0.20 3 0 0 -0.40 0.20 -4 0 0 335.57 6.20 4 0 0 333.77 6.20 -4 0 0 334.97 6.20 4 0 0 335.97 6.20 -5 0 0 -0.30 0.30 5 0 0 -0.70 0.30 5 0 0 -0.50 0.30 -5 0 0 -0.20 0.30 6 0 0 544.65 10.00 -6 0 0 549.65 10.20 6 0 0 546.35 10.00 -6 0 0 561.44 10.10 7 0 0 0.30 0.40 7 0 0 -0.50 0.40 -7 0 0 0.90 0.50 -7 0 0 0.10 0.50 -8 0 0 114.69 3.00 8 0 0 114.99 2.70 -8 0 0 118.99 2.90 8 0 0 118.69 2.70 9 0 0 1.10 0.50 9 0 0 0.30 0.50 -9 0 0 0.00 0.60 -9 0 0 0.70 0.60 -10 0 0 278.37 6.10 10 0 0 276.87 5.60 10 0 0 274.27 5.60 -10 0 0 276.37 5.90 -11 0 0 0.00 0.70 11 0 0 0.30 0.60 -11 0 0 0.10 0.80 11 0 0 -0.70 0.50 -12 0 0 4.20 1.10 12 0 0 4.50 0.70 12 0 0 5.00 0.70 13 0 0 -0.70 0.60 13 0 0 -0.60 0.60 -13 0 0 -0.50 1.00 -13 0 0 -0.10 1.10 -14 0 0 10.80 1.50 14 0 0 11.50 1.20 14 0 0 10.40 1.20 -15 0 0 1.50 1.40 15 0 0 0.80 0.60 -15 0 0 -1.20 1.40 15 0 0 0.80 0.50 -16 0 0 92.69 4.30 -16 0 0 97.29 4.50 -2 -1 0 726.93 13.30 -2 -1 0 742.33 13.30 2 -1 0 765.82 13.50 2 -1 0 783.62 13.50 -2 1 0 781.62 13.50 2 1 0 753.02 13.30 2 1 0 739.13 13.30 -2 1 0 725.43 13.20 -3 -1 0 1074.19 19.30 3 -1 0 1089.29 19.30 -3 -1 0 1139.49 19.70 3 -1 0 1105.69 19.60 3 1 0 1012.80 19.20 -3 1 0 1128.49 19.70 3 1 0 1076.29 19.20 -3 1 0 1109.39 19.60 4 -1 0 2.80 0.30 4 -1 0 3.30 0.40 -4 -1 0 3.20 0.40 -4 -1 0 4.20 0.50 -4 1 0 4.10 0.50 4 1 0 4.60 0.60 4 1 0 4.80 0.50 -4 1 0 5.20 0.50 -5 -1 0 98.79 2.30 5 -1 0 100.39 2.10 5 -1 0 100.49 2.10 -5 -1 0 98.39 2.30 5 1 0 95.39 2.20 -5 1 0 98.79 2.20 -5 1 0 97.19 2.20 5 1 0 98.59 2.20 6 -1 0 25.90 1.00 -6 -1 0 28.80 1.20 -6 -1 0 30.80 1.30 6 -1 0 26.40 1.00 6 1 0 28.20 1.10 -6 1 0 27.30 1.10 6 1 0 30.50 1.10 -6 1 0 26.60 1.10 7 -1 0 141.09 3.00 -7 -1 0 144.49 3.40 7 -1 0 141.49 3.00 -7 -1 0 145.19 3.30 7 1 0 141.59 3.10 -7 1 0 142.69 3.20 7 1 0 142.19 3.20 -7 1 0 145.09 3.20 -8 -1 0 1.10 0.60 8 -1 0 0.70 0.40 8 -1 0 0.50 0.40 -8 -1 0 1.30 0.60 -8 1 0 0.60 0.50 8 1 0 -0.20 0.40 8 1 0 0.10 0.50 -8 1 0 0.60 0.50 -9 -1 0 0.40 0.70 -9 -1 0 0.50 0.60 9 -1 0 -0.20 0.40 9 -1 0 0.10 0.40 -9 1 0 0.00 0.60 -9 1 0 0.00 0.60 9 1 0 0.00 0.50 9 1 0 1.20 0.60 -10 -1 0 61.19 2.50 -10 -1 0 63.59 2.30 10 -1 0 62.69 1.80 10 -1 0 63.49 1.80 10 1 0 58.49 2.00 10 1 0 60.29 2.00 -10 1 0 62.09 2.40 -10 1 0 62.39 2.30 11 -1 0 0.20 0.50 -11 -1 0 -0.50 0.90 11 -1 0 0.60 0.50 -11 -1 0 -0.80 0.80 11 1 0 0.00 0.60 -11 1 0 -0.40 0.80 -11 1 0 0.50 0.80 11 1 0 0.20 0.60 12 -1 0 20.10 1.20 -12 -1 0 20.50 2.30 12 -1 0 21.80 1.20 12 1 0 21.20 1.50 12 1 0 18.90 1.40 -12 1 0 19.90 1.90 -12 1 0 22.60 2.00 13 -1 0 -0.10 0.50 -13 -1 0 -1.80 1.00 -13 -1 0 -2.30 1.00 13 -1 0 -1.00 0.50 -13 1 0 -0.10 1.00 13 1 0 -0.20 0.70 13 1 0 -0.50 0.70 -13 1 0 0.80 1.10 -14 -1 0 104.69 4.10 14 -1 0 103.39 2.20 14 -1 0 100.49 2.20 -14 -1 0 103.89 3.80 14 1 0 105.99 2.80 -14 1 0 107.49 3.70 14 1 0 104.99 2.80 -14 1 0 87.39 5.10 -15 -1 0 5.10 1.60 -15 -1 0 4.90 1.60 -15 1 0 3.70 1.50 15 1 0 5.00 0.80 -15 1 0 6.20 1.60 15 1 0 4.90 0.80 -16 -1 0 30.10 3.40 -16 -1 0 20.30 2.30 -16 1 0 20.20 2.20 -16 1 0 20.40 2.10 -1 -2 0 21.00 0.80 1 -2 0 23.10 0.70 1 -2 0 23.90 0.70 1 2 0 24.00 0.70 -1 2 0 22.30 0.80 1 2 0 24.40 1.00 -2 -2 0 117.99 2.50 2 -2 0 117.29 2.20 -2 -2 0 120.39 2.40 2 -2 0 117.39 2.20 -2 2 0 118.89 2.30 2 2 0 118.49 2.40 2 2 0 118.39 2.40 -2 2 0 118.69 2.30 -3 -2 0 3.10 0.40 3 -2 0 2.70 0.40 3 -2 0 1.70 0.30 -3 -2 0 3.90 0.60 3 2 0 2.70 0.40 3 2 0 2.90 0.40 -3 2 0 2.10 0.30 -3 2 0 2.60 0.40 4 -2 0 268.97 5.00 4 -2 0 271.87 5.00 -4 -2 0 269.47 5.20 -4 -2 0 271.57 5.30 -4 2 0 267.97 5.10 4 2 0 270.77 5.20 4 2 0 270.07 5.20 -4 2 0 277.97 5.10 -5 -2 0 154.18 3.40 5 -2 0 150.58 3.00 -5 -2 0 154.98 3.30 5 -2 0 151.38 3.00 5 2 0 148.49 3.20 -5 2 0 151.28 3.10 -5 2 0 153.98 3.10 5 2 0 157.58 3.30 -6 -2 0 21.70 1.10 6 -2 0 21.60 0.80 -6 -2 0 21.10 1.20 6 -2 0 20.40 0.80 6 2 0 21.40 1.00 6 2 0 21.00 1.10 -6 2 0 22.00 1.00 -6 2 0 22.40 1.00 -7 -2 0 194.18 4.20 -7 -2 0 197.38 4.30 7 -2 0 191.28 3.80 7 -2 0 191.38 3.80 -7 2 0 194.98 4.00 7 2 0 190.08 4.10 -7 2 0 188.68 4.10 7 2 0 193.88 4.10 8 -2 0 1.10 0.40 8 -2 0 1.00 0.40 -8 -2 0 2.10 0.70 -8 -2 0 1.20 0.60 -8 2 0 1.60 0.60 8 2 0 1.30 0.60 8 2 0 1.10 0.50 -8 2 0 1.10 0.50 9 -2 0 1.90 0.50 -9 -2 0 1.50 0.80 9 -2 0 2.00 0.40 -9 -2 0 2.10 0.70 -9 2 0 2.70 0.70 9 2 0 2.70 0.60 -9 2 0 2.20 0.70 9 2 0 2.70 0.60 10 -2 0 203.38 4.20 -10 -2 0 213.68 4.90 -10 -2 0 213.58 5.20 10 -2 0 209.18 4.20 -10 2 0 214.28 4.90 -10 2 0 216.88 4.80 10 2 0 213.58 4.60 10 2 0 207.88 4.60 -11 -2 0 30.00 2.00 11 -2 0 29.90 1.20 11 -2 0 26.50 1.20 -11 -2 0 29.90 2.20 -11 2 0 29.60 1.90 11 2 0 28.30 1.60 11 2 0 28.70 1.60 -11 2 0 28.30 1.80 12 -2 0 0.50 0.40 -12 -2 0 -0.40 1.00 -12 -2 0 0.40 1.00 12 -2 0 0.80 0.40 12 2 0 -0.90 0.70 -12 2 0 -0.40 0.90 -12 2 0 -1.00 0.80 12 2 0 -0.70 0.70 -13 -2 0 -0.20 1.20 13 -2 0 0.50 0.40 13 -2 0 0.20 0.40 -13 -2 0 -1.90 1.00 -13 2 0 1.60 1.00 -13 2 0 0.50 1.00 13 2 0 -0.70 0.80 13 2 0 -0.10 0.80 -14 -2 0 3.50 1.40 -14 -2 0 5.90 1.40 14 2 0 5.50 0.90 -14 2 0 3.90 1.30 14 2 0 5.10 1.00 -14 2 0 5.50 1.30 -15 -2 0 0.60 1.50 -15 -2 0 4.10 1.70 15 2 0 0.90 0.90 -15 2 0 0.70 1.40 15 2 0 1.20 0.90 -15 2 0 0.70 1.40 -16 -2 0 63.49 4.00 -16 -2 0 64.39 4.30 16 2 0 62.89 2.10 16 2 0 62.89 2.10 -16 2 0 58.79 3.60 -16 2 0 62.29 3.80 0 -3 0 0.10 0.20 0 -3 0 0.40 0.20 -1 -3 0 94.49 2.00 1 -3 0 94.79 1.90 1 -3 0 91.39 1.90 -1 -3 0 91.59 2.10 1 3 0 92.89 2.00 1 3 0 94.29 2.10 -1 3 0 93.89 2.00 -1 3 0 93.09 1.90 2 -3 0 13.70 0.50 -2 -3 0 15.40 0.70 2 -3 0 13.20 0.60 -2 -3 0 12.90 0.80 2 3 0 14.30 0.80 -2 3 0 14.00 0.60 2 3 0 13.60 0.70 -2 3 0 13.60 0.60 3 -3 0 0.00 0.20 3 -3 0 0.00 0.20 -3 -3 0 0.10 0.40 -3 -3 0 0.40 0.30 -3 3 0 -0.10 0.20 3 3 0 -0.50 0.30 3 3 0 0.10 0.40 -3 3 0 0.20 0.20 -4 -3 0 162.08 3.60 4 -3 0 166.28 3.20 4 -3 0 164.38 3.20 -4 -3 0 169.78 3.50 -4 3 0 166.98 3.30 4 3 0 163.28 3.50 -4 3 0 166.78 3.30 4 3 0 170.58 3.50 -5 -3 0 9.10 0.90 -5 -3 0 7.50 0.90 5 -3 0 8.00 0.50 5 -3 0 7.80 0.50 -5 3 0 7.80 0.70 5 3 0 8.80 0.90 -5 3 0 7.90 0.70 5 3 0 8.20 0.80 6 -3 0 16.10 0.70 -6 -3 0 16.40 1.10 6 -3 0 16.50 0.70 -6 -3 0 15.10 1.20 6 3 0 17.30 1.10 -6 3 0 16.10 0.90 6 3 0 18.20 1.10 -6 3 0 16.80 0.90 7 -3 0 36.90 1.10 7 -3 0 38.10 1.10 -7 -3 0 38.00 1.60 -7 -3 0 38.50 1.70 7 3 0 37.80 1.50 -7 3 0 39.10 1.40 7 3 0 35.80 1.50 -7 3 0 37.70 1.40 8 -3 0 4.50 0.50 8 -3 0 4.20 0.40 -8 -3 0 4.30 0.90 -8 -3 0 3.50 0.70 -8 3 0 4.10 0.60 -8 3 0 4.60 0.60 8 3 0 2.70 0.60 8 3 0 4.90 0.70 9 -3 0 0.50 0.40 9 -3 0 -0.20 0.40 -9 -3 0 2.90 1.00 -9 -3 0 0.30 0.70 -9 3 0 1.50 0.60 9 3 0 1.40 0.70 -9 3 0 0.10 0.60 9 3 0 0.40 0.60 10 -3 0 89.89 2.10 10 -3 0 91.99 2.10 -10 -3 0 88.39 3.20 -10 -3 0 94.19 3.00 -10 3 0 94.39 2.70 10 3 0 90.69 2.70 10 3 0 91.99 2.70 -10 3 0 92.49 2.80 11 -3 0 2.40 0.40 11 -3 0 2.60 0.40 -11 -3 0 1.60 1.10 -11 -3 0 1.90 1.20 11 3 0 3.10 0.80 -11 3 0 3.80 0.90 11 3 0 2.80 0.80 -11 3 0 1.70 0.80 -12 -3 0 7.60 1.20 -12 -3 0 10.30 1.50 12 3 0 8.00 1.00 12 3 0 11.90 1.50 -12 3 0 10.20 1.20 -12 3 0 13.20 1.70 -13 -3 0 27.10 2.40 -13 -3 0 24.20 2.90 -13 3 0 25.60 2.20 -13 3 0 26.00 2.20 13 3 0 25.30 1.90 13 3 0 26.20 1.90 -14 -3 0 45.80 3.00 -14 -3 0 46.70 3.30 -14 3 0 45.20 2.80 -14 3 0 47.00 2.80 14 3 0 45.80 2.30 14 3 0 48.90 2.30 -15 -3 0 18.50 2.00 -15 -3 0 16.60 2.30 -15 3 0 18.60 1.90 15 3 0 18.90 2.00 15 3 0 19.20 1.90 -15 3 0 16.30 1.80 -16 -3 0 6.50 2.10 -16 -3 0 7.10 1.80 -16 3 0 11.60 1.80 -16 3 0 9.00 1.90 16 3 0 8.80 1.10 16 3 0 14.50 1.90 0 -4 0 4437.26 79.49 0 -4 0 4593.44 80.09 0 4 0 4450.55 79.49 0 4 0 4410.56 79.59 -1 -4 0 218.38 4.40 1 -4 0 221.38 4.20 -1 -4 0 223.78 4.30 -1 4 0 217.88 4.20 -1 4 0 222.78 4.30 1 4 0 225.08 4.40 1 4 0 221.98 4.30 2 -4 0 68.49 1.60 -2 -4 0 68.49 1.90 2 -4 0 68.09 1.60 -2 -4 0 70.29 1.80 -2 4 0 70.39 1.60 2 4 0 70.19 1.80 -2 4 0 68.79 1.60 2 4 0 71.59 1.90 -3 -4 0 1.30 0.40 3 -4 0 1.10 0.30 3 -4 0 1.00 0.20 -3 -4 0 1.50 0.50 -3 4 0 0.90 0.30 3 4 0 0.80 0.40 3 4 0 1.60 0.40 -3 4 0 1.00 0.30 4 -4 0 196.48 3.70 -4 -4 0 194.68 4.10 4 -4 0 189.58 3.70 -4 -4 0 196.08 4.20 4 4 0 197.48 4.10 -4 4 0 193.58 3.80 4 4 0 193.98 4.10 -4 4 0 197.48 3.80 -5 -4 0 4.20 0.60 -5 -4 0 3.90 0.60 5 -4 0 5.40 0.50 5 -4 0 5.20 0.50 5 4 0 4.90 0.60 5 4 0 4.70 0.60 -5 4 0 5.30 0.70 -5 4 0 5.40 0.70 -6 -4 0 493.85 9.60 6 -4 0 475.95 8.90 6 -4 0 487.25 8.90 -6 -4 0 501.25 9.40 6 4 0 503.95 9.40 -6 4 0 492.95 9.10 6 4 0 502.45 9.40 -6 4 0 487.65 9.20 -7 -4 0 125.49 3.20 -7 -4 0 124.09 3.40 7 -4 0 122.09 2.50 7 -4 0 124.89 2.60 -7 4 0 126.19 2.90 7 4 0 125.29 3.10 7 4 0 126.29 3.10 -7 4 0 126.69 2.90 -8 -4 0 31.70 1.60 -8 -4 0 29.80 1.80 8 -4 0 30.00 1.00 8 -4 0 31.10 1.00 8 4 0 29.90 1.50 -8 4 0 30.30 1.40 8 4 0 30.10 1.60 -8 4 0 31.00 1.40 -9 -4 0 0.00 0.80 9 -4 0 0.70 0.30 9 -4 0 0.30 0.30 -9 -4 0 0.50 0.70 9 4 0 -0.30 0.60 -9 4 0 0.50 0.60 9 4 0 0.70 0.70 -9 4 0 0.30 0.60 -10 -4 0 121.09 3.50 10 -4 0 120.49 2.50 -10 -4 0 118.89 3.80 10 -4 0 120.99 2.50 10 4 0 122.79 3.30 -10 4 0 125.49 3.30 -10 4 0 127.59 3.30 10 4 0 122.89 3.30 -11 -4 0 42.90 2.60 -11 -4 0 47.40 2.40 11 4 0 45.00 2.10 -11 4 0 45.70 2.10 -11 4 0 47.90 2.10 11 4 0 47.40 2.10 -12 -4 0 0.00 1.00 -12 -4 0 0.40 1.10 -12 4 0 0.80 0.90 12 4 0 0.70 0.80 -12 4 0 1.10 0.90 12 4 0 1.10 0.90 -13 -4 0 41.00 3.00 -13 -4 0 41.40 2.80 13 4 0 46.10 2.30 13 4 0 44.20 2.30 -13 4 0 43.80 2.50 -13 4 0 41.00 2.40 -14 -4 0 -0.20 1.40 -14 -4 0 2.10 1.50 14 4 0 1.90 1.00 -14 4 0 1.40 1.10 -14 4 0 -0.10 1.10 14 4 0 1.10 1.00 -15 -4 0 30.50 3.70 -15 -4 0 35.30 3.30 15 4 0 29.40 2.30 -15 4 0 35.70 2.90 15 4 0 29.40 2.30 -15 4 0 32.80 2.80 -16 -4 0 3.70 2.20 -16 -4 0 3.80 1.80 -16 4 0 4.20 1.60 16 4 0 4.40 1.20 -16 4 0 5.20 1.70 16 4 0 3.70 1.20 0 -5 0 0.40 0.40 0 -5 0 0.30 0.30 0 5 0 0.20 0.40 0 5 0 0.20 0.30 -1 -5 0 52.39 1.50 1 -5 0 50.49 1.40 -1 -5 0 50.39 1.60 -1 5 0 52.19 1.50 1 5 0 49.50 1.60 1 5 0 50.49 1.50 -1 5 0 49.99 1.40 2 -5 0 25.20 0.90 -2 -5 0 21.40 1.20 2 -5 0 24.10 0.90 -2 -5 0 24.00 1.00 -2 5 0 24.10 1.00 -2 5 0 24.70 0.90 2 5 0 24.90 1.20 2 5 0 24.80 1.00 3 -5 0 315.37 5.90 -3 -5 0 320.07 6.40 -3 -5 0 309.97 6.10 3 -5 0 311.37 5.80 -3 5 0 306.37 6.00 3 5 0 321.17 6.30 -3 5 0 313.17 6.00 3 5 0 320.87 6.20 -4 -5 0 438.46 8.60 4 -5 0 430.86 8.00 4 -5 0 432.66 8.00 -4 -5 0 446.56 8.40 -4 5 0 435.26 8.10 -4 5 0 442.56 8.20 4 5 0 440.36 8.50 4 5 0 446.96 8.40 -5 -5 0 8.50 1.10 5 -5 0 11.70 0.60 5 -5 0 11.20 0.70 -5 5 0 12.90 0.90 5 5 0 11.10 1.20 5 5 0 10.20 1.00 -5 5 0 10.90 0.80 6 -5 0 2.70 0.40 6 -5 0 3.20 0.40 -6 -5 0 2.70 0.80 -6 -5 0 2.30 0.60 -6 5 0 3.20 0.50 6 5 0 4.00 0.70 -6 5 0 3.20 0.50 6 5 0 2.60 0.60 -7 -5 0 108.69 3.00 -7 -5 0 107.19 3.20 7 -5 0 105.29 2.20 7 -5 0 110.09 2.30 7 5 0 105.59 2.90 -7 5 0 110.49 2.70 7 5 0 107.49 2.90 -7 5 0 107.89 2.60 -8 -5 0 0.70 0.90 -8 -5 0 0.50 0.70 8 -5 0 0.70 0.30 8 -5 0 0.30 0.30 8 5 0 0.70 0.60 -8 5 0 0.40 0.50 -8 5 0 0.60 0.50 8 5 0 0.40 0.60 -9 -5 0 11.70 1.30 9 -5 0 8.50 0.60 9 -5 0 8.70 0.60 -9 -5 0 8.10 1.00 -9 5 0 9.60 1.30 9 5 0 9.30 1.00 9 5 0 8.10 1.00 -9 5 0 9.60 1.20 -10 -5 0 121.19 4.10 -10 -5 0 129.79 4.10 -10 5 0 136.89 3.50 10 5 0 137.19 3.70 -10 5 0 136.79 3.50 10 5 0 139.49 3.70 -11 -5 0 1.00 1.00 -11 -5 0 1.10 1.10 11 5 0 2.20 0.90 11 5 0 1.00 0.80 -11 5 0 1.40 0.80 -11 5 0 0.70 0.80 -12 -5 0 7.20 1.60 -12 -5 0 6.60 1.30 -12 5 0 6.20 1.00 -12 5 0 4.70 1.00 12 5 0 8.30 1.20 12 5 0 5.70 1.10 -13 -5 0 87.19 3.60 -13 -5 0 86.79 4.00 13 5 0 94.59 3.20 13 5 0 92.89 3.20 -13 5 0 87.59 3.20 -13 5 0 92.19 3.20 -14 -5 0 21.30 2.80 -14 -5 0 21.20 2.40 14 5 0 20.00 2.20 -14 5 0 19.60 2.40 14 5 0 22.20 2.20 -14 5 0 22.40 2.30 -15 -5 0 12.40 2.00 -15 -5 0 16.10 2.50 15 5 0 10.70 1.50 15 5 0 12.00 1.40 -15 5 0 12.90 1.70 -15 5 0 10.10 1.60 0 -6 0 259.97 5.00 0 -6 0 257.47 5.20 0 6 0 255.67 5.20 0 6 0 249.48 5.10 -1 -6 0 88.09 2.10 1 -6 0 87.89 2.10 1 -6 0 85.99 2.10 -1 -6 0 81.99 2.30 -1 6 0 85.09 2.20 1 6 0 86.79 2.20 1 6 0 84.39 2.30 -1 6 0 82.79 2.10 2 -6 0 7.10 0.70 -2 -6 0 5.30 0.70 2 -6 0 7.30 0.70 -2 -6 0 8.50 0.80 -2 6 0 8.30 0.70 2 6 0 7.30 0.80 2 6 0 8.60 1.00 -2 6 0 7.60 0.80 -3 -6 0 -0.10 0.60 -3 -6 0 -0.30 0.50 3 -6 0 -0.80 0.30 3 -6 0 -0.50 0.30 3 6 0 0.30 0.50 3 6 0 -0.10 0.40 -3 6 0 -0.90 0.30 4 -6 0 289.77 5.40 -4 -6 0 277.87 6.10 4 -6 0 281.37 5.40 -4 -6 0 286.67 5.80 -4 6 0 290.27 5.60 -4 6 0 287.87 5.60 4 6 0 284.07 5.90 4 6 0 293.47 6.00 -5 -6 0 57.59 2.20 5 -6 0 60.99 1.50 5 -6 0 59.79 1.50 -5 -6 0 63.29 2.00 5 6 0 61.39 2.10 5 6 0 59.49 2.00 -5 6 0 59.69 1.70 -5 6 0 62.29 1.80 6 -6 0 56.79 1.40 -6 -6 0 60.29 2.10 -6 -6 0 58.89 2.30 6 -6 0 59.69 1.50 -6 6 0 61.79 1.80 -6 6 0 57.99 1.80 6 6 0 58.29 2.10 6 6 0 60.59 2.10 -7 -6 0 126.49 3.60 7 -6 0 129.09 2.60 7 -6 0 123.89 2.50 -7 -6 0 130.09 3.40 7 6 0 131.89 3.40 7 6 0 124.09 3.30 -7 6 0 121.89 3.00 -7 6 0 124.39 3.00 8 -6 0 0.90 0.30 -8 -6 0 1.00 0.90 -8 -6 0 2.00 0.80 8 -6 0 1.00 0.30 -8 6 0 0.80 0.60 8 6 0 2.30 0.80 -8 6 0 0.70 0.60 8 6 0 0.60 0.70 -9 -6 0 18.00 2.00 -9 -6 0 20.80 1.80 9 6 0 18.60 1.70 -9 6 0 18.70 1.40 9 6 0 17.80 1.60 -9 6 0 15.10 1.40 -10 -6 0 169.38 4.90 -10 -6 0 163.88 4.40 10 6 0 163.28 4.30 -10 6 0 163.38 4.00 -10 6 0 168.58 4.10 10 6 0 165.28 4.30 -11 -6 0 28.60 2.60 -11 -6 0 30.10 2.30 11 6 0 26.40 2.10 -11 6 0 25.60 1.80 -11 6 0 25.80 1.80 11 6 0 24.40 2.00 -12 -6 0 37.90 3.00 -12 -6 0 38.10 2.60 -12 6 0 35.90 2.20 12 6 0 37.20 2.30 12 6 0 37.60 2.30 -12 6 0 36.80 2.60 -13 -6 0 8.00 1.50 -13 -6 0 7.20 1.80 -13 6 0 7.30 1.30 13 6 0 8.10 1.30 -13 6 0 8.50 1.30 -14 -6 0 4.90 1.60 -14 -6 0 7.90 2.00 14 6 0 4.20 1.30 14 6 0 7.80 1.70 -14 6 0 6.00 1.60 -14 6 0 5.20 1.40 -15 -6 0 1.00 1.70 -15 -6 0 -0.20 2.00 15 6 0 -1.30 1.10 15 6 0 0.90 1.30 -15 6 0 0.60 1.40 -15 6 0 0.60 1.30 0 -7 0 0.00 0.50 0 -7 0 -0.30 0.40 0 7 0 -0.80 0.50 0 7 0 -0.20 0.40 1 -7 0 11.70 0.90 -1 -7 0 11.30 1.10 -1 -7 0 12.10 1.00 1 -7 0 11.60 1.00 -1 7 0 11.40 1.10 1 7 0 11.70 1.00 1 7 0 11.70 1.10 -1 7 0 12.00 0.90 -2 -7 0 354.76 6.90 -2 -7 0 354.06 7.20 2 -7 0 352.76 6.70 2 -7 0 354.26 6.70 -2 7 0 353.16 7.00 2 7 0 358.06 7.00 -2 7 0 343.27 6.80 2 7 0 351.56 7.20 3 -7 0 265.17 5.20 -3 -7 0 272.77 5.60 3 -7 0 270.17 5.20 -3 -7 0 272.47 5.90 3 7 0 268.67 5.80 -3 7 0 267.27 5.40 3 7 0 268.77 5.60 -3 7 0 265.37 5.50 -4 -7 0 106.19 3.10 -4 -7 0 107.79 2.80 4 -7 0 110.79 2.40 4 -7 0 105.49 2.40 4 7 0 110.69 3.00 -4 7 0 106.59 2.60 4 7 0 105.09 2.80 -4 7 0 105.29 2.60 5 -7 0 0.00 0.30 5 -7 0 -0.70 0.30 -5 -7 0 -0.70 0.60 -5 -7 0 -0.90 0.70 5 7 0 0.30 0.60 5 7 0 -0.20 0.60 -5 7 0 -0.10 0.40 -5 7 0 -0.10 0.40 -6 -7 0 -0.50 0.60 6 -7 0 0.00 0.30 6 -7 0 -0.50 0.30 -6 -7 0 -0.60 0.70 6 7 0 0.00 0.70 -6 7 0 -1.10 0.40 -6 7 0 -0.40 0.50 6 7 0 -0.30 0.60 -7 -7 0 55.39 2.20 7 -7 0 50.59 1.30 7 -7 0 51.59 1.40 -7 -7 0 52.29 2.50 7 7 0 49.99 2.10 -7 7 0 53.09 1.80 -7 7 0 53.29 1.90 7 7 0 53.79 2.20 8 -7 0 24.70 0.80 -8 -7 0 22.20 2.10 8 -7 0 25.00 0.80 -8 -7 0 26.20 1.90 -8 7 0 25.40 1.50 8 7 0 28.20 1.90 -8 7 0 26.10 1.40 8 7 0 23.80 1.70 -9 -7 0 166.28 4.80 9 7 0 164.08 4.30 -9 7 0 160.38 3.90 9 7 0 167.28 4.30 -9 7 0 164.38 4.00 -10 -7 0 80.09 3.10 -10 -7 0 81.59 3.50 10 7 0 87.99 3.10 -10 7 0 83.69 2.70 10 7 0 80.79 3.00 -10 7 0 79.39 2.60 -11 -7 0 1.80 1.90 -11 -7 0 1.70 1.10 11 7 0 -0.10 1.00 -11 7 0 0.50 0.80 11 7 0 1.40 0.90 -11 7 0 0.00 0.80 -12 -7 0 9.30 1.50 -12 -7 0 11.30 1.80 12 7 0 10.30 1.40 -12 7 0 11.40 1.20 12 7 0 16.80 2.20 -13 -7 0 51.09 3.30 -13 -7 0 49.00 3.70 -13 7 0 46.30 2.60 13 7 0 52.19 2.90 -13 7 0 53.49 2.80 13 7 0 50.99 2.80 -14 -7 0 15.20 2.10 -14 -7 0 16.70 2.50 14 7 0 14.50 1.70 14 7 0 15.40 1.70 -14 7 0 24.20 2.60 -15 -7 0 7.10 2.10 -15 -7 0 6.90 2.40 -15 7 0 9.70 1.60 -15 7 0 5.30 1.60 15 7 0 7.00 1.60 0 -8 0 57.39 2.00 0 -8 0 57.69 1.80 0 8 0 57.79 1.90 0 8 0 57.79 2.10 -1 -8 0 130.49 3.10 -1 -8 0 122.69 3.30 1 -8 0 131.39 3.10 1 -8 0 130.89 3.00 -1 8 0 127.49 3.10 1 8 0 125.99 3.10 -1 8 0 125.39 3.20 1 8 0 125.99 3.30 2 -8 0 4.20 0.60 2 -8 0 2.80 0.50 -2 -8 0 2.40 0.60 -2 -8 0 2.30 0.80 -2 8 0 3.50 0.70 -2 8 0 3.30 0.60 2 8 0 3.10 0.60 2 8 0 3.40 0.80 -3 -8 0 1.40 0.60 3 -8 0 2.70 0.50 -3 -8 0 0.80 0.80 3 -8 0 2.50 0.50 3 8 0 1.70 0.60 -3 8 0 3.10 0.70 -3 8 0 3.30 0.60 3 8 0 2.40 0.70 -4 -8 0 203.38 5.00 4 -8 0 199.08 4.10 -4 -8 0 206.58 4.70 4 -8 0 208.88 4.20 -4 8 0 209.48 4.40 4 8 0 201.88 4.90 -4 8 0 211.18 4.60 4 8 0 211.68 4.70 -5 -8 0 115.69 3.50 5 -8 0 115.49 2.60 -5 -8 0 119.79 3.20 5 -8 0 110.79 2.50 5 8 0 115.79 3.20 -5 8 0 110.99 2.80 5 8 0 116.69 3.30 -5 8 0 111.39 2.90 6 -8 0 -0.20 0.30 -6 -8 0 -1.00 0.80 6 -8 0 0.00 0.40 -6 -8 0 -1.50 0.70 -6 8 0 -0.50 0.50 6 8 0 -1.70 0.70 -6 8 0 -0.60 0.50 6 8 0 -0.40 0.70 7 -8 0 142.09 2.90 -7 -8 0 151.98 4.00 -7 -8 0 150.98 4.30 7 -8 0 147.29 3.00 7 8 0 146.79 3.90 7 8 0 145.99 4.00 -7 8 0 144.79 3.50 -7 8 0 145.99 3.60 8 -8 0 0.30 0.30 8 -8 0 1.00 0.30 -8 -8 0 -0.90 0.90 -8 -8 0 0.30 1.10 8 8 0 1.80 0.90 -8 8 0 1.20 0.70 -8 8 0 0.80 0.60 8 8 0 2.00 0.90 -9 -8 0 57.39 2.70 -9 -8 0 51.49 3.00 9 8 0 56.69 2.50 9 8 0 53.59 2.60 -9 8 0 53.59 2.10 -9 8 0 53.69 2.20 -10 -8 0 66.39 3.40 -10 -8 0 71.29 3.10 10 8 0 69.79 2.90 -10 8 0 74.39 2.60 -10 8 0 72.09 2.50 -11 -8 0 120.19 4.10 -11 -8 0 120.69 4.60 11 8 0 122.19 3.90 -11 8 0 124.99 3.60 11 8 0 121.79 3.90 -11 8 0 120.39 3.50 -12 -8 0 0.10 1.20 -12 -8 0 -1.30 1.50 -12 8 0 0.40 0.90 12 8 0 -0.90 1.00 12 8 0 -0.40 1.20 -12 8 0 -1.00 1.00 -13 -8 0 49.00 4.00 -13 -8 0 59.09 3.50 -13 8 0 55.89 2.70 -13 8 0 56.99 3.00 13 8 0 45.40 3.00 -14 -8 0 -0.20 2.00 -14 -8 0 0.80 1.80 14 8 0 2.00 1.40 -14 8 0 0.50 1.20 -14 8 0 2.80 1.40 14 8 0 0.30 1.50 -15 -8 0 5.20 2.50 -15 8 0 7.80 1.60 -15 8 0 8.00 1.70 15 8 0 3.40 1.60 0 -9 0 -0.30 0.50 0 -9 0 0.10 0.60 0 9 0 -0.50 0.70 0 9 0 0.00 0.60 1 -9 0 13.90 1.20 1 -9 0 11.90 1.10 -1 -9 0 12.50 1.20 -1 -9 0 10.70 1.30 -1 9 0 13.30 1.30 1 9 0 12.40 1.40 1 9 0 12.10 1.20 -1 9 0 11.30 1.10 -2 -9 0 12.10 1.50 2 -9 0 12.20 1.10 -2 -9 0 12.10 1.20 2 -9 0 11.30 1.00 -2 9 0 11.50 1.10 -2 9 0 14.20 1.30 2 9 0 11.30 1.20 2 9 0 12.40 1.50 -3 -9 0 410.86 8.60 3 -9 0 417.46 7.90 -3 -9 0 417.96 8.30 3 -9 0 413.46 7.90 3 9 0 411.66 8.30 -3 9 0 416.16 8.30 -3 9 0 409.56 8.10 3 9 0 421.46 8.60 4 -9 0 113.29 2.70 -4 -9 0 109.99 3.50 4 -9 0 111.59 2.60 -4 -9 0 114.69 3.20 4 9 0 119.29 3.40 4 9 0 111.19 3.20 -4 9 0 110.59 2.90 -4 9 0 112.29 3.10 -5 -9 0 13.00 1.50 5 -9 0 11.90 1.00 5 -9 0 12.80 0.90 -5 -9 0 11.60 1.30 5 9 0 11.90 1.40 -5 9 0 11.00 1.20 5 9 0 12.90 1.70 -6 -9 0 1.00 0.90 -6 -9 0 1.90 1.10 6 -9 0 2.40 0.50 6 -9 0 0.80 0.50 6 9 0 0.60 0.80 -6 9 0 3.00 0.70 -6 9 0 1.60 0.60 6 9 0 0.70 0.90 -7 -9 0 67.49 2.70 7 -9 0 69.99 1.70 -7 -9 0 68.69 3.10 7 -9 0 68.39 1.70 7 9 0 71.39 2.80 -7 9 0 66.49 2.30 -7 9 0 71.19 2.30 7 9 0 73.19 2.70 8 -9 0 62.29 1.40 -8 -9 0 61.99 2.70 -8 -9 0 60.69 3.10 8 -9 0 61.29 1.40 8 9 0 63.69 2.60 8 9 0 63.89 2.80 -8 9 0 65.39 2.30 -8 9 0 62.79 2.40 -9 -9 0 34.70 2.40 -9 -9 0 30.80 2.70 9 9 0 32.90 2.20 -9 9 0 32.40 1.80 -9 9 0 30.00 1.90 9 9 0 30.30 2.30 -10 -9 0 25.70 2.40 -10 -9 0 26.50 3.30 10 9 0 23.90 2.10 10 9 0 25.60 2.40 -10 9 0 25.30 2.00 -10 9 0 26.40 1.80 -11 -9 0 0.10 1.40 -11 -9 0 1.60 1.50 11 9 0 4.80 1.40 -11 9 0 4.40 1.00 11 9 0 4.10 1.30 -12 -9 0 -0.30 1.70 -12 -9 0 1.40 1.50 12 9 0 0.20 1.20 -12 9 0 1.60 1.10 -12 9 0 -0.10 1.00 12 9 0 -0.90 1.10 -13 -9 0 109.19 4.40 -13 -9 0 112.89 5.20 -13 9 0 103.29 3.70 -13 9 0 103.09 3.80 13 9 0 101.49 4.00 -14 -9 0 1.20 2.30 -14 -9 0 -1.10 1.80 -14 9 0 0.80 1.40 14 9 0 0.60 1.90 14 9 0 1.10 1.40 -14 9 0 -1.80 1.20 0 -10 0 109.29 2.90 0 -10 0 105.29 3.10 0 10 0 104.19 2.90 0 10 0 105.89 3.20 1 -10 0 34.20 1.60 -1 -10 0 36.60 1.90 -1 -10 0 34.20 1.70 1 -10 0 36.20 1.70 1 10 0 34.00 1.70 -1 10 0 34.00 1.70 1 10 0 32.10 1.90 -1 10 0 33.50 1.90 -2 -10 0 -0.30 0.70 2 -10 0 0.80 0.60 -2 -10 0 -0.50 0.80 2 -10 0 0.30 0.60 -2 10 0 -0.40 0.50 2 10 0 0.10 0.80 -2 10 0 0.90 0.70 2 10 0 0.30 0.70 -3 -10 0 0.50 0.70 3 -10 0 0.60 0.60 -3 -10 0 0.20 0.90 3 -10 0 0.80 0.60 -3 10 0 0.90 0.60 3 10 0 0.80 0.80 3 10 0 0.20 0.70 -3 10 0 0.50 0.70 4 -10 0 8.10 1.00 4 -10 0 5.40 0.70 -4 -10 0 5.70 1.00 -4 -10 0 5.80 1.20 -4 10 0 5.90 0.90 4 10 0 7.00 1.20 4 10 0 6.10 1.00 -4 10 0 7.20 0.90 -5 -10 0 223.48 5.20 5 -10 0 211.88 4.40 5 -10 0 216.48 4.50 -5 -10 0 221.38 5.60 5 10 0 216.38 5.40 5 10 0 218.08 5.20 -5 10 0 214.88 5.00 -5 10 0 213.18 4.80 -6 -10 0 10.10 1.40 -6 -10 0 8.00 1.10 6 -10 0 9.50 0.90 6 -10 0 9.60 1.00 6 10 0 9.10 1.30 6 10 0 10.60 1.20 -6 10 0 8.90 0.90 7 -10 0 29.80 1.20 7 -10 0 30.50 1.10 -7 -10 0 32.10 2.20 -7 -10 0 30.20 2.50 -7 10 0 32.40 1.70 7 10 0 27.80 2.00 -7 10 0 28.20 1.80 8 -10 0 -0.30 0.30 8 -10 0 0.20 0.30 -8 -10 0 0.60 1.00 -8 -10 0 -0.90 1.10 -8 10 0 -0.10 0.70 8 10 0 0.60 1.10 8 10 0 -0.70 0.80 -8 10 0 0.70 0.80 -9 -10 0 -0.30 1.00 -9 10 0 2.00 0.80 -9 10 0 1.90 0.90 9 10 0 0.80 1.10 9 10 0 -0.80 1.00 -10 -10 0 10.90 1.60 -10 -10 0 12.70 1.80 10 10 0 8.90 1.40 10 10 0 10.00 1.80 -10 10 0 11.50 1.30 -10 10 0 9.80 1.20 -11 -10 0 232.68 6.20 -11 -10 0 231.68 6.90 11 10 0 232.58 6.10 -11 10 0 227.78 5.70 -11 10 0 232.58 5.50 -12 -10 0 -3.60 1.70 -12 -10 0 1.00 1.60 -12 10 0 -0.90 0.90 -12 10 0 -0.40 1.10 12 10 0 -0.90 1.30 -13 -10 0 69.89 4.80 -13 -10 0 74.49 4.10 13 10 0 68.59 3.90 13 10 0 72.29 3.60 -13 10 0 70.69 4.50 -13 10 0 75.09 3.50 -14 -10 0 -2.00 2.40 -14 10 0 2.90 1.30 14 10 0 2.30 1.60 -14 10 0 2.10 1.50 14 10 0 1.70 1.80 0 -11 0 -0.90 0.80 0 -11 0 -0.40 0.70 0 11 0 -0.40 0.70 0 11 0 -0.30 0.80 -1 -11 0 11.80 1.40 -1 -11 0 9.30 1.10 1 -11 0 11.60 1.30 1 11 0 9.00 1.20 -1 11 0 13.80 1.70 -1 11 0 13.20 1.40 1 11 0 10.80 1.10 2 -11 0 46.80 1.90 -2 -11 0 48.20 2.10 2 -11 0 45.60 1.80 -2 -11 0 46.90 2.40 2 11 0 48.80 2.50 -2 11 0 43.20 1.90 2 11 0 44.30 2.10 -2 11 0 45.90 2.30 3 -11 0 128.99 3.30 -3 -11 0 130.79 4.00 -3 -11 0 139.39 3.70 3 -11 0 132.39 3.30 -3 11 0 135.39 3.80 3 11 0 130.59 3.70 3 11 0 132.89 4.00 -3 11 0 130.19 3.50 -4 -11 0 27.60 2.30 -4 -11 0 29.60 2.00 4 -11 0 29.10 1.40 4 -11 0 28.30 1.50 4 11 0 28.50 2.20 4 11 0 28.40 1.90 -4 11 0 31.10 1.70 -4 11 0 30.90 2.00 5 -11 0 1.30 0.50 -5 -11 0 1.20 1.00 -5 -11 0 0.10 1.10 5 -11 0 1.20 0.60 5 11 0 1.00 1.10 5 11 0 0.70 0.80 -5 11 0 1.10 0.70 -5 11 0 1.10 0.90 -6 -11 0 17.10 2.20 6 -11 0 13.90 1.00 -6 -11 0 10.30 1.30 6 -11 0 13.10 1.10 -6 11 0 13.00 1.70 -6 11 0 9.00 1.00 6 11 0 12.30 1.50 6 11 0 13.50 1.80 7 -11 0 21.70 1.10 7 -11 0 21.20 1.00 -7 -11 0 14.50 1.70 -7 11 0 21.20 1.60 7 11 0 23.20 2.30 -7 11 0 22.10 1.90 7 11 0 18.90 1.90 8 -11 0 34.80 1.00 8 -11 0 35.10 1.00 8 11 0 39.30 2.60 8 11 0 35.50 2.40 -8 11 0 39.70 2.00 -9 -11 0 15.40 1.90 9 11 0 10.30 2.50 -9 11 0 13.40 1.80 -9 11 0 17.40 1.90 -10 -11 0 74.19 4.10 10 11 0 77.89 3.40 -10 11 0 73.69 2.80 -10 11 0 76.39 3.10 -11 -11 0 10.40 1.80 -11 -11 0 10.00 2.20 -11 11 0 15.20 2.00 11 11 0 10.70 2.00 11 11 0 11.90 1.70 -11 11 0 12.80 1.50 -12 -11 0 0.70 2.20 -12 -11 0 2.90 1.80 -12 11 0 1.60 1.30 -12 11 0 2.90 1.20 12 11 0 1.30 1.60 12 11 0 1.90 1.40 -13 -11 0 9.70 2.50 -13 -11 0 8.90 2.30 -13 11 0 7.30 1.40 13 11 0 6.50 1.70 13 11 0 8.40 2.00 -13 11 0 4.70 1.60 0 -12 0 48.40 2.10 0 -12 0 47.40 2.30 0 12 0 51.09 2.60 0 12 0 47.60 2.20 -1 -12 0 0.80 0.90 -1 -12 0 -0.50 0.80 1 -12 0 -0.40 0.70 -1 12 0 -0.50 0.70 1 12 0 -1.00 0.80 1 12 0 -0.60 0.90 -1 12 0 0.70 1.00 2 -12 0 3.80 0.90 2 -12 0 4.30 0.80 -2 -12 0 6.00 1.20 -2 -12 0 5.90 1.10 -2 12 0 4.40 0.90 2 12 0 3.80 1.20 2 12 0 3.70 1.00 -2 12 0 3.90 1.10 -3 -12 0 9.60 1.20 3 -12 0 7.50 0.90 -3 -12 0 9.10 1.40 3 -12 0 10.40 1.30 3 12 0 8.80 1.20 -3 12 0 7.40 1.00 3 12 0 8.90 1.40 -3 12 0 8.40 1.20 4 -12 0 6.70 0.80 -4 -12 0 4.40 1.30 -4 -12 0 3.00 1.30 4 -12 0 4.90 0.80 4 12 0 4.80 1.50 -4 12 0 5.40 0.90 -4 12 0 4.90 1.10 4 12 0 6.20 1.10 5 -12 0 181.58 4.00 -5 -12 0 183.38 5.20 -5 -12 0 181.18 4.80 5 -12 0 177.98 3.90 5 12 0 179.08 5.10 5 12 0 180.38 4.80 -5 12 0 177.98 4.40 -5 12 0 180.08 4.80 6 -12 0 1.90 0.60 -6 -12 0 1.50 1.30 6 -12 0 2.30 0.60 -6 -12 0 2.70 1.10 6 12 0 3.20 1.20 -6 12 0 2.00 1.00 -6 12 0 0.50 0.80 6 12 0 2.60 1.00 7 -12 0 8.60 0.90 7 -12 0 9.00 1.00 -7 12 0 9.80 1.30 7 12 0 5.30 1.40 -7 12 0 6.10 1.00 7 12 0 7.80 1.30 -8 -12 0 7.40 1.70 8 -12 0 9.10 0.60 8 -12 0 9.10 0.70 -8 12 0 8.40 1.10 8 12 0 8.40 1.50 -8 12 0 6.60 1.50 -9 -12 0 8.20 1.90 -9 12 0 7.80 1.20 9 12 0 6.20 1.30 -10 -12 0 1.90 1.50 -10 -12 0 -0.50 1.80 10 12 0 0.80 1.30 -10 12 0 3.70 1.10 10 12 0 0.70 1.60 -11 -12 0 29.50 4.00 -11 -12 0 35.90 3.40 11 12 0 34.00 3.00 -11 12 0 38.60 2.90 -11 12 0 36.10 2.40 11 12 0 33.60 3.30 -12 -12 0 -2.80 1.80 -12 -12 0 -3.60 2.30 -12 12 0 -0.50 1.20 -12 12 0 0.20 1.40 12 12 0 2.60 1.60 12 12 0 0.40 1.80 -13 -12 0 1.20 2.40 13 12 0 0.90 2.00 -13 12 0 3.10 1.40 -13 12 0 0.30 1.60 13 12 0 3.40 1.70 0 -13 0 -1.90 0.90 0 13 0 -2.20 1.10 0 13 0 -2.20 0.90 -1 -13 0 16.60 2.10 -1 -13 0 17.60 1.90 1 -13 0 18.40 1.70 -1 13 0 20.20 1.80 -1 13 0 20.40 2.30 1 13 0 12.80 1.30 -2 -13 0 -1.30 1.10 -2 -13 0 -1.90 0.90 2 -13 0 -0.60 0.70 2 13 0 -2.00 1.10 -2 13 0 -2.00 1.00 -2 13 0 -0.40 0.80 3 -13 0 186.08 4.30 3 -13 0 181.88 4.30 -3 -13 0 183.08 5.20 3 13 0 185.38 4.80 3 13 0 152.78 4.90 -3 13 0 188.68 5.10 -3 13 0 184.68 4.60 -4 -13 0 41.00 2.90 -4 -13 0 44.30 2.50 4 -13 0 48.00 1.90 4 -13 0 43.00 1.90 -4 13 0 45.20 2.60 4 13 0 40.60 2.40 -4 13 0 45.50 2.20 -5 -13 0 22.50 2.20 5 -13 0 19.00 1.40 -5 -13 0 22.10 2.50 5 -13 0 21.60 1.50 -5 13 0 24.30 1.90 -5 13 0 22.80 2.30 5 13 0 20.20 2.00 -6 -13 0 -1.40 1.00 6 -13 0 1.30 0.60 6 -13 0 0.80 0.60 6 13 0 -0.10 1.10 -6 13 0 4.10 2.10 -6 13 0 1.60 0.90 7 -13 0 5.50 0.70 7 -13 0 6.50 0.60 -7 -13 0 5.50 1.60 -7 13 0 4.80 1.00 7 13 0 4.10 1.20 -7 13 0 6.40 1.40 -8 -13 0 29.80 3.30 -8 13 0 32.50 2.20 8 13 0 26.60 2.50 8 13 0 33.20 3.70 -8 13 0 32.40 2.60 -9 -13 0 50.39 4.00 -9 13 0 51.99 2.50 9 13 0 54.59 3.20 -9 13 0 55.29 3.10 9 13 0 46.60 3.40 -10 -13 0 8.40 2.10 -10 -13 0 11.90 2.00 10 13 0 9.40 1.90 -10 13 0 9.90 1.60 10 13 0 10.70 1.80 -10 13 0 11.60 1.40 -11 -13 0 2.70 2.30 -11 -13 0 2.10 1.80 -11 13 0 7.60 1.40 11 13 0 5.90 2.00 11 13 0 4.40 1.70 -12 -13 0 3.30 2.40 -12 13 0 -1.70 1.20 12 13 0 -0.80 1.80 12 13 0 2.20 1.70 0 -14 0 2.80 1.20 0 -14 0 2.20 1.00 0 14 0 0.50 1.20 0 14 0 1.40 0.90 1 -14 0 163.88 4.20 -1 -14 0 159.18 4.30 -1 -14 0 153.68 4.60 -1 14 0 161.38 4.90 1 14 0 153.38 4.50 -1 14 0 154.78 4.40 1 14 0 155.98 5.00 -2 -14 0 8.10 1.30 -2 -14 0 9.70 1.60 2 -14 0 14.70 1.80 2 -14 0 13.70 1.70 -2 14 0 10.00 1.60 -2 14 0 8.00 1.20 2 14 0 9.10 1.50 2 14 0 8.10 1.30 -3 -14 0 20.80 2.50 3 -14 0 23.10 1.80 3 -14 0 23.10 1.80 -3 -14 0 20.30 2.20 -3 14 0 28.90 2.60 3 14 0 23.50 2.20 -3 14 0 19.40 1.90 -4 -14 0 9.70 1.40 -4 -14 0 8.50 1.60 4 -14 0 11.80 1.50 4 -14 0 8.50 1.00 -4 14 0 10.70 1.30 -4 14 0 8.40 1.40 5 -14 0 12.00 1.40 -5 -14 0 8.80 2.30 5 -14 0 13.40 1.40 5 14 0 12.70 1.50 -5 14 0 14.60 1.70 -5 14 0 9.70 1.20 6 -14 0 0.20 0.60 6 -14 0 0.10 0.70 -6 -14 0 0.10 1.50 6 14 0 0.30 1.10 -6 14 0 0.50 0.90 -6 14 0 0.10 1.30 7 -14 0 63.79 1.90 -7 -14 0 65.89 3.90 7 -14 0 61.39 1.80 -7 -14 0 68.69 3.40 7 14 0 63.49 3.20 -7 14 0 63.09 2.70 7 14 0 65.29 3.60 -7 14 0 64.79 3.30 -8 -14 0 2.70 1.60 -8 -14 0 4.20 1.90 8 14 0 2.00 1.70 8 14 0 2.70 1.20 -8 14 0 5.50 1.50 -8 14 0 2.80 1.00 -9 -14 0 8.20 2.20 -9 -14 0 1.90 1.70 -9 14 0 5.60 1.60 9 14 0 6.40 1.60 -9 14 0 6.80 1.60 9 14 0 2.90 1.70 -10 -14 0 26.90 3.40 -10 -14 0 20.80 2.70 10 14 0 27.30 3.10 -10 14 0 25.70 2.40 -10 14 0 25.70 3.20 10 14 0 23.10 2.50 -11 -14 0 19.50 2.80 -11 14 0 26.10 2.50 11 14 0 20.60 2.50 11 14 0 16.80 2.10 -11 14 0 28.30 2.70 0 -15 0 2.30 1.30 0 -15 0 1.40 1.40 0 15 0 1.20 1.20 0 15 0 0.00 1.50 -1 -15 0 133.69 4.10 1 -15 0 147.69 4.10 1 -15 0 145.19 4.20 -1 -15 0 136.69 4.50 -1 15 0 147.59 4.90 1 15 0 123.29 5.20 1 15 0 133.69 4.80 -1 15 0 138.89 4.20 2 -15 0 43.90 2.30 2 -15 0 46.50 2.40 -2 -15 0 41.60 2.90 -2 -15 0 46.90 2.70 2 15 0 35.60 3.00 -2 15 0 45.30 3.10 2 15 0 39.20 3.80 -2 15 0 45.00 2.50 3 -15 0 -0.60 0.90 -3 -15 0 -1.70 1.10 3 -15 0 -0.30 0.90 -3 -15 0 -1.10 1.40 3 15 0 1.00 1.00 -3 15 0 -0.70 1.40 -3 15 0 -0.70 1.00 4 -15 0 58.19 2.30 4 -15 0 56.39 2.30 -4 -15 0 56.09 3.50 4 15 0 51.69 2.90 -4 15 0 60.09 3.40 -4 15 0 60.59 2.70 5 -15 0 -0.80 0.70 5 -15 0 0.00 0.80 -5 -15 0 -0.80 1.50 5 15 0 0.40 1.10 -5 15 0 0.10 1.30 -5 15 0 0.40 1.00 -6 -15 0 -3.40 1.60 -6 -15 0 0.50 1.30 6 -15 0 1.80 0.70 6 -15 0 1.60 0.80 -6 15 0 0.60 1.00 6 15 0 1.50 1.60 6 15 0 1.90 1.30 -6 15 0 1.60 1.30 -7 -15 0 12.20 1.80 7 -15 0 12.50 1.20 7 -15 0 11.50 1.20 -7 -15 0 9.50 2.10 7 15 0 12.80 1.80 -7 15 0 11.30 1.80 7 15 0 13.50 2.10 -8 -15 0 3.50 1.60 -8 -15 0 5.60 2.20 8 15 0 7.50 1.90 8 15 0 6.90 1.60 -8 15 0 2.50 1.20 -8 15 0 4.50 1.70 -9 -15 0 57.09 4.50 -9 -15 0 40.50 3.60 9 15 0 48.60 4.00 9 15 0 47.70 3.50 -9 15 0 46.20 2.80 -9 15 0 47.30 3.60 -10 -15 0 78.39 5.50 -10 -15 0 73.99 5.20 -10 15 0 68.49 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2 21.90 2.90 13 12 -2 19.00 2.10 -12 -12 2 8.90 2.40 -12 -12 2 6.70 1.80 12 12 -2 4.60 1.50 -12 12 2 8.70 1.50 -12 12 2 7.40 1.20 12 12 -2 4.50 1.80 -11 -12 2 51.89 4.30 -11 -12 2 41.20 3.40 11 12 -2 44.60 3.40 11 12 -2 42.70 3.10 -11 12 2 50.69 2.40 -10 -12 2 14.30 1.90 -10 -12 2 12.30 2.20 -10 12 2 18.20 1.90 10 12 -2 12.30 1.60 -9 -12 2 28.90 3.30 -9 12 2 35.00 2.00 9 12 -2 30.80 2.50 -9 12 2 34.50 2.30 -8 -12 2 -0.20 1.50 -8 12 2 2.20 1.00 -8 12 2 0.80 0.80 8 12 -2 2.60 1.80 8 12 -2 -0.50 1.10 -7 -12 2 6.70 1.90 7 12 -2 2.00 1.00 7 12 -2 5.30 1.30 -7 12 2 5.10 1.10 -7 12 2 3.40 0.80 -6 -12 2 10.80 1.60 -6 12 2 10.80 1.20 6 12 -2 12.60 1.60 6 12 -2 9.20 1.30 -6 12 2 13.70 1.40 5 -12 -2 0.40 0.40 -5 -12 2 -2.10 1.10 5 -12 -2 0.70 0.40 -5 -12 2 -0.60 1.10 5 12 -2 -0.30 0.90 5 12 -2 0.70 1.20 -5 12 2 0.60 0.70 -5 12 2 -0.60 0.80 4 -12 -2 2.50 0.60 4 -12 -2 2.40 0.60 -4 -12 2 1.90 1.20 -4 12 2 2.50 0.80 4 12 -2 1.20 1.90 4 12 -2 3.80 1.00 -4 12 2 3.10 1.00 -3 -12 2 37.90 2.50 -3 -12 2 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0.50 0.60 -7 -4 3 0.60 0.50 -7 4 3 0.30 0.30 7 4 -3 0.40 0.50 -7 4 3 0.30 0.30 7 4 -3 0.10 0.40 -6 -4 3 338.37 6.80 -6 -4 3 339.87 6.60 6 4 -3 333.57 6.50 -6 4 3 332.17 6.10 6 4 -3 329.77 6.50 -6 4 3 328.87 6.10 -5 -4 3 84.59 2.40 -5 -4 3 86.69 2.20 -5 4 3 83.59 1.70 5 4 -3 84.59 2.20 5 4 -3 82.09 2.10 -5 4 3 85.49 1.70 -4 -4 3 0.10 0.50 -4 -4 3 -0.10 0.40 4 4 -3 0.00 0.40 4 4 -3 -0.10 0.30 -4 4 3 0.50 0.20 -3 -4 3 264.57 5.30 -3 -4 3 261.87 5.10 3 4 -3 261.37 5.10 -3 4 3 242.28 4.60 3 4 -3 263.07 5.20 -3 4 3 258.57 4.70 -2 -4 3 3.20 0.50 -2 -4 3 3.30 0.50 -2 4 3 4.10 0.40 -2 4 3 3.70 0.40 2 4 -3 3.70 0.40 2 4 -3 3.50 0.50 1 -4 -3 3.80 0.40 1 -4 -3 3.80 0.50 -1 -4 3 2.10 0.40 -1 -4 3 3.30 0.50 -1 4 3 3.10 0.40 1 4 -3 2.90 0.40 -1 4 3 4.30 0.40 1 4 -3 2.70 0.50 0 -4 3 36.50 1.20 0 -4 -3 37.90 1.10 0 -4 -3 37.10 1.20 0 4 -3 37.40 1.20 0 4 3 37.20 1.20 0 4 -3 38.30 1.30 0 4 3 37.60 1.10 -1 -4 -3 1357.36 24.60 -1 -4 -3 1389.66 24.40 1 -4 3 1392.46 24.50 1 -4 3 1401.26 24.50 -1 4 -3 1380.46 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1.60 4 -10 3 18.50 1.40 4 -10 3 19.90 1.40 -4 -10 -3 18.60 2.00 -4 10 -3 18.40 1.80 4 10 3 16.70 1.80 4 10 3 17.70 1.70 -4 10 -3 17.10 1.60 5 -10 3 43.80 1.90 5 -10 3 44.70 1.80 -5 -10 -3 39.90 2.60 -5 -10 -3 43.60 2.20 -5 10 -3 44.90 2.30 5 10 3 40.70 2.20 -5 10 -3 42.90 2.10 5 10 3 38.50 2.40 -6 -10 -3 166.18 4.90 -6 -10 -3 158.38 4.80 6 -10 3 164.88 3.90 6 -10 3 170.98 4.00 6 10 3 172.18 4.50 6 10 3 166.78 4.80 -6 10 -3 169.18 4.20 7 -10 3 27.30 1.60 -7 -10 -3 23.40 2.10 7 -10 3 32.40 1.70 -7 -10 -3 27.80 2.40 7 10 3 31.40 2.40 -7 10 -3 30.30 1.90 -7 10 -3 29.00 2.10 7 10 3 32.70 2.20 -8 -10 -3 10.50 2.70 8 -10 3 13.00 1.50 8 -10 3 10.90 1.30 8 10 3 7.70 1.40 -8 10 -3 13.20 1.70 -8 10 -3 8.70 1.30 8 10 3 12.90 1.50 9 -10 3 6.60 0.80 -9 -10 -3 2.60 1.40 9 -10 3 6.70 0.90 -9 10 -3 5.30 1.00 9 10 3 6.20 1.20 -9 10 -3 6.70 1.30 10 -10 3 1.10 0.70 10 -10 3 0.40 0.70 -10 -10 -3 0.10 1.50 -10 10 -3 0.60 0.90 -10 10 -3 0.50 1.20 10 10 3 1.30 1.30 11 -10 3 14.50 1.20 -11 -10 -3 8.20 1.90 11 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3.00 -8 -11 3 80.29 3.70 8 11 -3 79.89 3.30 -8 11 3 79.69 2.70 -8 11 3 75.79 2.40 8 11 -3 77.79 3.00 -7 -11 3 8.50 1.40 7 11 -3 10.90 1.50 7 11 -3 10.30 1.30 -7 11 3 11.60 1.50 -7 11 3 10.30 1.30 -6 -11 3 49.50 2.50 -6 -11 3 55.09 3.00 -6 11 3 53.19 2.00 6 11 -3 52.79 2.40 -6 11 3 50.39 2.20 6 11 -3 49.60 3.30 -5 -11 3 0.00 1.10 -5 -11 3 0.20 1.10 5 11 -3 -0.70 0.70 -5 11 3 -0.60 0.70 5 11 -3 -0.60 1.00 -5 11 3 -0.20 0.60 -4 -11 3 27.60 2.00 -4 -11 3 26.10 2.20 4 -11 -3 26.80 1.00 4 -11 -3 25.10 1.00 4 11 -3 26.70 2.20 -4 11 3 25.20 1.50 4 11 -3 25.90 1.80 -4 11 3 26.90 1.80 -3 -11 3 1.40 0.90 3 -11 -3 1.60 0.60 3 -11 -3 1.70 0.50 -3 -11 3 0.60 1.00 -3 11 3 0.50 0.80 3 11 -3 1.80 0.80 -3 11 3 1.80 0.70 3 11 -3 2.60 1.10 -2 -11 3 50.99 2.30 2 -11 -3 45.80 1.70 -2 -11 3 47.20 2.40 -2 11 3 46.20 1.90 2 11 -3 47.70 2.10 -2 11 3 46.60 2.30 2 11 -3 47.50 2.60 -1 -11 3 29.60 2.00 1 -11 -3 29.70 1.50 1 -11 -3 29.60 1.70 -1 -11 3 26.20 1.80 -1 11 3 27.70 1.90 1 11 -3 27.40 1.80 1 11 -3 30.00 2.20 -1 11 3 27.60 1.60 0 -11 -3 31.70 1.90 0 -11 3 33.70 1.90 0 -11 3 34.40 2.00 0 -11 -3 33.80 1.60 0 11 -3 36.70 2.30 0 11 3 34.30 2.10 0 11 -3 32.60 1.90 0 11 3 35.50 1.80 -1 -11 -3 13.80 1.70 -1 -11 -3 17.90 1.50 1 -11 3 15.00 1.70 1 -11 3 13.10 1.50 -1 11 -3 14.50 1.90 1 11 3 17.50 1.60 1 11 3 18.70 1.90 -1 11 -3 13.70 1.50 2 -11 3 7.20 1.00 2 -11 3 9.10 1.00 -2 -11 -3 5.30 1.10 -2 -11 -3 8.60 1.00 -2 11 -3 7.80 1.20 2 11 3 5.80 0.90 2 11 3 7.20 1.20 -2 11 -3 6.60 0.90 3 -11 3 28.80 1.80 -3 -11 -3 27.10 2.20 3 -11 3 28.60 1.70 -3 -11 -3 28.10 1.80 3 11 3 27.80 2.20 -3 11 -3 29.30 1.80 -3 11 -3 31.10 2.20 3 11 3 28.00 1.80 -4 -11 -3 303.17 7.10 4 -11 3 294.97 6.30 4 -11 3 292.67 6.30 -4 -11 -3 290.67 6.50 -4 11 -3 302.37 6.50 4 11 3 301.37 7.40 -4 11 -3 296.87 6.80 4 11 3 293.07 6.70 5 -11 3 90.19 2.80 5 -11 3 85.89 2.60 -5 -11 -3 89.79 3.50 5 11 3 79.09 3.30 -5 11 -3 89.39 2.90 5 11 3 86.69 3.10 -5 11 -3 86.59 3.20 -6 -11 -3 4.50 1.20 6 -11 3 2.70 0.80 6 -11 3 3.20 0.90 -6 -11 -3 4.00 1.40 6 11 3 4.10 1.30 -6 11 -3 1.90 0.90 -6 11 -3 4.20 1.20 6 11 3 5.90 1.10 7 -11 3 -0.50 0.70 -7 -11 -3 -0.80 1.10 -7 -11 -3 1.90 1.30 7 -11 3 -0.20 0.80 7 11 3 -0.30 1.10 7 11 3 -0.90 0.90 -7 11 -3 -0.50 0.80 8 -11 3 3.60 0.90 -8 -11 -3 1.50 1.40 8 -11 3 3.60 0.80 -8 11 -3 1.90 0.90 8 11 3 3.40 1.10 -8 11 -3 2.70 1.10 9 -11 3 43.50 1.80 9 -11 3 41.80 2.00 -9 -11 -3 44.80 3.50 -9 11 -3 42.30 2.70 9 11 3 41.70 2.80 -9 11 -3 42.50 2.50 -10 -11 -3 96.69 4.70 10 -11 3 89.49 2.50 10 -11 3 91.79 2.60 -10 11 -3 85.39 5.10 10 11 3 88.19 3.80 -10 11 -3 92.69 3.80 10 11 3 90.89 4.00 -11 -11 -3 5.30 1.70 11 -11 3 5.30 0.80 11 -11 3 4.80 0.70 -11 -11 -3 5.10 2.10 -11 11 -3 5.50 1.60 11 11 3 3.60 1.60 -11 11 -3 7.70 1.40 11 11 3 7.80 1.60 -12 -11 -3 19.60 2.30 -12 -11 -3 34.30 4.40 -12 11 -3 24.00 2.70 12 11 3 35.40 3.60 12 11 3 30.20 3.30 -12 11 -3 22.20 2.30 -13 -11 -3 2.10 2.40 13 11 3 4.10 2.10 13 11 3 5.80 1.90 -13 11 -3 3.60 1.60 -13 11 -3 4.20 1.80 -13 -12 3 3.40 2.50 -13 12 3 1.60 1.10 13 12 -3 2.60 1.60 13 12 -3 2.50 1.80 -13 12 3 3.50 1.40 -12 -12 3 33.40 4.20 -12 -12 3 32.80 3.50 -12 12 3 34.80 2.30 12 12 -3 33.80 3.40 12 12 -3 36.20 3.00 -11 -12 3 23.80 2.70 -11 -12 3 17.40 2.00 11 12 -3 20.20 2.60 -11 12 3 20.70 2.00 -10 -12 3 32.50 3.10 -10 -12 3 36.60 3.70 10 12 -3 33.00 2.60 -10 12 3 36.60 2.10 -9 -12 3 19.70 2.30 -9 12 3 27.30 1.80 9 12 -3 23.60 2.40 -9 12 3 24.90 2.10 -8 -12 3 23.30 2.90 -8 12 3 23.00 1.70 8 12 -3 20.90 2.50 -8 12 3 23.90 2.00 8 12 -3 23.10 2.30 -7 -12 3 3.70 1.70 7 12 -3 9.30 1.30 -7 12 3 6.80 1.10 7 12 -3 6.30 1.40 -7 12 3 7.00 0.90 -6 -12 3 5.70 1.40 6 12 -3 4.60 1.30 6 12 -3 5.40 1.10 -6 12 3 6.30 0.90 -6 12 3 6.90 1.10 5 -12 -3 13.50 0.70 -5 -12 3 11.40 1.40 -5 -12 3 11.70 1.50 5 -12 -3 13.40 0.60 -5 12 3 13.90 1.70 5 12 -3 13.30 1.80 -5 12 3 12.50 1.40 5 12 -3 11.20 1.50 4 -12 -3 29.50 1.20 -4 -12 3 28.40 2.60 -4 -12 3 31.90 2.50 4 -12 -3 27.50 1.20 -4 12 3 31.80 2.10 -4 12 3 28.20 1.70 4 12 -3 26.20 2.90 4 12 -3 29.10 2.00 3 -12 -3 19.50 1.30 -3 -12 3 20.50 1.90 3 -12 -3 22.70 1.20 -3 -12 3 23.80 2.30 -3 12 3 18.40 1.60 3 12 -3 20.60 2.20 -3 12 3 21.10 1.90 3 12 -3 16.90 1.80 2 -12 -3 0.70 0.60 -2 -12 3 1.50 1.10 -2 -12 3 -0.20 1.00 2 -12 -3 0.70 0.70 2 12 -3 0.50 1.10 -2 12 3 0.20 0.90 2 12 -3 -0.70 0.90 -2 12 3 1.20 0.70 -1 -12 3 1.00 1.00 1 -12 -3 0.10 0.80 -1 -12 3 -1.40 0.90 1 -12 -3 0.70 0.70 -1 12 3 0.50 0.70 -1 12 3 1.00 1.00 1 12 -3 0.70 1.10 1 12 -3 0.70 0.90 0 -12 3 5.10 1.10 0 -12 -3 4.20 1.10 0 -12 -3 5.60 0.90 0 12 3 3.90 1.10 0 12 -3 3.10 1.00 0 12 -3 4.70 1.30 0 12 3 3.70 0.90 1 -12 3 15.70 1.70 1 -12 3 13.70 1.80 -1 -12 -3 12.30 1.40 -1 -12 -3 19.30 1.70 -1 12 -3 12.90 1.50 1 12 3 15.50 1.60 1 12 3 18.50 1.70 -1 12 -3 13.20 1.70 -2 -12 -3 414.06 8.30 2 -12 3 413.06 8.40 2 -12 3 405.76 8.40 -2 -12 -3 414.06 8.80 2 12 3 390.56 8.80 2 12 3 398.06 8.50 -2 12 -3 406.76 8.50 -2 12 -3 402.96 8.90 -3 -12 -3 83.19 3.40 3 -12 3 85.79 2.80 3 -12 3 85.79 2.80 -3 -12 -3 87.79 2.90 -3 12 -3 83.89 3.30 3 12 3 79.69 3.00 -3 12 -3 84.19 2.90 3 12 3 77.09 4.60 4 -12 3 11.60 1.50 -4 -12 -3 9.70 2.00 -4 -12 -3 8.80 1.50 4 -12 3 12.30 1.60 4 12 3 10.10 1.30 -4 12 -3 10.30 1.60 -4 12 -3 10.40 1.20 4 12 3 8.30 1.40 -5 -12 -3 8.50 1.60 -5 -12 -3 7.40 1.20 5 -12 3 8.90 1.00 5 -12 3 8.70 1.00 -5 12 -3 7.40 1.10 5 12 3 6.80 1.20 -5 12 -3 6.30 1.70 -6 -12 -3 34.40 2.80 6 -12 3 32.10 1.90 6 -12 3 33.20 1.80 -6 -12 -3 31.70 2.40 -6 12 -3 34.60 2.10 -6 12 -3 34.50 2.50 6 12 3 29.80 2.90 7 -12 3 11.00 1.10 -7 -12 -3 11.70 1.70 7 -12 3 11.60 1.50 -7 12 -3 12.30 1.60 -7 12 -3 11.70 1.30 7 12 3 11.60 1.50 8 -12 3 18.30 1.60 -8 -12 -3 13.20 2.10 8 -12 3 17.80 1.70 -8 -12 -3 22.40 3.00 -8 12 -3 23.40 2.10 8 12 3 20.10 2.40 8 12 3 17.30 2.20 -9 -12 -3 8.50 1.70 9 -12 3 13.00 1.60 9 -12 3 13.20 1.40 -9 -12 -3 10.50 2.00 9 12 3 11.50 1.70 9 12 3 6.80 1.70 10 -12 3 2.30 0.80 -10 -12 -3 2.80 1.70 10 -12 3 1.60 0.70 -10 -12 -3 0.20 1.90 10 12 3 -0.30 1.40 10 12 3 0.70 1.50 -10 12 -3 2.60 1.20 -10 12 -3 1.70 1.40 -11 -12 -3 15.40 2.30 11 -12 3 13.50 1.30 11 -12 3 12.00 1.10 -11 -12 -3 6.70 2.30 -11 12 -3 11.30 1.60 -11 12 -3 9.40 1.70 11 12 3 12.60 2.00 11 12 3 11.10 1.90 -12 -12 -3 179.18 7.00 -12 12 -3 172.58 5.80 12 12 3 186.38 6.00 12 12 3 180.68 6.10 -12 12 -3 176.48 5.40 -12 -13 3 1.40 2.30 -12 -13 3 4.00 2.50 -12 13 3 3.80 1.20 12 13 -3 3.20 1.90 12 13 -3 4.70 1.50 -11 -13 3 -1.50 2.30 -11 -13 3 0.80 1.80 11 13 -3 -1.60 1.30 -11 13 3 -0.80 1.00 -11 13 3 1.80 1.30 11 13 -3 -1.70 1.70 -10 -13 3 7.20 2.10 -10 -13 3 1.80 1.70 10 13 -3 6.20 1.40 -10 13 3 4.80 1.50 10 13 -3 4.20 1.70 -10 13 3 8.10 1.20 -9 -13 3 63.49 4.00 -9 13 3 64.89 2.60 9 13 -3 64.79 3.20 -9 13 3 65.19 3.10 -8 -13 3 42.40 3.40 -8 13 3 39.70 2.10 -8 13 3 37.40 2.50 8 13 -3 37.50 2.60 -7 -13 3 18.00 2.00 -7 13 3 17.20 1.70 -7 13 3 20.00 2.10 7 13 -3 22.10 2.40 -6 -13 3 1.70 2.20 6 13 -3 2.00 1.20 -6 13 3 1.90 0.80 -6 13 3 1.90 1.00 6 13 -3 -0.10 1.20 5 -13 -3 0.00 0.30 5 -13 -3 0.30 0.40 -5 -13 3 -1.10 1.30 -5 13 3 -0.20 0.90 5 13 -3 -0.40 0.90 5 13 -3 -0.20 1.20 -5 13 3 -0.30 0.70 -4 -13 3 0.90 1.20 4 -13 -3 -0.30 0.50 4 -13 -3 0.00 0.50 -4 -13 3 -1.00 1.10 4 13 -3 -0.10 0.80 4 13 -3 0.20 1.20 -4 13 3 0.00 1.00 -4 13 3 0.50 0.70 -3 -13 3 6.20 1.20 -3 -13 3 10.20 1.50 3 -13 -3 10.80 1.20 3 -13 -3 10.20 1.20 -3 13 3 7.60 1.20 3 13 -3 9.10 1.30 -3 13 3 9.60 1.10 2 -13 -3 90.39 2.60 2 -13 -3 91.29 2.70 -2 -13 3 83.79 3.40 2 13 -3 88.49 3.20 -2 13 3 90.89 3.40 -2 13 3 88.89 2.90 2 13 -3 75.09 3.50 -1 -13 3 138.79 4.20 -1 -13 3 138.59 4.00 1 -13 -3 137.29 3.50 1 -13 -3 138.49 3.80 1 13 -3 133.09 4.00 -1 13 3 138.49 4.30 -1 13 3 139.99 3.90 1 13 -3 136.39 4.50 0 -13 -3 250.67 5.80 0 -13 3 240.98 5.80 0 -13 -3 245.38 5.50 0 13 -3 242.78 6.40 0 13 -3 246.68 5.90 0 13 3 244.48 6.20 0 13 3 239.68 5.80 1 -13 3 25.30 2.20 -1 -13 -3 23.90 2.30 -1 -13 -3 21.60 1.90 1 -13 3 26.10 2.10 -1 13 -3 26.20 2.60 -1 13 -3 26.10 2.00 1 13 3 21.70 2.00 -2 -13 -3 -0.40 0.90 2 -13 3 0.40 0.90 -2 -13 -3 -1.50 1.10 2 -13 3 0.20 0.90 2 13 3 -1.40 1.10 -2 13 -3 0.20 0.90 -2 13 -3 -0.50 1.10 2 13 3 0.30 1.00 3 -13 3 67.39 2.70 3 -13 3 65.99 2.60 -3 -13 -3 73.99 3.90 -3 -13 -3 60.99 3.10 3 13 3 63.69 3.20 -3 13 -3 69.39 3.20 3 13 3 64.09 2.80 -3 13 -3 69.59 2.80 4 -13 3 4.90 1.00 4 -13 3 2.60 0.90 -4 -13 -3 0.70 1.30 -4 -13 -3 1.90 1.10 -4 13 -3 3.60 1.30 4 13 3 3.60 1.10 -4 13 -3 3.10 0.90 5 -13 3 46.20 2.10 -5 -13 -3 49.90 3.20 5 -13 3 47.60 2.30 -5 -13 -3 50.29 2.70 -5 13 -3 50.79 2.50 -5 13 -3 50.99 3.00 6 -13 3 23.40 1.90 -6 -13 -3 21.60 2.90 6 -13 3 22.90 1.70 -6 13 -3 26.30 2.10 -6 13 -3 22.00 2.60 6 13 3 27.50 2.40 -7 -13 -3 12.50 2.10 7 -13 3 11.10 1.20 7 -13 3 9.40 1.00 -7 -13 -3 12.50 1.90 7 13 3 7.80 1.40 -7 13 -3 10.10 1.30 7 13 3 10.80 1.80 -7 13 -3 11.50 1.70 8 -13 3 1.70 0.90 -8 -13 -3 2.30 1.40 -8 -13 -3 4.10 1.90 8 -13 3 2.50 0.80 -8 13 -3 1.20 1.40 -8 13 -3 3.30 1.60 8 13 3 1.50 1.30 8 13 3 4.20 1.50 -9 -13 -3 76.59 3.90 -9 -13 -3 74.99 4.50 9 -13 3 73.19 2.40 9 -13 3 72.79 2.60 -9 13 -3 75.79 3.90 9 13 3 76.99 4.00 -9 13 -3 71.89 3.20 9 13 3 76.49 3.80 10 -13 3 20.40 1.60 -10 -13 -3 26.10 2.90 -10 -13 -3 19.00 2.30 10 -13 3 18.20 1.40 -10 13 -3 15.80 1.70 10 13 3 19.10 2.40 10 13 3 23.70 2.30 11 -13 3 16.90 1.30 -11 -13 -3 19.10 3.00 -11 -13 -3 19.40 3.20 -11 13 -3 17.60 2.00 11 13 3 20.50 2.30 11 13 3 18.30 2.50 -12 -13 -3 -1.60 2.60 -12 13 -3 1.70 1.50 12 13 3 1.50 2.20 12 13 3 0.80 1.90 -12 -14 3 5.10 2.60 -12 14 3 3.80 1.70 12 14 -3 3.40 1.70 12 14 -3 4.60 2.20 -11 -14 3 4.30 2.00 -11 -14 3 1.30 2.50 11 14 -3 1.70 1.50 -11 14 3 2.40 1.50 11 14 -3 -0.60 1.90 -11 14 3 5.00 1.20 -10 -14 3 20.10 2.70 -10 -14 3 21.90 2.40 10 14 -3 23.20 2.40 -10 14 3 30.10 2.90 10 14 -3 24.70 2.90 -10 14 3 27.10 2.20 -9 -14 3 18.20 2.60 -9 -14 3 20.00 2.30 9 14 -3 16.50 2.20 9 14 -3 22.30 2.70 -9 14 3 22.20 2.60 -9 14 3 22.60 2.00 -8 -14 3 10.10 2.10 -8 -14 3 8.70 2.50 8 14 -3 9.20 1.90 8 14 -3 9.80 1.60 -8 14 3 9.10 1.60 -8 14 3 9.50 1.20 -7 -14 3 -1.80 1.60 -7 14 3 0.30 0.90 7 14 -3 0.90 2.00 7 14 -3 -0.30 1.20 -6 -14 3 2.80 1.70 -6 14 3 4.00 1.50 -6 14 3 3.10 1.00 6 14 -3 2.70 1.20 5 -14 -3 8.30 0.80 -5 -14 3 8.40 1.70 5 -14 -3 8.00 0.80 5 14 -3 6.30 1.30 -5 14 3 8.30 1.40 -5 14 3 6.90 1.10 4 -14 -3 13.50 1.20 4 -14 -3 12.70 1.20 -4 -14 3 9.10 2.00 -4 14 3 14.30 1.70 -4 14 3 10.70 1.60 -3 -14 3 6.50 1.30 3 -14 -3 5.80 0.80 -3 -14 3 5.80 1.50 3 -14 -3 6.40 0.90 3 14 -3 5.00 1.20 -3 14 3 5.40 1.50 -3 14 3 6.40 1.10 -2 -14 3 0.30 1.10 -2 -14 3 -0.60 1.20 2 -14 -3 -0.30 0.80 2 -14 -3 -0.70 0.70 -2 14 3 -1.20 0.80 2 14 -3 -0.10 0.90 -1 -14 3 2.30 1.20 -1 -14 3 1.10 1.20 1 -14 -3 1.00 0.90 1 -14 -3 1.20 0.80 1 14 -3 3.30 1.10 -1 14 3 0.70 0.90 1 14 -3 -1.50 1.10 -1 14 3 0.00 1.20 0 -14 -3 8.80 1.30 0 -14 -3 9.70 1.10 0 -14 3 10.90 1.70 0 14 -3 13.40 1.80 0 14 3 10.40 1.60 0 14 -3 16.10 2.00 0 14 3 10.60 1.40 1 -14 3 64.29 2.90 -1 -14 -3 60.29 2.60 1 -14 3 63.99 2.90 -1 -14 -3 57.39 2.90 1 14 3 60.99 2.80 -1 14 -3 61.89 2.80 1 14 3 61.49 3.30 -1 14 -3 65.39 3.40 -2 -14 -3 6.00 1.50 -2 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0.50 -5 -2 -4 0.10 0.50 -5 -2 -4 0.80 0.60 5 2 4 -0.60 0.50 -5 2 -4 -0.10 0.50 5 2 4 -0.10 0.50 -5 2 -4 0.10 0.50 6 -2 4 50.69 1.80 6 -2 4 47.40 1.80 -6 -2 -4 53.09 1.90 -6 -2 -4 52.89 2.00 -6 2 -4 50.29 1.90 -6 2 -4 53.09 1.90 6 2 4 52.59 1.90 6 2 4 50.29 1.80 -7 -2 -4 -0.20 0.60 7 -2 4 -0.10 0.60 -7 -2 -4 0.70 0.70 7 -2 4 -0.10 0.50 7 2 4 0.50 0.60 -7 2 -4 -1.00 0.60 7 2 4 0.70 0.60 -7 2 -4 -0.70 0.60 -8 -2 -4 127.99 3.70 -8 -2 -4 137.89 3.60 8 -2 4 137.69 3.40 8 -2 4 134.79 3.40 -8 2 -4 134.59 3.60 8 2 4 136.29 3.60 8 2 4 130.29 3.50 -8 2 -4 139.89 3.60 -9 -2 -4 0.80 0.90 9 -2 4 -0.50 0.70 9 -2 4 1.20 0.70 -9 -2 -4 0.40 0.80 -9 2 -4 0.30 0.80 -9 2 -4 0.60 0.80 9 2 4 0.40 0.70 9 2 4 0.10 0.80 10 -2 4 187.58 4.50 -10 -2 -4 194.88 5.10 -10 -2 -4 187.88 4.90 10 -2 4 185.28 4.40 10 2 4 193.58 4.70 -10 2 -4 185.68 4.80 10 2 4 187.08 4.70 -11 -2 -4 29.70 2.40 11 -2 4 29.60 1.80 -11 -2 -4 27.10 2.50 11 -2 4 32.40 2.00 11 2 4 31.60 2.10 -11 2 -4 29.00 2.30 -11 2 -4 31.50 2.30 11 2 4 30.50 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1.70 -11 3 4 21.10 1.30 -11 3 4 20.10 1.40 11 3 -4 20.80 1.10 11 3 -4 20.60 1.10 -10 -3 4 0.40 0.70 -10 -3 4 0.30 0.80 10 3 -4 0.60 0.50 -10 3 4 0.00 0.50 -10 3 4 -0.10 0.50 10 3 -4 0.50 0.50 -9 -3 4 9.90 1.10 -9 -3 4 9.70 1.30 -9 3 4 12.80 1.00 9 3 -4 11.50 1.00 -9 3 4 12.90 0.90 9 3 -4 9.60 0.90 -8 -3 4 -0.40 0.50 -8 -3 4 -1.10 0.60 8 3 -4 -0.40 0.40 8 3 -4 0.10 0.40 -8 3 4 0.20 0.30 -8 3 4 0.60 0.30 -7 -3 4 5.50 0.70 -7 -3 4 4.70 0.60 -7 3 4 6.80 0.50 -7 3 4 7.50 0.50 7 3 -4 5.80 0.50 7 3 -4 6.20 0.80 -6 -3 4 57.49 1.70 -6 -3 4 58.39 1.90 -6 3 4 57.49 1.10 6 3 -4 57.39 1.60 6 3 -4 59.59 1.60 -5 -3 4 -0.10 0.40 -5 -3 4 -0.70 0.40 5 3 -4 0.00 0.40 5 3 -4 -0.50 0.30 -4 -3 4 275.37 5.40 -4 -3 4 270.67 5.50 4 3 -4 274.27 5.20 4 3 -4 279.97 5.40 -3 -3 4 18.10 1.00 -3 -3 4 19.50 0.90 3 3 -4 19.30 0.90 3 3 -4 19.30 0.80 -2 -3 4 1.90 0.40 -2 -3 4 2.40 0.40 2 3 -4 2.90 0.40 -2 3 4 3.00 0.30 -2 3 4 3.60 0.40 2 3 -4 2.50 0.50 -1 -3 4 40.50 1.30 1 -3 -4 41.50 1.00 1 -3 -4 41.10 1.00 -1 -3 4 40.00 1.20 -1 3 4 41.80 1.00 1 3 -4 40.70 1.20 1 3 -4 41.10 1.40 -1 3 4 40.60 1.10 0 -3 -4 550.54 9.90 0 -3 -4 527.15 9.70 0 -3 4 542.75 9.90 0 -3 4 545.45 10.00 0 3 -4 545.55 10.00 0 3 4 543.55 9.90 0 3 4 534.85 9.80 0 3 -4 546.35 9.90 1 -3 4 464.95 8.60 1 -3 4 468.25 8.60 -1 -3 -4 463.55 8.60 -1 -3 -4 461.15 8.50 1 3 4 456.85 8.50 1 3 4 464.55 8.60 -1 3 -4 458.25 8.60 -1 3 -4 464.75 8.60 2 -3 4 14.30 0.90 -2 -3 -4 12.50 1.00 2 -3 4 15.10 0.90 -2 -3 -4 12.40 0.80 2 3 4 13.60 0.90 2 3 4 12.40 0.90 -2 3 -4 14.90 0.90 -2 3 -4 13.90 0.90 -3 -3 -4 47.20 1.70 3 -3 4 47.20 1.50 3 -3 4 50.09 1.50 -3 -3 -4 45.70 1.50 3 3 4 47.20 1.60 3 3 4 46.30 1.50 -3 3 -4 47.80 1.60 -3 3 -4 43.70 1.50 4 -3 4 -0.40 0.40 4 -3 4 -0.90 0.40 -4 -3 -4 -0.10 0.50 -4 -3 -4 -0.30 0.40 -4 3 -4 -1.20 0.50 4 3 4 -0.30 0.50 -4 3 -4 -0.70 0.40 4 3 4 -0.80 0.40 -5 -3 -4 354.26 7.30 -5 -3 -4 362.96 7.20 5 -3 4 363.26 7.10 5 -3 4 365.16 7.10 5 3 4 359.16 7.20 -5 3 -4 365.06 7.20 -5 3 -4 366.66 7.20 5 3 4 358.56 7.20 -6 -3 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4.80 -12 3 -4 184.18 5.00 13 -3 4 50.89 2.30 -13 -3 -4 53.29 3.50 13 -3 4 53.29 2.40 -13 -3 -4 57.49 3.40 -13 3 -4 48.70 3.10 13 3 4 52.79 2.90 -13 3 -4 48.40 3.00 13 3 4 46.90 2.70 14 -3 4 6.20 1.20 -14 -3 -4 7.10 2.00 -14 -3 -4 6.90 1.70 14 -3 4 6.40 1.10 14 3 4 6.10 1.50 -14 3 -4 4.90 1.60 -14 3 -4 3.50 1.50 -15 -3 -4 1.00 2.00 15 -3 4 0.80 1.10 15 -3 4 0.10 1.00 -15 -3 -4 -0.20 2.10 -15 3 -4 -0.50 1.60 15 3 4 -2.40 1.50 15 3 4 2.60 1.50 -15 3 -4 -1.10 1.60 -16 -4 4 20.30 2.40 -16 -4 4 13.40 1.90 -16 4 4 13.30 1.60 -16 4 4 16.60 1.80 -15 -4 4 13.80 2.00 -15 -4 4 9.10 1.70 -15 4 4 7.70 1.30 -15 4 4 12.00 1.50 -14 -4 4 94.89 3.60 -14 4 4 91.79 3.10 -14 4 4 92.09 3.00 14 4 -4 87.09 2.10 14 4 -4 88.99 2.10 -13 -4 4 126.29 4.30 -13 -4 4 128.99 3.90 13 4 -4 126.29 2.90 -13 4 4 134.29 3.50 -13 4 4 129.69 3.50 13 4 -4 128.49 3.00 -12 -4 4 1.80 1.20 12 4 -4 2.80 0.60 12 4 -4 2.30 0.60 -12 4 4 2.10 0.70 -12 4 4 3.40 0.80 -11 -4 4 3.60 1.10 -11 -4 4 4.00 1.00 11 4 -4 3.90 0.70 11 4 -4 3.50 0.70 -11 4 4 4.50 0.70 -11 4 4 4.50 0.70 -10 -4 4 15.60 1.80 -10 -4 4 14.90 1.60 -10 4 4 14.50 1.10 -10 4 4 14.80 1.10 10 4 -4 16.40 1.20 10 4 -4 14.70 1.20 -9 -4 4 1.00 0.70 -9 -4 4 2.00 0.80 -9 4 4 1.60 0.40 9 4 -4 1.60 0.50 9 4 -4 1.80 0.60 -9 4 4 1.60 0.40 -8 -4 4 130.79 3.30 -8 -4 4 131.49 3.50 8 4 -4 129.99 3.00 -8 4 4 127.89 2.70 -8 4 4 131.19 2.70 8 4 -4 127.99 3.00 -7 -4 4 28.80 1.50 -7 -4 4 29.80 1.60 -7 4 4 31.90 0.90 7 4 -4 29.00 1.30 7 4 -4 31.30 1.30 -7 4 4 33.30 0.90 -6 -4 4 1.20 0.50 -6 -4 4 1.20 0.60 -6 4 4 1.90 0.20 6 4 -4 1.30 0.50 6 4 -4 1.60 0.50 -5 -4 4 11.20 1.00 -5 -4 4 9.70 1.10 5 4 -4 11.10 0.90 5 4 -4 11.20 1.00 -4 -4 4 142.09 3.20 -4 -4 4 148.19 3.40 4 4 -4 140.09 3.10 4 4 -4 141.39 3.20 -3 -4 4 50.49 1.70 -3 -4 4 50.49 1.50 3 4 -4 49.50 1.50 3 4 -4 52.09 1.60 -2 -4 4 576.24 10.60 -2 -4 4 571.14 10.70 -2 4 4 560.24 10.30 -2 4 4 576.84 10.20 2 4 -4 593.74 10.70 2 4 -4 576.64 10.50 -1 -4 4 57.59 1.60 1 -4 -4 57.79 1.40 1 -4 -4 57.49 1.30 -1 -4 4 57.39 1.70 1 4 -4 56.79 1.70 -1 4 4 57.19 1.40 -1 4 4 56.59 1.50 1 4 -4 56.49 1.60 0 -4 4 240.58 4.90 0 -4 -4 244.88 4.80 0 -4 -4 247.18 4.70 0 -4 4 251.77 4.90 0 4 4 249.28 4.90 0 4 -4 245.38 4.90 0 4 -4 245.28 5.00 0 4 4 246.18 4.70 1 -4 4 86.39 2.20 -1 -4 -4 84.69 2.00 -1 -4 -4 86.29 2.20 1 -4 4 88.69 2.20 -1 4 -4 88.69 2.20 1 4 4 86.59 2.10 1 4 4 85.39 2.20 2 -4 4 281.97 5.50 2 -4 4 278.47 5.50 -2 -4 -4 279.87 5.50 -2 -4 -4 276.17 5.60 -2 4 -4 275.47 5.50 2 4 4 280.67 5.60 -2 4 -4 278.07 5.50 2 4 4 276.67 5.50 -3 -4 -4 993.00 18.30 3 -4 4 1031.30 18.30 -3 -4 -4 1023.80 18.50 3 -4 4 1002.20 18.20 -3 4 -4 1010.30 18.30 -3 4 -4 1022.40 18.30 3 4 4 1012.40 18.30 3 4 4 1008.40 18.40 -4 -4 -4 16.90 1.30 -4 -4 -4 19.40 1.20 4 -4 4 18.00 1.10 4 -4 4 17.60 1.10 -4 4 -4 18.40 1.20 -4 4 -4 18.80 1.20 4 4 4 16.90 1.20 4 4 4 20.00 1.20 5 -4 4 230.98 4.80 5 -4 4 227.18 4.80 -5 -4 -4 235.98 4.90 -5 -4 -4 219.88 5.10 5 4 4 230.48 5.00 -5 4 -4 233.08 4.90 -5 4 -4 221.18 4.80 5 4 4 229.18 5.00 6 -4 4 0.10 0.50 -6 -4 -4 -0.80 0.70 6 -4 4 -0.70 0.50 -6 -4 -4 0.60 0.60 6 4 4 0.30 0.60 -6 4 -4 -0.10 0.60 6 4 4 0.40 0.60 -6 4 -4 0.10 0.60 -7 -4 -4 2.90 0.80 7 -4 4 2.10 0.60 -7 -4 -4 2.40 0.90 7 -4 4 2.80 0.70 -7 4 -4 2.20 0.70 7 4 4 2.70 0.80 7 4 4 2.20 0.70 -7 4 -4 3.50 0.80 -8 -4 -4 79.99 3.00 8 -4 4 78.69 2.50 -8 -4 -4 81.69 2.70 8 -4 4 80.89 2.40 -8 4 -4 83.69 2.70 8 4 4 79.49 2.70 -8 4 -4 79.39 2.60 8 4 4 79.49 2.70 9 -4 4 54.89 2.00 -9 -4 -4 52.49 2.70 -9 -4 -4 48.50 2.90 9 -4 4 50.69 2.10 9 4 4 51.99 2.30 -9 4 -4 51.49 2.40 -9 4 -4 52.79 2.30 9 4 4 53.49 2.40 10 -4 4 236.48 5.20 -10 -4 -4 238.68 6.10 -10 -4 -4 241.18 5.80 10 -4 4 236.78 5.20 -10 4 -4 212.98 6.10 10 4 4 233.58 5.60 -10 4 -4 228.98 5.60 10 4 4 239.08 5.70 11 -4 4 47.10 2.20 -11 -4 -4 37.00 4.50 11 -4 4 50.49 2.10 -11 -4 -4 45.60 2.70 -11 4 -4 42.40 2.50 11 4 4 41.40 2.40 -11 4 -4 47.80 2.50 11 4 4 46.10 2.60 -12 -4 -4 1.60 1.50 12 -4 4 1.70 0.80 -12 -4 -4 0.80 1.30 12 -4 4 0.40 0.90 12 4 4 1.10 1.00 12 4 4 0.50 1.10 -12 4 -4 1.50 1.20 13 -4 4 13.20 1.70 -13 -4 -4 9.20 1.70 13 -4 4 11.50 1.30 -13 -4 -4 12.50 2.10 -13 4 -4 9.30 1.60 -13 4 -4 10.80 1.60 13 4 4 10.00 1.50 14 -4 4 25.70 2.10 -14 -4 -4 18.40 2.40 -14 -4 -4 23.90 3.20 14 -4 4 27.50 2.00 -14 4 -4 25.90 2.30 -14 4 -4 25.90 3.00 14 4 4 27.10 2.70 -15 -4 -4 0.80 2.20 15 -4 4 0.30 1.00 15 -4 4 2.70 1.10 -15 4 -4 1.00 1.70 -15 4 -4 3.30 1.80 15 4 4 4.30 1.60 -16 -5 4 9.40 2.00 -16 -5 4 11.20 2.30 -16 5 4 8.90 1.50 -16 5 4 9.10 1.50 -15 -5 4 -1.30 1.40 -15 -5 4 -1.70 1.60 15 5 -4 0.40 0.60 -15 5 4 1.80 1.10 -15 5 4 0.60 1.10 15 5 -4 1.10 0.60 -14 -5 4 1.70 1.50 -14 -5 4 1.90 1.30 14 5 -4 1.50 0.70 -14 5 4 1.60 0.90 -14 5 4 0.10 0.90 14 5 -4 1.10 0.70 -13 -5 4 32.70 2.80 -13 -5 4 35.70 2.50 -13 5 4 35.00 1.90 -13 5 4 35.70 2.00 13 5 -4 31.60 1.70 13 5 -4 36.80 1.70 -12 -5 4 -0.30 1.10 -12 -5 4 -0.40 1.00 -12 5 4 0.30 0.70 12 5 -4 -0.50 0.60 -12 5 4 1.30 0.70 12 5 -4 -0.60 0.70 -11 -5 4 146.69 4.10 -11 -5 4 149.79 4.40 11 5 -4 144.19 3.50 -11 5 4 149.59 3.40 11 5 -4 150.08 3.60 -11 5 4 144.29 3.40 -10 -5 4 7.20 1.00 -10 -5 4 6.90 1.20 -10 5 4 11.40 1.00 10 5 -4 11.30 1.30 10 5 -4 8.90 0.90 -10 5 4 11.10 1.00 -9 -5 4 6.50 0.90 -9 -5 4 7.00 1.10 9 5 -4 10.50 1.30 -9 5 4 9.50 0.90 9 5 -4 7.30 0.80 -9 5 4 11.10 0.90 -8 -5 4 32.30 1.90 -8 -5 4 33.20 1.70 -8 5 4 35.60 1.10 8 5 -4 33.70 1.50 8 5 -4 34.00 1.50 -8 5 4 34.00 1.10 -7 -5 4 28.60 1.70 -7 -5 4 28.20 1.50 -7 5 4 27.50 0.90 7 5 -4 28.20 1.40 -7 5 4 29.50 0.90 7 5 -4 29.00 1.50 -6 -5 4 10.90 1.10 -6 -5 4 11.20 1.30 -6 5 4 11.90 0.50 -6 5 4 10.90 0.50 6 5 -4 11.30 1.00 6 5 -4 11.80 1.10 -5 -5 4 58.29 1.90 -5 -5 4 60.19 2.10 5 5 -4 55.19 1.80 -5 5 4 54.79 1.20 -5 5 4 58.79 1.20 5 5 -4 63.89 1.90 -4 -5 4 39.10 1.70 -4 -5 4 39.60 1.50 -4 5 4 40.00 1.00 4 5 -4 42.00 1.50 4 5 -4 42.00 1.60 -4 5 4 39.20 0.90 -3 -5 4 129.09 3.20 -3 -5 4 130.89 3.00 -3 5 4 130.59 2.60 -3 5 4 128.09 2.50 3 5 -4 134.39 3.20 3 5 -4 128.99 3.00 2 -5 -4 197.78 3.50 -2 -5 4 203.38 4.30 -2 -5 4 195.68 4.10 2 5 -4 195.68 4.30 -2 5 4 196.78 3.80 -2 5 4 195.38 3.90 2 5 -4 192.28 4.10 1 -5 -4 14.90 0.60 -1 -5 4 13.70 0.90 1 -5 -4 14.00 0.70 -1 -5 4 13.10 1.00 -1 5 4 15.20 0.70 -1 5 4 14.40 0.90 1 5 -4 13.50 1.10 1 5 -4 14.30 0.90 0 -5 4 472.85 8.90 0 -5 -4 469.15 8.80 0 -5 -4 462.15 8.60 0 5 4 468.55 8.70 0 5 -4 483.35 9.00 0 5 4 468.55 8.80 0 5 -4 465.95 8.80 1 -5 4 70.49 1.90 1 -5 4 69.69 2.00 -1 -5 -4 67.29 2.00 -1 -5 -4 68.69 1.80 1 5 4 69.39 1.90 -1 5 -4 71.39 1.90 1 5 4 66.49 2.00 -1 5 -4 69.39 2.00 2 -5 4 27.80 1.30 -2 -5 -4 30.40 1.20 -2 -5 -4 29.60 1.40 2 -5 4 28.10 1.20 2 5 4 30.40 1.30 -2 5 -4 31.80 1.30 2 5 4 30.60 1.40 -2 5 -4 29.10 1.40 -3 -5 -4 2.60 0.70 -3 -5 -4 3.80 0.60 3 -5 4 3.10 0.60 3 -5 4 3.40 0.60 3 5 4 2.80 0.60 -3 5 -4 3.30 0.60 3 5 4 3.60 0.70 -3 5 -4 2.80 0.60 4 -5 4 39.80 1.60 -4 -5 -4 42.00 1.80 -4 -5 -4 42.90 1.70 4 -5 4 43.00 1.50 4 5 4 43.70 1.60 -4 5 -4 40.30 1.60 4 5 4 42.10 1.80 -4 5 -4 39.20 1.60 -5 -5 -4 109.29 3.10 5 -5 4 108.29 2.70 5 -5 4 110.49 2.80 -5 -5 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143.99 5.10 12 -5 4 135.59 3.50 -12 -5 -4 135.89 4.50 12 -5 4 136.09 3.60 12 5 4 124.99 4.20 -12 5 -4 134.69 4.60 -12 5 -4 135.59 4.30 12 5 4 128.99 4.80 13 -5 4 47.10 2.10 13 -5 4 46.40 2.20 -13 -5 -4 42.20 3.30 -13 -5 -4 43.70 3.80 13 5 4 46.90 2.90 -13 5 -4 44.10 3.00 -13 5 -4 46.50 3.00 14 -5 4 3.30 0.90 -14 -5 -4 5.10 2.20 -14 -5 -4 1.60 1.80 14 -5 4 2.80 1.00 14 5 4 1.90 1.50 -14 5 -4 6.30 1.60 -14 5 -4 2.40 1.60 15 -5 4 1.20 0.90 -15 -5 -4 5.00 2.40 15 5 4 2.00 1.60 15 5 4 3.40 1.70 -15 5 -4 0.50 1.70 -16 -6 4 -3.70 2.00 -16 6 4 -0.40 1.30 -15 -6 4 9.90 2.20 -15 -6 4 14.10 1.90 -15 6 4 17.00 2.20 15 6 -4 13.90 1.60 15 6 -4 12.70 1.60 -15 6 4 11.50 1.40 -14 -6 4 4.30 1.50 -14 -6 4 5.20 1.70 -14 6 4 5.40 1.10 -14 6 4 6.00 1.10 14 6 -4 5.90 1.00 14 6 -4 5.70 1.00 -13 -6 4 30.00 3.70 -13 -6 4 35.10 2.70 13 6 -4 35.20 1.90 -13 6 4 36.30 1.90 -13 6 4 34.30 1.90 13 6 -4 33.00 1.90 -12 -6 4 6.30 1.20 -12 -6 4 7.40 1.40 12 6 -4 6.50 0.90 -12 6 4 6.50 0.90 12 6 -4 6.00 1.00 -12 6 4 7.00 0.90 -11 -6 4 0.10 1.00 -11 -6 4 2.00 1.20 -11 6 4 0.00 0.60 -11 6 4 -0.80 0.50 11 6 -4 -0.90 0.70 11 6 -4 0.40 0.70 -10 -6 4 5.70 1.10 -10 -6 4 3.80 1.20 -10 6 4 5.80 0.70 -10 6 4 5.90 0.70 10 6 -4 4.90 0.90 10 6 -4 5.70 0.90 -9 -6 4 85.49 3.20 -9 -6 4 94.99 3.00 -9 6 4 92.99 2.30 9 6 -4 90.89 2.70 9 6 -4 91.59 2.70 -9 6 4 91.39 2.20 -8 -6 4 33.80 2.10 -8 -6 4 33.10 1.80 -8 6 4 34.30 1.20 8 6 -4 34.00 1.70 -8 6 4 33.10 1.20 8 6 -4 34.80 1.60 -7 -6 4 60.39 2.40 -7 -6 4 56.09 2.10 7 6 -4 55.79 2.00 -7 6 4 57.19 1.40 7 6 -4 57.49 2.10 -7 6 4 58.39 1.50 -6 -6 4 0.20 0.70 -6 -6 4 -0.10 0.60 6 6 -4 -0.40 0.50 -6 6 4 0.40 0.30 -6 6 4 0.10 0.30 6 6 -4 -0.40 0.60 -5 -6 4 2.20 0.70 -5 -6 4 2.30 0.80 -5 6 4 3.00 0.30 5 6 -4 3.00 0.60 -5 6 4 2.60 0.30 5 6 -4 3.00 0.70 -4 -6 4 17.80 1.50 -4 -6 4 17.60 1.30 4 6 -4 20.90 1.40 4 6 -4 18.50 1.20 -4 6 4 19.70 0.90 -4 6 4 19.90 0.70 -3 -6 4 971.60 17.70 -3 -6 4 969.00 17.50 -3 6 4 924.71 17.00 3 6 -4 973.00 17.70 -3 6 4 956.00 17.10 3 6 -4 959.40 17.40 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38.60 3.30 13 7 4 34.80 3.00 14 -7 4 8.30 1.00 -14 -7 -4 6.30 2.30 14 -7 4 12.30 1.50 14 7 4 5.90 1.80 14 7 4 7.40 1.90 -14 7 -4 7.00 1.80 -14 7 -4 6.10 1.80 -15 -8 4 -0.30 1.80 -15 -8 4 3.30 2.20 15 8 -4 0.10 1.10 15 8 -4 1.30 1.20 -15 8 4 1.00 1.10 -15 8 4 0.00 1.20 -14 -8 4 1.00 1.80 -14 -8 4 0.40 1.50 -14 8 4 0.60 1.40 14 8 -4 1.50 1.10 14 8 -4 -0.40 1.20 -14 8 4 -0.40 1.00 -13 -8 4 63.39 3.40 -13 -8 4 60.29 3.80 13 8 -4 57.89 2.60 13 8 -4 55.19 2.70 -13 8 4 61.59 2.40 -13 8 4 59.69 2.50 -12 -8 4 -2.10 1.30 -12 -8 4 -0.90 1.30 -12 8 4 0.70 0.70 12 8 -4 0.20 0.90 -12 8 4 -0.30 0.70 12 8 -4 -0.60 1.00 -11 -8 4 12.80 1.50 -11 -8 4 12.60 1.70 11 8 -4 16.30 1.90 -11 8 4 16.60 1.40 -11 8 4 18.30 1.40 11 8 -4 15.30 1.70 -10 -8 4 19.40 2.40 -10 -8 4 19.50 2.20 -10 8 4 19.90 1.30 10 8 -4 19.60 1.70 10 8 -4 19.10 1.90 -10 8 4 20.30 1.30 -9 -8 4 2.10 1.30 -9 -8 4 2.10 1.20 -9 8 4 3.20 0.60 9 8 -4 1.70 0.80 -9 8 4 3.10 0.60 9 8 -4 3.40 1.00 -8 -8 4 0.30 1.00 -8 -8 4 0.70 0.90 -8 8 4 0.40 0.50 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4 28.80 2.00 -5 9 4 30.70 1.30 -5 9 4 32.30 1.50 5 9 -4 31.00 1.70 5 9 -4 32.70 2.00 -4 -9 4 24.90 1.70 -4 -9 4 24.80 1.90 -4 9 4 23.60 1.20 4 9 -4 23.90 1.60 4 9 -4 24.70 1.90 -4 9 4 25.40 1.40 3 -9 -4 0.90 0.30 -3 -9 4 -0.80 0.80 3 -9 -4 0.50 0.30 -3 -9 4 0.50 0.70 -3 9 4 -0.10 0.50 3 9 -4 0.60 0.80 3 9 -4 -0.50 0.60 -3 9 4 -0.10 0.60 -2 -9 4 30.50 1.70 -2 -9 4 22.70 1.80 2 -9 -4 26.50 1.10 -2 9 4 24.90 1.60 2 9 -4 27.30 1.90 -2 9 4 27.80 1.40 2 9 -4 26.80 1.60 -1 -9 4 190.38 4.60 -1 -9 4 194.58 4.50 1 -9 -4 190.88 4.00 1 -9 -4 191.68 4.20 1 9 -4 192.28 4.80 1 9 -4 192.88 4.50 -1 9 4 189.98 4.50 -1 9 4 188.28 4.20 0 -9 -4 11.50 1.30 0 -9 4 9.50 1.30 0 -9 -4 12.50 1.00 0 9 -4 9.80 1.20 0 9 -4 10.10 1.20 0 9 4 12.20 1.10 0 9 4 12.40 1.40 1 -9 4 43.00 1.90 -1 -9 -4 43.00 2.00 -1 -9 -4 44.70 1.70 1 -9 4 42.10 1.90 1 9 4 43.10 1.80 -1 9 -4 41.90 1.80 -1 9 -4 44.40 2.10 1 9 4 47.30 2.10 -2 -9 -4 0.30 0.80 2 -9 4 -0.30 0.70 -2 -9 -4 0.40 0.60 2 -9 4 -1.00 0.60 -2 9 -4 -0.70 0.60 -2 9 -4 1.40 0.80 2 9 4 -0.20 0.70 2 9 4 0.00 0.60 3 -9 4 15.60 1.40 -3 -9 -4 17.70 1.40 3 -9 4 16.50 1.40 -3 -9 -4 21.10 1.80 -3 9 -4 17.90 1.70 3 9 4 18.10 1.50 -3 9 -4 17.00 1.50 3 9 4 16.20 1.60 -4 -9 -4 2.00 0.80 4 -9 4 1.50 0.70 -4 -9 -4 0.70 0.90 4 -9 4 3.10 0.80 -4 9 -4 2.80 0.80 4 9 4 1.10 0.70 -4 9 -4 3.30 0.90 4 9 4 2.90 0.90 5 -9 4 25.40 1.60 5 -9 4 27.80 1.60 -5 -9 -4 21.70 2.10 -5 -9 -4 25.80 1.80 5 9 4 22.10 1.80 -5 9 -4 26.00 1.70 5 9 4 26.40 2.10 6 -9 4 4.10 0.80 -6 -9 -4 3.00 1.20 6 -9 4 3.50 0.80 -6 -9 -4 5.80 1.20 6 9 4 3.90 1.00 -6 9 -4 2.90 0.80 -6 9 -4 3.30 0.90 -7 -9 -4 103.99 3.90 7 -9 4 106.49 3.00 7 -9 4 107.39 3.10 -7 -9 -4 110.29 3.50 -7 9 -4 112.19 3.50 7 9 4 110.79 3.60 7 9 4 106.79 3.50 -7 9 -4 109.09 3.30 8 -9 4 47.90 2.10 -8 -9 -4 50.49 3.00 8 -9 4 49.99 2.00 8 9 4 50.39 2.60 -8 9 -4 46.90 2.50 -8 9 -4 49.80 2.30 8 9 4 51.49 2.80 9 -9 4 1.30 0.80 -9 -9 -4 0.70 1.50 9 -9 4 0.50 0.70 9 9 4 3.10 1.80 -9 9 -4 0.60 1.00 -9 9 -4 0.00 0.90 9 9 4 -0.90 0.90 -10 -9 -4 0.50 1.50 10 -9 4 1.80 0.80 10 -9 4 2.90 0.90 -10 9 -4 3.80 1.30 10 9 4 0.40 1.10 -10 9 -4 1.00 1.00 -11 -9 -4 -1.50 1.50 -11 -9 -4 -1.60 1.70 11 -9 4 0.60 0.70 11 -9 4 -0.40 0.80 11 9 4 -1.70 1.20 -11 9 -4 -0.40 1.10 11 9 4 -0.60 1.40 -11 9 -4 -1.40 1.20 12 -9 4 7.90 1.10 -12 -9 -4 7.30 1.90 12 -9 4 8.50 0.90 -12 -9 -4 7.90 2.30 12 9 4 7.20 1.60 12 9 4 8.10 1.80 -12 9 -4 8.60 1.50 -12 9 -4 8.60 1.70 13 -9 4 47.00 1.80 13 -9 4 44.60 1.90 -13 -9 -4 45.30 4.60 -13 -9 -4 50.29 6.00 13 9 4 48.10 3.60 -13 9 -4 45.50 3.60 13 9 4 44.80 3.80 -13 9 -4 35.70 3.10 -14 -10 4 0.50 1.90 -14 -10 4 -1.70 2.10 -14 10 4 -1.10 1.00 14 10 -4 -0.30 1.50 -14 10 4 -0.30 1.20 -13 -10 4 25.20 2.90 -13 -10 4 29.30 3.30 -13 10 4 33.20 2.10 13 10 -4 27.80 2.90 13 10 -4 31.90 2.70 -13 10 4 28.90 2.20 -12 -10 4 1.50 1.60 -12 -10 4 0.40 1.80 -12 10 4 3.10 0.90 12 10 -4 4.00 1.20 -12 10 4 3.30 0.90 12 10 -4 2.20 1.30 -11 -10 4 3.30 1.40 -11 -10 4 4.10 1.70 -11 10 4 4.30 0.90 -11 10 4 5.10 0.90 11 10 -4 4.30 1.30 11 10 -4 4.20 1.10 -10 -10 4 11.50 1.80 -10 -10 4 8.80 1.60 10 10 -4 9.40 1.40 -10 10 4 11.90 1.40 10 10 -4 8.10 1.20 -10 10 4 10.20 1.00 -9 -10 4 268.27 7.00 -9 -10 4 271.57 6.40 -9 10 4 253.57 5.50 -9 10 4 260.17 5.60 9 10 -4 266.67 6.20 -8 -10 4 2.70 1.30 -8 -10 4 3.20 1.20 8 10 -4 2.00 0.90 8 10 -4 0.60 1.00 -8 10 4 1.20 0.60 -7 -10 4 122.99 3.80 -7 -10 4 119.49 4.20 7 10 -4 123.39 3.60 -7 10 4 124.39 3.20 -7 10 4 121.39 3.00 7 10 -4 129.19 3.90 -6 -10 4 1.10 1.10 -6 -10 4 3.30 1.10 -6 10 4 1.40 0.70 6 10 -4 1.90 0.80 -6 10 4 0.90 0.60 6 10 -4 1.40 1.00 -5 -10 4 0.10 0.80 -5 -10 4 0.20 1.00 5 10 -4 0.10 0.80 5 10 -4 0.50 1.00 -5 10 4 0.00 0.50 -5 10 4 -0.50 0.60 -4 -10 4 -1.10 0.90 -4 -10 4 -1.30 0.80 4 -10 -4 -0.20 0.30 4 10 -4 -1.30 0.70 -4 10 4 -0.30 0.50 4 10 -4 -1.20 0.90 -4 10 4 0.00 0.70 -3 -10 4 147.39 4.20 -3 -10 4 151.78 3.90 3 -10 -4 146.39 3.10 3 -10 -4 146.69 3.10 -3 10 4 146.79 3.50 -3 10 4 143.59 3.80 3 10 -4 146.89 3.90 3 10 -4 156.48 4.30 2 -10 -4 37.30 1.30 -2 -10 4 38.40 2.20 -2 -10 4 35.60 1.90 -2 10 4 37.20 1.90 2 10 -4 34.30 1.80 2 10 -4 34.70 2.20 -2 10 4 35.00 1.60 1 -10 -4 18.60 1.40 -1 -10 4 20.60 1.80 -1 -10 4 16.10 1.50 1 -10 -4 17.60 1.10 -1 10 4 17.80 1.30 1 10 -4 16.90 1.80 1 10 -4 17.00 1.50 -1 10 4 15.70 1.60 0 -10 -4 0.30 0.50 0 -10 -4 0.60 0.70 0 -10 4 -1.00 0.70 0 10 4 0.30 0.70 0 10 -4 -1.10 0.60 0 10 -4 0.90 0.90 0 10 4 -0.30 0.60 1 -10 4 14.70 1.50 1 -10 4 12.90 1.20 -1 -10 -4 17.90 1.60 -1 -10 -4 16.00 1.30 1 10 4 19.50 1.70 -1 10 -4 15.30 1.50 1 10 4 16.20 1.40 -1 10 -4 14.50 1.70 2 -10 4 1.60 0.80 -2 -10 -4 1.90 0.70 -2 -10 -4 0.20 0.90 2 -10 4 2.00 0.80 2 10 4 2.20 0.90 -2 10 -4 1.20 0.80 -2 10 -4 0.50 0.70 2 10 4 1.40 0.70 -3 -10 -4 94.59 2.80 3 -10 4 89.19 2.70 -3 -10 -4 80.39 3.10 3 -10 4 87.29 2.70 3 10 4 87.99 2.90 3 10 4 87.39 3.10 -3 10 -4 88.09 3.10 -3 10 -4 89.29 2.80 4 -10 4 23.30 1.60 4 -10 4 22.30 1.60 -4 -10 -4 24.40 2.10 -4 -10 -4 21.60 1.70 -4 10 -4 23.90 1.70 -4 10 -4 20.20 1.90 4 10 4 24.40 1.80 4 10 4 21.00 2.00 -5 -10 -4 40.10 2.20 5 -10 4 40.90 2.00 5 -10 4 43.90 1.90 -5 -10 -4 38.50 2.60 -5 10 -4 41.80 2.40 5 10 4 40.40 2.20 -5 10 -4 40.10 2.10 -6 -10 -4 10.50 1.30 6 -10 4 10.80 1.40 6 -10 4 8.80 1.00 -6 -10 -4 9.90 1.50 6 10 4 10.00 1.30 -6 10 -4 9.70 1.10 6 10 4 11.70 1.40 -7 -10 -4 4.50 1.10 -7 -10 -4 5.30 1.50 7 -10 4 4.40 0.90 7 -10 4 4.30 0.80 -7 10 -4 4.20 1.00 7 10 4 3.90 1.20 -7 10 -4 4.00 1.20 7 10 4 4.50 1.10 8 -10 4 47.50 2.00 -8 -10 -4 40.50 3.20 8 -10 4 46.70 2.10 -8 10 -4 40.60 2.40 -8 10 -4 45.40 2.60 9 -10 4 0.80 0.90 -9 -10 -4 0.30 1.50 9 -10 4 1.20 0.80 9 10 4 -0.80 1.10 -9 10 -4 1.60 1.10 -9 10 -4 0.80 1.00 10 -10 4 11.10 1.10 -10 -10 -4 11.40 2.10 10 -10 4 11.00 1.40 10 10 4 9.60 1.60 10 10 4 12.60 1.80 -10 10 -4 10.30 1.50 -10 10 -4 11.20 1.60 11 -10 4 0.30 0.70 -11 -10 -4 -0.10 1.70 -11 -10 -4 -2.30 1.50 11 -10 4 0.50 0.90 -11 10 -4 0.40 1.20 -11 10 -4 2.20 1.50 11 10 4 -0.30 1.30 11 10 4 2.10 1.60 12 -10 4 1.60 0.80 -12 -10 -4 1.20 2.10 -12 -10 -4 3.40 1.80 12 -10 4 1.10 0.90 12 10 4 3.50 1.60 -12 10 -4 1.40 1.30 12 10 4 1.50 1.70 -12 10 -4 0.10 1.50 -13 -10 -4 24.50 3.00 13 -10 4 28.30 1.30 13 -10 4 31.00 1.40 13 10 4 30.80 3.50 -13 10 -4 35.00 3.60 13 10 4 24.00 2.50 -13 10 -4 29.80 3.10 -14 -11 4 3.00 2.50 -14 11 4 0.80 1.20 14 11 -4 3.30 1.60 -14 11 4 3.40 1.30 -13 -11 4 0.20 1.80 -13 -11 4 5.40 2.40 -13 11 4 2.00 1.20 13 11 -4 4.10 1.40 -13 11 4 1.60 1.00 -12 -11 4 0.10 1.90 -12 -11 4 0.90 1.70 12 11 -4 -1.00 1.20 -12 11 4 1.10 1.00 -12 11 4 0.30 0.90 12 11 -4 0.20 1.40 -11 -11 4 13.50 2.10 -11 -11 4 11.70 1.90 -11 11 4 16.10 1.70 -11 11 4 18.10 1.90 11 11 -4 9.00 1.50 -10 -11 4 116.99 4.20 -10 -11 4 121.29 4.80 10 11 -4 121.89 3.90 10 11 -4 119.79 4.10 -10 11 4 118.29 3.20 -9 -11 4 3.00 1.30 -9 -11 4 0.30 1.60 9 11 -4 0.80 0.90 -9 11 4 1.50 0.70 9 11 -4 2.70 1.30 -8 -11 4 12.20 1.60 -8 -11 4 11.80 1.80 -8 11 4 13.20 1.60 -8 11 4 11.50 1.40 8 11 -4 7.60 1.20 8 11 -4 11.70 1.50 -7 -11 4 39.80 2.50 -7 -11 4 46.10 2.90 7 11 -4 43.80 3.10 -7 11 4 46.10 1.90 7 11 -4 43.40 2.30 -7 11 4 51.19 2.10 -6 -11 4 5.20 1.20 -6 -11 4 4.90 1.40 6 11 -4 6.00 1.50 6 11 -4 5.90 1.00 -6 11 4 5.20 0.80 -6 11 4 4.50 0.90 -5 -11 4 112.99 3.90 -5 11 4 104.59 2.90 5 11 -4 111.29 3.40 5 11 -4 106.79 3.70 -5 11 4 105.29 3.20 -4 -11 4 21.70 2.20 4 -11 -4 24.20 0.80 -4 -11 4 25.70 2.00 4 -11 -4 23.80 0.80 4 11 -4 21.80 1.80 -4 11 4 24.00 1.80 4 11 -4 22.10 2.20 -4 11 4 23.90 1.50 -3 -11 4 22.40 1.90 -3 -11 4 22.50 2.10 3 -11 -4 23.40 1.10 3 -11 -4 22.40 1.10 -3 11 4 20.60 1.50 3 11 -4 23.80 2.10 3 11 -4 23.20 1.70 -3 11 4 23.00 1.80 -2 -11 4 -0.50 0.90 2 -11 -4 0.00 0.50 -2 -11 4 -1.60 0.90 2 11 -4 -1.10 0.90 -2 11 4 -0.30 0.60 -2 11 4 -1.60 0.80 2 11 -4 -0.10 0.80 -1 -11 4 84.29 3.00 -1 -11 4 78.69 2.80 1 -11 -4 83.19 2.60 1 -11 -4 84.69 2.30 -1 11 4 78.19 2.90 1 11 -4 83.09 2.80 1 11 -4 81.69 3.20 -1 11 4 81.29 2.60 0 -11 -4 151.58 3.60 0 -11 4 154.98 4.00 0 -11 -4 153.78 3.90 0 11 -4 148.09 4.30 0 11 4 154.68 4.20 0 11 4 149.88 3.80 0 11 -4 149.19 4.00 1 -11 4 359.56 7.50 -1 -11 -4 347.57 7.20 -1 -11 -4 353.26 7.60 1 -11 4 350.56 7.50 -1 11 -4 359.56 7.50 1 11 4 353.16 7.50 1 11 4 360.96 7.80 -1 11 -4 360.76 7.90 -2 -11 -4 27.90 2.10 2 -11 4 25.90 1.80 2 -11 4 26.70 1.90 -2 -11 -4 26.80 1.70 2 11 4 24.80 1.80 -2 11 -4 24.40 1.80 -2 11 -4 27.90 2.20 2 11 4 29.60 2.20 3 -11 4 18.30 1.70 -3 -11 -4 19.50 1.70 3 -11 4 17.60 1.70 -3 -11 -4 18.00 2.10 -3 11 -4 13.80 1.50 3 11 4 17.70 1.70 -3 11 -4 16.40 1.70 3 11 4 18.20 2.10 4 -11 4 4.10 0.90 -4 -11 -4 3.50 1.30 -4 -11 -4 5.90 1.10 4 -11 4 4.20 0.90 -4 11 -4 4.00 0.90 -4 11 -4 2.60 1.10 4 11 4 3.00 1.90 4 11 4 3.60 1.00 5 -11 4 -0.10 0.70 -5 -11 -4 -0.50 1.00 5 -11 4 0.30 0.80 -5 -11 -4 -0.20 1.10 5 11 4 0.10 0.90 -5 11 -4 -0.80 0.80 5 11 4 -1.00 0.90 -5 11 -4 -1.50 1.60 6 -11 4 0.20 0.70 -6 -11 -4 0.20 1.00 6 -11 4 -0.20 0.80 -6 -11 -4 0.10 1.20 -6 11 -4 0.40 0.80 6 11 4 -1.30 0.90 -6 11 -4 -0.40 1.10 7 -11 4 9.00 1.00 7 -11 4 10.40 1.10 -7 11 -4 10.40 1.30 -8 -11 -4 0.90 1.50 8 -11 4 0.40 0.80 8 -11 4 2.20 0.90 8 11 4 2.00 1.10 -8 11 -4 0.70 1.20 -8 11 -4 2.70 1.00 9 -11 4 1.00 0.90 -9 -11 -4 1.00 1.60 9 -11 4 1.60 0.80 -9 11 -4 2.40 1.30 9 11 4 1.90 1.20 9 11 4 1.40 1.40 -10 -11 -4 1.70 1.70 10 -11 4 1.70 0.80 -10 -11 -4 2.30 1.90 10 -11 4 3.70 1.00 -10 11 -4 1.60 1.10 -10 11 -4 2.60 1.40 10 11 4 5.10 1.60 10 11 4 5.00 1.70 11 -11 4 19.40 1.60 -11 -11 -4 21.30 2.40 11 -11 4 24.10 1.90 -11 -11 -4 21.50 2.80 11 11 4 17.40 2.00 -11 11 -4 23.50 3.10 11 11 4 18.90 2.30 -11 11 -4 25.10 2.60 -12 -11 -4 5.00 2.40 12 -11 4 4.60 0.90 12 -11 4 4.10 0.80 -12 11 -4 5.00 1.50 -12 11 -4 6.40 1.80 12 11 4 6.00 1.80 12 11 4 0.90 1.90 -13 -12 4 77.29 5.40 -13 -12 4 92.49 6.70 13 12 -4 80.39 3.90 13 12 -4 80.59 4.20 -13 12 4 82.89 3.10 -12 -12 4 -0.20 2.20 -12 12 4 1.20 1.00 12 12 -4 -0.80 1.30 12 12 -4 -0.60 1.90 -11 -12 4 7.60 1.80 -11 -12 4 11.00 2.30 -11 12 4 11.60 1.20 11 12 -4 12.30 1.60 -10 -12 4 -3.50 1.80 -10 -12 4 -2.30 1.50 -10 12 4 2.50 1.10 -10 12 4 0.00 0.80 10 12 -4 1.40 1.20 -9 -12 4 33.40 2.90 -9 -12 4 32.20 3.40 9 12 -4 22.40 3.00 -9 12 4 30.30 1.80 -9 12 4 32.00 2.10 -8 -12 4 37.40 3.10 -8 12 4 38.20 2.20 8 12 -4 38.20 2.80 -8 12 4 38.40 1.90 8 12 -4 39.50 2.50 -7 -12 4 13.30 2.90 -7 12 4 16.60 1.50 -7 12 4 16.30 1.80 7 12 -4 16.90 1.90 7 12 -4 16.10 1.80 -6 -12 4 -1.30 1.20 -6 12 4 0.00 0.70 -6 12 4 -0.10 0.80 6 12 -4 1.60 0.90 6 12 -4 0.40 1.20 -5 -12 4 1.80 1.20 -5 -12 4 2.70 1.30 5 12 -4 1.70 1.20 5 12 -4 2.70 1.00 -5 12 4 4.90 1.00 -5 12 4 3.30 0.80 4 -12 -4 3.60 0.40 -4 -12 4 4.90 1.30 -4 -12 4 2.90 1.10 4 -12 -4 3.50 0.40 4 12 -4 3.20 1.00 4 12 -4 2.80 1.20 -4 12 4 3.00 0.90 -4 12 4 3.60 0.80 -3 -12 4 47.10 2.70 3 -12 -4 47.50 1.60 -3 -12 4 38.20 3.80 3 -12 -4 44.30 1.60 -3 12 4 48.60 2.00 -3 12 4 48.80 2.40 3 12 -4 48.60 2.40 2 -12 -4 12.20 1.20 -2 -12 4 8.30 1.40 -2 -12 4 9.40 1.30 -2 12 4 7.60 1.10 -2 12 4 7.80 1.00 2 12 -4 10.10 1.20 2 12 -4 7.20 1.60 -1 -12 4 93.69 3.30 1 -12 -4 91.49 2.60 -1 -12 4 91.59 3.20 1 -12 -4 91.59 2.80 -1 12 4 89.19 2.90 1 12 -4 87.09 3.60 1 12 -4 87.29 3.10 -1 12 4 93.29 3.30 0 -12 -4 73.99 2.80 0 -12 -4 75.39 2.40 0 -12 4 73.09 2.80 0 12 -4 70.99 2.80 0 12 4 72.79 2.60 0 12 4 76.79 3.00 0 12 -4 67.49 3.30 1 -12 4 56.69 2.50 -1 -12 -4 53.39 2.60 1 -12 4 56.39 2.60 -1 -12 -4 54.69 2.20 -1 12 -4 56.49 3.00 1 12 4 49.70 2.40 -1 12 -4 51.59 2.50 1 12 4 58.99 2.80 -2 -12 -4 9.50 1.10 2 -12 4 16.00 1.80 -2 -12 -4 8.10 1.40 -2 12 -4 13.70 1.90 2 12 4 10.20 1.20 2 12 4 9.80 1.70 3 -12 4 32.40 2.10 3 -12 4 32.30 1.90 -3 -12 -4 32.40 2.10 -3 -12 -4 26.90 2.50 -3 12 -4 31.20 2.00 3 12 4 32.10 2.40 3 12 4 30.40 2.10 4 -12 4 39.60 2.20 4 -12 4 41.90 2.10 -4 -12 -4 28.10 3.50 -4 -12 -4 40.50 2.70 4 12 4 35.90 2.60 -4 12 -4 40.70 2.20 4 12 4 42.80 2.30 -4 12 -4 40.80 2.60 5 -12 4 -0.30 0.80 -5 -12 -4 -1.00 1.10 -5 -12 -4 1.50 1.10 5 -12 4 0.50 0.90 -5 12 -4 1.00 1.20 5 12 4 -0.20 1.00 -5 12 -4 -0.20 0.80 -6 -12 -4 -0.80 1.00 -6 -12 -4 2.40 1.50 6 -12 4 0.30 0.90 6 -12 4 0.10 0.80 -6 12 -4 -0.60 0.90 6 12 4 0.10 1.10 -6 12 -4 0.10 1.10 -7 -12 -4 9.70 1.80 7 -12 4 10.60 1.20 7 -12 4 9.30 1.10 -7 12 -4 10.40 1.30 7 12 4 12.90 1.60 -7 12 -4 8.60 1.60 8 -12 4 14.90 1.70 -8 -12 -4 13.10 2.10 8 -12 4 14.70 1.90 -8 -12 -4 13.00 1.80 8 12 4 17.40 2.00 8 12 4 13.60 1.70 9 -12 4 96.69 3.10 9 -12 4 98.79 2.90 -9 -12 -4 96.39 4.70 -9 -12 -4 97.29 4.10 9 12 4 99.99 4.30 9 12 4 96.99 4.00 -9 12 -4 104.99 3.70 -10 -12 -4 0.80 1.60 10 -12 4 4.00 0.90 -10 -12 -4 4.10 2.10 10 -12 4 2.70 1.00 10 12 4 2.20 1.70 -10 12 -4 4.50 1.30 -10 12 -4 6.20 1.70 10 12 4 2.60 1.60 11 -12 4 -0.30 0.70 11 -12 4 1.90 1.00 -11 -12 -4 7.60 2.30 -11 -12 -4 2.10 1.90 11 12 4 2.90 1.60 11 12 4 0.70 1.80 -11 12 -4 1.70 1.60 -11 12 -4 2.20 1.40 12 -12 4 10.50 1.20 -12 -12 -4 10.80 2.90 12 -12 4 11.50 1.40 -12 12 -4 9.40 2.00 -12 12 -4 9.80 1.70 12 12 4 10.80 2.20 12 12 4 9.00 2.10 -12 -13 4 -2.50 2.40 -12 -13 4 -2.20 2.00 -12 13 4 0.20 1.10 -12 13 4 -0.20 1.40 12 13 -4 1.40 1.50 12 13 -4 0.80 1.80 -11 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2 -13 -4 4.30 0.70 2 13 -4 3.00 1.20 2 13 -4 1.90 1.00 -2 13 4 2.80 0.80 -2 13 4 3.40 1.20 1 -13 -4 165.98 4.10 -1 -13 4 170.38 4.70 1 -13 -4 164.68 3.90 -1 -13 4 148.79 6.10 -1 13 4 162.28 4.70 1 13 -4 159.28 4.40 1 13 -4 137.79 4.70 -1 13 4 159.48 4.20 0 -13 -4 278.87 6.40 0 -13 4 278.97 6.70 0 -13 -4 279.67 6.00 0 13 4 273.67 6.40 0 13 -4 287.57 7.10 0 13 -4 283.67 6.50 0 13 4 274.27 6.90 1 -13 4 98.39 3.30 1 -13 4 102.69 3.40 -1 -13 -4 99.09 3.10 -1 -13 -4 93.99 3.50 1 13 4 94.59 4.10 -1 13 -4 103.19 3.40 1 13 4 98.79 3.30 -1 13 -4 102.29 3.90 -2 -13 -4 0.20 0.90 2 -13 4 1.00 0.90 -2 -13 -4 -1.90 1.10 2 -13 4 0.30 1.00 -2 13 -4 1.20 0.90 -2 13 -4 0.20 1.30 2 13 4 1.10 1.00 2 13 4 0.20 1.20 -3 -13 -4 3.70 1.90 3 -13 4 6.50 1.10 3 -13 4 7.30 1.20 -3 -13 -4 4.30 1.40 3 13 4 5.60 1.40 -3 13 -4 6.90 1.50 -3 13 -4 7.40 1.20 3 13 4 4.30 1.10 4 -13 4 1.20 1.00 4 -13 4 -0.40 0.90 -4 -13 -4 -0.50 1.20 -4 -13 -4 -1.00 1.10 4 13 4 0.30 1.00 4 13 4 1.10 1.10 -4 13 -4 -0.50 0.80 -4 13 -4 0.70 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5 86.49 2.00 2 6 -5 88.09 2.40 2 6 -5 87.99 2.60 -1 -6 5 110.49 2.80 1 -6 -5 107.89 2.30 -1 -6 5 108.79 2.90 1 -6 -5 109.19 2.50 1 6 -5 106.69 2.90 1 6 -5 109.19 2.70 -1 6 5 107.49 2.60 -1 6 5 108.09 2.50 0 -6 5 21.60 1.20 0 -6 -5 21.50 1.00 0 -6 -5 23.30 1.20 0 -6 5 20.30 1.30 0 6 5 21.70 1.20 0 6 -5 21.50 1.20 0 6 -5 22.20 1.40 0 6 5 20.50 1.10 1 -6 5 4.10 0.70 -1 -6 -5 4.00 0.60 1 -6 5 5.60 0.70 -1 -6 -5 6.40 0.90 1 6 5 6.00 0.70 1 6 5 6.70 0.90 -1 6 -5 5.00 0.70 -1 6 -5 5.10 0.70 -2 -6 -5 155.78 3.50 -2 -6 -5 155.28 3.80 2 -6 5 159.28 3.60 2 -6 5 157.88 3.60 -2 6 -5 157.08 3.60 2 6 5 156.08 3.70 2 6 5 157.28 3.60 3 -6 5 22.40 1.30 3 -6 5 20.80 1.30 -3 -6 -5 22.10 1.30 -3 -6 -5 22.90 1.60 -3 6 -5 22.20 1.30 3 6 5 23.90 1.50 -3 6 -5 18.90 1.40 3 6 5 24.00 1.40 4 -6 5 40.10 1.60 -4 -6 -5 35.10 1.90 -4 -6 -5 36.30 1.60 4 -6 5 37.20 1.70 4 6 5 35.80 1.80 4 6 5 37.20 1.70 -4 6 -5 38.20 1.70 -4 6 -5 35.80 1.80 5 -6 5 1.10 0.60 -5 -6 -5 0.70 0.80 -5 -6 -5 0.90 0.70 5 -6 5 0.40 0.60 -5 6 -5 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7 5 9.30 0.80 9 7 -5 7.30 1.00 9 7 -5 7.00 0.90 -9 7 5 8.30 0.90 -8 -7 5 112.79 3.70 -8 -7 5 113.49 3.40 -8 7 5 118.19 2.50 8 7 -5 112.99 3.10 8 7 -5 117.59 3.30 -8 7 5 113.69 2.50 -7 -7 5 77.19 2.60 -7 -7 5 75.19 2.90 -7 7 5 73.89 1.80 7 7 -5 75.99 2.50 -7 7 5 76.09 1.80 7 7 -5 72.39 2.40 -6 -7 5 10.50 1.20 -6 -7 5 11.50 1.40 6 7 -5 13.80 1.40 6 7 -5 13.00 1.30 -6 7 5 12.70 0.70 -6 7 5 12.50 0.80 -5 -7 5 23.60 1.80 -5 -7 5 22.90 1.50 5 7 -5 25.50 1.60 -5 7 5 21.40 0.90 -5 7 5 24.80 1.00 5 7 -5 23.20 1.40 -4 -7 5 313.67 6.50 -4 -7 5 315.17 6.80 -4 7 5 309.47 5.90 -4 7 5 320.27 6.10 4 7 -5 317.57 6.70 4 7 -5 312.77 6.40 -3 -7 5 4.40 0.80 -3 -7 5 4.80 0.80 3 7 -5 4.90 0.90 3 7 -5 3.90 0.70 -3 7 5 4.20 0.60 -3 7 5 4.50 0.50 -2 -7 5 89.49 2.50 -2 -7 5 84.29 2.70 2 -7 -5 86.19 1.90 -2 7 5 84.89 2.30 2 7 -5 84.59 2.70 2 7 -5 87.99 2.50 -2 7 5 84.89 2.10 -1 -7 5 82.49 2.40 1 -7 -5 82.99 2.10 1 -7 -5 85.69 2.00 -1 -7 5 83.09 2.60 1 7 -5 82.09 2.40 1 7 -5 83.19 2.60 -1 7 5 82.69 2.10 -1 7 5 83.99 2.30 0 -7 5 0.20 0.60 0 -7 -5 1.70 0.60 0 -7 -5 1.40 0.40 0 -7 5 1.40 0.60 0 7 -5 1.50 0.70 0 7 5 0.90 0.40 0 7 5 1.40 0.60 0 7 -5 1.10 0.50 -1 -7 -5 182.48 3.90 -1 -7 -5 182.48 4.20 1 -7 5 182.58 4.20 1 -7 5 189.78 4.20 -1 7 -5 181.28 4.30 1 7 5 178.58 4.00 -1 7 -5 183.68 4.10 1 7 5 182.68 4.20 2 -7 5 265.57 5.70 -2 -7 -5 270.27 5.60 -2 -7 -5 264.67 5.90 2 -7 5 279.97 5.80 -2 7 -5 277.77 5.70 2 7 5 277.87 5.70 2 7 5 273.97 5.90 -2 7 -5 272.67 5.90 3 -7 5 50.89 1.90 -3 -7 -5 52.69 2.20 -3 -7 -5 55.39 2.00 3 -7 5 52.79 1.90 3 7 5 58.39 2.20 3 7 5 52.69 2.00 -3 7 -5 51.69 1.90 4 -7 5 144.49 3.50 -4 -7 -5 145.99 3.60 -4 -7 -5 142.99 3.90 4 -7 5 147.99 3.60 -4 7 -5 140.39 3.70 4 7 5 145.39 3.70 -4 7 -5 142.19 3.60 4 7 5 146.19 3.80 -5 -7 -5 1.30 0.90 -5 -7 -5 1.50 0.80 5 -7 5 0.40 0.70 5 -7 5 1.50 0.70 -5 7 -5 1.00 0.70 5 7 5 1.90 0.90 5 7 5 0.30 0.70 -5 7 -5 1.00 0.70 6 -7 5 23.80 1.50 6 -7 5 26.30 1.60 -6 -7 -5 24.00 1.80 -6 -7 -5 24.10 2.00 -6 7 -5 25.40 1.80 -6 7 -5 24.50 1.70 6 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-7 -8 5 13.90 1.70 -7 8 5 12.10 0.90 -7 8 5 11.90 0.90 7 8 -5 12.60 1.60 7 8 -5 12.60 1.50 -6 -8 5 216.08 5.40 -6 -8 5 216.58 5.00 6 8 -5 212.38 5.10 6 8 -5 206.48 4.80 -6 8 5 214.58 4.30 -6 8 5 207.48 4.20 -5 -8 5 109.79 3.20 -5 -8 5 111.99 3.50 5 8 -5 116.79 3.30 -5 8 5 112.29 2.70 5 8 -5 110.79 3.10 -5 8 5 110.99 2.50 -4 -8 5 22.20 1.70 -4 -8 5 22.20 1.50 4 8 -5 25.30 1.50 -4 8 5 24.10 1.10 -4 8 5 24.40 1.30 4 8 -5 25.40 1.80 -3 -8 5 3.50 0.90 -3 -8 5 2.40 0.80 -3 8 5 2.90 0.50 3 8 -5 2.00 0.70 -3 8 5 2.90 0.60 3 8 -5 1.90 0.80 -2 -8 5 3.10 0.70 -2 -8 5 2.20 0.80 2 -8 -5 3.10 0.40 -2 8 5 3.30 0.50 2 8 -5 2.10 0.80 2 8 -5 2.60 0.70 -2 8 5 2.60 0.60 1 -8 -5 166.98 3.50 -1 -8 5 172.68 4.00 1 -8 -5 167.58 3.70 -1 -8 5 167.88 4.20 1 8 -5 170.38 4.00 -1 8 5 173.18 4.00 1 8 -5 171.28 4.30 -1 8 5 165.98 3.70 0 -8 5 27.90 1.60 0 -8 5 28.50 1.60 0 -8 -5 28.80 1.50 0 -8 -5 30.50 1.30 0 8 5 28.50 1.40 0 8 -5 28.70 1.80 0 8 5 33.00 1.60 0 8 -5 28.80 1.50 1 -8 5 4.60 0.80 -1 -8 -5 8.60 1.00 -1 -8 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-5 10.70 1.20 -1 10 5 13.40 1.50 1 10 -5 11.40 1.30 1 10 -5 11.70 1.20 -1 10 5 13.50 1.20 0 -10 5 268.07 5.90 0 -10 -5 273.57 5.50 0 -10 5 262.87 6.00 0 -10 -5 265.17 5.80 0 10 -5 270.87 6.00 0 10 -5 272.07 6.30 0 10 5 269.07 6.10 0 10 5 264.77 5.80 -1 -10 -5 66.89 2.60 1 -10 5 68.69 2.50 1 -10 5 66.59 2.50 -1 -10 -5 69.59 2.20 1 10 5 70.09 2.70 -1 10 -5 69.59 2.90 1 10 5 70.99 2.40 -1 10 -5 69.29 2.50 -2 -10 -5 7.50 1.10 2 -10 5 7.70 1.00 -2 -10 -5 7.90 0.90 2 -10 5 9.00 1.10 2 10 5 10.30 1.30 2 10 5 10.90 1.40 -2 10 -5 8.20 1.30 -2 10 -5 8.50 1.00 -3 -10 -5 7.90 1.20 -3 -10 -5 7.10 1.00 3 -10 5 5.60 0.90 3 -10 5 9.10 1.10 3 10 5 7.40 1.10 3 10 5 9.50 1.10 -3 10 -5 7.40 1.20 -3 10 -5 9.20 1.10 4 -10 5 -1.20 0.70 4 -10 5 -0.10 0.70 -4 -10 -5 -0.10 1.00 -4 -10 -5 -1.40 0.80 4 10 5 -0.20 1.00 -4 10 -5 -1.60 0.90 -4 10 -5 -0.40 0.80 4 10 5 -0.20 0.80 5 -10 5 64.79 2.50 5 -10 5 65.29 2.40 -5 -10 -5 60.89 3.00 -5 -10 -5 62.49 3.00 -5 10 -5 64.79 2.50 5 10 5 60.29 2.60 5 10 5 63.09 2.80 -6 -10 -5 30.00 2.20 -6 -10 -5 33.10 2.50 6 -10 5 27.70 1.80 6 -10 5 33.30 2.00 6 10 5 31.00 2.10 -6 10 -5 31.10 2.00 7 -10 5 38.70 2.00 7 -10 5 39.40 2.10 -7 -10 -5 37.80 2.80 -7 -10 -5 35.50 2.40 7 10 5 35.30 2.50 -7 10 -5 36.50 2.20 -7 10 -5 41.50 2.50 -8 -10 -5 8.70 1.70 8 -10 5 6.20 1.10 8 -10 5 7.00 1.00 8 10 5 7.40 1.40 -8 10 -5 9.40 1.40 -8 10 -5 7.90 1.20 9 -10 5 1.10 0.80 -9 -10 -5 -0.60 1.50 9 -10 5 1.40 1.00 9 10 5 0.50 1.40 9 10 5 0.70 1.10 -9 10 -5 -2.00 1.10 -10 -10 -5 8.30 2.00 10 -10 5 9.20 1.20 -10 -10 -5 10.30 1.80 10 -10 5 10.20 1.10 -10 10 -5 11.40 1.50 -10 10 -5 8.10 1.60 10 10 5 12.50 1.80 10 10 5 12.90 1.90 11 -10 5 13.40 1.70 11 -10 5 11.80 1.40 -11 -10 -5 8.80 1.90 -11 -10 -5 10.20 2.20 -11 10 -5 10.90 1.80 11 10 5 12.30 2.00 11 10 5 9.50 1.80 -11 10 -5 10.30 1.60 12 -10 5 84.39 2.80 12 -10 5 89.79 3.10 -12 -10 -5 77.39 4.50 -12 -10 -5 87.39 5.20 -12 10 -5 86.09 3.90 12 10 5 80.19 4.40 -12 10 -5 91.19 4.30 12 10 5 78.49 4.20 -13 -10 -5 -0.60 2.30 13 -10 5 0.00 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1.70 9 -11 5 0.70 0.90 -9 11 -5 0.30 1.10 9 11 5 -0.10 1.30 -9 11 -5 -0.70 1.30 9 11 5 1.50 1.50 10 -11 5 63.29 2.50 -10 -11 -5 67.99 4.40 10 -11 5 68.19 2.80 -10 -11 -5 63.79 3.60 10 11 5 66.79 3.60 -10 11 -5 62.49 3.20 -10 11 -5 65.09 3.60 10 11 5 67.39 3.80 -11 -11 -5 -1.10 1.80 -11 -11 -5 0.00 2.20 11 -11 5 0.50 0.90 11 -11 5 2.30 1.10 -11 11 -5 -0.30 1.40 11 11 5 -0.60 1.60 -11 11 -5 -0.70 1.60 11 11 5 -1.10 1.80 -12 -11 -5 -2.70 2.30 12 -11 5 4.10 1.20 12 -11 5 2.30 0.90 -12 11 -5 1.90 1.80 12 11 5 6.00 2.10 -12 11 -5 3.90 1.70 12 11 5 5.20 2.00 -13 -12 5 4.20 2.60 13 12 -5 0.60 1.50 13 12 -5 1.30 2.00 -13 12 5 0.80 1.00 -12 -12 5 22.30 2.80 -12 -12 5 15.10 2.10 12 12 -5 20.90 2.70 -12 12 5 25.20 2.00 -11 -12 5 2.20 1.70 -11 -12 5 -0.30 1.90 11 12 -5 0.40 1.20 -11 12 5 1.20 0.80 -11 12 5 -0.70 1.00 -10 -12 5 31.60 3.10 -10 -12 5 30.30 3.60 -10 12 5 27.10 1.80 10 12 -5 22.90 2.40 -10 12 5 25.70 2.10 -9 -12 5 -0.20 1.70 -9 -12 5 4.00 1.50 9 12 -5 2.70 1.90 -9 12 5 3.40 1.00 -9 12 5 4.10 0.80 9 12 -5 2.00 1.30 -8 -12 5 17.10 2.10 -8 -12 5 11.70 1.60 -8 12 5 14.90 1.50 -8 12 5 15.50 1.80 8 12 -5 16.30 2.10 8 12 -5 15.70 1.80 -7 12 5 17.10 1.50 -7 12 5 18.30 1.80 7 12 -5 17.20 2.00 7 12 -5 16.80 1.80 -6 -12 5 117.39 4.30 6 12 -5 116.09 3.70 -6 12 5 112.79 3.40 6 12 -5 117.89 4.10 -6 12 5 114.99 3.20 -5 -12 5 0.00 1.10 5 12 -5 3.60 1.20 5 12 -5 1.60 0.90 -5 12 5 2.20 0.70 -5 12 5 2.50 0.90 -4 -12 5 36.20 2.40 -4 -12 5 49.40 2.80 4 12 -5 51.79 2.90 -4 12 5 44.20 2.00 -4 12 5 49.60 2.40 4 12 -5 46.60 2.40 -3 -12 5 17.00 2.10 3 -12 -5 14.70 1.00 3 -12 -5 15.60 1.00 -3 -12 5 10.30 1.30 -3 12 5 14.60 1.50 3 12 -5 14.90 2.00 3 12 -5 16.40 1.70 -3 12 5 13.90 1.80 2 -12 -5 3.60 0.60 -2 -12 5 3.90 1.30 -2 12 5 3.40 1.00 2 12 -5 2.20 0.90 -2 12 5 3.60 0.80 -1 -12 5 245.08 5.90 1 -12 -5 246.28 5.20 -1 -12 5 255.27 6.10 1 -12 -5 241.08 5.50 -1 12 5 250.37 6.00 -1 12 5 247.58 5.60 1 12 -5 248.38 5.90 0 -12 -5 273.47 6.30 0 -12 5 284.37 6.40 0 -12 -5 280.97 5.90 0 -12 5 285.67 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12.20 1.50 -16 4 8 10.10 1.30 -15 -4 8 -0.90 1.30 -15 -4 8 2.70 1.70 -15 4 8 -1.20 1.00 -15 4 8 1.30 0.90 -14 -4 8 2.70 1.40 -14 -4 8 4.80 1.30 -14 4 8 4.70 0.90 -14 4 8 5.70 0.90 -13 -4 8 0.70 1.10 -13 -4 8 2.60 1.20 -13 4 8 1.50 0.70 -13 4 8 2.20 0.60 -12 -4 8 50.89 2.80 -12 -4 8 53.79 2.50 -12 4 8 51.59 1.60 -12 4 8 48.70 1.70 -11 -4 8 37.40 2.00 -11 -4 8 38.80 2.40 -11 4 8 33.90 1.20 -11 4 8 34.10 1.20 -10 -4 8 65.09 2.40 -10 -4 8 64.89 2.70 -10 4 8 66.19 1.50 -10 4 8 65.49 1.50 -9 -4 8 13.20 1.70 -9 -4 8 15.50 1.50 9 4 -8 14.50 0.70 9 4 -8 16.00 0.80 -8 -4 8 50.29 2.30 -8 -4 8 50.89 2.00 8 4 -8 52.19 1.50 8 4 -8 47.90 1.40 -7 -4 8 1.90 0.70 -7 -4 8 2.50 0.70 7 4 -8 2.50 0.40 7 4 -8 2.60 0.50 -6 -4 8 20.40 1.50 -6 -4 8 21.40 1.30 6 4 -8 23.10 1.00 6 4 -8 23.20 1.20 -5 -4 8 47.10 1.70 -5 -4 8 45.80 1.90 -5 4 8 46.30 1.00 5 4 -8 46.70 1.60 5 4 -8 46.00 1.50 -4 -4 8 164.78 4.00 -4 -4 8 170.88 3.80 4 4 -8 167.98 3.80 4 4 -8 171.88 3.60 -4 4 8 171.88 3.30 -4 4 8 164.98 3.20 -3 -4 8 57.59 2.00 -3 -4 8 56.29 1.80 -3 4 8 59.39 1.50 3 4 -8 57.99 1.70 3 4 -8 54.89 1.90 -3 4 8 57.19 1.40 2 -4 -8 0.30 0.30 -2 -4 8 0.00 0.50 2 4 -8 -0.50 0.60 2 4 -8 0.70 0.50 -2 4 8 1.00 0.40 -2 4 8 1.00 0.40 1 -4 -8 5.40 0.70 1 -4 -8 6.70 0.80 -1 -4 8 3.90 0.70 -1 -4 8 5.20 0.70 -1 4 8 5.30 0.60 -1 4 8 6.50 0.90 1 4 -8 5.40 0.60 1 4 -8 8.00 0.90 0 -4 -8 4.60 0.50 0 -4 8 3.90 0.60 0 -4 8 4.20 0.70 0 -4 -8 4.10 0.60 0 4 8 3.40 0.60 0 4 8 2.90 0.50 0 4 -8 3.30 0.70 0 4 -8 4.60 0.70 1 -4 8 96.79 2.70 -1 -4 -8 96.39 2.60 -1 -4 -8 94.59 2.50 1 -4 8 96.19 2.70 1 4 8 96.49 2.60 -1 4 -8 96.49 2.60 1 4 8 97.49 2.60 2 -4 8 27.60 1.50 -2 -4 -8 29.00 1.40 -2 -4 -8 25.60 1.50 2 -4 8 27.00 1.50 2 4 8 26.20 1.40 -2 4 -8 27.50 1.40 -2 4 -8 27.30 1.60 2 4 8 25.80 1.50 3 -4 8 441.56 8.80 -3 -4 -8 440.26 8.90 3 -4 8 431.86 8.70 -3 -4 -8 443.56 8.70 3 4 8 439.36 8.80 -3 4 -8 428.56 8.70 3 4 8 439.66 8.70 -3 4 -8 449.56 8.90 4 -4 8 0.00 0.70 -4 -4 -8 -0.30 0.70 4 -4 8 0.50 0.70 -4 -4 -8 -0.20 0.80 4 4 8 0.90 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1.90 12 -4 8 8.00 1.30 -12 -4 -8 7.90 2.00 -12 4 -8 7.70 1.80 12 4 8 4.80 1.50 12 4 8 8.50 1.90 -12 4 -8 4.20 1.60 -13 -4 -8 65.59 4.60 13 -4 8 65.79 3.20 -13 -4 -8 73.79 6.70 13 4 8 66.19 4.00 -13 4 -8 67.79 4.00 13 4 8 65.39 3.70 -13 4 -8 67.09 4.10 -15 -5 8 4.10 1.80 -15 -5 8 2.90 1.50 -15 5 8 4.60 1.10 -15 5 8 5.20 1.00 -14 -5 8 6.40 1.50 -14 5 8 9.30 0.90 -14 5 8 9.90 1.00 -13 -5 8 31.10 2.40 -13 -5 8 39.70 2.80 -13 5 8 33.00 1.50 -13 5 8 31.20 1.60 -12 -5 8 8.50 1.40 -12 -5 8 8.50 1.40 -12 5 8 10.50 1.00 -12 5 8 12.10 1.00 -11 -5 8 0.40 1.00 -11 -5 8 0.50 0.90 -11 5 8 0.00 0.40 -11 5 8 0.10 0.40 11 5 -8 -0.10 0.30 11 5 -8 0.00 0.30 -10 -5 8 10.20 1.10 -10 -5 8 7.80 1.20 10 5 -8 9.30 0.90 10 5 -8 8.40 0.80 -10 5 8 10.40 0.60 -10 5 8 9.70 0.60 -9 -5 8 -0.90 0.80 -9 -5 8 0.80 0.80 9 5 -8 -0.10 0.50 9 5 -8 -0.50 0.40 -8 -5 8 159.18 4.00 -8 -5 8 159.28 4.30 8 5 -8 163.78 3.60 8 5 -8 160.38 3.50 -7 -5 8 132.69 3.40 -7 -5 8 131.39 3.70 7 5 -8 132.59 3.10 7 5 -8 130.49 3.00 -6 -5 8 34.20 1.70 -6 -5 8 32.90 1.80 6 5 -8 31.80 1.50 6 5 -8 31.80 1.30 -5 -5 8 9.60 1.20 -5 -5 8 10.80 1.40 -5 5 8 11.60 0.60 -5 5 8 12.30 0.50 5 5 -8 12.80 1.20 5 5 -8 10.00 1.00 -4 -5 8 0.20 0.50 -4 -5 8 0.10 0.70 -4 5 8 0.30 0.30 -4 5 8 0.30 0.30 4 5 -8 0.10 0.60 4 5 -8 0.60 0.50 -3 -5 8 32.10 1.50 -3 -5 8 32.30 1.70 3 5 -8 32.90 1.40 -3 5 8 32.30 1.10 3 5 -8 32.40 1.60 -3 5 8 33.30 1.20 -2 -5 8 3.20 0.60 2 -5 -8 2.70 0.30 -2 5 8 3.40 0.50 2 5 -8 4.00 0.60 2 5 -8 2.80 0.70 -2 5 8 2.70 0.40 1 -5 -8 0.20 0.40 1 -5 -8 0.10 0.40 -1 -5 8 0.00 0.60 -1 -5 8 0.00 0.50 1 5 -8 0.40 0.50 -1 5 8 -0.30 0.40 -1 5 8 -0.20 0.50 1 5 -8 -0.40 0.60 0 -5 -8 51.89 1.70 0 -5 -8 51.89 1.60 0 -5 8 47.60 1.90 0 -5 8 50.79 1.90 0 5 8 54.19 1.80 0 5 -8 52.59 2.10 0 5 8 54.09 1.70 0 5 -8 50.69 1.80 1 -5 8 0.50 0.60 1 -5 8 0.40 0.60 -1 -5 -8 0.00 0.60 -1 -5 -8 0.10 0.50 -1 5 -8 0.90 0.60 -1 5 -8 -0.20 0.50 1 5 8 -0.30 0.50 1 5 8 0.50 0.60 2 -5 8 53.09 2.00 -2 -5 -8 52.19 2.10 -2 -5 -8 52.19 1.90 2 -5 8 52.49 2.00 -2 5 -8 52.79 2.20 2 5 8 50.79 1.90 -2 5 -8 53.49 2.00 2 5 8 52.89 2.00 3 -5 8 50.09 2.00 -3 -5 -8 50.29 2.20 -3 -5 -8 51.89 2.00 3 -5 8 51.99 2.10 -3 5 -8 52.69 2.10 -3 5 -8 52.09 2.20 3 5 8 53.19 2.20 3 5 8 51.99 2.10 4 -5 8 15.50 1.60 -4 -5 -8 19.50 1.60 4 -5 8 17.50 1.50 -4 -5 -8 16.20 1.70 -4 5 -8 18.50 1.60 4 5 8 16.30 1.60 -4 5 -8 17.00 1.70 4 5 8 14.00 1.50 -5 -5 -8 38.00 2.20 5 -5 8 36.90 1.90 5 -5 8 37.60 2.00 -5 -5 -8 39.90 2.00 5 5 8 37.90 2.00 5 5 8 37.60 2.10 -5 5 -8 36.10 2.00 -5 5 -8 35.10 2.10 -6 -5 -8 0.20 0.90 6 -5 8 -0.20 0.80 -6 -5 -8 0.70 0.90 6 -5 8 -0.10 0.80 6 5 8 -0.50 1.00 -6 5 -8 -0.70 0.80 -6 5 -8 1.40 0.90 6 5 8 0.20 0.80 7 -5 8 30.20 2.10 -7 -5 -8 34.70 2.40 7 -5 8 31.70 2.00 -7 -5 -8 36.70 2.30 -7 5 -8 38.20 2.40 -7 5 -8 33.80 2.10 7 5 8 38.90 2.40 7 5 8 32.70 2.20 8 -5 8 45.10 3.90 -8 -5 -8 55.49 3.00 8 -5 8 55.69 2.40 8 5 8 55.89 2.60 -8 5 -8 55.59 2.60 -8 5 -8 53.39 2.70 8 5 8 59.49 2.80 -9 -5 -8 -0.40 1.20 9 -5 8 0.20 1.00 9 -5 8 0.60 0.90 9 5 8 0.20 1.00 -9 5 -8 1.40 1.20 -9 5 -8 1.50 1.10 -10 -5 -8 44.30 3.30 10 -5 8 44.90 2.40 10 -5 8 48.10 2.70 -10 5 -8 42.10 2.90 -10 5 -8 43.70 2.80 10 5 8 42.10 2.70 11 -5 8 6.10 1.40 -11 -5 -8 7.50 1.70 -11 -5 -8 7.90 1.80 11 -5 8 5.70 1.40 11 5 8 5.50 1.60 -11 5 -8 6.90 1.60 11 5 8 6.90 1.50 -11 5 -8 8.50 1.60 12 -5 8 -0.50 1.20 12 -5 8 0.90 1.10 -12 -5 -8 -0.80 1.60 -12 -5 -8 3.70 2.00 -12 5 -8 0.40 1.50 12 5 8 -1.30 1.60 -12 5 -8 -0.60 1.60 12 5 8 3.40 1.50 -13 -5 -8 5.70 2.20 13 -5 8 5.00 1.40 13 5 8 3.00 1.70 -13 5 -8 6.00 2.00 -13 5 -8 4.30 1.80 13 5 8 2.10 2.00 -15 -6 8 37.80 3.20 -15 -6 8 41.50 3.90 -15 6 8 35.60 2.00 -15 6 8 35.40 2.10 -14 -6 8 6.10 1.80 -14 -6 8 -0.40 1.40 -14 6 8 2.40 0.80 -14 6 8 1.80 0.80 -13 -6 8 3.50 1.50 -13 -6 8 3.70 1.30 -13 6 8 4.10 0.70 -13 6 8 4.10 0.70 -12 -6 8 1.60 1.10 -12 -6 8 0.40 1.20 -12 6 8 0.60 0.50 -12 6 8 1.10 0.50 12 6 -8 0.00 0.50 12 6 -8 1.50 0.50 -11 -6 8 38.60 2.70 -11 -6 8 36.30 2.90 -11 6 8 39.10 1.20 11 6 -8 40.80 1.60 -11 6 8 38.60 1.20 11 6 -8 38.90 1.50 -10 -6 8 9.50 1.30 -10 -6 8 11.50 1.30 10 6 -8 11.30 1.20 -10 6 8 11.80 0.70 -10 6 8 12.50 0.60 10 6 -8 9.90 1.10 -9 -6 8 46.70 2.30 -9 -6 8 45.40 2.60 9 6 -8 46.60 1.80 9 6 -8 42.00 1.70 -8 -6 8 130.99 3.60 -8 -6 8 128.89 3.90 8 6 -8 126.99 3.20 8 6 -8 124.09 3.10 -7 -6 8 0.30 0.70 -7 -6 8 0.30 0.90 7 6 -8 1.00 0.70 7 6 -8 0.50 0.60 -6 -6 8 98.09 3.10 -6 -6 8 98.59 2.90 6 6 -8 98.29 2.80 -6 6 8 92.49 1.90 -6 6 8 94.99 2.00 6 6 -8 97.19 2.60 -5 -6 8 61.39 2.40 -5 -6 8 59.59 2.20 -5 6 8 60.99 1.40 -5 6 8 62.49 1.50 5 6 -8 61.09 2.20 5 6 -8 62.89 2.00 -4 -6 8 104.89 3.10 -4 -6 8 104.69 2.90 4 6 -8 105.99 3.00 -4 6 8 106.19 2.30 -4 6 8 106.69 2.40 4 6 -8 104.79 2.70 -3 -6 8 23.80 1.60 -3 -6 8 26.40 1.50 3 6 -8 27.40 1.40 3 6 -8 28.30 1.70 -3 6 8 26.90 1.20 -3 6 8 27.60 1.00 -2 -6 8 0.50 0.60 2 -6 -8 0.20 0.20 2 -6 -8 0.30 0.30 -2 6 8 0.30 0.50 -2 6 8 -0.20 0.40 2 6 -8 -0.50 0.70 2 6 -8 0.20 0.60 1 -6 -8 122.29 2.60 1 -6 -8 118.29 2.80 -1 -6 8 120.09 3.20 -1 -6 8 117.99 3.20 -1 6 8 122.49 2.90 1 6 -8 122.79 3.10 1 6 -8 115.19 3.30 -1 6 8 122.09 3.00 0 -6 8 -0.20 0.60 0 -6 -8 0.10 0.40 0 -6 -8 0.10 0.50 0 -6 8 -0.40 0.60 0 6 8 0.50 0.60 0 6 -8 0.10 0.60 0 6 8 -0.40 0.40 0 6 -8 0.50 0.70 1 -6 8 27.70 1.60 -1 -6 -8 24.60 1.30 -1 -6 -8 24.70 1.50 1 -6 8 25.20 1.60 -1 6 -8 28.10 1.70 1 6 8 26.50 1.50 -1 6 -8 26.90 1.60 1 6 8 25.00 1.40 -2 -6 -8 117.39 3.00 2 -6 8 116.99 3.20 -2 -6 -8 112.89 3.20 2 -6 8 112.79 3.20 2 6 8 112.19 3.10 2 6 8 116.79 3.20 -2 6 -8 114.09 3.20 -3 -6 -8 185.28 4.40 3 -6 8 187.88 4.50 3 -6 8 189.18 4.50 -3 -6 -8 185.48 4.70 -3 6 -8 194.28 4.70 3 6 8 190.98 4.50 3 6 8 187.28 4.60 -3 6 -8 187.38 4.50 -4 -6 -8 5.10 0.90 4 -6 8 4.40 0.90 -4 -6 -8 5.10 1.10 4 -6 8 4.60 0.90 -4 6 -8 3.60 0.90 4 6 8 3.40 0.90 4 6 8 5.30 0.90 -4 6 -8 6.70 1.00 5 -6 8 11.10 1.10 5 -6 8 13.80 1.60 -5 -6 -8 15.30 1.90 -5 -6 -8 10.60 1.20 5 6 8 14.70 1.60 5 6 8 12.10 1.30 -5 6 -8 13.30 1.60 -5 6 -8 11.90 1.30 -6 -6 -8 19.40 2.00 6 -6 8 20.80 1.80 6 -6 8 19.80 1.80 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-5.00 2.00 12 4 10 -1.80 1.70 -12 4 -10 5.30 1.80 12 4 10 -0.20 1.50 -12 4 -10 0.00 2.00 -15 -5 10 28.00 3.00 -15 -5 10 34.00 3.60 -15 5 10 25.50 1.70 -15 5 10 28.70 1.90 -14 -5 10 7.50 1.50 -14 5 10 8.90 0.80 -14 5 10 9.10 0.90 -13 -5 10 0.10 1.30 -13 -5 10 -1.20 1.20 -13 5 10 1.80 0.60 -13 5 10 1.90 0.60 -12 -5 10 4.30 1.30 -12 -5 10 3.00 1.10 -12 5 10 5.10 0.50 -12 5 10 4.40 0.50 -11 -5 10 0.40 1.00 -11 -5 10 2.40 1.20 -11 5 10 1.50 0.30 -10 -5 10 106.09 3.30 -10 -5 10 104.49 3.60 -9 -5 10 3.90 1.10 -9 -5 10 2.90 0.90 9 5 -10 3.70 0.50 9 5 -10 4.30 0.50 -8 -5 10 24.80 2.10 -8 -5 10 25.20 1.80 8 5 -10 25.70 1.20 8 5 -10 25.70 1.30 -7 -5 10 170.28 4.50 -7 -5 10 168.38 4.10 7 5 -10 171.08 3.80 7 5 -10 169.28 3.70 -6 -5 10 0.30 0.80 -6 -5 10 0.90 0.70 6 5 -10 1.20 0.60 -6 5 10 -0.20 0.30 -6 5 10 0.20 0.30 6 5 -10 0.60 0.50 -5 -5 10 3.90 0.80 -5 -5 10 3.80 0.90 -5 5 10 3.90 0.50 5 5 -10 6.60 0.70 5 5 -10 3.20 0.70 -5 5 10 4.80 0.60 -4 -5 10 0.40 0.70 -4 -5 10 0.70 0.70 -4 5 10 0.80 0.40 4 5 -10 1.20 0.50 4 5 -10 0.40 0.70 -4 5 10 0.30 0.40 -3 -5 10 44.10 1.90 -3 5 10 48.50 1.60 3 5 -10 49.30 1.80 -3 5 10 46.40 1.50 3 5 -10 47.90 2.10 -2 -5 10 74.69 2.40 -2 -5 10 78.89 2.60 2 -5 -10 74.39 1.70 -2 5 10 76.79 2.20 -2 5 10 73.19 2.10 2 5 -10 73.49 2.30 2 5 -10 76.79 2.60 -1 -5 10 9.40 1.00 1 -5 -10 11.50 0.90 1 -5 -10 10.00 1.00 -1 -5 10 10.90 1.40 1 5 -10 9.90 1.10 -1 5 10 11.60 1.20 1 5 -10 9.10 0.90 -1 5 10 10.70 1.10 0 -5 10 5.90 0.90 0 -5 10 6.10 0.90 0 -5 -10 8.30 0.90 0 -5 -10 6.80 0.70 0 5 10 7.40 0.80 0 5 -10 7.40 0.90 0 5 10 9.50 1.20 0 5 -10 7.60 1.00 1 -5 10 8.60 1.00 -1 -5 -10 10.40 1.30 1 -5 10 7.50 1.00 -1 -5 -10 10.10 1.20 1 5 10 11.30 1.30 -1 5 -10 7.90 0.90 1 5 10 8.70 0.90 -1 5 -10 11.00 1.20 -2 -5 -10 72.39 2.40 -2 -5 -10 72.09 2.60 2 -5 10 73.49 2.60 2 -5 10 72.59 2.50 2 5 10 74.29 2.60 -2 5 -10 75.09 2.70 -2 5 -10 71.49 2.50 2 5 10 73.19 2.50 3 -5 10 175.68 4.50 -3 -5 -10 174.98 4.30 3 -5 10 170.78 4.30 -3 -5 -10 174.68 4.50 -3 5 -10 171.48 4.60 3 5 10 172.38 4.30 3 5 10 170.58 4.40 -3 5 -10 171.98 4.40 4 -5 10 316.47 6.90 -4 -5 -10 313.77 7.10 4 -5 10 308.77 7.00 -4 -5 -10 325.37 6.90 -4 5 -10 312.27 7.00 4 5 10 319.37 7.00 4 5 10 322.77 7.00 -4 5 -10 325.47 7.20 -5 -5 -10 24.30 2.00 5 -5 10 22.80 1.90 -5 -5 -10 19.00 2.10 -5 5 -10 20.70 1.90 5 5 10 20.20 1.90 5 5 10 22.00 2.00 -5 5 -10 16.60 2.00 -6 -5 -10 13.70 1.50 -6 -5 -10 13.30 1.50 6 -5 10 14.70 2.00 6 -5 10 15.10 1.80 6 5 10 17.70 1.90 -6 5 -10 16.80 1.90 -7 -5 -10 39.20 3.50 7 -5 10 41.80 2.60 7 -5 10 45.90 2.40 8 -5 10 -0.50 1.00 -8 -5 -10 -1.00 1.30 -8 5 -10 -0.30 1.00 -8 5 -10 1.50 1.20 8 5 10 0.80 1.00 -9 -5 -10 33.80 2.80 -9 -5 -10 29.80 3.10 9 -5 10 38.00 2.40 9 5 10 34.50 2.70 -9 5 -10 33.30 2.70 -9 5 -10 39.20 3.00 9 5 10 36.10 2.90 10 -5 10 19.30 2.40 -10 -5 -10 22.80 3.00 -10 -5 -10 19.70 2.30 -10 5 -10 18.90 2.00 -10 5 -10 18.90 2.10 10 5 10 16.90 2.00 10 5 10 19.50 2.60 -11 -5 -10 2.50 1.90 -11 -5 -10 1.80 1.70 11 -5 10 1.00 1.60 11 -5 10 1.80 1.20 -11 5 -10 3.20 1.70 11 5 10 1.20 1.40 -11 5 -10 -1.00 1.50 11 5 10 1.90 1.70 12 -5 10 1.30 1.40 -12 -5 -10 -0.30 2.00 12 -5 10 0.70 1.80 12 5 10 -0.20 1.80 -12 5 -10 1.30 1.70 12 5 10 -1.00 1.60 -15 -6 10 13.20 2.20 -15 -6 10 7.80 1.80 -15 6 10 8.00 0.90 -15 6 10 7.60 1.00 -14 -6 10 0.00 1.50 -14 -6 10 -0.90 1.40 -14 6 10 -0.30 0.70 -14 6 10 0.70 0.60 -13 -6 10 31.70 3.30 -13 -6 10 34.20 2.70 -13 6 10 32.30 1.30 -13 6 10 35.80 1.40 -12 -6 10 66.29 3.10 -12 -6 10 68.09 3.50 -12 6 10 66.49 1.60 -12 6 10 65.19 1.60 -11 -6 10 0.60 1.30 -11 -6 10 0.50 1.00 11 6 -10 0.00 0.30 11 6 -10 0.20 0.40 -10 -6 10 110.59 3.80 -10 -6 10 110.89 3.90 10 6 -10 108.49 2.60 10 6 -10 106.59 2.50 -9 -6 10 2.20 1.20 -9 -6 10 1.10 0.90 9 6 -10 2.70 0.60 9 6 -10 1.50 0.60 -8 -6 10 2.40 0.90 -8 -6 10 2.60 1.10 8 6 -10 2.70 0.60 8 6 -10 2.60 0.70 -7 -6 10 139.19 3.80 -7 -6 10 138.69 4.10 7 6 -10 138.69 3.50 7 6 -10 136.59 3.30 -7 6 10 137.99 2.70 -7 6 10 138.39 2.60 -6 -6 10 85.29 2.70 -6 -6 10 81.99 3.00 6 6 -10 82.09 2.30 -6 6 10 77.89 1.80 -6 6 10 77.29 1.90 6 6 -10 81.39 2.60 -5 -6 10 163.38 4.30 -5 -6 10 161.08 4.10 5 6 -10 164.38 4.10 5 6 -10 161.28 3.80 -5 6 10 158.28 3.30 -5 6 10 162.68 3.40 -4 -6 10 0.30 0.80 -4 -6 10 1.00 0.90 4 6 -10 0.50 0.80 4 6 -10 0.90 0.60 -4 6 10 1.20 0.50 -4 6 10 1.50 0.40 -3 -6 10 -0.80 0.60 -3 6 10 0.50 0.50 3 6 -10 -0.40 0.80 3 6 -10 0.20 0.60 -3 6 10 0.20 0.40 2 -6 -10 17.40 0.80 -2 -6 10 17.80 1.60 -2 -6 10 17.30 1.70 -2 6 10 19.10 1.20 -2 6 10 16.70 1.30 2 6 -10 17.40 1.70 2 6 -10 19.30 1.40 -1 -6 10 26.00 1.70 1 -6 -10 25.30 1.30 1 -6 -10 24.80 1.10 -1 -6 10 22.90 1.70 -1 6 10 23.70 1.30 1 6 -10 21.90 1.50 1 6 -10 24.70 1.90 -1 6 10 28.80 1.50 0 -6 -10 110.69 2.80 0 -6 -10 107.89 3.00 0 -6 10 115.49 3.30 0 -6 10 114.79 3.30 0 6 -10 115.19 3.50 0 6 10 113.19 3.00 0 6 10 109.79 3.10 0 6 -10 109.29 3.10 -1 -6 -10 5.20 0.90 -1 -6 -10 5.40 0.80 1 -6 10 5.50 1.00 1 -6 10 4.50 0.90 -1 6 -10 6.10 1.00 -1 6 -10 5.20 1.00 1 6 10 4.00 0.80 1 6 10 5.40 0.90 2 -6 10 21.20 1.70 -2 -6 -10 17.50 1.50 -2 -6 -10 15.90 1.70 2 -6 10 16.70 1.70 2 6 10 21.00 1.70 2 6 10 17.50 1.60 -2 6 -10 20.10 1.70 3 -6 10 1.40 0.90 -3 -6 -10 -0.90 0.80 3 -6 10 -0.40 0.90 -3 -6 -10 -0.20 1.00 -3 6 -10 0.90 0.90 -3 6 -10 0.00 0.90 3 6 10 -1.80 0.70 3 6 10 -0.90 0.80 4 -6 10 89.49 4.70 4 -6 10 102.29 3.20 -4 -6 -10 103.89 3.50 -4 -6 -10 103.79 3.20 4 6 10 97.69 3.20 -4 6 -10 104.79 3.30 -4 6 -10 83.99 3.80 5 -6 10 62.39 2.70 -5 -6 -10 64.39 3.00 5 -6 10 65.29 2.80 -5 6 -10 63.89 2.70 5 6 10 66.79 2.70 -6 -6 -10 14.20 1.50 6 -6 10 14.90 1.80 6 -6 10 10.90 1.30 -6 -6 -10 18.00 2.20 6 6 10 17.30 1.90 -6 6 -10 12.40 1.40 7 -6 10 26.00 2.40 7 -6 10 27.20 2.10 -7 -6 -10 18.00 2.20 -7 6 -10 25.80 2.30 7 6 10 26.10 2.30 -8 -6 -10 0.70 1.30 8 -6 10 0.90 1.00 -8 -6 -10 -1.50 1.40 8 6 10 -0.20 1.10 -8 6 -10 1.70 1.20 8 6 10 2.20 1.30 -8 6 -10 0.90 1.20 -9 -6 -10 3.40 1.70 -9 -6 -10 2.50 1.40 9 -6 10 3.70 1.20 9 6 10 5.40 1.40 -9 6 -10 4.30 1.60 -9 6 -10 3.70 1.30 9 6 10 4.90 1.60 -10 -6 -10 1.80 1.70 -10 -6 -10 -1.10 1.60 10 -6 10 -0.10 1.20 10 -6 10 0.60 1.90 -10 6 -10 -2.20 1.50 10 6 10 -2.20 1.50 10 6 10 -0.90 1.40 -10 6 -10 0.10 1.40 11 -6 10 14.60 2.00 11 -6 10 18.70 1.80 -11 -6 -10 20.20 2.70 -11 -6 -10 17.20 2.20 -11 6 -10 19.00 2.20 -11 6 -10 25.20 3.30 11 6 10 19.30 2.20 11 6 10 16.90 2.20 12 -6 10 3.00 1.80 -12 -6 -10 4.60 2.30 12 -6 10 -1.20 1.30 -12 6 -10 -1.80 1.70 12 6 10 -1.20 1.80 12 6 10 -0.80 1.60 -15 -7 10 109.89 5.20 -15 -7 10 100.69 4.50 -15 7 10 97.29 2.70 -15 7 10 97.89 2.80 -14 -7 10 17.80 2.30 -14 -7 10 15.20 2.00 -14 7 10 18.20 1.30 -14 7 10 16.90 1.30 -13 -7 10 68.09 3.90 -13 -7 10 64.69 3.30 -13 7 10 59.59 1.80 -13 7 10 62.79 1.80 -12 -7 10 14.50 1.70 -12 -7 10 18.30 2.80 -12 7 10 14.40 0.90 12 7 -10 15.50 1.00 12 7 -10 14.00 1.00 -12 7 10 12.40 0.80 -11 -7 10 20.00 2.50 -11 -7 10 12.30 1.50 -11 7 10 15.60 0.60 11 7 -10 15.30 1.30 11 7 -10 13.40 1.20 -10 -7 10 0.70 1.00 -10 -7 10 1.20 1.30 10 7 -10 1.40 0.70 10 7 -10 1.50 0.70 -9 -7 10 37.30 2.60 9 7 -10 34.70 1.70 9 7 -10 35.80 1.80 -8 -7 10 94.89 3.70 -8 -7 10 100.99 3.30 8 7 -10 101.19 2.80 -8 7 10 103.39 2.10 8 7 -10 104.89 3.00 -8 7 10 98.59 2.00 -7 -7 10 286.27 6.80 -7 -7 10 280.77 6.40 7 7 -10 280.07 6.00 7 7 -10 289.57 6.20 -7 7 10 290.67 5.40 -7 7 10 280.87 5.30 -6 -7 10 1.20 0.90 -6 -7 10 0.80 1.10 -6 7 10 0.90 0.50 6 7 -10 1.90 0.70 -6 7 10 1.70 0.40 6 7 -10 1.40 0.90 -5 -7 10 31.50 2.00 -5 -7 10 31.70 2.20 -5 7 10 26.80 1.10 5 7 -10 33.40 2.10 -5 7 10 27.40 1.30 5 7 -10 35.00 1.70 -4 -7 10 9.90 1.10 -4 -7 10 9.90 1.20 4 7 -10 12.10 1.40 4 7 -10 10.10 1.20 -4 7 10 10.60 0.90 -4 7 10 11.70 1.10 -3 -7 10 37.10 2.00 3 7 -10 38.50 1.80 3 7 -10 36.90 2.20 -3 7 10 36.80 1.60 -3 7 10 33.10 1.40 2 -7 -10 17.80 0.70 -2 -7 10 19.80 1.70 2 -7 -10 18.30 0.80 -2 -7 10 17.00 1.80 -2 7 10 18.40 1.40 2 7 -10 19.30 1.50 -2 7 10 19.30 1.30 2 7 -10 20.70 1.90 -1 -7 10 14.10 1.70 1 -7 -10 17.00 1.00 -1 -7 10 17.40 1.70 1 -7 -10 14.90 1.20 -1 7 10 16.20 1.30 -1 7 10 18.00 1.50 1 7 -10 18.10 1.90 1 7 -10 16.80 1.50 0 -7 10 0.70 0.80 0 -7 -10 0.50 0.60 0 -7 10 0.30 0.80 0 -7 -10 -0.10 0.70 0 7 10 -0.30 0.70 0 7 -10 -0.30 0.90 0 7 10 -0.20 0.60 0 7 -10 1.30 0.80 -1 -7 -10 0.60 0.80 -1 -7 -10 0.60 0.70 1 -7 10 1.10 0.90 1 -7 10 1.10 0.90 1 7 10 0.90 0.70 -1 7 -10 0.90 0.80 1 7 10 0.80 0.80 -1 7 -10 1.10 1.00 2 -7 10 138.69 3.90 -2 -7 -10 137.29 3.90 2 -7 10 143.99 3.90 -2 -7 -10 143.89 3.60 2 7 10 137.09 3.80 -2 7 -10 139.09 4.10 -2 7 -10 140.49 3.90 2 7 10 144.89 3.90 -3 -7 -10 250.17 5.50 -3 -7 -10 238.28 5.80 3 -7 10 238.88 5.60 3 -7 10 221.58 6.30 3 7 10 237.28 5.60 -3 7 -10 237.18 5.60 3 7 10 246.38 5.80 -4 -7 -10 188.38 5.10 -4 -7 -10 188.08 4.70 4 -7 10 187.98 5.00 4 -7 10 183.88 4.80 -4 7 -10 176.08 4.70 4 7 10 186.58 4.80 4 7 10 183.88 4.90 -4 7 -10 184.58 5.10 -5 -7 -10 3.70 1.10 -5 -7 -10 2.80 1.30 5 -7 10 3.50 1.00 5 -7 10 3.40 1.20 -5 7 -10 3.40 1.10 5 7 10 0.60 0.90 5 7 10 4.20 1.00 -6 -7 -10 1.30 1.20 -6 -7 -10 3.30 1.20 6 -7 10 2.40 1.00 6 -7 10 1.40 1.10 -7 -7 -10 13.00 1.80 7 -7 10 9.70 1.40 7 -7 10 17.00 2.20 -7 7 -10 17.70 2.20 7 7 10 13.40 1.60 -8 -7 -10 3.20 1.60 8 -7 10 1.40 1.10 8 -7 10 -0.40 1.20 -8 -7 -10 1.10 1.40 -8 7 -10 1.10 1.40 -8 7 -10 1.90 1.30 8 7 10 3.20 1.40 8 7 10 2.20 1.20 -9 -7 -10 52.39 3.70 -9 -7 -10 42.80 3.20 9 -7 10 45.00 2.80 -9 7 -10 50.59 3.30 9 7 10 43.70 3.30 9 7 10 42.50 3.00 -9 7 -10 44.80 3.10 -10 -7 -10 5.30 1.70 -10 -7 -10 10.40 2.20 10 -7 10 7.70 1.80 10 -7 10 6.10 1.40 -10 7 -10 7.90 1.70 10 7 10 7.60 1.90 10 7 10 3.70 1.50 -10 7 -10 6.00 1.50 11 -7 10 6.30 1.80 -11 -7 -10 7.40 2.00 11 -7 10 8.30 1.50 -11 -7 -10 8.40 2.30 11 7 10 8.30 1.90 -11 7 -10 4.10 1.80 -11 7 -10 4.90 1.80 11 7 10 6.50 2.10 -12 -7 -10 -0.80 2.30 12 -7 10 1.10 1.40 12 -7 10 1.90 1.80 12 7 10 0.60 1.80 -12 7 -10 -0.60 1.70 -14 -8 10 1.40 1.90 -14 -8 10 2.40 1.70 -14 8 10 1.10 0.70 -14 8 10 2.70 0.70 -13 -8 10 15.90 2.10 -13 -8 10 12.70 1.80 -13 8 10 13.70 1.10 13 8 -10 13.40 1.20 -13 8 10 14.90 1.10 13 8 -10 13.20 1.20 -12 -8 10 11.00 1.60 -12 -8 10 9.60 1.80 -12 8 10 11.20 0.90 12 8 -10 9.60 0.90 -12 8 10 8.80 0.80 12 8 -10 11.10 1.50 -11 -8 10 28.70 2.60 -11 8 10 28.50 0.90 11 8 -10 28.70 1.80 -11 8 10 28.60 1.00 11 8 -10 28.50 1.70 -10 -8 10 31.70 2.50 -10 -8 10 29.10 2.70 10 8 -10 33.20 1.80 10 8 -10 33.30 2.00 -10 8 10 29.90 0.90 -9 -8 10 2.50 1.20 -9 -8 10 0.50 1.20 -9 8 10 1.80 0.30 9 8 -10 1.50 0.90 -9 8 10 1.40 0.40 9 8 -10 1.40 0.80 -8 -8 10 40.70 2.80 -8 -8 10 40.80 2.50 8 8 -10 40.40 2.20 -8 8 10 44.00 1.40 8 8 -10 41.60 2.00 -8 8 10 41.40 1.10 -7 -8 10 93.99 3.60 7 8 -10 95.09 3.10 7 8 -10 93.39 2.80 -7 8 10 93.79 2.30 -7 8 10 89.29 2.10 -6 -8 10 127.79 3.90 -6 -8 10 124.09 4.10 6 8 -10 127.59 3.40 -6 8 10 128.79 3.00 -6 8 10 124.39 2.80 6 8 -10 131.39 3.80 -5 -8 10 126.39 3.70 -5 -8 10 127.99 4.00 -5 8 10 126.89 2.90 5 8 -10 127.19 3.40 -5 8 10 126.19 3.00 5 8 -10 125.49 3.80 -4 -8 10 1.20 1.00 -4 -8 10 -0.20 0.90 4 8 -10 0.40 0.90 -4 8 10 1.00 0.50 4 8 -10 0.70 0.70 -4 8 10 0.40 0.60 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133.69 5.70 -6 10 12 134.79 3.40 6 10 -12 134.79 3.90 6 10 -12 114.19 6.20 -6 10 12 132.59 3.20 -5 -10 12 6.40 1.40 -5 10 12 4.30 0.80 -5 10 12 4.00 0.90 5 10 -12 5.20 1.80 5 10 -12 3.40 1.00 -4 -10 12 0.10 1.20 -4 10 12 0.30 0.80 4 10 -12 -0.80 1.20 -4 10 12 0.00 0.60 4 10 -12 0.70 0.90 -3 -10 12 8.10 2.10 -3 -10 12 11.30 1.60 3 10 -12 9.10 1.50 -3 10 12 13.20 1.40 3 10 -12 7.80 1.10 -3 10 12 9.90 1.10 -2 -10 12 0.80 1.80 -2 10 12 0.90 0.70 -2 10 12 1.20 0.90 2 10 -12 0.20 1.20 2 10 -12 1.00 0.90 1 -10 -12 208.68 4.30 1 -10 -12 201.98 4.50 -1 10 12 207.38 5.00 -1 10 12 207.68 5.30 1 10 -12 210.88 5.30 1 10 -12 210.18 5.90 0 -10 -12 26.70 2.00 0 -10 12 16.40 2.10 0 -10 -12 25.50 1.60 0 10 -12 21.80 2.40 0 10 12 25.00 2.20 0 10 12 25.30 2.00 0 10 -12 21.10 2.60 -1 -10 -12 6.20 1.00 -1 -10 -12 5.30 1.20 1 -10 12 4.70 1.30 -1 10 -12 4.90 1.40 1 10 12 8.10 1.30 1 10 12 6.00 1.10 -1 10 -12 1.50 1.70 -2 -10 -12 0.30 1.10 -2 -10 -12 2.00 0.90 2 -10 12 -2.70 1.10 2 10 12 1.60 1.10 -2 10 -12 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40.60 1.20 -8 -6 14 81.49 3.40 -8 -6 14 81.19 3.20 8 6 -14 75.69 2.20 -8 6 14 80.69 2.10 8 6 -14 77.59 2.30 -8 6 14 79.69 2.00 -7 -6 14 46.50 2.60 -7 -6 14 38.10 2.70 -7 6 14 44.90 1.60 7 6 -14 41.40 1.80 -7 6 14 44.80 1.60 7 6 -14 42.60 2.00 -6 -6 14 16.50 2.00 6 6 -14 15.30 1.50 -6 6 14 15.80 1.20 6 6 -14 13.20 1.80 -6 6 14 15.60 1.30 -5 -6 14 36.90 2.40 -5 -6 14 44.80 2.40 -5 6 14 41.70 1.80 5 6 -14 42.10 2.30 -5 6 14 42.10 1.70 5 6 -14 38.60 1.90 -4 -6 14 -1.40 0.90 -4 -6 14 -0.10 1.00 4 6 -14 0.00 0.70 -4 6 14 1.20 0.70 4 6 -14 -0.10 0.90 -4 6 14 -0.50 0.60 -3 -6 14 1.60 1.00 -3 -6 14 1.00 1.00 -3 6 14 1.50 0.70 3 6 -14 0.70 1.00 3 6 -14 1.30 0.80 -3 6 14 2.10 0.80 -2 -6 14 15.20 2.00 2 -6 -14 14.30 1.00 -2 -6 14 16.50 2.00 2 -6 -14 15.50 1.00 2 6 -14 13.40 1.70 2 6 -14 16.10 1.60 -2 6 14 16.20 1.60 -2 6 14 14.70 1.50 -1 -6 14 49.80 2.50 1 -6 -14 50.79 1.80 -1 -6 14 50.19 2.60 1 -6 -14 46.60 2.00 -1 6 14 49.80 2.20 1 6 -14 47.80 2.70 -1 6 14 50.49 2.30 1 6 -14 44.40 2.30 0 -6 -14 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4.10 1.70 7 6 14 3.10 1.70 -7 6 -14 6.20 1.60 -8 -6 -14 13.70 2.00 8 -6 14 15.10 2.10 -8 -6 -14 11.20 2.20 8 -6 14 14.00 1.90 -8 6 -14 17.20 2.40 8 6 14 12.60 1.90 8 6 14 12.70 2.20 -8 6 -14 15.00 2.10 -9 -6 -14 13.30 2.20 9 -6 14 11.10 1.90 9 -6 14 13.30 2.10 -9 -6 -14 13.90 2.50 9 6 14 11.30 2.00 -9 6 -14 10.30 2.20 -13 -7 14 8.20 2.00 -13 -7 14 6.80 1.80 -12 -7 14 1.00 1.50 -12 -7 14 -0.30 1.60 -11 -7 14 74.89 3.50 -11 -7 14 68.59 3.80 -10 -7 14 1.50 1.40 10 7 -14 -0.60 0.40 10 7 -14 0.10 0.40 -10 7 14 -0.70 0.40 -10 7 14 -0.20 0.30 -9 -7 14 9.80 1.50 -9 -7 14 7.50 1.50 9 7 -14 7.10 0.80 -9 7 14 8.70 0.80 -9 7 14 7.80 1.00 9 7 -14 7.10 0.90 -8 -7 14 1.70 1.20 -8 -7 14 2.40 1.20 8 7 -14 2.60 0.80 8 7 -14 3.10 0.90 -8 7 14 3.50 0.60 -8 7 14 3.10 0.60 -7 -7 14 10.60 1.40 -7 -7 14 10.50 1.50 -7 7 14 13.10 1.20 7 7 -14 15.90 1.50 7 7 -14 13.30 1.30 -7 7 14 10.30 1.10 -6 -7 14 43.10 2.60 -6 7 14 44.80 1.70 6 7 -14 45.50 2.50 -6 7 14 42.00 1.80 6 7 -14 44.60 2.00 -5 -7 14 21.30 2.20 -5 -7 14 19.60 2.20 -5 7 14 20.10 1.40 -5 7 14 20.20 1.50 5 7 -14 21.50 1.70 5 7 -14 20.40 2.20 -4 -7 14 0.40 1.00 -4 -7 14 1.10 1.10 -4 7 14 0.20 0.60 4 7 -14 0.30 0.80 4 7 -14 -1.10 1.00 -4 7 14 -0.40 0.70 -3 -7 14 4.70 1.10 -3 -7 14 5.40 1.20 -3 7 14 5.20 0.80 -3 7 14 5.30 0.90 3 7 -14 4.70 1.20 3 7 -14 5.20 1.00 2 -7 -14 14.40 0.80 2 -7 -14 13.00 0.80 -2 -7 14 16.10 2.20 -2 -7 14 11.00 1.40 2 7 -14 15.50 1.80 -2 7 14 15.50 1.70 2 7 -14 15.10 1.70 -2 7 14 14.40 1.50 1 -7 -14 9.40 0.90 1 -7 -14 10.20 1.20 -1 -7 14 8.30 1.30 -1 -7 14 6.70 1.30 -1 7 14 7.10 1.00 -1 7 14 9.50 1.20 1 7 -14 9.70 1.60 1 7 -14 9.30 1.20 0 -7 -14 1.20 0.90 0 -7 -14 2.40 0.80 0 -7 14 1.50 1.00 0 -7 14 2.40 1.40 0 7 -14 1.90 1.00 0 7 14 2.80 0.90 0 7 -14 2.10 1.30 0 7 14 2.40 1.10 1 -7 14 11.40 1.60 -1 -7 -14 14.60 1.70 -1 -7 -14 15.50 1.50 -1 7 -14 14.10 1.70 1 7 14 12.30 1.40 1 7 14 13.90 1.80 -1 7 -14 10.40 1.30 -2 -7 -14 4.20 1.10 2 -7 14 3.90 1.30 -2 -7 -14 4.30 1.20 -2 7 -14 6.00 1.50 2 7 14 2.20 1.20 -2 7 -14 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4.00 1.50 -4 -2 22 13.20 2.20 -4 -2 22 10.00 1.80 4 2 -22 10.20 1.30 4 2 -22 11.00 1.10 -4 2 22 10.90 1.70 -4 2 22 10.80 2.00 -3 -2 22 2.40 1.90 -3 -2 22 3.70 1.60 -3 2 22 0.70 1.70 3 2 -22 2.10 1.40 -3 2 22 2.10 1.50 3 2 -22 -0.50 1.20 -2 -2 22 57.29 3.70 2 -2 -22 43.60 2.40 -2 -2 22 51.89 4.40 2 -2 -22 51.29 2.60 -2 2 22 46.10 3.40 -2 2 22 45.40 4.00 2 2 -22 44.80 3.10 -1 -2 22 0.90 1.70 1 -2 -22 -0.40 1.50 1 2 -22 1.30 1.90 -1 2 22 1.70 1.60 -1 2 22 1.30 2.00 -4 -3 22 10.90 2.00 -4 -3 22 8.90 2.00 4 3 -22 8.80 1.30 -4 3 22 7.70 1.60 4 3 -22 8.80 1.50 -4 3 22 8.10 1.90 -3 -3 22 1.10 1.90 -3 -3 22 -1.20 1.60 -3 3 22 2.80 1.50 -3 3 22 -0.90 1.70 3 3 -22 3.10 1.40 3 3 -22 1.80 1.60 -2 -3 22 7.50 1.80 2 3 -22 12.40 2.10 -2 3 22 4.30 2.00 -2 3 22 10.30 1.80 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 73106 _shelx_fab_file ; 2 0 0 56.08 0.00 4 0 0 18.03 0.00 6 0 0 -1.01 0.00 8 0 0 -6.51 0.00 10 0 0 -5.34 0.00 12 0 0 -1.56 0.00 14 0 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0.00 -2 6 21 -0.45 0.00 -1 6 21 -0.12 0.00 -3 7 21 0.42 0.00 -6 0 22 0.17 0.00 -4 0 22 0.67 0.00 -2 0 22 0.59 0.00 -6 1 22 -0.55 0.00 -5 1 22 -0.48 0.00 -4 1 22 -0.61 0.00 -3 1 22 -0.60 0.00 -2 1 22 -0.43 0.00 -1 1 22 -0.46 0.00 -5 2 22 0.98 0.00 -4 2 22 0.45 0.00 -3 2 22 0.85 0.00 -2 2 22 0.47 0.00 -1 2 22 0.46 0.00 -4 3 22 -1.04 0.00 -3 3 22 -0.27 0.00 -2 3 22 -0.67 0.00 1 1 0 -66.78 0.00 0 2 0 54.76 0.00 16 5 0 -0.34 0.00 14 11 0 -0.26 0.00 12 14 0 0.62 0.00 8 18 0 0.71 0.00 4 20 0 0.51 0.00 -1 0 1 -75.15 0.00 1 0 1 -61.17 0.00 -1 1 1 2.19 0.00 0 1 1 67.67 0.00 1 1 1 -0.06 0.00 0 2 1 -1.46 0.00 -10 3 1 -4.42 0.00 16 4 1 0.01 0.00 15 8 1 -0.17 0.00 -15 9 1 -0.26 0.00 -14 11 1 0.47 0.00 -13 13 1 0.37 0.00 12 14 1 0.06 0.00 8 18 1 -0.04 0.00 -4 20 1 0.16 0.00 4 20 1 -0.04 0.00 0 0 2 58.90 0.00 -1 1 2 -60.45 0.00 0 1 2 -1.93 0.00 16 1 2 0.05 0.00 16 2 2 0.88 0.00 -16 6 2 0.54 0.00 -15 9 2 -0.56 0.00 14 10 2 -0.18 0.00 13 12 2 0.16 0.00 -13 13 2 -1.04 0.00 11 15 2 -0.17 0.00 10 16 2 0.31 0.00 9 17 2 -0.37 0.00 6 19 2 -0.10 0.00 -4 20 2 0.68 0.00 -16 6 3 0.87 0.00 -13 13 3 0.68 0.00 -4 20 3 0.49 0.00 3 20 3 -0.32 0.00 13 11 4 0.50 0.00 -13 13 4 -1.00 0.00 -8 18 4 0.59 0.00 7 18 4 0.72 0.00 5 19 4 -0.41 0.00 2 20 4 0.30 0.00 15 4 5 -0.25 0.00 -16 6 5 1.23 0.00 14 8 5 0.41 0.00 -13 13 5 0.67 0.00 10 15 5 -0.25 0.00 9 16 5 -0.02 0.00 -8 18 5 0.34 0.00 -6 19 5 0.05 0.00 -3 20 5 0.02 0.00 1 20 5 -0.22 0.00 15 1 6 -0.10 0.00 -16 6 6 0.22 0.00 14 7 6 0.44 0.00 -15 9 6 -0.15 0.00 -13 13 6 -0.38 0.00 6 18 6 0.08 0.00 4 19 6 -0.34 0.00 14 5 7 -0.07 0.00 -16 6 7 0.98 0.00 -15 9 7 -0.17 0.00 -14 11 7 0.07 0.00 -12 14 7 -0.43 0.00 10 14 7 0.44 0.00 9 15 7 -0.36 0.00 -10 16 7 0.26 0.00 8 16 7 0.17 0.00 -9 17 7 -0.50 0.00 -5 19 7 -0.42 0.00 3 19 7 0.29 0.00 14 3 8 0.27 0.00 -16 5 8 0.48 0.00 12 10 8 -0.23 0.00 -11 15 8 0.32 0.00 6 17 8 -0.13 0.00 -4 19 8 0.03 0.00 13 6 9 -0.08 0.00 -15 8 9 0.33 0.00 11 11 9 -0.72 0.00 -13 12 9 0.65 0.00 -8 17 9 0.11 0.00 -6 18 9 -0.06 0.00 -2 19 9 0.20 0.00 -1 19 9 0.79 0.00 -16 3 10 0.07 0.00 13 3 10 1.13 0.00 -12 13 10 -0.04 0.00 9 13 10 0.71 0.00 8 14 10 -0.90 0.00 -10 15 10 0.18 0.00 7 15 10 1.08 0.00 -9 16 10 -0.28 0.00 6 16 10 -0.95 0.00 -5 18 10 0.42 0.00 2 18 10 -0.06 0.00 -16 1 11 -0.06 0.00 -16 2 11 0.20 0.00 -14 9 11 -0.26 0.00 -13 11 11 0.43 0.00 9 12 11 0.16 0.00 5 16 11 0.83 0.00 3 17 11 -0.10 0.00 -3 18 11 -0.51 0.00 -2 18 11 -1.02 0.00 -1 18 11 -0.51 0.00 12 1 12 0.20 0.00 12 2 12 -2.17 0.00 11 7 12 -0.34 0.00 9 11 12 -0.30 0.00 -12 12 12 -0.62 0.00 -11 13 12 0.73 0.00 -10 14 12 -0.71 0.00 -9 15 12 0.55 0.00 -5 17 12 -0.35 0.00 -15 4 13 0.13 0.00 11 4 13 1.13 0.00 -8 15 13 -0.32 0.00 4 15 13 -0.73 0.00 -6 16 13 -0.47 0.00 2 16 13 0.05 0.00 -15 1 14 0.07 0.00 -14 6 14 0.45 0.00 9 8 14 -1.13 0.00 8 10 14 0.77 0.00 -7 15 14 0.12 0.00 -4 16 14 0.44 0.00 -1 16 14 0.57 0.00 0 16 14 -0.24 0.00 10 1 15 -1.66 0.00 -14 4 15 -0.30 0.00 9 6 15 0.34 0.00 7 10 15 -1.01 0.00 -10 12 15 0.77 0.00 3 14 15 0.31 0.00 -5 15 15 -0.01 0.00 -14 0 16 0.71 0.00 -14 1 16 0.13 0.00 9 1 16 1.52 0.00 9 2 16 -0.58 0.00 -13 6 16 0.38 0.00 8 6 16 -0.44 0.00 -12 8 16 0.20 0.00 6 10 16 1.06 0.00 -10 11 16 0.83 0.00 5 11 16 -0.94 0.00 -9 12 16 -0.68 0.00 4 12 16 0.57 0.00 8 2 17 0.52 0.00 -13 3 17 -0.38 0.00 8 3 17 -1.35 0.00 7 6 17 0.47 0.00 6 8 17 1.78 0.00 -5 13 17 -0.10 0.00 0 13 17 0.05 0.00 7 1 18 1.28 0.00 7 2 18 -0.38 0.00 -12 4 18 0.01 0.00 6 6 18 -0.47 0.00 4 9 18 1.44 0.00 3 10 18 -1.15 0.00 -7 11 18 -0.63 0.00 2 11 18 0.73 0.00 -5 12 18 0.12 0.00 -1 12 18 -0.09 0.00 0 12 18 0.42 0.00 -11 4 19 0.43 0.00 5 5 19 -1.18 0.00 4 7 19 0.02 0.00 -9 8 19 -0.12 0.00 3 8 19 -0.36 0.00 -8 9 19 0.23 0.00 2 9 19 0.54 0.00 1 10 19 -0.64 0.00 -4 11 19 -0.05 0.00 -3 11 19 0.22 0.00 -2 11 19 -0.07 0.00 -10 3 20 -0.20 0.00 4 3 20 0.36 0.00 -8 7 20 -0.79 0.00 2 7 20 1.14 0.00 -7 8 20 1.14 0.00 1 8 20 -0.89 0.00 -5 9 20 -0.31 0.00 -1 9 20 -0.13 0.00 -9 0 21 0.57 0.00 -9 1 21 0.20 0.00 2 3 21 -0.18 0.00 -8 4 21 -0.26 0.00 1 5 21 -0.81 0.00 0 6 21 0.63 0.00 -5 7 21 0.96 0.00 -4 7 21 0.08 0.00 -2 7 21 0.00 0.00 -1 7 21 -0.36 0.00 0 0 22 0.19 0.00 0 1 22 -0.23 0.00 -6 2 22 0.06 0.00 -6 3 22 -0.84 0.00 -5 3 22 -0.13 0.00 -1 3 22 -0.41 0.00 -5 4 22 0.90 0.00 -4 4 22 0.03 0.00 -3 4 22 0.79 0.00 -2 4 22 0.20 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 110 39 ' ' 2 0.500 0.000 1.000 110 39 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 1 0 2.040 0 2 0 2.542 -1 0 1 1.789 1 0 1 2.177 -1 1 1 2.195 0 1 1 1.743 1 1 1 2.521 0 2 1 2.809 0 0 2 2.387 -1 1 2 2.885 0 1 2 2.705 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL mo_molan50P 21/nk_0m_a R = 0.10 CELL 13.0356 16.0219 17.4226 90.00 101.65 90.00 SPGR P21/n # Solvent Accessible Volume = 221 # Electrons Found in S.A.V. = 78 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.561 0.976 0.047 ! 8.24 eA-3 C102 0.953 0.552 0.420 ! 6.10 eA-3 C103 0.513 0.063 0.020 ! 5.21 eA-3 Q104 0.845 0.783 0.039 ! 1.23 eA-3 Q105 0.470 0.483 0.298 ! 0.88 eA-3 Q106 0.322 0.440-0.002 ! 0.72 eA-3 Q107 0.096 0.740 0.621 ! 0.71 eA-3 Q108 0.684 0.667 0.395 ! 0.67 eA-3 Q109 0.769 0.757 0.730 ! 0.64 eA-3 Q110 0.814 0.909 0.927 ! 0.62 eA-3 Q111 0.204 0.218 0.610 ! 0.61 eA-3 C112 0.093 0.496 0.613 ! 0.60 eA-3 Q113 0.316 0.439 0.412 ! 0.60 eA-3 Q114 0.332 0.613 0.661 ! 0.59 eA-3 Q115 0.719 0.832 0.141 ! 0.57 eA-3 Q116 0.575 0.023 0.280 ! 0.57 eA-3 Q117 0.878 0.838-0.008 ! 0.56 eA-3 Q118 0.609 0.755 0.430 ! 0.56 eA-3 Q119 0.356 0.530 0.451 ! 0.55 eA-3 Q120 0.689 0.745 0.703 ! 0.53 eA-3 Q121 0.812 0.825 0.144 ! 0.53 eA-3 Q122 0.659 0.506 0.921 ! 0.52 eA-3 Q123 0.734 0.973 0.828 ! 0.52 eA-3 Q124 0.987 0.722 0.348 ! 0.52 eA-3 Q125 0.563 0.730 0.462 ! 0.51 eA-3 ) ; _shelx_fab_checksum 28832 data_mo_molan508e_150k_0m_a_sq _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' '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' 'Fe' 'Fe' 0.3463 0.8444 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.0621(4) _cell_length_b 16.0581(6) _cell_length_c 17.4579(6) _cell_angle_alpha 90 _cell_angle_beta 101.4960(10) _cell_angle_gamma 90 _cell_volume 3588.4(2) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 9067 _cell_measurement_theta_min 2.99 _cell_measurement_theta_max 27.13 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.323 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.467 _shelx_estimated_absorpt_T_min 0.760 _shelx_estimated_absorpt_T_max 0.964 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6795 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 48935 _diffrn_reflns_av_unetI/netI 0.0231 _diffrn_reflns_av_R_equivalents 0.0381 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.995 _diffrn_reflns_theta_max 27.142 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 7938 _reflns_number_gt 6166 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0298P)^2^+4.1066P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 7938 _refine_ls_number_parameters 537 _refine_ls_number_restraints 136 _refine_ls_R_factor_all 0.0578 _refine_ls_R_factor_gt 0.0386 _refine_ls_wR_factor_ref 0.0977 _refine_ls_wR_factor_gt 0.0840 _refine_ls_goodness_of_fit_ref 1.059 _refine_ls_restrained_S_all 1.054 _refine_ls_shift/su_max 0.142 _refine_ls_shift/su_mean 0.001 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 Fe1 Fe 0.66263(2) 0.27528(2) 0.44960(2) 0.01841(8) Uani 1 1 d . . . . . O1 O 1.22814(10) 0.25487(10) 0.24841(9) 0.0315(4) Uani 1 1 d . . . . . O2 O 0.09870(11) 0.25179(10) 0.65554(9) 0.0332(4) Uani 1 1 d . . . . . N1 N 0.71164(11) 0.33513(10) 0.37395(9) 0.0186(3) Uani 1 1 d . . . . . N2 N 0.79443(12) 0.31803(10) 0.34310(9) 0.0192(3) Uani 1 1 d . . . . . N3 N 0.86175(12) 0.20811(10) 0.43535(9) 0.0191(3) Uani 1 1 d . . . . . N4 N 0.77522(12) 0.20469(10) 0.46411(9) 0.0183(3) Uani 1 1 d . . . . . N5 N 0.55281(12) 0.20398(10) 0.44039(9) 0.0179(3) Uani 1 1 d . . . . . N6 N 0.46783(12) 0.20666(10) 0.47117(9) 0.0182(3) Uani 1 1 d . . . . . N7 N 0.52572(12) 0.32898(10) 0.54941(9) 0.0193(3) Uani 1 1 d . . . . . N8 N 0.60778(12) 0.34121(10) 0.51638(9) 0.0189(3) Uani 1 1 d D . . . . C1 C 0.65042(14) 0.40118(11) 0.33088(11) 0.0202(4) Uani 1 1 d . . . . . C2 C 0.54587(15) 0.41133(13) 0.33587(12) 0.0265(4) Uani 1 1 d . . . . . H2 H 0.514484 0.373754 0.366358 0.032 Uiso 1 1 calc R U . . . C3 C 0.48748(16) 0.47615(14) 0.29646(13) 0.0319(5) Uani 1 1 d . . . . . H3 H 0.416576 0.482890 0.300737 0.038 Uiso 1 1 calc R U . . . C4 C 0.53142(17) 0.53111(13) 0.25097(14) 0.0318(5) Uani 1 1 d . . . . . H4 H 0.491470 0.575721 0.224536 0.038 Uiso 1 1 calc R U . . . C5 C 0.63442(17) 0.51991(13) 0.24472(13) 0.0314(5) Uani 1 1 d . . . . . H5 H 0.664798 0.556572 0.212807 0.038 Uiso 1 1 calc R U . . . C6 C 0.69395(15) 0.45608(13) 0.28426(12) 0.0261(4) Uani 1 1 d . . . . . H6 H 0.764759 0.449638 0.279619 0.031 Uiso 1 1 calc R U . . . C7 C 0.86429(14) 0.26173(11) 0.37651(10) 0.0175(4) Uani 1 1 d . . . . . C8 C 0.96087(14) 0.25718(11) 0.34399(10) 0.0170(4) Uani 1 1 d . . . . . C9 C 0.95863(14) 0.27669(12) 0.26566(10) 0.0192(4) Uani 1 1 d . . . . . H9 H 0.894404 0.291963 0.232713 0.023 Uiso 1 1 calc R U . . . C10 C 1.04841(14) 0.27405(12) 0.23566(11) 0.0203(4) Uani 1 1 d . . . . . H10 H 1.045583 0.286776 0.182132 0.024 Uiso 1 1 calc R U . . . C11 C 1.14362(14) 0.25271(12) 0.28366(11) 0.0198(4) Uani 1 1 d . . . . . C12 C 1.14755(14) 0.23214(12) 0.36166(11) 0.0211(4) Uani 1 1 d . . . . . H12 H 1.211847 0.216855 0.394515 0.025 Uiso 1 1 calc R U . . . C13 C 1.05617(15) 0.23430(12) 0.39067(11) 0.0212(4) Uani 1 1 d . . . . . H13 H 1.058561 0.219810 0.443753 0.025 Uiso 1 1 calc R U . . . C14 C 1.32771(17) 0.2363(2) 0.29582(15) 0.0480(7) Uani 1 1 d . . . . . H14A H 1.381603 0.240235 0.264156 0.072 Uiso 1 1 calc R U . . . H14B H 1.326853 0.179720 0.316764 0.072 Uiso 1 1 calc R U . . . H14C H 1.343046 0.276134 0.339112 0.072 Uiso 1 1 calc R U . . . C15 C 0.77910(14) 0.13573(12) 0.51733(10) 0.0188(4) Uani 1 1 d . . . . . C16 C 0.82519(17) 0.06035(13) 0.50310(12) 0.0271(4) Uani 1 1 d . . . . . H16 H 0.854878 0.054210 0.457974 0.032 Uiso 1 1 calc R U . . . C17 C 0.82769(18) -0.00533(13) 0.55456(13) 0.0315(5) Uani 1 1 d . . . . . H17 H 0.859429 -0.056414 0.544738 0.038 Uiso 1 1 calc R U . . . C18 C 0.78405(17) 0.00282(13) 0.62066(12) 0.0292(5) Uani 1 1 d . . . . . H18 H 0.785115 -0.042700 0.655561 0.035 Uiso 1 1 calc R U . . . C19 C 0.73911(16) 0.07770(13) 0.63518(12) 0.0274(4) Uani 1 1 d . . . . . H19 H 0.709885 0.083692 0.680542 0.033 Uiso 1 1 calc R U . . . C20 C 0.73641(15) 0.14409(13) 0.58398(11) 0.0224(4) Uani 1 1 d . . . . . H20 H 0.705433 0.195314 0.594368 0.027 Uiso 1 1 calc R U . . . C21 C 0.55115(13) 0.13325(11) 0.38965(10) 0.0172(4) Uani 1 1 d . . . . . C22 C 0.51814(16) 0.05659(13) 0.41179(12) 0.0265(4) Uani 1 1 d . . . . . H22 H 0.493653 0.051254 0.459271 0.032 Uiso 1 1 calc R U . . . C23 C 0.52091(17) -0.01233(13) 0.36448(13) 0.0294(5) Uani 1 1 d . . . . . H23 H 0.500403 -0.065279 0.380480 0.035 Uiso 1 1 calc R U . . . C24 C 0.55333(16) -0.00450(13) 0.29419(13) 0.0291(5) Uani 1 1 d . . . . . H24 H 0.554509 -0.051746 0.261627 0.035 Uiso 1 1 calc R U . . . C25 C 0.58411(16) 0.07271(13) 0.27147(12) 0.0285(5) Uani 1 1 d . . . . . H25 H 0.605453 0.078334 0.222788 0.034 Uiso 1 1 calc R U . . . C26 C 0.58410(15) 0.14192(12) 0.31907(11) 0.0220(4) Uani 1 1 d . . . . . H26 H 0.606323 0.194557 0.303635 0.026 Uiso 1 1 calc R U . . . C27 C 0.46008(13) 0.26587(11) 0.52406(10) 0.0169(3) Uani 1 1 d . . . . . C28 C 0.36605(14) 0.25961(12) 0.55945(10) 0.0178(4) Uani 1 1 d . . . . . C29 C 0.33351(15) 0.32743(13) 0.59870(12) 0.0253(4) Uani 1 1 d . . . . . H29 H 0.373138 0.377451 0.604139 0.030 Uiso 1 1 calc R U . . . C30 C 0.24435(16) 0.32247(13) 0.62964(13) 0.0294(5) Uani 1 1 d . . . . . H30 H 0.222568 0.369460 0.655340 0.035 Uiso 1 1 calc R U . . . C31 C 0.18616(14) 0.24958(13) 0.62363(11) 0.0226(4) Uani 1 1 d . . . . . C32 C 0.21924(14) 0.18059(13) 0.58736(11) 0.0222(4) Uani 1 1 d . . . . . H32 H 0.181356 0.129806 0.584488 0.027 Uiso 1 1 calc R U . . . C33 C 0.30819(14) 0.18624(12) 0.55523(11) 0.0206(4) Uani 1 1 d . . . . . H33 H 0.330029 0.139047 0.529848 0.025 Uiso 1 1 calc R U . . . C34 C 0.02561(16) 0.18503(16) 0.63663(13) 0.0337(5) Uani 1 1 d . . . . . H34A H 0.006628 0.178785 0.579719 0.051 Uiso 1 1 calc R U . . . H34B H -0.037172 0.197316 0.657338 0.051 Uiso 1 1 calc R U . . . H34C H 0.057282 0.133244 0.659860 0.051 Uiso 1 1 calc R U . . . C35 C 0.6716(7) 0.4091(6) 0.5566(6) 0.017(4) Uani 0.335(3) 1 d DG U P A 1 C36 C 0.6597(7) 0.4901(7) 0.5280(5) 0.030(4) Uani 0.335(3) 1 d G . P A 1 H36 H 0.608926 0.502026 0.482270 0.036 Uiso 0.335(3) 1 calc R U P A 1 C37 C 0.7220(8) 0.5536(5) 0.5663(6) 0.026(3) Uani 0.335(3) 1 d G . P A 1 H37 H 0.713831 0.608884 0.546788 0.032 Uiso 0.335(3) 1 calc R U P A 1 C38 C 0.7962(7) 0.5361(6) 0.6332(6) 0.033(4) Uani 0.335(3) 1 d G U P A 1 H38 H 0.838820 0.579464 0.659422 0.040 Uiso 0.335(3) 1 calc R U P A 1 C39 C 0.8082(7) 0.4551(7) 0.6618(5) 0.032(4) Uani 0.335(3) 1 d G . P A 1 H39 H 0.858905 0.443186 0.707539 0.038 Uiso 0.335(3) 1 calc R U P A 1 C40 C 0.7458(8) 0.3917(5) 0.6235(7) 0.029(4) Uani 0.335(3) 1 d G . P A 1 H40 H 0.754000 0.336327 0.643022 0.035 Uiso 0.335(3) 1 calc R U P A 1 C35' C 0.6740(9) 0.4084(6) 0.5567(7) 0.019(4) Uani 0.297(3) 1 d DG U P A 2 C36' C 0.6901(8) 0.4824(6) 0.5195(6) 0.028(3) Uani 0.297(3) 1 d G . P A 2 H36' H 0.657073 0.491119 0.466491 0.033 Uiso 0.297(3) 1 calc R U P A 2 C37' C 0.7544(8) 0.5436(5) 0.5598(6) 0.030(3) Uani 0.297(3) 1 d G . P A 2 H37' H 0.765438 0.594126 0.534381 0.036 Uiso 0.297(3) 1 calc R U P A 2 C38' C 0.8027(8) 0.5308(6) 0.6374(6) 0.032(4) Uani 0.297(3) 1 d G . P A 2 H38' H 0.846714 0.572584 0.664915 0.038 Uiso 0.297(3) 1 calc R U P A 2 C39' C 0.7866(9) 0.4568(7) 0.6746(5) 0.022(2) Uani 0.297(3) 1 d G . P A 2 H39' H 0.819625 0.448036 0.727561 0.026 Uiso 0.297(3) 1 calc R U P A 2 C40' C 0.7223(9) 0.3956(6) 0.6342(7) 0.020(2) Uani 0.297(3) 1 d G . P A 2 H40' H 0.711260 0.345029 0.659673 0.024 Uiso 0.297(3) 1 calc R U P A 2 C35" C 0.6701(6) 0.4073(5) 0.5510(4) 0.025(3) Uani 0.368(3) 1 d DG U P A 3 C36" C 0.6325(5) 0.4883(5) 0.5411(5) 0.030(2) Uani 0.368(3) 1 d G . P A 3 H36" H 0.565683 0.498854 0.509519 0.036 Uiso 0.368(3) 1 calc R U P A 3 C37" C 0.6926(6) 0.5540(4) 0.5775(5) 0.030(2) Uani 0.368(3) 1 d G . P A 3 H37" H 0.666850 0.609382 0.570733 0.037 Uiso 0.368(3) 1 calc R U P A 3 C38" C 0.7903(6) 0.5386(4) 0.6237(5) 0.037(3) Uani 0.368(3) 1 d G . P A 3 H38" H 0.831382 0.583448 0.648599 0.045 Uiso 0.368(3) 1 calc R U P A 3 C39" C 0.8280(5) 0.4575(5) 0.6336(4) 0.045(3) Uani 0.368(3) 1 d G . P A 3 H39" H 0.894748 0.446987 0.665250 0.054 Uiso 0.368(3) 1 calc R U P A 3 C40" C 0.7679(6) 0.3919(4) 0.5973(4) 0.034(2) Uani 0.368(3) 1 d G . P A 3 H40" H 0.793583 0.336457 0.604035 0.041 Uiso 0.368(3) 1 calc R U P A 3 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 Fe1 0.01560(13) 0.02119(14) 0.02035(14) -0.00119(11) 0.00819(10) -0.00106(10) O1 0.0166(7) 0.0511(10) 0.0291(8) 0.0135(7) 0.0101(6) 0.0042(6) O2 0.0205(7) 0.0433(9) 0.0408(9) -0.0117(7) 0.0184(6) -0.0048(6) N1 0.0152(7) 0.0179(8) 0.0235(8) -0.0026(6) 0.0055(6) -0.0020(6) N2 0.0167(7) 0.0202(8) 0.0220(8) -0.0013(6) 0.0068(6) -0.0007(6) N3 0.0167(7) 0.0221(8) 0.0197(8) -0.0006(6) 0.0067(6) -0.0006(6) N4 0.0189(7) 0.0208(8) 0.0164(7) -0.0007(6) 0.0062(6) -0.0015(6) N5 0.0177(7) 0.0201(8) 0.0173(7) 0.0013(6) 0.0072(6) 0.0018(6) N6 0.0162(7) 0.0226(8) 0.0169(7) 0.0001(6) 0.0061(6) -0.0004(6) N7 0.0177(7) 0.0213(8) 0.0201(8) -0.0004(6) 0.0070(6) -0.0007(6) N8 0.0168(7) 0.0200(8) 0.0207(8) -0.0002(6) 0.0057(6) -0.0006(6) C1 0.0186(9) 0.0167(9) 0.0247(9) -0.0039(7) 0.0028(7) 0.0001(7) C2 0.0209(10) 0.0287(11) 0.0303(11) 0.0012(8) 0.0060(8) 0.0001(8) C3 0.0209(10) 0.0365(12) 0.0372(12) -0.0023(10) 0.0030(9) 0.0067(9) C4 0.0297(11) 0.0207(10) 0.0418(13) -0.0001(9) -0.0007(9) 0.0071(8) C5 0.0313(11) 0.0219(10) 0.0398(12) 0.0058(9) 0.0039(9) -0.0031(9) C6 0.0204(9) 0.0227(10) 0.0353(11) 0.0014(8) 0.0062(8) -0.0018(8) C7 0.0160(8) 0.0199(9) 0.0164(8) -0.0021(7) 0.0025(7) -0.0014(7) C8 0.0181(8) 0.0149(8) 0.0186(9) -0.0014(7) 0.0053(7) -0.0006(7) C9 0.0171(8) 0.0207(9) 0.0191(9) -0.0001(7) 0.0019(7) 0.0010(7) C10 0.0224(9) 0.0223(9) 0.0164(8) 0.0023(7) 0.0045(7) 0.0006(7) C11 0.0168(8) 0.0201(9) 0.0238(9) 0.0022(7) 0.0074(7) -0.0023(7) C12 0.0169(8) 0.0241(10) 0.0215(9) 0.0049(8) 0.0018(7) 0.0012(7) C13 0.0221(9) 0.0244(10) 0.0177(9) 0.0045(7) 0.0053(7) 0.0013(8) C14 0.0162(10) 0.084(2) 0.0457(14) 0.0245(14) 0.0106(10) 0.0048(11) C15 0.0173(8) 0.0203(9) 0.0184(9) 0.0012(7) 0.0024(7) -0.0023(7) C16 0.0339(11) 0.0240(10) 0.0255(10) -0.0015(8) 0.0114(9) -0.0004(8) C17 0.0404(12) 0.0201(10) 0.0342(11) -0.0009(9) 0.0081(10) 0.0014(9) C18 0.0343(11) 0.0241(10) 0.0291(11) 0.0074(8) 0.0060(9) -0.0035(9) C19 0.0282(10) 0.0339(12) 0.0219(10) 0.0039(8) 0.0090(8) -0.0025(9) C20 0.0216(9) 0.0248(10) 0.0219(9) 0.0006(8) 0.0070(8) 0.0010(8) C21 0.0143(8) 0.0187(9) 0.0186(9) -0.0008(7) 0.0033(7) 0.0008(7) C22 0.0343(11) 0.0239(10) 0.0239(10) 0.0025(8) 0.0124(8) -0.0008(8) C23 0.0351(11) 0.0179(10) 0.0367(12) 0.0019(8) 0.0109(9) -0.0015(8) C24 0.0281(10) 0.0223(10) 0.0398(12) -0.0116(9) 0.0139(9) -0.0023(8) C25 0.0302(11) 0.0314(11) 0.0292(11) -0.0091(9) 0.0186(9) -0.0061(9) C26 0.0231(9) 0.0213(9) 0.0243(9) -0.0014(8) 0.0115(8) -0.0039(7) C27 0.0158(8) 0.0211(9) 0.0136(8) 0.0009(7) 0.0027(6) 0.0017(7) C28 0.0163(8) 0.0224(9) 0.0145(8) -0.0001(7) 0.0031(7) 0.0007(7) C29 0.0223(9) 0.0249(10) 0.0310(10) -0.0048(8) 0.0110(8) -0.0027(8) C30 0.0252(10) 0.0283(11) 0.0385(12) -0.0099(9) 0.0153(9) 0.0003(8) C31 0.0162(9) 0.0320(11) 0.0213(9) -0.0026(8) 0.0079(7) -0.0012(8) C32 0.0191(9) 0.0261(10) 0.0222(9) -0.0015(8) 0.0060(7) -0.0052(8) C33 0.0210(9) 0.0215(9) 0.0203(9) -0.0021(7) 0.0065(7) 0.0007(7) C34 0.0209(10) 0.0508(14) 0.0310(11) -0.0026(10) 0.0090(9) -0.0093(9) C35 0.013(5) 0.014(4) 0.023(5) -0.004(3) 0.006(3) -0.002(3) C36 0.048(8) 0.019(4) 0.024(5) -0.001(3) 0.009(5) 0.008(4) C37 0.040(7) 0.017(4) 0.026(4) -0.003(3) 0.017(5) 0.007(4) C38 0.037(6) 0.029(5) 0.035(5) -0.004(4) 0.010(4) -0.003(4) C39 0.021(6) 0.033(4) 0.038(7) 0.001(4) -0.004(6) -0.008(3) C40 0.017(6) 0.023(4) 0.043(7) 0.010(4) -0.003(5) -0.006(3) C35' 0.019(5) 0.016(4) 0.022(4) -0.005(3) 0.006(3) -0.003(3) C36' 0.037(6) 0.022(4) 0.022(4) -0.001(3) 0.001(4) -0.004(4) C37' 0.039(6) 0.014(4) 0.035(4) -0.005(3) 0.003(4) -0.001(4) C38' 0.032(6) 0.027(5) 0.033(5) -0.008(4) 0.000(4) -0.018(4) C39' 0.017(4) 0.031(4) 0.022(4) -0.008(3) 0.014(3) -0.005(3) C40' 0.015(5) 0.024(4) 0.023(3) -0.002(3) 0.009(3) -0.004(3) C35" 0.026(4) 0.029(4) 0.023(4) 0.000(3) 0.013(3) -0.001(3) C36" 0.033(4) 0.032(3) 0.027(4) -0.004(3) 0.009(3) 0.002(3) C37" 0.043(5) 0.024(3) 0.030(4) -0.005(3) 0.021(3) -0.002(3) C38" 0.043(5) 0.022(4) 0.048(6) -0.010(4) 0.012(4) -0.016(3) C39" 0.033(4) 0.032(3) 0.063(6) -0.006(4) -0.009(4) -0.010(3) C40" 0.032(4) 0.023(3) 0.045(5) -0.004(3) 0.000(3) -0.008(3) _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 Fe1 N5 1.8173(15) . ? Fe1 N8 1.8238(15) . ? Fe1 N4 1.8339(16) . ? Fe1 N1 1.8479(16) . ? O1 C11 1.367(2) . ? O1 C14 1.427(3) . ? O2 C31 1.368(2) . ? O2 C34 1.430(3) . ? N1 N2 1.329(2) . ? N1 C1 1.446(2) . ? N2 C7 1.333(2) . ? N3 N4 1.326(2) . ? N3 C7 1.346(2) . ? N4 C15 1.440(2) . ? N5 N6 1.327(2) . ? N5 C21 1.438(2) . ? N6 C27 1.343(2) . ? N7 N8 1.329(2) . ? N7 C27 1.344(2) . ? N8 C35" 1.399(6) . ? N8 C35 1.464(7) . ? N8 C35' 1.471(7) . ? C1 C2 1.395(3) . ? C1 C6 1.396(3) . ? C2 C3 1.389(3) . ? C2 H2 0.9500 . ? C3 C4 1.386(3) . ? C3 H3 0.9500 . ? C4 C5 1.383(3) . ? C4 H4 0.9500 . ? C5 C6 1.385(3) . ? C5 H5 0.9500 . ? C6 H6 0.9500 . ? C7 C8 1.485(2) . ? C8 C13 1.394(3) . ? C8 C9 1.398(2) . ? C9 C10 1.377(2) . ? C9 H9 0.9500 . ? C10 C11 1.397(3) . ? C10 H10 0.9500 . ? C11 C12 1.392(3) . ? C12 C13 1.387(3) . ? C12 H12 0.9500 . ? C13 H13 0.9500 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 C20 1.393(3) . ? C15 C16 1.396(3) . ? C16 C17 1.382(3) . ? C16 H16 0.9500 . ? C17 C18 1.391(3) . ? C17 H17 0.9500 . ? C18 C19 1.384(3) . ? C18 H18 0.9500 . ? C19 C20 1.387(3) . ? C19 H19 0.9500 . ? C20 H20 0.9500 . ? C21 C22 1.385(3) . ? C21 C26 1.391(2) . ? C22 C23 1.386(3) . ? C22 H22 0.9500 . ? C23 C24 1.381(3) . ? C23 H23 0.9500 . ? C24 C25 1.386(3) . ? C24 H24 0.9500 . ? C25 C26 1.388(3) . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? C27 C28 1.484(2) . ? C28 C33 1.394(3) . ? C28 C29 1.397(3) . ? C29 C30 1.380(3) . ? C29 H29 0.9500 . ? C30 C31 1.388(3) . ? C30 H30 0.9500 . ? C31 C32 1.387(3) . ? C32 C33 1.390(3) . ? C32 H32 0.9500 . ? C33 H33 0.9500 . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 C36 1.3900 . ? C35 C40 1.3900 . ? C36 C37 1.3900 . ? C36 H36 0.9500 . ? C37 C38 1.3900 . ? C37 H37 0.9500 . ? C38 C39 1.3900 . ? C38 H38 0.9500 . ? C39 C40 1.3900 . ? C39 H39 0.9500 . ? C40 H40 0.9500 . ? C35' C36' 1.3900 . ? C35' C40' 1.3900 . ? C36' C37' 1.3900 . ? C36' H36' 0.9500 . ? C37' C38' 1.3900 . ? C37' H37' 0.9500 . ? C38' C39' 1.3900 . ? C38' H38' 0.9500 . ? C39' C40' 1.3900 . ? C39' H39' 0.9500 . ? C40' H40' 0.9500 . ? C35" C36" 1.3900 . ? C35" C40" 1.3900 . ? C36" C37" 1.3900 . ? C36" H36" 0.9500 . ? C37" C38" 1.3900 . ? C37" H37" 0.9500 . ? C38" C39" 1.3900 . ? C38" H38" 0.9500 . ? C39" C40" 1.3900 . ? C39" H39" 0.9500 . ? C40" H40" 0.9500 . ? 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 N5 Fe1 N8 91.07(7) . . ? N5 Fe1 N4 102.71(7) . . ? N8 Fe1 N4 132.60(7) . . ? N5 Fe1 N1 130.11(7) . . ? N8 Fe1 N1 113.02(7) . . ? N4 Fe1 N1 92.16(7) . . ? C11 O1 C14 117.25(16) . . ? C31 O2 C34 117.39(16) . . ? N2 N1 C1 110.55(15) . . ? N2 N1 Fe1 127.43(12) . . ? C1 N1 Fe1 121.25(12) . . ? N1 N2 C7 120.26(15) . . ? N4 N3 C7 117.90(15) . . ? N3 N4 C15 110.68(14) . . ? N3 N4 Fe1 129.98(12) . . ? C15 N4 Fe1 119.25(12) . . ? N6 N5 C21 111.35(14) . . ? N6 N5 Fe1 130.77(12) . . ? C21 N5 Fe1 117.83(11) . . ? N5 N6 C27 119.02(15) . . ? N8 N7 C27 119.03(15) . . ? N7 N8 C35" 112.0(4) . . ? N7 N8 C35 109.5(4) . . ? N7 N8 C35' 110.4(6) . . ? N7 N8 Fe1 130.17(12) . . ? C35" N8 Fe1 116.6(4) . . ? C35 N8 Fe1 118.7(4) . . ? C35' N8 Fe1 117.6(6) . . ? C2 C1 C6 118.70(18) . . ? C2 C1 N1 120.01(17) . . ? C6 C1 N1 121.29(16) . . ? C3 C2 C1 120.29(19) . . ? C3 C2 H2 119.9 . . ? C1 C2 H2 119.9 . . ? C4 C3 C2 120.78(19) . . ? C4 C3 H3 119.6 . . ? C2 C3 H3 119.6 . . ? C5 C4 C3 118.9(2) . . ? C5 C4 H4 120.6 . . ? C3 C4 H4 120.6 . . ? C4 C5 C6 121.0(2) . . ? C4 C5 H5 119.5 . . ? C6 C5 H5 119.5 . . ? C5 C6 C1 120.31(19) . . ? C5 C6 H6 119.8 . . ? C1 C6 H6 119.8 . . ? N2 C7 N3 130.45(16) . . ? N2 C7 C8 115.20(16) . . ? N3 C7 C8 114.36(16) . . ? C13 C8 C9 118.23(16) . . ? C13 C8 C7 121.13(16) . . ? C9 C8 C7 120.63(16) . . ? C10 C9 C8 120.80(17) . . ? C10 C9 H9 119.6 . . ? C8 C9 H9 119.6 . . ? C9 C10 C11 120.22(17) . . ? C9 C10 H10 119.9 . . ? C11 C10 H10 119.9 . . ? O1 C11 C12 124.79(17) . . ? O1 C11 C10 115.21(16) . . ? C12 C11 C10 120.00(17) . . ? C13 C12 C11 118.98(17) . . ? C13 C12 H12 120.5 . . ? C11 C12 H12 120.5 . . ? C12 C13 C8 121.76(17) . . ? C12 C13 H13 119.1 . . ? C8 C13 H13 119.1 . . ? O1 C14 H14A 109.5 . . ? O1 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O1 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C20 C15 C16 119.38(18) . . ? C20 C15 N4 119.75(17) . . ? C16 C15 N4 120.87(16) . . ? C17 C16 C15 120.09(19) . . ? C17 C16 H16 120.0 . . ? C15 C16 H16 120.0 . . ? C16 C17 C18 120.5(2) . . ? C16 C17 H17 119.8 . . ? C18 C17 H17 119.8 . . ? C19 C18 C17 119.52(19) . . ? C19 C18 H18 120.2 . . ? C17 C18 H18 120.2 . . ? C18 C19 C20 120.46(19) . . ? C18 C19 H19 119.8 . . ? C20 C19 H19 119.8 . . ? C19 C20 C15 120.07(19) . . ? C19 C20 H20 120.0 . . ? C15 C20 H20 120.0 . . ? C22 C21 C26 120.32(17) . . ? C22 C21 N5 119.85(16) . . ? C26 C21 N5 119.83(16) . . ? C21 C22 C23 119.81(18) . . ? C21 C22 H22 120.1 . . ? C23 C22 H22 120.1 . . ? C24 C23 C22 120.38(19) . . ? C24 C23 H23 119.8 . . ? C22 C23 H23 119.8 . . ? C23 C24 C25 119.58(19) . . ? C23 C24 H24 120.2 . . ? C25 C24 H24 120.2 . . ? C24 C25 C26 120.70(18) . . ? C24 C25 H25 119.7 . . ? C26 C25 H25 119.7 . . ? C25 C26 C21 119.17(18) . . ? C25 C26 H26 120.4 . . ? C21 C26 H26 120.4 . . ? N6 C27 N7 129.02(16) . . ? N6 C27 C28 114.85(16) . . ? N7 C27 C28 116.13(15) . . ? C33 C28 C29 118.04(17) . . ? C33 C28 C27 121.35(16) . . ? C29 C28 C27 120.61(17) . . ? C30 C29 C28 120.65(19) . . ? C30 C29 H29 119.7 . . ? C28 C29 H29 119.7 . . ? C29 C30 C31 120.74(19) . . ? C29 C30 H30 119.6 . . ? C31 C30 H30 119.6 . . ? O2 C31 C32 124.62(18) . . ? O2 C31 C30 115.89(17) . . ? C32 C31 C30 119.49(17) . . ? C31 C32 C33 119.57(18) . . ? C31 C32 H32 120.2 . . ? C33 C32 H32 120.2 . . ? C32 C33 C28 121.46(18) . . ? C32 C33 H33 119.3 . . ? C28 C33 H33 119.3 . . ? O2 C34 H34A 109.5 . . ? O2 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O2 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C36 C35 C40 120.0 . . ? C36 C35 N8 120.8(8) . . ? C40 C35 N8 119.2(8) . . ? C37 C36 C35 120.0 . . ? C37 C36 H36 120.0 . . ? C35 C36 H36 120.0 . . ? C36 C37 C38 120.0 . . ? C36 C37 H37 120.0 . . ? C38 C37 H37 120.0 . . ? C37 C38 C39 120.0 . . ? C37 C38 H38 120.0 . . ? C39 C38 H38 120.0 . . ? C40 C39 C38 120.0 . . ? C40 C39 H39 120.0 . . ? C38 C39 H39 120.0 . . ? C39 C40 C35 120.0 . . ? C39 C40 H40 120.0 . . ? C35 C40 H40 120.0 . . ? C36' C35' C40' 120.0 . . ? C36' C35' N8 122.2(7) . . ? C40' C35' N8 117.8(7) . . ? C35' C36' C37' 120.0 . . ? C35' C36' H36' 120.0 . . ? C37' C36' H36' 120.0 . . ? C36' C37' C38' 120.0 . . ? C36' C37' H37' 120.0 . . ? C38' C37' H37' 120.0 . . ? C39' C38' C37' 120.0 . . ? C39' C38' H38' 120.0 . . ? C37' C38' H38' 120.0 . . ? C38' C39' C40' 120.0 . . ? C38' C39' H39' 120.0 . . ? C40' C39' H39' 120.0 . . ? C39' C40' C35' 120.0 . . ? C39' C40' H40' 120.0 . . ? C35' C40' H40' 120.0 . . ? C36" C35" C40" 120.0 . . ? C36" C35" N8 119.7(6) . . ? C40" C35" N8 120.3(6) . . ? C35" C36" C37" 120.0 . . ? C35" C36" H36" 120.0 . . ? C37" C36" H36" 120.0 . . ? C38" C37" C36" 120.0 . . ? C38" C37" H37" 120.0 . . ? C36" C37" H37" 120.0 . . ? C37" C38" C39" 120.0 . . ? C37" C38" H38" 120.0 . . ? C39" C38" H38" 120.0 . . ? C40" C39" C38" 120.0 . . ? C40" C39" H39" 120.0 . . ? C38" C39" H39" 120.0 . . ? C39" C40" C35" 120.0 . . ? C39" C40" H40" 120.0 . . ? C35" C40" H40" 120.0 . . ? _refine_diff_density_max 0.427 _refine_diff_density_min -0.361 _refine_diff_density_rms 0.061 _shelx_res_file ; TITL mo_molan508e_150K_0m_a.res in P2(1)/n mo_molan508e_150k_0m_a_sq.res created by SHELXL-2018/1 at 14:30:31 on 22-Oct-2018 REM Old TITL mo_molan508e_150K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.132, Rweak 0.002, Alpha 0.035, Orientation as input REM Formula found by SHELXT: C43 N9 O Fe CELL 0.71073 13.0621 16.0581 17.4579 90.000 101.496 90.000 ZERR 4.000 0.0004 0.0006 0.0006 0.000 0.001 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C N O FE H UNIT 160 32 8 4 136 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP -122.950 SIZE 0.080 0.360 0.620 L.S. 5 0 22 BOND $H acta FMAP 2 PLAN 20 dfix 1.44 0.01 N8 C35 N8 C35' N8 C35" rigu 0.002 C35 > C40 rigu 0.002 C35' > C40' rigu 0.002 C35" > C40" sump 1 0.0001 1 2 1 3 1 4 isor 0.005 C38 c35 C35' C35" PLAN 5 ABIN ACTA WGHT 0.029800 4.106600 FVAR 0.20200 0.33487 0.29693 0.36820 FE1 4 0.662632 0.275278 0.449602 11.00000 0.01560 0.02119 = 0.02035 -0.00119 0.00819 -0.00106 O1 3 1.228141 0.254867 0.248411 11.00000 0.01659 0.05113 = 0.02910 0.01349 0.01007 0.00422 O2 3 0.098703 0.251786 0.655541 11.00000 0.02055 0.04334 = 0.04077 -0.01175 0.01840 -0.00482 N1 2 0.711644 0.335130 0.373954 11.00000 0.01515 0.01788 = 0.02353 -0.00258 0.00548 -0.00204 N2 2 0.794425 0.318029 0.343100 11.00000 0.01675 0.02020 = 0.02203 -0.00128 0.00683 -0.00068 N3 2 0.861753 0.208111 0.435350 11.00000 0.01673 0.02210 = 0.01973 -0.00061 0.00670 -0.00060 N4 2 0.775216 0.204689 0.464113 11.00000 0.01891 0.02082 = 0.01639 -0.00069 0.00619 -0.00155 N5 2 0.552807 0.203979 0.440387 11.00000 0.01768 0.02009 = 0.01734 0.00133 0.00717 0.00182 N6 2 0.467827 0.206656 0.471172 11.00000 0.01615 0.02262 = 0.01692 0.00014 0.00610 -0.00044 N7 2 0.525720 0.328979 0.549406 11.00000 0.01772 0.02129 = 0.02008 -0.00043 0.00698 -0.00072 N8 2 0.607784 0.341213 0.516380 11.00000 0.01680 0.01996 = 0.02068 -0.00024 0.00567 -0.00064 C1 1 0.650419 0.401179 0.330880 11.00000 0.01858 0.01671 = 0.02475 -0.00394 0.00278 0.00010 C2 1 0.545871 0.411334 0.335872 11.00000 0.02093 0.02871 = 0.03030 0.00120 0.00602 0.00012 AFIX 43 H2 5 0.514484 0.373754 0.366358 11.00000 -1.20000 AFIX 0 C3 1 0.487476 0.476153 0.296460 11.00000 0.02089 0.03651 = 0.03719 -0.00234 0.00303 0.00671 AFIX 43 H3 5 0.416576 0.482890 0.300737 11.00000 -1.20000 AFIX 0 C4 1 0.531419 0.531110 0.250973 11.00000 0.02973 0.02067 = 0.04178 -0.00015 -0.00070 0.00710 AFIX 43 H4 5 0.491470 0.575721 0.224536 11.00000 -1.20000 AFIX 0 C5 1 0.634421 0.519911 0.244719 11.00000 0.03131 0.02186 = 0.03983 0.00577 0.00387 -0.00313 AFIX 43 H5 5 0.664798 0.556572 0.212807 11.00000 -1.20000 AFIX 0 C6 1 0.693953 0.456082 0.284256 11.00000 0.02045 0.02273 = 0.03530 0.00145 0.00622 -0.00180 AFIX 43 H6 5 0.764759 0.449638 0.279619 11.00000 -1.20000 AFIX 0 C7 1 0.864295 0.261735 0.376507 11.00000 0.01603 0.01987 = 0.01641 -0.00210 0.00255 -0.00145 C8 1 0.960870 0.257179 0.343985 11.00000 0.01815 0.01493 = 0.01864 -0.00136 0.00526 -0.00065 C9 1 0.958635 0.276691 0.265657 11.00000 0.01711 0.02066 = 0.01909 -0.00008 0.00187 0.00099 AFIX 43 H9 5 0.894404 0.291963 0.232713 11.00000 -1.20000 AFIX 0 C10 1 1.048411 0.274046 0.235655 11.00000 0.02236 0.02230 = 0.01638 0.00229 0.00448 0.00057 AFIX 43 H10 5 1.045583 0.286776 0.182132 11.00000 -1.20000 AFIX 0 C11 1 1.143618 0.252708 0.283658 11.00000 0.01676 0.02012 = 0.02381 0.00216 0.00745 -0.00229 C12 1 1.147552 0.232138 0.361662 11.00000 0.01687 0.02412 = 0.02145 0.00486 0.00184 0.00123 AFIX 43 H12 5 1.211847 0.216855 0.394515 11.00000 -1.20000 AFIX 0 C13 1 1.056168 0.234301 0.390666 11.00000 0.02207 0.02443 = 0.01773 0.00446 0.00525 0.00128 AFIX 43 H13 5 1.058561 0.219810 0.443753 11.00000 -1.20000 AFIX 0 C14 1 1.327709 0.236284 0.295824 11.00000 0.01622 0.08397 = 0.04573 0.02451 0.01062 0.00479 AFIX 137 H14A 5 1.381603 0.240235 0.264156 11.00000 -1.50000 H14B 5 1.326853 0.179720 0.316764 11.00000 -1.50000 H14C 5 1.343046 0.276134 0.339112 11.00000 -1.50000 AFIX 0 C15 1 0.779096 0.135732 0.517326 11.00000 0.01730 0.02026 = 0.01844 0.00120 0.00238 -0.00229 C16 1 0.825191 0.060351 0.503100 11.00000 0.03392 0.02398 = 0.02555 -0.00146 0.01135 -0.00036 AFIX 43 H16 5 0.854878 0.054210 0.457974 11.00000 -1.20000 AFIX 0 C17 1 0.827692 -0.005329 0.554556 11.00000 0.04041 0.02014 = 0.03416 -0.00089 0.00811 0.00141 AFIX 43 H17 5 0.859429 -0.056414 0.544738 11.00000 -1.20000 AFIX 0 C18 1 0.784055 0.002821 0.620656 11.00000 0.03431 0.02409 = 0.02906 0.00740 0.00605 -0.00354 AFIX 43 H18 5 0.785115 -0.042700 0.655561 11.00000 -1.20000 AFIX 0 C19 1 0.739108 0.077700 0.635183 11.00000 0.02822 0.03385 = 0.02193 0.00390 0.00899 -0.00252 AFIX 43 H19 5 0.709885 0.083692 0.680542 11.00000 -1.20000 AFIX 0 C20 1 0.736414 0.144091 0.583978 11.00000 0.02163 0.02478 = 0.02194 0.00055 0.00704 0.00103 AFIX 43 H20 5 0.705433 0.195314 0.594368 11.00000 -1.20000 AFIX 0 C21 1 0.551153 0.133253 0.389652 11.00000 0.01430 0.01875 = 0.01858 -0.00085 0.00326 0.00082 C22 1 0.518138 0.056588 0.411787 11.00000 0.03433 0.02385 = 0.02391 0.00253 0.01240 -0.00077 AFIX 43 H22 5 0.493653 0.051254 0.459271 11.00000 -1.20000 AFIX 0 C23 1 0.520913 -0.012333 0.364478 11.00000 0.03511 0.01785 = 0.03670 0.00187 0.01085 -0.00148 AFIX 43 H23 5 0.500403 -0.065279 0.380480 11.00000 -1.20000 AFIX 0 C24 1 0.553330 -0.004496 0.294186 11.00000 0.02813 0.02229 = 0.03977 -0.01161 0.01395 -0.00228 AFIX 43 H24 5 0.554509 -0.051746 0.261627 11.00000 -1.20000 AFIX 0 C25 1 0.584113 0.072714 0.271468 11.00000 0.03020 0.03135 = 0.02924 -0.00914 0.01862 -0.00608 AFIX 43 H25 5 0.605453 0.078334 0.222788 11.00000 -1.20000 AFIX 0 C26 1 0.584102 0.141918 0.319067 11.00000 0.02309 0.02134 = 0.02429 -0.00142 0.01153 -0.00386 AFIX 43 H26 5 0.606323 0.194557 0.303635 11.00000 -1.20000 AFIX 0 C27 1 0.460078 0.265867 0.524058 11.00000 0.01584 0.02106 = 0.01356 0.00095 0.00271 0.00169 C28 1 0.366047 0.259612 0.559445 11.00000 0.01635 0.02239 = 0.01454 -0.00014 0.00310 0.00067 C29 1 0.333509 0.327433 0.598697 11.00000 0.02227 0.02489 = 0.03098 -0.00479 0.01104 -0.00266 AFIX 43 H29 5 0.373138 0.377451 0.604139 11.00000 -1.20000 AFIX 0 C30 1 0.244352 0.322468 0.629643 11.00000 0.02517 0.02830 = 0.03851 -0.00992 0.01535 0.00026 AFIX 43 H30 5 0.222568 0.369460 0.655340 11.00000 -1.20000 AFIX 0 C31 1 0.186164 0.249576 0.623634 11.00000 0.01621 0.03197 = 0.02130 -0.00257 0.00791 -0.00122 C32 1 0.219243 0.180588 0.587360 11.00000 0.01908 0.02612 = 0.02216 -0.00153 0.00605 -0.00521 AFIX 43 H32 5 0.181356 0.129806 0.584488 11.00000 -1.20000 AFIX 0 C33 1 0.308193 0.186241 0.555235 11.00000 0.02102 0.02152 = 0.02033 -0.00205 0.00645 0.00066 AFIX 43 H33 5 0.330029 0.139047 0.529848 11.00000 -1.20000 AFIX 0 C34 1 0.025614 0.185034 0.636628 11.00000 0.02093 0.05078 = 0.03103 -0.00264 0.00900 -0.00927 AFIX 137 H34A 5 0.006628 0.178785 0.579719 11.00000 -1.50000 H34B 5 -0.037172 0.197316 0.657338 11.00000 -1.50000 H34C 5 0.057282 0.133244 0.659860 11.00000 -1.50000 AFIX 66 PART 1 21.00 C35 1 0.671598 0.409130 0.556580 21.00000 0.01328 0.01443 = 0.02338 -0.00378 0.00614 -0.00225 C36 1 0.659669 0.490082 0.527998 21.00000 0.04788 0.01915 = 0.02430 -0.00084 0.00891 0.00834 AFIX 43 H36 5 0.608926 0.502026 0.482270 21.00000 -1.20000 AFIX 65 C37 1 0.721985 0.553557 0.566323 21.00000 0.04012 0.01698 = 0.02639 -0.00289 0.01731 0.00735 AFIX 43 H37 5 0.713831 0.608884 0.546788 21.00000 -1.20000 AFIX 65 C38 1 0.796230 0.536081 0.633229 21.00000 0.03722 0.02910 = 0.03468 -0.00373 0.00971 -0.00319 AFIX 43 H38 5 0.838820 0.579464 0.659422 21.00000 -1.20000 AFIX 65 C39 1 0.808161 0.455130 0.661812 21.00000 0.02091 0.03291 = 0.03804 0.00148 -0.00358 -0.00756 AFIX 43 H39 5 0.858905 0.443186 0.707539 21.00000 -1.20000 AFIX 65 C40 1 0.745846 0.391654 0.623488 21.00000 0.01744 0.02311 = 0.04337 0.00964 -0.00312 -0.00620 AFIX 43 H40 5 0.754000 0.336327 0.643022 21.00000 -1.20000 AFIX 66 PART 2 31.000 C35' 1 0.673977 0.408390 0.556698 31.00000 0.01924 0.01551 = 0.02234 -0.00513 0.00553 -0.00312 C36' 1 0.690070 0.482373 0.519486 31.00000 0.03746 0.02224 = 0.02185 -0.00064 0.00070 -0.00407 AFIX 43 H36' 5 0.657073 0.491119 0.466491 31.00000 -1.20000 AFIX 65 C37' 1 0.754440 0.543561 0.559814 31.00000 0.03942 0.01374 = 0.03459 -0.00525 0.00295 -0.00137 AFIX 43 H37' 5 0.765438 0.594126 0.534381 31.00000 -1.20000 AFIX 65 C38' 1 0.802720 0.530765 0.637353 31.00000 0.03204 0.02693 = 0.03346 -0.00837 0.00030 -0.01797 AFIX 43 H38' 5 0.846714 0.572584 0.664915 31.00000 -1.20000 AFIX 65 C39' 1 0.786628 0.456781 0.674566 31.00000 0.01685 0.03059 = 0.02198 -0.00791 0.01401 -0.00494 AFIX 43 H39' 5 0.819625 0.448036 0.727561 31.00000 -1.20000 AFIX 65 C40' 1 0.722258 0.395593 0.634240 31.00000 0.01453 0.02441 = 0.02296 -0.00185 0.00874 -0.00401 AFIX 43 H40' 5 0.711260 0.345029 0.659673 31.00000 -1.20000 AFIX 66 PART 3 41.000 C35" 1 0.670120 0.407264 0.551021 41.00000 0.02589 0.02906 = 0.02252 0.00049 0.01344 -0.00150 C36" 1 0.632481 0.488325 0.541131 41.00000 0.03304 0.03154 = 0.02657 -0.00375 0.00928 0.00196 AFIX 43 H36" 5 0.565683 0.498854 0.509519 41.00000 -1.20000 AFIX 65 C37" 1 0.692575 0.553981 0.577493 41.00000 0.04311 0.02447 = 0.02967 -0.00528 0.02148 -0.00209 AFIX 43 H37" 5 0.666850 0.609382 0.570733 41.00000 -1.20000 AFIX 65 C38" 1 0.790310 0.538576 0.623747 41.00000 0.04324 0.02204 = 0.04831 -0.00991 0.01219 -0.01624 AFIX 43 H38" 5 0.831382 0.583448 0.648599 41.00000 -1.20000 AFIX 65 C39" 1 0.827950 0.457515 0.633638 41.00000 0.03295 0.03197 = 0.06350 -0.00560 -0.00893 -0.00983 AFIX 43 H39" 5 0.894748 0.446987 0.665250 41.00000 -1.20000 AFIX 65 C40" 1 0.767857 0.391859 0.597275 41.00000 0.03197 0.02269 = 0.04539 -0.00372 0.00020 -0.00805 AFIX 43 H40" 5 0.793583 0.336457 0.604035 41.00000 -1.20000 part 0 AFIX 0 HKLF 4 REM mo_molan508e_150K_0m_a.res in P2(1)/n REM R1 = 0.0386 for 6166 Fo > 4sig(Fo) and 0.0578 for all 7938 data REM 537 parameters refined using 136 restraints END WGHT 0.0298 4.1066 REM Highest difference peak 0.427, deepest hole -0.361, 1-sigma level 0.061 Q1 1 0.0128 0.2781 0.6534 11.00000 0.05 0.43 Q2 1 0.9170 0.2618 0.3616 11.00000 0.05 0.31 Q3 1 0.5925 0.4029 0.3195 11.00000 0.05 0.27 Q4 1 1.0079 0.2561 0.3687 11.00000 0.05 0.27 Q5 1 0.7140 0.3985 0.5819 11.00000 0.05 0.27 ; _shelx_res_checksum 10031 _shelx_hkl_file ; 2 0 0 228.28 4.20 -2 0 0 219.28 4.20 2 0 0 228.58 4.20 -2 0 0 217.28 4.20 -3 0 0 -0.40 0.20 3 0 0 -0.50 0.20 3 0 0 -0.20 0.20 4 0 0 347.17 6.50 4 0 0 349.17 6.50 -4 0 0 344.47 6.50 -4 0 0 342.37 6.50 -5 0 0 -0.10 0.30 5 0 0 -0.20 0.30 5 0 0 -0.10 0.30 -5 0 0 -0.40 0.30 -6 0 0 543.85 10.40 -6 0 0 554.84 10.30 6 0 0 557.44 10.20 6 0 0 541.65 10.20 -7 0 0 0.30 0.40 7 0 0 0.10 0.40 -7 0 0 0.10 0.40 7 0 0 0.30 0.30 -8 0 0 103.19 2.60 8 0 0 102.89 2.40 8 0 0 103.19 2.50 -8 0 0 104.19 2.70 9 0 0 -0.70 0.40 -9 0 0 -0.20 0.60 -9 0 0 0.40 0.50 9 0 0 0.60 0.40 10 0 0 272.87 5.60 -10 0 0 276.27 6.00 -10 0 0 274.87 5.90 10 0 0 270.07 5.60 -11 0 0 1.10 0.70 11 0 0 0.10 0.50 -11 0 0 0.00 0.70 11 0 0 0.20 0.50 12 0 0 6.50 0.70 -12 0 0 5.70 1.10 -12 0 0 6.10 1.10 12 0 0 5.30 0.70 -13 0 0 -1.50 0.90 13 0 0 -1.00 0.50 -13 0 0 -1.60 1.00 13 0 0 -1.20 0.50 14 0 0 7.70 1.00 14 0 0 6.70 0.70 -14 0 0 6.50 1.30 -14 0 0 7.20 2.20 -15 0 0 -0.90 1.30 -15 0 0 0.50 1.30 -16 0 0 84.09 4.10 -16 0 0 79.79 3.90 -2 -1 0 815.62 14.80 2 -1 0 776.52 14.70 -2 -1 0 757.62 14.60 2 -1 0 810.32 14.90 -2 1 0 816.42 14.80 -2 1 0 823.72 15.00 2 1 0 822.62 14.80 2 1 0 811.52 14.80 -3 -1 0 1068.79 20.50 3 -1 0 1163.18 20.80 3 -1 0 1167.28 20.90 -3 -1 0 1114.09 20.60 -3 1 0 1108.09 20.60 3 1 0 1206.08 21.10 -3 1 0 1083.29 20.40 3 1 0 1180.58 21.10 -4 -1 0 5.30 0.50 4 -1 0 4.30 0.40 -4 -1 0 5.70 0.60 4 -1 0 5.10 0.40 4 1 0 5.90 0.50 4 1 0 5.10 0.50 -4 1 0 4.90 0.50 5 -1 0 92.89 2.00 -5 -1 0 95.89 2.30 5 -1 0 95.79 2.10 -5 -1 0 94.49 2.20 5 1 0 97.89 2.20 -5 1 0 96.59 2.10 5 1 0 98.19 2.20 -5 1 0 95.09 2.20 6 -1 0 25.10 0.90 -6 -1 0 24.50 1.10 -6 -1 0 25.10 1.10 6 -1 0 24.90 0.90 6 1 0 25.20 1.00 -6 1 0 24.40 1.00 6 1 0 25.00 1.00 -6 1 0 25.30 1.00 -7 -1 0 140.59 3.20 7 -1 0 140.09 3.00 7 -1 0 140.99 3.00 -7 -1 0 137.29 3.30 -7 1 0 141.79 3.20 7 1 0 142.19 3.10 7 1 0 138.69 3.10 -7 1 0 140.69 3.10 8 -1 0 0.90 0.40 -8 -1 0 1.00 0.60 -8 -1 0 0.90 0.50 8 -1 0 1.20 0.40 -8 1 0 1.30 0.50 -8 1 0 1.30 0.50 8 1 0 1.20 0.50 8 1 0 0.50 0.40 9 -1 0 -0.20 0.40 -9 -1 0 0.30 0.60 -9 -1 0 0.00 0.60 9 -1 0 -0.20 0.40 9 1 0 1.30 0.50 9 1 0 0.10 0.50 -9 1 0 0.40 0.60 -9 1 0 0.10 0.50 -10 -1 0 54.39 2.10 10 -1 0 52.19 1.60 10 -1 0 52.09 1.60 -10 -1 0 49.70 2.20 -10 1 0 54.89 2.10 10 1 0 52.49 1.80 -10 1 0 52.49 2.00 10 1 0 52.09 1.80 11 -1 0 -0.20 0.40 -11 -1 0 0.80 0.80 -11 -1 0 0.60 0.70 11 -1 0 0.00 0.50 11 1 0 -0.60 0.60 -11 1 0 0.10 0.70 11 1 0 -0.10 0.60 -11 1 0 0.40 0.70 -12 -1 0 21.20 1.90 12 -1 0 20.40 1.10 12 -1 0 17.70 1.10 12 1 0 18.80 1.40 12 1 0 17.60 1.30 -12 1 0 16.70 1.70 -12 1 0 18.30 1.80 13 -1 0 0.00 0.40 -13 -1 0 -0.20 1.00 13 -1 0 0.20 0.40 -13 -1 0 0.10 1.00 13 1 0 -0.20 0.60 -13 1 0 0.00 0.90 13 1 0 0.50 0.70 -13 1 0 -0.90 1.00 -14 -1 0 84.99 4.30 -14 -1 0 82.79 3.40 14 1 0 83.99 2.40 -14 1 0 87.89 3.40 14 1 0 86.29 2.40 -14 1 0 87.09 3.30 -15 -1 0 3.60 1.50 -15 -1 0 5.60 1.50 -15 1 0 4.70 1.40 -15 1 0 3.60 1.40 15 1 0 5.90 0.70 15 1 0 4.00 0.70 -16 -1 0 26.30 3.10 -16 -1 0 19.90 2.20 -16 1 0 23.90 3.10 -16 1 0 25.00 3.00 1 -2 0 23.50 0.70 1 -2 0 23.10 0.70 -1 -2 0 22.30 0.90 1 2 0 24.00 1.00 1 2 0 22.70 0.80 -2 -2 0 118.89 2.50 2 -2 0 119.59 2.30 -2 -2 0 123.79 2.50 2 -2 0 118.49 2.30 2 2 0 118.59 2.50 -2 2 0 123.39 2.40 2 2 0 121.99 2.50 -2 2 0 121.79 2.40 3 -2 0 2.10 0.40 -3 -2 0 3.50 0.50 3 -2 0 2.50 0.30 -3 -2 0 2.20 0.40 -3 2 0 2.80 0.40 3 2 0 1.90 0.30 3 2 0 4.20 0.60 -3 2 0 1.90 0.30 -4 -2 0 273.07 5.50 -4 -2 0 282.67 5.40 4 -2 0 280.87 5.20 4 -2 0 270.27 5.20 -4 2 0 273.37 5.30 4 2 0 276.17 5.40 4 2 0 281.77 5.40 -4 2 0 282.27 5.30 -5 -2 0 151.38 3.30 5 -2 0 153.38 3.00 5 -2 0 155.88 3.10 -5 -2 0 149.49 3.40 5 2 0 154.18 3.30 -5 2 0 160.18 3.20 5 2 0 155.88 3.30 -5 2 0 151.98 3.20 -6 -2 0 26.10 1.10 6 -2 0 23.00 0.80 -6 -2 0 25.40 1.20 6 -2 0 24.10 0.80 6 2 0 24.60 1.10 -6 2 0 23.90 1.00 6 2 0 23.60 1.00 -6 2 0 24.00 1.00 7 -2 0 182.28 3.70 7 -2 0 187.48 3.70 -7 -2 0 182.78 4.20 -7 -2 0 184.78 4.00 -7 2 0 181.88 4.00 -7 2 0 188.28 3.90 7 2 0 189.38 4.00 7 2 0 187.18 4.00 8 -2 0 1.80 0.40 8 -2 0 1.50 0.40 -8 -2 0 1.50 0.60 -8 -2 0 1.20 0.50 -8 2 0 1.00 0.50 -8 2 0 1.70 0.50 8 2 0 1.70 0.50 8 2 0 2.20 0.50 -9 -2 0 1.30 0.70 -9 -2 0 1.40 0.60 9 -2 0 2.00 0.40 9 -2 0 1.10 0.40 -9 2 0 1.30 0.60 9 2 0 1.30 0.60 9 2 0 2.10 0.60 -9 2 0 2.10 0.60 -10 -2 0 203.58 4.90 10 -2 0 197.68 4.10 10 -2 0 201.48 4.10 -10 -2 0 203.38 4.70 10 2 0 200.38 4.50 -10 2 0 204.38 4.70 10 2 0 203.08 4.50 -10 2 0 203.88 4.60 11 -2 0 25.00 1.10 -11 -2 0 28.30 1.80 -11 -2 0 27.50 2.00 11 -2 0 25.60 1.00 11 2 0 22.40 1.50 11 2 0 24.90 1.60 -11 2 0 27.40 1.70 -11 2 0 28.90 1.70 -12 -2 0 0.10 1.00 12 -2 0 0.60 0.30 12 -2 0 0.70 0.40 -12 -2 0 0.10 0.90 12 2 0 -0.40 0.60 12 2 0 -0.30 0.70 -12 2 0 -0.70 0.80 -12 2 0 0.20 0.80 -13 -2 0 -1.20 1.00 -13 -2 0 0.40 1.00 -13 2 0 0.90 0.90 13 2 0 -0.10 0.70 13 2 0 -0.90 0.70 -13 2 0 0.10 0.90 -14 -2 0 2.40 1.30 -14 -2 0 3.50 1.40 14 2 0 4.00 0.90 14 2 0 3.70 0.90 -14 2 0 3.30 1.20 -14 2 0 6.90 1.30 -15 -2 0 2.90 1.50 -15 -2 0 0.30 1.40 15 2 0 2.40 0.80 -15 2 0 0.30 1.20 -15 2 0 0.80 1.30 15 2 0 1.00 0.80 -16 -2 0 57.59 3.70 -16 -2 0 50.59 3.80 16 2 0 49.40 1.60 -16 2 0 47.40 3.30 16 2 0 50.59 1.70 -16 2 0 48.30 3.30 0 -3 0 -0.10 0.20 0 3 0 -0.10 0.20 0 3 0 -0.30 0.20 -1 -3 0 92.49 2.10 1 -3 0 87.39 1.90 -1 -3 0 95.49 2.00 1 -3 0 91.39 1.90 -1 3 0 90.39 1.90 1 3 0 92.49 2.00 -1 3 0 88.79 1.90 1 3 0 91.29 2.00 2 -3 0 14.20 0.60 -2 -3 0 15.10 0.70 -2 -3 0 14.20 0.80 2 -3 0 14.90 0.50 2 3 0 15.20 0.70 -2 3 0 16.10 0.60 -2 3 0 14.00 0.60 2 3 0 15.00 0.80 -3 -3 0 0.00 0.30 -3 -3 0 0.30 0.30 3 -3 0 0.10 0.20 3 -3 0 0.40 0.20 -3 3 0 0.10 0.20 3 3 0 0.00 0.30 -3 3 0 0.00 0.20 3 3 0 0.20 0.30 4 -3 0 168.38 3.30 -4 -3 0 170.08 3.50 4 -3 0 161.98 3.20 -4 -3 0 168.98 3.70 -4 3 0 163.88 3.40 4 3 0 169.68 3.60 4 3 0 173.98 3.50 -4 3 0 170.08 3.40 5 -3 0 8.90 0.50 -5 -3 0 8.80 0.80 5 -3 0 8.90 0.50 -5 -3 0 8.40 0.90 5 3 0 8.20 0.80 -5 3 0 9.40 0.70 -5 3 0 8.60 0.70 5 3 0 10.70 0.80 -6 -3 0 16.40 1.00 6 -3 0 16.90 0.70 6 -3 0 16.90 0.70 -6 -3 0 19.40 1.20 -6 3 0 16.70 0.90 6 3 0 17.00 1.00 6 3 0 15.50 1.00 -6 3 0 17.00 0.90 -7 -3 0 37.90 1.60 -7 -3 0 38.90 1.50 7 -3 0 38.10 1.10 7 -3 0 38.00 1.10 -7 3 0 38.50 1.40 7 3 0 38.80 1.50 7 3 0 36.50 1.40 -7 3 0 36.00 1.30 8 -3 0 3.30 0.40 8 -3 0 3.70 0.40 -8 -3 0 3.20 0.70 -8 -3 0 3.00 0.60 8 3 0 3.20 0.60 -8 3 0 3.60 0.60 8 3 0 4.10 0.70 -8 3 0 3.80 0.60 -9 -3 0 -0.30 0.70 -9 -3 0 -0.30 0.60 9 -3 0 0.40 0.30 9 -3 0 0.80 0.30 9 3 0 0.00 0.60 9 3 0 0.10 0.60 -9 3 0 0.40 0.60 -9 3 0 1.20 0.60 -10 -3 0 76.79 2.60 -10 -3 0 71.59 2.70 10 -3 0 75.29 1.80 10 -3 0 75.39 1.70 -10 3 0 75.29 2.40 -10 3 0 78.39 2.50 10 3 0 76.89 2.40 10 3 0 72.99 2.40 11 -3 0 2.20 0.30 -11 -3 0 2.90 0.90 11 -3 0 2.50 0.30 -11 -3 0 2.10 0.90 -11 3 0 2.90 0.80 11 3 0 2.80 0.80 11 3 0 1.50 0.70 -11 3 0 1.90 0.70 -12 -3 0 5.40 1.10 -12 -3 0 6.70 1.20 12 3 0 7.60 1.00 12 3 0 6.90 0.90 -12 3 0 6.60 1.00 -12 3 0 5.90 0.90 -13 -3 0 18.20 2.40 -13 -3 0 18.30 2.10 13 3 0 21.00 1.70 13 3 0 23.50 1.80 -13 3 0 23.20 2.00 -13 3 0 22.00 1.90 -14 -3 0 37.20 2.80 -14 -3 0 41.50 2.90 14 3 0 40.50 2.00 14 3 0 38.50 2.10 -14 3 0 37.60 2.40 -14 3 0 40.00 2.60 -15 -3 0 15.30 1.80 -15 -3 0 15.90 1.90 15 3 0 13.70 1.80 15 3 0 16.50 1.80 -15 3 0 14.20 1.60 -15 3 0 16.50 1.80 -16 -3 0 4.90 1.70 -16 -3 0 8.30 2.00 16 3 0 7.20 1.00 -16 3 0 4.10 1.50 16 3 0 6.90 1.00 -16 3 0 2.60 1.50 0 -4 0 4554.94 84.89 0 -4 0 4757.02 85.29 0 4 0 4545.75 84.99 0 4 0 4735.93 85.39 -1 -4 0 223.18 4.50 1 -4 0 219.08 4.30 -1 -4 0 217.08 4.30 -1 4 0 218.58 4.30 -1 4 0 222.68 4.40 1 4 0 218.88 4.40 1 4 0 223.38 4.50 -2 -4 0 69.69 1.90 2 -4 0 68.29 1.60 2 -4 0 69.09 1.50 -2 -4 0 69.99 1.70 -2 4 0 68.49 1.60 2 4 0 67.79 1.70 -2 4 0 68.39 1.60 2 4 0 67.49 1.80 -3 -4 0 1.40 0.30 3 -4 0 1.90 0.20 -3 -4 0 1.90 0.40 3 -4 0 1.20 0.20 -3 4 0 1.20 0.30 3 4 0 2.10 0.50 -3 4 0 1.20 0.30 3 4 0 1.40 0.40 -4 -4 0 198.18 4.10 -4 -4 0 201.38 4.30 4 -4 0 195.88 3.80 4 -4 0 193.18 3.80 -4 4 0 193.88 3.90 4 4 0 198.18 4.10 -4 4 0 200.68 3.90 4 4 0 199.48 4.20 5 -4 0 4.80 0.40 -5 -4 0 3.50 0.50 5 -4 0 4.70 0.50 -5 -4 0 3.30 0.60 -5 4 0 3.90 0.40 5 4 0 3.60 0.50 -5 4 0 4.70 0.60 5 4 0 3.80 0.60 -6 -4 0 497.95 9.60 -6 -4 0 496.55 9.80 6 -4 0 474.85 9.10 6 -4 0 493.25 9.10 6 4 0 506.65 9.60 -6 4 0 495.45 9.40 -6 4 0 492.55 9.40 6 4 0 504.05 9.60 7 -4 0 112.59 2.40 7 -4 0 118.89 2.40 -7 -4 0 117.99 3.20 -7 -4 0 115.99 2.90 -7 4 0 115.09 2.70 -7 4 0 116.49 2.80 7 4 0 117.19 2.90 7 4 0 120.09 3.00 8 -4 0 26.20 0.90 -8 -4 0 29.90 1.50 -8 -4 0 26.00 1.70 8 -4 0 26.50 0.80 -8 4 0 27.10 1.30 8 4 0 27.20 1.40 8 4 0 26.50 1.40 -8 4 0 28.10 1.30 9 -4 0 0.80 0.30 -9 -4 0 0.00 0.70 9 -4 0 0.00 0.40 -9 -4 0 -0.20 0.70 -9 4 0 0.40 0.50 9 4 0 0.50 0.60 9 4 0 -0.40 0.60 -9 4 0 -0.30 0.50 -10 -4 0 118.29 3.30 -10 -4 0 110.99 3.50 10 -4 0 108.29 2.30 10 -4 0 105.09 2.30 10 4 0 118.79 3.20 10 4 0 114.79 3.10 -10 4 0 116.09 3.10 -10 4 0 115.49 3.10 -11 -4 0 43.40 2.40 -11 -4 0 44.20 2.40 -11 4 0 43.20 2.00 11 4 0 43.80 2.00 -11 4 0 42.90 2.00 11 4 0 44.00 2.00 -12 -4 0 2.00 1.10 -12 -4 0 0.50 1.00 -12 4 0 2.10 0.90 -12 4 0 0.80 0.80 12 4 0 -0.10 0.80 12 4 0 2.60 0.80 -13 -4 0 26.90 3.00 -13 -4 0 32.50 2.50 -13 4 0 30.60 2.20 13 4 0 32.80 2.00 13 4 0 32.40 2.10 -13 4 0 33.00 2.10 -14 -4 0 -0.90 1.20 -14 -4 0 -1.50 1.30 -14 4 0 0.90 1.10 14 4 0 1.10 0.90 -14 4 0 0.30 1.00 14 4 0 -0.90 0.90 -15 -4 0 21.50 2.40 -15 -4 0 22.70 2.90 -15 4 0 27.10 2.60 15 4 0 25.70 2.10 -15 4 0 28.50 2.50 15 4 0 28.80 2.20 -16 -4 0 1.40 1.80 -16 -4 0 4.60 1.70 16 4 0 4.50 1.10 -16 4 0 6.00 1.60 -16 4 0 0.80 1.50 16 4 0 2.90 1.10 0 -5 0 -0.20 0.30 0 -5 0 0.40 0.30 0 5 0 -0.20 0.30 0 5 0 -0.10 0.30 1 -5 0 51.69 1.30 -1 -5 0 47.70 1.50 -1 -5 0 50.89 1.40 -1 5 0 50.89 1.50 1 5 0 50.09 1.60 1 5 0 47.90 1.40 -1 5 0 49.10 1.40 -2 -5 0 23.00 1.10 2 -5 0 23.40 0.80 -2 -5 0 23.90 1.00 2 -5 0 22.10 0.80 2 5 0 22.80 1.00 -2 5 0 23.20 0.90 -2 5 0 20.80 0.90 2 5 0 22.30 1.10 -3 -5 0 316.37 6.30 -3 -5 0 322.67 6.50 3 -5 0 319.77 6.10 3 -5 0 312.87 6.00 -3 5 0 315.37 6.10 -3 5 0 316.87 6.20 3 5 0 320.77 6.40 3 5 0 328.97 6.40 -4 -5 0 439.86 8.80 4 -5 0 437.86 8.20 4 -5 0 431.26 8.20 -4 -5 0 444.96 8.60 -4 5 0 442.26 8.30 4 5 0 456.05 8.60 4 5 0 443.06 8.70 -4 5 0 436.66 8.40 -5 -5 0 9.10 1.00 5 -5 0 9.40 0.60 5 -5 0 9.40 0.60 -5 -5 0 9.90 1.10 -5 5 0 10.00 0.80 -5 5 0 9.20 0.80 5 5 0 8.80 1.00 5 5 0 8.30 0.90 -6 -5 0 4.90 0.70 6 -5 0 5.40 0.60 6 -5 0 6.10 0.50 -6 -5 0 5.80 0.80 -6 5 0 4.10 0.50 -6 5 0 6.10 0.80 6 5 0 5.40 0.70 6 5 0 5.00 0.70 -7 -5 0 116.49 3.00 7 -5 0 113.79 2.40 7 -5 0 110.79 2.30 -7 -5 0 114.79 3.20 -7 5 0 110.89 2.70 7 5 0 115.09 3.00 7 5 0 113.39 3.00 -7 5 0 112.29 2.70 8 -5 0 -0.10 0.30 8 -5 0 0.30 0.20 -8 -5 0 0.20 0.70 -8 -5 0 0.00 0.70 -8 5 0 -0.60 0.50 8 5 0 -1.50 0.60 8 5 0 0.70 0.70 -8 5 0 0.10 0.50 -9 -5 0 8.70 1.00 9 -5 0 7.00 0.50 9 -5 0 6.40 0.70 -9 -5 0 6.80 1.00 -9 5 0 6.30 0.80 9 5 0 5.10 0.80 -9 5 0 7.00 0.80 9 5 0 7.50 0.90 -10 -5 0 117.39 3.50 -10 -5 0 117.89 3.80 10 5 0 121.59 3.40 -10 5 0 121.79 3.20 -10 5 0 120.89 3.20 10 5 0 119.59 3.40 -11 -5 0 0.40 1.00 -11 -5 0 0.40 1.00 -11 5 0 1.10 0.70 -11 5 0 1.00 0.70 11 5 0 0.70 0.80 11 5 0 1.10 0.80 -12 -5 0 7.00 1.30 -12 -5 0 4.30 1.30 -12 5 0 6.50 1.00 12 5 0 6.40 1.10 12 5 0 5.70 1.00 -12 5 0 5.20 1.00 -13 -5 0 78.19 3.60 -13 -5 0 73.19 3.30 13 5 0 79.29 2.90 -13 5 0 82.29 3.00 13 5 0 75.69 2.90 -13 5 0 79.19 3.00 -14 -5 0 16.30 2.00 -14 -5 0 17.10 1.80 14 5 0 17.00 2.10 -14 5 0 18.70 2.30 -14 5 0 18.20 2.10 14 5 0 19.40 2.20 -15 -5 0 9.40 1.80 -15 -5 0 8.40 1.90 -15 5 0 9.10 1.50 15 5 0 8.60 1.30 15 5 0 10.30 1.40 -15 5 0 8.00 1.40 0 -6 0 243.88 5.00 0 -6 0 245.98 4.90 0 6 0 251.87 5.10 0 6 0 244.38 5.00 -1 -6 0 80.19 2.00 -1 -6 0 76.49 2.10 1 -6 0 74.69 1.90 1 -6 0 77.09 1.90 1 6 0 77.69 2.00 -1 6 0 79.39 2.10 -1 6 0 77.09 2.00 1 6 0 79.09 2.20 -2 -6 0 6.90 0.70 -2 -6 0 5.20 0.70 2 -6 0 6.10 0.60 2 -6 0 7.30 0.60 -2 6 0 7.00 0.70 2 6 0 6.00 0.70 2 6 0 4.60 0.60 -2 6 0 7.50 0.80 3 -6 0 -0.20 0.30 -3 -6 0 0.10 0.40 -3 -6 0 -0.30 0.50 3 -6 0 0.10 0.30 3 6 0 -0.30 0.50 3 6 0 -0.30 0.40 -3 6 0 -0.40 0.30 4 -6 0 296.27 5.60 -4 -6 0 287.67 6.20 4 -6 0 286.07 5.60 -4 -6 0 288.57 6.00 4 6 0 291.27 6.00 -4 6 0 294.17 5.80 4 6 0 297.17 6.10 -4 6 0 290.07 5.80 -5 -6 0 63.39 2.00 5 -6 0 62.69 1.50 5 -6 0 61.79 1.50 -5 -6 0 62.09 2.20 5 6 0 63.19 2.00 -5 6 0 63.39 1.80 -5 6 0 58.89 1.70 5 6 0 60.49 2.10 6 -6 0 62.69 1.50 6 -6 0 65.59 1.60 -6 -6 0 64.59 2.30 -6 -6 0 66.39 2.10 -6 6 0 59.69 1.80 6 6 0 65.69 2.20 6 6 0 66.19 2.10 -6 6 0 66.39 1.90 -7 -6 0 126.79 3.60 7 -6 0 126.49 2.60 -7 -6 0 126.39 3.30 7 -6 0 120.89 2.50 7 6 0 122.19 3.20 -7 6 0 125.09 3.00 -7 6 0 124.99 3.00 7 6 0 129.19 3.30 -8 -6 0 1.40 0.70 8 -6 0 1.10 0.30 -8 -6 0 0.10 0.80 8 -6 0 0.70 0.20 -8 6 0 1.40 0.50 8 6 0 1.30 0.70 -8 6 0 0.80 0.60 8 6 0 1.20 0.70 -9 -6 0 17.20 1.60 -9 -6 0 16.10 1.80 -9 6 0 16.20 1.30 -9 6 0 14.80 1.30 9 6 0 16.40 1.50 9 6 0 18.70 1.60 -10 -6 0 155.08 4.20 -10 -6 0 154.88 4.50 10 6 0 153.08 4.10 -10 6 0 151.38 3.80 10 6 0 156.78 4.10 -10 6 0 154.88 3.80 -11 -6 0 22.80 2.10 -11 -6 0 22.20 2.30 11 6 0 19.30 1.90 -11 6 0 18.40 1.60 11 6 0 23.00 2.00 -11 6 0 18.50 1.60 -12 -6 0 28.20 2.40 -12 -6 0 25.00 3.10 -12 6 0 30.90 2.00 12 6 0 25.90 2.10 -12 6 0 26.70 1.90 12 6 0 30.90 2.10 -13 -6 0 6.70 1.60 -13 -6 0 6.50 1.40 -13 6 0 6.30 1.20 -13 6 0 6.20 1.20 13 6 0 7.10 1.30 13 6 0 6.20 1.20 -14 -6 0 5.00 1.50 -14 -6 0 2.50 1.60 14 6 0 4.10 1.20 -14 6 0 4.50 1.30 -14 6 0 3.60 1.20 -15 -6 0 -1.10 1.90 -15 -6 0 -1.50 1.60 15 6 0 0.70 1.20 -15 6 0 -1.20 1.30 -15 6 0 -0.60 1.20 0 -7 0 -0.20 0.40 0 -7 0 -0.50 0.40 0 7 0 -0.60 0.40 0 7 0 -0.40 0.50 -1 -7 0 9.60 0.90 1 -7 0 10.30 0.80 -1 -7 0 9.40 1.00 1 -7 0 9.10 0.80 1 7 0 9.60 1.10 -1 7 0 8.90 0.90 -1 7 0 10.00 1.00 1 7 0 9.30 0.90 -2 -7 0 340.67 7.00 2 -7 0 343.17 6.60 -2 -7 0 347.27 6.80 2 -7 0 335.57 6.70 -2 7 0 342.87 6.90 2 7 0 338.97 7.00 2 7 0 346.57 6.90 -2 7 0 336.37 6.70 -3 -7 0 266.47 5.50 3 -7 0 262.57 5.20 3 -7 0 260.27 5.20 -3 -7 0 260.07 5.70 3 7 0 268.87 5.50 3 7 0 254.77 5.60 -3 7 0 256.17 5.40 -3 7 0 259.97 5.30 4 -7 0 114.99 2.50 -4 -7 0 110.39 3.20 4 -7 0 119.59 2.60 -4 -7 0 114.09 2.90 4 7 0 114.49 3.00 -4 7 0 117.39 2.80 -4 7 0 113.39 2.70 4 7 0 115.29 3.10 -5 -7 0 -0.70 0.50 5 -7 0 0.10 0.30 5 -7 0 0.00 0.30 -5 -7 0 -0.80 0.60 5 7 0 -0.70 0.50 -5 7 0 -0.30 0.40 5 7 0 -0.40 0.60 -5 7 0 0.00 0.40 6 -7 0 0.00 0.30 6 -7 0 -0.20 0.30 -6 -7 0 0.30 0.70 -6 -7 0 -0.60 0.60 6 7 0 -1.00 0.60 -6 7 0 0.00 0.50 -6 7 0 -0.20 0.50 6 7 0 0.20 0.70 7 -7 0 52.59 1.30 7 -7 0 51.09 1.30 -7 -7 0 51.89 2.40 -7 -7 0 52.59 2.00 7 7 0 53.79 2.20 7 7 0 50.59 2.10 -7 7 0 49.50 1.80 -7 7 0 50.89 1.80 8 -7 0 21.10 0.70 -8 -7 0 22.50 1.70 8 -7 0 20.70 0.60 -8 -7 0 22.40 1.90 -8 7 0 22.00 1.40 -8 7 0 22.10 1.40 8 7 0 20.70 1.70 8 7 0 19.60 1.60 -9 -7 0 143.79 4.30 9 7 0 150.88 4.00 -9 7 0 145.39 3.60 -9 7 0 149.79 3.70 9 7 0 155.08 4.00 -10 -7 0 65.09 3.10 -10 -7 0 72.99 2.80 -10 7 0 65.79 2.40 10 7 0 67.29 2.70 10 7 0 68.39 2.70 -10 7 0 65.69 2.40 -11 -7 0 1.30 1.20 -11 -7 0 -1.30 1.00 -11 7 0 -0.30 0.80 -11 7 0 0.00 0.70 11 7 0 -0.40 1.00 11 7 0 1.30 0.90 -12 -7 0 9.00 1.60 -12 -7 0 8.90 1.40 -12 7 0 9.40 1.10 12 7 0 9.30 1.30 -13 -7 0 44.00 3.00 -13 -7 0 45.80 3.40 -13 7 0 43.70 2.50 -13 7 0 45.70 2.50 13 7 0 43.10 2.70 13 7 0 44.60 2.60 -14 -7 0 17.70 2.30 -14 -7 0 16.00 2.00 -14 7 0 13.30 2.30 14 7 0 14.50 1.70 -14 7 0 18.30 2.40 14 7 0 13.60 1.60 -15 -7 0 0.90 1.80 -15 -7 0 5.20 2.00 -15 7 0 5.20 1.40 -15 7 0 3.80 1.60 15 7 0 5.20 1.60 15 7 0 3.60 1.50 0 -8 0 62.29 2.00 0 -8 0 62.19 1.80 0 8 0 63.49 2.10 0 8 0 61.69 1.90 -1 -8 0 121.09 3.10 1 -8 0 114.29 2.90 -1 -8 0 128.89 3.00 1 -8 0 126.49 2.90 1 8 0 124.29 3.20 -1 8 0 119.29 3.10 -1 8 0 119.69 2.90 1 8 0 118.19 3.00 -2 -8 0 2.30 0.70 -2 -8 0 3.50 0.60 2 -8 0 3.30 0.50 2 -8 0 3.80 0.50 -2 8 0 4.40 0.70 2 8 0 4.90 0.80 -2 8 0 3.70 0.60 2 8 0 3.80 0.70 3 -8 0 3.80 0.50 -3 -8 0 3.30 0.80 3 -8 0 4.00 0.50 -3 -8 0 2.70 0.60 -3 8 0 3.50 0.60 3 8 0 2.90 0.70 -3 8 0 3.10 0.60 3 8 0 4.30 0.80 -4 -8 0 198.48 4.90 -4 -8 0 205.18 4.60 4 -8 0 201.68 4.20 4 -8 0 208.48 4.20 -4 8 0 195.18 4.50 4 8 0 210.88 4.90 -4 8 0 208.08 4.40 4 8 0 210.38 4.70 5 -8 0 103.19 2.40 5 -8 0 110.59 2.50 -5 -8 0 111.19 3.30 -5 -8 0 107.59 3.00 5 8 0 108.89 3.10 5 8 0 108.99 3.00 -5 8 0 107.39 2.70 -5 8 0 106.29 2.80 6 -8 0 0.10 0.30 -6 -8 0 0.20 0.70 -6 -8 0 -0.50 0.80 6 -8 0 -0.10 0.30 6 8 0 -0.60 0.80 -6 8 0 -0.20 0.50 6 8 0 -0.50 0.70 -6 8 0 -0.70 0.50 7 -8 0 133.39 2.80 -7 -8 0 137.89 4.00 7 -8 0 136.89 2.80 -7 -8 0 141.19 3.70 -7 8 0 140.49 3.50 -7 8 0 141.99 3.40 7 8 0 136.19 3.70 7 8 0 139.19 3.80 -8 -8 0 1.70 1.00 -8 -8 0 -0.10 0.90 8 -8 0 0.40 0.30 8 -8 0 0.60 0.30 8 8 0 -0.40 0.80 -8 8 0 0.80 0.60 -8 8 0 -0.30 0.60 8 8 0 2.00 0.90 -9 -8 0 53.29 2.80 -9 -8 0 55.79 2.50 -9 8 0 53.59 2.20 9 8 0 58.09 2.60 -9 8 0 49.60 2.10 9 8 0 53.59 2.40 -10 -8 0 66.99 3.20 -10 -8 0 63.69 2.80 10 8 0 61.69 3.30 -10 8 0 65.79 2.40 10 8 0 65.49 2.80 -10 8 0 65.99 2.50 -11 -8 0 106.69 4.10 -11 -8 0 112.59 3.80 -11 8 0 109.69 3.30 -11 8 0 109.89 3.40 11 8 0 109.69 3.60 11 8 0 109.79 3.60 -12 -8 0 3.20 1.50 -12 -8 0 2.00 1.30 -12 8 0 0.40 1.00 12 8 0 0.70 1.10 -12 8 0 0.20 0.90 12 8 0 0.80 1.20 -13 -8 0 44.00 3.10 -13 -8 0 46.10 3.60 13 8 0 44.40 3.10 13 8 0 49.90 3.00 -13 8 0 41.30 2.40 -13 8 0 43.20 2.70 -14 -8 0 -0.30 1.60 -14 -8 0 0.40 1.90 14 8 0 -0.60 1.50 14 8 0 -1.20 1.20 -14 8 0 1.00 1.30 -14 8 0 1.30 1.40 -15 -8 0 5.80 2.30 15 8 0 3.00 1.50 -15 8 0 2.80 1.50 -15 8 0 3.80 1.40 0 -9 0 -0.50 0.50 0 -9 0 0.00 0.60 0 9 0 -0.10 0.50 0 9 0 -0.20 0.60 -1 -9 0 10.40 1.20 1 -9 0 11.70 1.10 -1 -9 0 12.40 1.10 1 -9 0 12.20 1.00 -1 9 0 8.70 1.00 1 9 0 10.00 1.10 -1 9 0 11.00 1.20 1 9 0 10.80 1.30 2 -9 0 11.80 1.10 -2 -9 0 11.20 1.30 2 -9 0 13.90 1.00 -2 -9 0 12.10 1.10 2 9 0 13.60 1.20 2 9 0 14.20 1.40 -2 9 0 11.70 1.20 -2 9 0 13.20 1.10 -3 -9 0 395.76 8.40 3 -9 0 401.46 7.90 -3 -9 0 411.46 8.20 3 -9 0 403.36 7.90 3 9 0 408.86 8.30 -3 9 0 398.16 8.10 3 9 0 404.06 8.50 -3 9 0 411.16 8.30 4 -9 0 110.79 2.60 -4 -9 0 111.39 3.10 4 -9 0 111.09 2.60 -4 -9 0 109.89 3.40 4 9 0 110.19 3.10 4 9 0 111.09 3.30 -4 9 0 111.09 3.00 -4 9 0 112.19 2.90 -5 -9 0 12.60 1.60 5 -9 0 14.10 0.90 5 -9 0 12.90 0.90 -5 -9 0 13.30 1.40 -5 9 0 11.70 1.20 5 9 0 11.50 1.40 5 9 0 9.80 1.10 6 -9 0 1.30 0.40 -6 -9 0 1.20 0.80 -6 -9 0 1.00 0.90 6 -9 0 1.70 0.40 6 9 0 1.30 0.90 6 9 0 1.80 0.80 -6 9 0 1.40 0.70 -6 9 0 1.10 0.70 -7 -9 0 73.99 3.00 7 -9 0 74.99 1.80 7 -9 0 75.09 1.80 -7 -9 0 77.79 2.70 -7 9 0 75.59 2.50 7 9 0 78.39 2.70 7 9 0 74.29 2.80 -7 9 0 76.99 2.40 -8 -9 0 52.89 2.30 8 -9 0 48.00 1.30 -8 -9 0 51.19 2.70 8 -9 0 45.10 1.20 -8 9 0 51.79 2.00 8 9 0 49.40 2.50 8 9 0 55.19 2.40 -8 9 0 51.79 2.10 -9 -9 0 32.90 2.40 -9 -9 0 29.90 2.20 9 9 0 27.30 2.10 -9 9 0 27.70 1.70 -9 9 0 29.30 1.90 9 9 0 28.50 2.70 -10 -9 0 24.40 2.30 -10 -9 0 15.60 2.40 -10 9 0 21.20 1.80 10 9 0 21.90 2.00 -10 9 0 25.60 1.80 10 9 0 23.90 2.30 -11 -9 0 3.90 1.50 -11 -9 0 2.00 1.30 11 9 0 0.80 1.10 -11 9 0 1.90 0.90 11 9 0 2.30 1.30 -11 9 0 3.50 1.20 -12 -9 0 -0.60 1.30 -12 -9 0 1.60 1.60 -12 9 0 -0.10 1.10 12 9 0 0.30 2.20 12 9 0 -2.20 1.10 -12 9 0 -0.20 0.90 -13 -9 0 84.09 3.90 -13 -9 0 95.69 4.60 -13 9 0 84.49 3.50 -13 9 0 86.09 3.30 13 9 0 91.29 3.70 -14 -9 0 -1.50 2.00 -14 -9 0 -0.10 1.80 14 9 0 -0.40 1.40 -14 9 0 0.30 1.30 -14 9 0 1.10 1.20 0 -10 0 88.39 2.70 0 -10 0 90.49 2.50 0 10 0 89.69 2.90 0 10 0 89.29 2.70 1 -10 0 30.80 1.50 1 -10 0 29.80 1.40 -1 -10 0 28.60 1.50 -1 -10 0 26.70 1.70 1 10 0 29.10 1.90 1 10 0 30.60 1.60 -1 10 0 31.30 1.80 -1 10 0 29.00 1.50 -2 -10 0 0.90 0.80 2 -10 0 0.70 0.60 -2 -10 0 0.90 0.60 2 -10 0 0.70 0.50 2 10 0 0.40 0.80 -2 10 0 0.60 0.60 -2 10 0 0.80 0.70 2 10 0 -0.80 0.60 3 -10 0 1.10 0.50 -3 -10 0 2.00 0.70 -3 -10 0 0.60 0.80 3 -10 0 0.50 0.50 -3 10 0 0.90 0.70 3 10 0 1.40 0.70 3 10 0 1.30 0.90 -3 10 0 0.90 0.60 4 -10 0 7.60 1.00 -4 -10 0 4.80 1.00 -4 -10 0 5.10 0.90 4 -10 0 5.20 0.60 4 10 0 5.90 1.00 4 10 0 4.90 0.90 -4 10 0 5.40 0.80 -4 10 0 4.50 0.80 -5 -10 0 210.78 5.00 5 -10 0 205.38 4.40 5 -10 0 213.38 4.40 -5 -10 0 213.68 5.40 5 10 0 220.58 5.30 5 10 0 215.88 5.10 -5 10 0 209.28 4.90 -5 10 0 212.18 4.80 6 -10 0 8.20 0.90 6 -10 0 7.80 0.80 -6 -10 0 8.00 1.10 -6 -10 0 6.40 1.20 -6 10 0 6.70 0.90 6 10 0 6.00 1.10 6 10 0 7.90 1.10 7 -10 0 29.80 1.00 -7 -10 0 30.70 2.30 7 -10 0 29.90 1.10 -7 -10 0 31.00 2.00 7 10 0 29.20 2.00 -7 10 0 28.50 1.80 -7 10 0 29.60 1.70 7 10 0 29.40 2.60 8 -10 0 -0.30 0.40 -8 -10 0 -1.40 1.00 -8 -10 0 0.60 0.80 8 -10 0 -0.10 0.30 8 10 0 -0.30 1.00 -8 10 0 -0.70 0.70 8 10 0 -0.60 0.90 -8 10 0 0.20 0.80 -9 -10 0 0.90 1.00 -9 10 0 1.30 0.80 9 10 0 2.60 1.00 -9 10 0 1.50 0.90 9 10 0 -1.10 1.10 -10 -10 0 11.40 1.80 -10 -10 0 10.40 1.40 -10 10 0 9.90 1.10 10 10 0 11.10 1.60 10 10 0 9.60 1.40 -10 10 0 9.80 1.20 -11 -10 0 195.18 5.50 -11 -10 0 198.98 6.10 -11 10 0 195.48 5.20 -11 10 0 196.58 4.90 11 10 0 195.08 5.40 -12 -10 0 -2.90 1.60 -12 -10 0 -1.40 1.40 -12 10 0 -0.20 1.10 12 10 0 0.20 1.30 -12 10 0 1.00 1.00 -13 -10 0 59.89 3.60 -13 -10 0 57.59 4.30 -13 10 0 56.09 3.20 13 10 0 55.49 3.50 13 10 0 58.59 3.40 -14 -10 0 3.10 2.30 14 10 0 3.90 1.60 -14 10 0 1.70 1.30 -14 10 0 3.50 1.50 14 10 0 -0.30 1.70 0 -11 0 -0.80 0.60 0 -11 0 -0.80 0.70 0 11 0 -0.80 0.60 0 11 0 -1.50 0.80 -1 -11 0 11.20 1.50 -1 -11 0 8.70 0.90 1 -11 0 8.80 1.10 -1 11 0 7.60 0.90 1 11 0 8.70 1.20 -1 11 0 7.50 1.10 1 11 0 8.20 1.00 2 -11 0 37.00 1.70 2 -11 0 37.80 1.60 -2 -11 0 39.70 2.10 -2 -11 0 36.10 1.80 -2 11 0 35.80 1.80 -2 11 0 39.00 2.00 2 11 0 35.40 1.90 2 11 0 39.40 2.10 3 -11 0 120.59 3.10 3 -11 0 122.59 3.00 -3 -11 0 123.59 3.40 -3 -11 0 117.69 3.60 3 11 0 119.39 3.50 3 11 0 117.99 3.70 -3 11 0 118.89 3.30 -3 11 0 117.39 3.50 -4 -11 0 24.80 1.80 4 -11 0 25.10 1.30 -4 -11 0 21.40 2.00 4 -11 0 23.70 1.30 -4 11 0 21.90 1.60 -4 11 0 25.20 1.90 4 11 0 23.90 1.80 4 11 0 26.60 2.20 5 -11 0 0.20 0.50 5 -11 0 0.40 0.50 -5 -11 0 0.80 0.90 -5 -11 0 0.80 0.90 -5 11 0 0.70 0.80 5 11 0 1.40 0.90 -5 11 0 0.80 0.70 5 11 0 1.90 1.00 6 -11 0 10.30 1.00 -6 -11 0 7.90 1.10 6 -11 0 11.80 1.00 -6 -11 0 10.50 1.40 -6 11 0 12.90 1.60 -6 11 0 8.00 1.00 6 11 0 9.50 1.60 6 11 0 9.00 1.20 -7 -11 0 13.60 1.60 7 -11 0 16.90 0.90 7 -11 0 18.10 1.00 7 11 0 21.40 1.90 -7 11 0 17.50 1.60 -7 11 0 15.40 1.70 7 11 0 17.80 2.10 -8 -11 0 28.00 3.40 8 -11 0 26.30 1.00 8 -11 0 28.20 1.00 -8 11 0 33.80 1.90 8 11 0 34.00 2.50 8 11 0 37.30 2.30 -9 -11 0 15.80 1.90 -9 11 0 15.00 1.40 9 11 0 11.30 2.50 -9 11 0 13.80 1.70 -10 -11 0 57.89 3.50 -10 -11 0 51.89 2.90 -10 11 0 64.49 2.60 10 11 0 57.99 3.10 -10 11 0 63.29 3.10 -11 -11 0 7.80 1.70 -11 -11 0 9.50 2.00 -11 11 0 10.00 1.30 11 11 0 10.70 1.60 -11 11 0 9.60 1.50 -12 -11 0 2.40 1.90 -12 -11 0 2.90 1.60 12 11 0 1.70 1.50 -12 11 0 2.10 1.10 12 11 0 -0.30 1.50 -12 11 0 2.50 1.30 -13 -11 0 7.00 1.90 -13 -11 0 9.70 2.40 -13 11 0 6.20 1.40 13 11 0 6.60 1.60 -13 11 0 5.00 1.50 13 11 0 4.90 1.80 0 -12 0 45.60 2.00 0 -12 0 46.20 2.10 0 12 0 45.50 2.50 0 12 0 43.60 2.10 -1 -12 0 -0.20 0.70 1 -12 0 -0.70 0.60 -1 -12 0 -0.60 0.80 1 12 0 -1.40 0.70 -1 12 0 0.80 0.90 -1 12 0 -0.50 0.80 1 12 0 -0.90 1.00 -2 -12 0 2.00 0.90 -2 -12 0 3.70 0.90 2 -12 0 5.00 0.80 2 -12 0 2.30 0.80 -2 12 0 4.30 1.10 2 12 0 4.10 1.20 -2 12 0 3.20 0.80 2 12 0 2.10 0.90 3 -12 0 9.20 1.00 3 -12 0 7.60 0.80 -3 -12 0 10.80 1.30 -3 -12 0 9.50 1.10 3 12 0 9.10 1.20 -3 12 0 9.30 1.20 3 12 0 8.10 1.30 -3 12 0 8.30 1.00 -4 -12 0 7.80 1.30 4 -12 0 6.60 0.80 4 -12 0 6.90 0.80 -4 -12 0 6.60 1.20 -4 12 0 6.70 1.10 -4 12 0 5.60 0.90 4 12 0 5.80 1.50 4 12 0 7.80 1.10 -5 -12 0 159.88 4.70 5 -12 0 156.58 3.60 5 -12 0 158.88 3.70 -5 -12 0 166.48 4.40 -5 12 0 161.58 4.10 5 12 0 157.28 4.40 5 12 0 161.88 4.70 -5 12 0 161.98 4.40 -6 -12 0 0.90 1.10 6 -12 0 1.40 0.50 6 -12 0 0.60 0.50 -6 -12 0 0.80 1.00 6 12 0 2.10 1.00 -6 12 0 -0.20 0.70 -6 12 0 1.80 0.90 6 12 0 2.30 1.20 7 -12 0 8.60 0.90 7 -12 0 8.40 0.90 -7 -12 0 8.30 2.40 -7 12 0 8.10 1.10 7 12 0 6.40 1.30 7 12 0 8.70 1.30 -7 12 0 7.40 1.20 -8 -12 0 4.40 1.50 -8 12 0 5.40 1.30 -8 12 0 5.10 1.00 8 12 0 5.20 1.40 -9 -12 0 6.30 1.60 9 12 0 5.60 1.40 -9 12 0 5.40 1.10 -10 -12 0 2.00 1.70 -10 -12 0 -1.10 1.30 -10 12 0 0.30 1.00 10 12 0 0.00 1.30 10 12 0 -1.80 1.50 -11 -12 0 29.90 3.10 -11 -12 0 29.20 3.60 -11 12 0 31.30 2.30 -11 12 0 30.80 2.80 11 12 0 34.80 3.10 11 12 0 27.90 3.20 -12 -12 0 0.00 2.10 -12 -12 0 -1.40 1.60 12 12 0 0.40 1.50 12 12 0 -1.90 1.70 -12 12 0 1.10 1.20 -12 12 0 -0.50 1.40 -13 -12 0 4.40 2.20 -13 12 0 3.30 1.70 -13 12 0 2.20 1.30 13 12 0 3.40 1.70 13 12 0 2.00 1.90 0 13 0 -1.50 1.10 -1 -13 0 16.10 1.90 -1 -13 0 14.40 1.70 1 -13 0 17.60 1.60 1 13 0 14.30 1.40 -1 13 0 13.40 1.70 -1 13 0 16.60 2.20 2 -13 0 -0.50 0.70 -2 -13 0 -2.00 1.00 -2 -13 0 -2.10 0.80 2 -13 0 -1.50 0.70 2 13 0 -1.90 0.90 -2 13 0 -1.00 0.80 -2 13 0 -1.10 1.00 3 -13 0 171.38 4.10 -3 -13 0 168.08 4.80 3 -13 0 165.48 4.00 -3 13 0 168.28 4.70 3 13 0 158.28 4.50 -3 13 0 168.08 4.40 -4 -13 0 41.20 2.60 4 -13 0 40.20 1.80 4 -13 0 40.20 1.80 -4 -13 0 38.10 2.30 -4 13 0 39.90 2.20 -4 13 0 43.80 2.50 4 13 0 39.10 2.30 5 -13 0 18.00 1.30 5 -13 0 17.20 1.30 -5 -13 0 18.60 2.20 -5 -13 0 19.50 2.00 -5 13 0 19.80 1.80 -5 13 0 19.80 2.10 5 13 0 19.60 2.00 -6 -13 0 -0.80 0.90 6 -13 0 1.50 0.50 6 -13 0 0.90 0.60 6 13 0 0.60 1.10 -6 13 0 1.30 0.90 -7 -13 0 7.50 1.60 7 -13 0 7.00 0.90 7 -13 0 7.90 1.00 -7 13 0 6.40 1.00 -7 13 0 8.30 1.40 7 13 0 5.90 1.30 -8 -13 0 24.30 2.80 -8 13 0 27.70 2.00 -8 13 0 28.20 2.50 8 13 0 26.50 2.50 -9 -13 0 43.40 3.50 -9 13 0 41.90 2.40 9 13 0 40.50 2.90 9 13 0 40.50 3.20 -9 13 0 43.40 2.90 -10 -13 0 11.30 1.70 -10 -13 0 12.90 2.20 10 13 0 9.60 1.90 -10 13 0 7.80 1.60 10 13 0 11.00 1.80 -10 13 0 11.90 1.40 -11 -13 0 0.00 2.00 -11 -13 0 0.60 1.70 11 13 0 2.40 1.70 -11 13 0 4.60 1.40 11 13 0 1.60 1.70 -12 -13 0 -5.50 2.10 12 13 0 2.50 1.60 -12 13 0 -0.20 1.20 12 13 0 -2.60 1.90 0 -14 0 2.50 0.90 0 -14 0 1.10 1.00 0 14 0 1.30 1.00 0 14 0 3.10 1.40 -1 -14 0 139.19 4.20 -1 -14 0 131.89 3.90 1 -14 0 137.19 3.80 1 14 0 141.69 4.20 -1 14 0 135.59 4.00 1 14 0 138.69 4.60 -1 14 0 145.89 4.60 2 -14 0 12.90 1.60 -2 -14 0 9.60 1.30 -2 -14 0 8.10 1.30 2 -14 0 13.50 1.60 -2 14 0 8.70 1.20 2 14 0 7.90 1.60 2 14 0 9.90 1.40 -2 14 0 10.60 1.50 -3 -14 0 20.80 2.10 -3 -14 0 19.10 2.20 3 -14 0 19.40 1.60 3 -14 0 19.40 1.70 -3 14 0 19.10 2.30 -3 14 0 20.90 1.90 3 14 0 15.60 1.90 -4 -14 0 7.70 1.50 4 -14 0 8.10 0.90 -4 -14 0 8.60 1.30 4 -14 0 10.80 1.40 -4 14 0 7.20 1.20 4 14 0 3.60 2.00 -4 14 0 7.00 1.30 5 -14 0 13.30 1.40 -5 -14 0 12.70 2.00 5 -14 0 14.20 1.30 5 14 0 11.30 1.50 -5 14 0 18.60 2.30 -5 14 0 15.70 1.90 -6 -14 0 -1.00 1.30 6 -14 0 -0.80 0.50 6 -14 0 -0.40 0.60 -6 14 0 -0.90 1.10 6 14 0 1.30 1.10 -6 14 0 -0.50 0.90 7 -14 0 49.50 1.60 7 -14 0 52.69 1.70 -7 -14 0 52.59 2.90 -7 -14 0 55.09 3.50 7 14 0 50.69 3.40 7 14 0 48.90 3.00 -7 14 0 47.80 2.40 -7 14 0 56.69 3.00 -8 -14 0 3.30 1.60 -8 -14 0 2.90 1.40 8 14 0 1.10 1.30 -8 14 0 2.50 1.30 -8 14 0 2.80 1.10 8 14 0 3.20 1.60 -9 -14 0 7.40 1.70 -9 -14 0 1.90 1.80 -9 14 0 3.70 1.50 -9 14 0 4.30 1.30 9 14 0 3.30 1.80 9 14 0 9.20 1.70 -10 -14 0 19.90 2.20 -10 -14 0 19.10 2.50 -10 14 0 20.70 2.10 10 14 0 25.70 3.10 -10 14 0 23.60 2.30 10 14 0 12.90 2.10 -11 -14 0 17.40 3.50 -11 -14 0 22.40 2.80 11 14 0 22.70 2.60 -11 14 0 20.60 2.30 -11 14 0 21.20 2.60 11 14 0 27.10 3.50 -12 -14 0 18.90 2.90 -12 14 0 15.00 1.70 12 14 0 28.40 3.70 -12 14 0 15.50 2.30 12 14 0 9.90 2.40 0 -15 0 2.80 1.20 0 -15 0 2.50 1.60 1 -15 0 133.49 4.00 1 -15 0 125.09 3.70 -1 -15 0 127.89 3.90 -1 -15 0 122.39 4.10 -1 15 0 125.09 4.10 1 15 0 133.69 4.70 -1 15 0 135.79 4.70 1 15 0 124.99 4.50 2 -15 0 43.30 2.30 -2 -15 0 47.00 2.80 2 -15 0 43.30 2.20 -2 -15 0 41.70 2.50 -2 15 0 44.70 3.00 2 15 0 47.00 4.00 -2 15 0 42.20 2.50 3 -15 0 -0.30 0.80 -3 -15 0 -0.70 1.30 -3 -15 0 0.60 1.00 3 -15 0 -0.30 0.90 -3 15 0 0.70 1.30 3 15 0 -0.50 1.10 -3 15 0 0.90 1.00 4 -15 0 45.10 2.10 -4 -15 0 51.59 3.10 4 -15 0 47.80 2.10 -4 15 0 46.00 3.10 4 15 0 47.20 2.80 -4 15 0 48.20 2.50 5 -15 0 -1.20 0.70 5 -15 0 -0.40 0.70 -5 -15 0 -1.40 1.30 -5 15 0 -2.70 1.20 5 15 0 -0.50 1.20 -5 15 0 1.20 1.00 6 -15 0 1.20 0.70 -6 -15 0 0.10 1.50 6 -15 0 0.80 0.70 -6 -15 0 -0.80 1.20 6 15 0 -0.40 1.60 6 15 0 0.70 1.30 -6 15 0 3.20 1.30 -6 15 0 0.60 1.00 -7 -15 0 9.20 1.60 7 -15 0 9.10 1.10 7 -15 0 10.50 1.00 -7 -15 0 12.10 2.00 7 15 0 11.00 1.80 -7 15 0 11.80 1.80 -7 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1.30 -12 11 2 0.10 1.10 -12 11 2 -0.60 0.90 -11 -11 2 2.50 1.60 -11 -11 2 -1.50 1.30 11 11 -2 -2.10 1.20 11 11 -2 0.30 1.40 -11 11 2 1.00 1.20 -11 11 2 0.30 0.90 -10 -11 2 5.60 1.70 -10 -11 2 7.30 1.40 10 11 -2 3.40 1.30 -10 11 2 8.30 1.00 -10 11 2 6.40 1.10 -9 -11 2 107.29 3.70 -9 -11 2 105.09 4.20 -9 11 2 107.19 3.10 9 11 -2 115.89 3.90 9 11 -2 109.69 3.70 -8 -11 2 1.50 0.90 -8 -11 2 4.90 1.30 8 11 -2 6.90 1.10 8 11 -2 4.10 1.20 -8 11 2 4.70 0.90 -7 -11 2 4.90 1.20 -7 11 2 3.90 0.80 7 11 -2 4.20 1.20 7 11 -2 5.40 1.10 -7 11 2 4.90 0.90 -6 -11 2 0.70 1.00 -6 -11 2 -1.60 0.80 -6 11 2 0.40 0.70 6 11 -2 -0.30 0.90 -6 11 2 0.60 0.70 6 11 -2 -0.50 1.80 -5 -11 2 27.70 2.00 5 -11 -2 26.60 1.00 5 -11 -2 25.90 1.00 -5 -11 2 28.00 2.10 5 11 -2 25.30 2.20 5 11 -2 25.90 1.80 -5 11 2 26.10 1.80 -5 11 2 25.20 1.60 4 -11 -2 13.10 0.90 -4 -11 2 12.90 1.60 -4 -11 2 10.20 1.30 4 -11 -2 13.20 1.00 4 11 -2 9.70 1.10 -4 11 2 12.30 1.50 4 11 -2 10.90 1.30 -4 11 2 11.70 1.30 3 -11 -2 183.48 4.10 3 -11 -2 188.58 4.00 -3 -11 2 193.48 4.90 -3 -11 2 185.98 4.60 3 11 -2 189.28 4.70 -3 11 2 187.98 4.40 -3 11 2 188.38 4.70 3 11 -2 187.68 4.90 2 -11 -2 14.20 1.10 -2 -11 2 16.50 1.70 -2 -11 2 14.10 1.50 2 -11 -2 11.60 1.20 -2 11 2 13.40 1.60 2 11 -2 13.00 1.60 -2 11 2 12.80 1.40 2 11 -2 14.00 1.40 1 -11 -2 10.60 1.30 -1 -11 2 8.20 1.00 1 -11 -2 9.00 1.10 -1 -11 2 7.60 0.90 1 11 -2 8.40 1.00 -1 11 2 9.70 1.30 -1 11 2 8.30 1.00 1 11 -2 8.10 1.20 0 -11 2 22.20 1.60 0 -11 2 19.70 1.50 0 -11 -2 21.10 1.40 0 -11 -2 21.70 1.60 0 11 -2 20.10 1.60 0 11 2 21.90 1.80 0 11 2 19.70 1.50 0 11 -2 20.80 1.90 -1 -11 -2 58.99 2.30 1 -11 2 57.09 2.30 -1 -11 -2 61.89 2.10 1 -11 2 58.59 2.20 -1 11 -2 58.79 2.30 1 11 2 62.69 2.50 -1 11 -2 62.19 2.60 1 11 2 56.79 2.20 -2 -11 -2 51.59 2.00 -2 -11 -2 53.79 2.30 2 -11 2 51.59 2.00 2 -11 2 51.09 2.00 -2 11 -2 53.69 2.40 -2 11 -2 49.70 2.10 2 11 2 49.40 2.20 2 11 2 51.79 2.40 -3 -11 -2 2.20 0.80 3 -11 2 3.20 0.80 3 -11 2 1.90 0.70 -3 -11 -2 3.00 0.90 -3 11 -2 2.80 0.90 3 11 2 1.20 0.80 3 11 2 3.00 1.00 -3 11 -2 1.60 0.80 -4 -11 -2 1.60 1.00 -4 -11 -2 1.20 0.80 4 -11 2 2.10 0.70 4 -11 2 2.30 0.70 4 11 2 1.40 0.90 4 11 2 1.00 1.00 -4 11 -2 1.30 0.90 -4 11 -2 1.40 0.80 5 -11 2 6.30 0.80 5 -11 2 7.90 0.90 -5 -11 -2 6.50 1.30 -5 -11 -2 7.70 1.80 -5 11 -2 7.20 1.10 5 11 2 6.80 1.10 -5 11 -2 5.60 0.90 5 11 2 10.00 2.00 6 -11 2 0.40 0.60 -6 -11 -2 0.90 1.10 -6 -11 -2 0.80 0.90 6 -11 2 0.20 0.60 -6 11 -2 0.50 0.80 6 11 2 0.70 1.10 -6 11 -2 1.00 0.90 6 11 2 -0.40 0.90 -7 -11 -2 64.39 3.20 7 -11 2 67.09 2.20 7 -11 2 67.09 2.10 -7 11 -2 65.29 2.60 7 11 2 68.19 3.10 7 11 2 62.99 2.80 8 -11 2 5.40 0.70 8 -11 2 4.60 0.70 -8 -11 -2 5.70 1.50 -8 11 -2 2.30 1.20 -8 11 -2 3.90 1.00 -9 -11 -2 -1.10 1.40 9 -11 2 0.80 0.50 9 -11 2 1.40 0.60 -9 11 -2 0.20 0.90 9 11 2 -0.20 1.20 -9 11 -2 1.10 1.10 10 -11 2 0.30 0.50 10 -11 2 1.10 0.40 -10 -11 -2 0.40 1.20 -10 -11 -2 2.40 1.70 -10 11 -2 0.00 1.10 10 11 2 1.60 1.30 10 11 2 2.30 1.70 -10 11 -2 0.90 0.90 -11 -11 -2 16.00 2.30 -11 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1.90 -8 -10 -3 11.20 2.40 8 -10 3 9.10 0.90 8 -10 3 10.30 1.20 -8 10 -3 9.00 1.10 -8 10 -3 9.30 1.70 8 10 3 10.10 1.30 8 10 3 11.10 1.50 -9 -10 -3 7.40 1.60 9 -10 3 5.50 0.80 9 -10 3 6.10 0.80 9 10 3 6.60 1.30 -9 10 -3 4.80 1.20 -9 10 -3 4.50 1.00 10 -10 3 1.30 0.60 -10 -10 -3 0.60 1.50 10 -10 3 0.60 0.70 -10 10 -3 0.20 1.10 10 10 3 -0.40 1.30 -10 10 -3 1.10 0.90 -11 -10 -3 8.40 1.70 -11 -10 -3 9.70 2.00 11 -10 3 10.00 1.20 11 -10 3 9.40 1.10 -11 10 -3 9.80 1.60 11 10 3 7.60 1.50 -11 10 -3 10.40 1.60 11 10 3 9.50 1.80 -12 -10 -3 152.18 5.20 -12 -10 -3 150.28 5.80 -12 10 -3 150.28 5.00 12 10 3 149.09 5.10 -12 10 -3 153.98 4.60 12 10 3 149.49 5.20 -13 -10 -3 0.10 2.10 13 10 3 -0.50 1.50 13 10 3 -1.50 1.80 -13 10 -3 -0.70 1.30 -13 10 -3 0.70 1.50 -14 -11 3 18.00 2.70 14 11 -3 25.10 3.10 -14 11 3 25.10 2.40 -14 11 3 28.00 2.80 -13 -11 3 21.10 2.20 -13 -11 3 18.80 2.60 13 11 -3 22.20 2.80 -13 11 3 25.20 2.50 -13 11 3 27.30 2.10 -12 -11 3 3.60 1.80 -12 -11 3 5.20 1.70 12 11 -3 5.50 1.40 -12 11 3 5.10 1.00 -11 -11 3 2.60 1.50 -11 -11 3 3.80 1.60 -11 11 3 3.00 0.90 11 11 -3 0.70 1.20 -11 11 3 4.20 1.00 -10 -11 3 0.70 1.50 -10 -11 3 0.50 1.30 -10 11 3 1.80 0.80 10 11 -3 3.70 1.20 10 11 -3 -0.30 1.30 -10 11 3 1.80 0.90 -9 -11 3 12.90 1.80 -9 -11 3 9.60 1.40 -9 11 3 15.30 1.50 9 11 -3 11.30 1.60 9 11 -3 9.30 1.30 -8 -11 3 79.19 3.40 -8 -11 3 70.99 3.00 -8 11 3 76.39 2.60 8 11 -3 78.99 3.00 -8 11 3 74.09 2.40 8 11 -3 83.19 3.30 -7 -11 3 8.70 1.40 -7 -11 3 6.50 1.10 -7 11 3 7.30 0.90 -7 11 3 8.30 1.00 7 11 -3 7.30 1.50 7 11 -3 8.20 1.20 -6 -11 3 54.19 2.40 -6 -11 3 50.19 2.60 -6 11 3 49.99 2.00 -6 11 3 54.49 2.20 6 11 -3 51.79 2.40 6 11 -3 50.49 3.00 5 -11 -3 0.00 0.30 5 -11 -3 0.20 0.30 -5 -11 3 -0.30 0.90 -5 -11 3 -0.20 1.00 5 11 -3 -0.90 0.80 -5 11 3 0.40 0.70 5 11 -3 -0.10 1.00 -5 11 3 0.00 0.60 4 -11 -3 20.80 1.00 4 -11 -3 21.90 0.90 -4 -11 3 20.40 2.00 -4 -11 3 21.70 1.70 -4 11 3 21.90 1.70 4 11 -3 21.40 2.10 4 11 -3 20.60 1.70 -4 11 3 20.40 1.50 3 -11 -3 2.50 0.50 -3 -11 3 2.80 1.00 3 -11 -3 1.90 0.50 -3 -11 3 1.90 0.90 3 11 -3 2.50 0.90 -3 11 3 1.60 0.70 3 11 -3 2.30 1.00 -3 11 3 1.50 0.80 -2 -11 3 53.79 2.40 2 -11 -3 49.40 1.70 -2 -11 3 51.49 2.20 -2 11 3 51.29 2.00 2 11 -3 49.80 2.60 2 11 -3 52.19 2.30 -2 11 3 53.59 2.30 1 -11 -3 31.30 1.40 -1 -11 3 28.50 1.80 1 -11 -3 27.60 1.60 -1 -11 3 32.20 1.90 1 11 -3 30.40 2.10 -1 11 3 30.90 1.90 1 11 -3 24.60 1.80 -1 11 3 29.70 1.70 0 -11 -3 28.00 1.70 0 -11 3 29.60 1.80 0 -11 -3 33.80 1.50 0 11 -3 29.60 2.10 0 11 -3 29.20 1.80 0 11 3 32.30 2.00 0 11 3 29.20 1.60 -1 -11 -3 17.10 1.60 -1 -11 -3 19.60 1.40 1 -11 3 17.60 1.50 1 -11 3 17.50 1.60 1 11 3 15.20 1.40 1 11 3 20.20 1.80 -1 11 -3 20.60 1.90 -1 11 -3 16.70 1.60 2 -11 3 7.40 1.00 -2 -11 -3 7.60 0.90 2 -11 3 5.50 0.90 -2 -11 -3 5.50 1.00 2 11 3 5.70 1.00 -2 11 -3 6.90 1.10 -2 11 -3 5.40 0.90 2 11 3 6.40 1.10 3 -11 3 28.30 1.70 -3 -11 -3 30.90 1.80 -3 -11 -3 31.50 2.10 3 -11 3 27.10 1.70 -3 11 -3 28.00 1.80 3 11 3 29.30 2.20 -3 11 -3 29.90 2.00 3 11 3 25.60 1.80 -4 -11 -3 269.77 6.40 4 -11 3 262.07 5.80 -4 -11 -3 270.47 6.00 4 -11 3 263.97 5.70 -4 11 -3 259.97 6.00 4 11 3 260.67 6.10 -4 11 -3 259.97 6.20 4 11 3 254.17 6.50 5 -11 3 79.19 2.50 -5 -11 -3 73.19 3.10 5 -11 3 76.89 2.40 -5 -11 -3 61.89 3.70 5 11 3 75.69 3.10 -5 11 -3 79.99 2.70 -5 11 -3 80.69 3.00 5 11 3 79.59 2.90 -6 -11 -3 2.60 1.00 -6 -11 -3 2.30 1.10 6 -11 3 2.20 0.80 6 -11 3 1.80 0.70 6 11 3 2.70 1.10 -6 11 -3 1.20 1.00 6 11 3 -0.10 0.90 -6 11 -3 1.70 0.90 -7 -11 -3 1.10 1.20 7 -11 3 0.00 0.60 -7 -11 -3 -1.20 1.30 7 -11 3 -0.40 0.70 7 11 3 0.90 1.10 -7 11 -3 -1.20 0.80 7 11 3 -0.80 1.00 8 -11 3 4.80 0.70 -8 -11 -3 4.70 1.50 8 -11 3 4.30 0.80 -8 11 -3 5.60 1.30 -8 11 -3 3.80 1.00 8 11 3 2.80 1.20 9 -11 3 34.30 1.60 9 -11 3 34.90 1.80 -9 -11 -3 36.40 3.00 -9 11 -3 34.20 2.60 -9 11 -3 39.60 2.30 9 11 3 32.40 2.60 10 -11 3 75.29 2.20 -10 -11 -3 70.29 3.90 10 -11 3 74.39 2.30 -10 11 -3 73.99 3.50 10 11 3 71.89 3.60 10 11 3 76.99 3.60 11 -11 3 3.30 0.60 -11 -11 -3 4.40 1.60 11 -11 3 4.00 0.70 -11 -11 -3 3.30 1.90 -11 11 -3 2.80 1.20 -11 11 -3 3.90 1.50 11 11 3 2.80 1.50 11 11 3 4.30 1.70 -12 -11 -3 14.30 2.10 -12 -11 -3 20.50 2.70 -12 11 -3 17.00 2.00 12 11 3 19.70 2.20 12 11 3 24.80 3.20 -12 11 -3 23.10 2.60 -13 -11 -3 1.50 2.30 -13 11 -3 4.50 1.80 13 11 3 -0.40 1.90 13 11 3 1.80 1.80 -13 11 -3 1.80 1.50 -13 -12 3 0.50 2.10 13 12 -3 -0.30 1.50 13 12 -3 -2.40 1.60 -13 12 3 2.10 1.40 -13 12 3 3.20 1.10 -12 -12 3 23.70 3.20 -12 -12 3 38.00 3.80 12 12 -3 27.30 2.80 -12 12 3 28.80 2.20 12 12 -3 28.30 3.20 -11 -12 3 14.90 2.20 -11 -12 3 24.10 2.90 11 12 -3 15.80 1.80 -11 12 3 18.50 2.00 -10 -12 3 30.10 2.80 -10 -12 3 30.40 3.30 10 12 -3 33.50 2.60 -10 12 3 34.00 2.00 -10 12 3 24.90 2.20 -9 -12 3 23.00 2.50 -9 -12 3 21.60 2.90 -9 12 3 23.60 1.70 9 12 -3 14.20 2.60 -9 12 3 23.50 2.00 -8 -12 3 22.20 2.50 8 12 -3 18.40 2.10 -8 12 3 20.60 1.70 8 12 -3 21.50 2.50 -8 12 3 20.90 1.90 -7 -12 3 5.40 1.60 -7 12 3 5.60 0.90 7 12 -3 7.00 1.30 -7 12 3 7.00 1.00 7 12 -3 5.40 1.40 -6 -12 3 8.30 1.30 6 12 -3 4.80 1.10 -6 12 3 5.80 1.00 -6 12 3 5.20 0.90 6 12 -3 7.10 1.40 5 -12 -3 13.40 0.70 5 -12 -3 14.70 0.70 -5 -12 3 10.90 1.30 -5 -12 3 12.40 1.50 5 12 -3 13.10 1.60 5 12 -3 11.30 1.30 -5 12 3 13.70 1.70 -5 12 3 11.60 1.40 -4 -12 3 28.70 2.10 -4 -12 3 28.40 2.40 4 -12 -3 28.60 1.20 4 -12 -3 30.50 1.20 -4 12 3 31.00 2.00 -4 12 3 29.20 1.70 4 12 -3 29.70 2.00 4 12 -3 23.60 3.10 3 -12 -3 18.90 1.20 -3 -12 3 21.40 2.00 3 -12 -3 19.50 1.10 -3 -12 3 16.90 1.70 -3 12 3 19.20 1.60 -3 12 3 18.80 1.80 3 12 -3 16.20 1.80 3 12 -3 14.30 1.80 -2 -12 3 -1.60 0.80 -2 -12 3 0.40 1.00 2 -12 -3 -0.60 0.60 2 -12 -3 -0.30 0.50 -2 12 3 -1.50 0.90 2 12 -3 -1.60 0.80 -2 12 3 -1.10 0.70 2 12 -3 -0.90 1.00 -1 -12 3 1.20 0.90 1 -12 -3 1.20 0.60 1 -12 -3 0.30 0.70 -1 -12 3 0.70 0.90 1 12 -3 -0.50 1.00 -1 12 3 1.70 1.00 -1 12 3 0.00 0.80 1 12 -3 -0.40 0.90 0 -12 -3 3.90 0.90 0 -12 -3 5.30 0.80 0 -12 3 4.60 1.00 0 12 -3 4.80 1.10 0 12 -3 4.70 1.20 0 12 3 5.10 0.90 0 12 3 5.70 1.20 -1 -12 -3 16.90 1.50 -1 -12 -3 15.70 1.80 1 -12 3 14.70 1.60 1 -12 3 13.10 1.70 -1 12 -3 13.50 1.80 1 12 3 17.80 2.10 1 12 3 14.50 1.60 -1 12 -3 13.60 1.50 -2 -12 -3 368.66 8.10 2 -12 3 374.16 7.80 -2 -12 -3 371.56 7.80 2 -12 3 370.96 7.90 2 12 3 368.26 8.00 2 12 3 364.66 8.30 -2 12 -3 376.56 8.30 -2 12 -3 368.66 8.00 3 -12 3 80.79 2.70 3 -12 3 83.39 2.70 -3 -12 -3 79.39 3.10 -3 -12 -3 84.99 2.80 -3 12 -3 83.99 3.20 3 12 3 79.89 2.90 3 12 3 72.69 4.60 -3 12 -3 86.69 2.90 4 -12 3 9.40 1.10 4 -12 3 10.20 1.00 -4 -12 -3 7.80 1.30 4 12 3 5.80 1.30 -4 12 -3 8.20 1.10 -4 12 -3 8.20 1.40 4 12 3 6.70 1.10 -5 -12 -3 6.00 1.10 -5 -12 -3 5.30 1.30 5 -12 3 7.60 0.90 5 -12 3 7.70 1.00 5 12 3 5.10 1.10 -5 12 -3 5.00 2.00 -5 12 -3 6.00 1.00 6 -12 3 31.60 1.70 -6 -12 -3 32.80 2.60 -6 -12 -3 31.90 2.20 6 -12 3 31.50 1.90 -6 12 -3 31.10 2.10 6 12 3 31.20 2.60 -6 12 -3 30.40 2.40 7 -12 3 8.60 0.90 -7 -12 -3 7.50 1.60 7 -12 3 9.70 1.00 -7 12 -3 8.00 1.20 7 12 3 9.40 1.40 -7 12 -3 7.30 1.30 -8 -12 -3 12.10 1.80 8 -12 3 17.20 1.40 8 -12 3 16.60 1.60 -8 12 -3 16.20 2.00 8 12 3 13.30 1.70 9 -12 3 7.90 0.90 -9 -12 -3 8.70 1.90 -9 -12 -3 9.10 2.00 9 -12 3 6.30 0.90 9 12 3 4.10 1.50 9 12 3 7.70 1.60 10 -12 3 0.20 0.70 -10 -12 -3 0.60 1.50 -10 -12 -3 1.50 1.80 10 -12 3 0.70 0.60 10 12 3 0.20 1.50 -10 12 -3 1.50 1.20 -10 12 -3 2.40 1.40 10 12 3 0.20 1.70 -11 -12 -3 7.80 2.30 11 -12 3 8.20 0.90 11 -12 3 8.80 1.00 -11 -12 -3 7.90 1.90 11 12 3 7.10 1.70 -11 12 -3 9.20 1.50 11 12 3 5.50 2.00 -11 12 -3 9.60 1.80 -12 -12 -3 150.08 6.10 -12 12 -3 152.58 5.50 12 12 3 144.59 5.60 12 12 3 154.88 5.40 -12 12 -3 147.59 4.90 13 13 -3 40.80 4.00 -12 -13 3 2.10 1.80 -12 -13 3 4.70 2.10 12 13 -3 2.90 1.90 -12 13 3 1.50 1.10 12 13 -3 3.70 1.60 -12 13 3 0.40 1.50 -11 -13 3 0.40 1.80 -11 -13 3 1.90 1.60 -11 13 3 0.30 1.30 11 13 -3 -0.50 1.70 11 13 -3 -1.10 1.40 -11 13 3 -2.30 0.90 -10 -13 3 5.70 1.90 -10 -13 3 5.60 1.70 10 13 -3 5.60 1.50 10 13 -3 3.50 1.60 -10 13 3 4.60 1.60 -10 13 3 5.50 1.10 -9 -13 3 44.30 3.10 -9 -13 3 57.49 3.70 -9 13 3 53.09 2.70 -9 13 3 48.20 2.30 9 13 -3 55.09 3.10 -8 -13 3 33.90 3.10 8 13 -3 34.70 2.60 -8 13 3 28.70 1.90 -8 13 3 33.70 2.30 -7 -13 3 21.30 2.60 -7 13 3 15.50 1.70 -7 13 3 17.90 2.00 7 13 -3 14.70 1.90 -6 13 3 0.70 0.80 -6 13 3 0.90 1.00 6 13 -3 1.50 1.10 6 13 -3 0.40 1.20 5 -13 -3 0.10 0.30 -5 -13 3 -1.50 1.00 5 -13 -3 -0.20 0.30 -5 13 3 -1.30 0.90 -5 13 3 -0.30 0.80 5 13 -3 -0.50 1.00 5 13 -3 -1.10 1.20 4 -13 -3 -0.30 0.40 4 -13 -3 0.30 0.50 -4 -13 3 -0.50 1.00 -4 -13 3 -1.00 1.00 -4 13 3 -0.50 0.90 4 13 -3 -1.90 0.80 -4 13 3 -1.00 0.70 4 13 -3 -2.20 1.10 3 -13 -3 7.30 0.80 3 -13 -3 8.30 0.80 -3 -13 3 8.00 1.20 -3 -13 3 3.90 1.10 3 13 -3 6.00 1.10 3 13 -3 5.50 1.40 -3 13 3 7.40 1.20 -3 13 3 7.20 1.00 -2 -13 3 73.69 3.00 2 -13 -3 76.99 2.30 2 -13 -3 80.39 2.50 2 13 -3 59.99 3.00 2 13 -3 76.49 2.80 -2 13 3 75.59 2.70 -2 13 3 78.89 3.10 1 -13 -3 124.39 3.50 1 -13 -3 128.29 3.30 -1 -13 3 122.99 3.70 -1 -13 3 127.39 3.90 -1 13 3 123.39 3.70 1 13 -3 130.19 4.30 -1 13 3 126.69 4.00 1 13 -3 125.69 3.80 0 -13 -3 237.88 5.60 0 -13 3 236.38 5.60 0 -13 -3 231.88 5.20 0 13 3 231.38 5.60 0 13 -3 227.98 6.00 0 13 3 225.68 5.90 0 13 -3 233.58 5.70 -1 -13 -3 25.80 1.80 1 -13 3 27.70 2.10 1 -13 3 28.70 2.00 -1 -13 -3 23.80 2.10 -1 13 -3 27.40 2.10 1 13 3 23.60 2.10 -1 13 -3 26.30 2.50 -2 -13 -3 -0.60 1.00 2 -13 3 -1.00 0.90 -2 -13 -3 -0.60 0.80 2 -13 3 -0.30 0.90 -2 13 -3 -0.40 0.90 2 13 3 -0.90 1.20 -2 13 -3 -0.50 1.10 2 13 3 -1.30 0.90 3 -13 3 53.99 2.30 3 -13 3 53.59 2.30 -3 -13 -3 45.40 3.70 -3 -13 -3 52.79 2.70 3 13 3 49.90 2.60 -3 13 -3 55.19 2.80 -3 13 -3 54.59 2.50 3 13 3 49.90 2.90 -4 -13 -3 1.70 1.20 4 -13 3 2.40 0.80 4 -13 3 3.90 0.90 -4 -13 -3 2.30 1.00 4 13 3 0.90 1.00 -4 13 -3 3.50 1.30 -4 13 -3 2.60 1.00 -5 -13 -3 40.80 2.80 5 -13 3 38.40 2.00 -5 -13 -3 36.90 2.30 5 -13 3 37.90 1.90 -5 13 -3 39.50 2.20 -5 13 -3 38.60 2.70 6 -13 3 18.80 1.60 -6 -13 -3 20.70 2.60 6 -13 3 20.50 1.80 -6 13 -3 21.80 2.00 -6 13 -3 19.50 2.40 6 13 3 22.30 2.40 7 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25.20 3.10 10 14 -3 21.30 2.90 10 14 -3 16.80 2.10 -10 14 3 23.80 2.80 -10 14 3 23.10 2.10 -9 -14 3 17.70 2.30 -9 -14 3 18.90 2.00 9 14 -3 13.50 2.00 9 14 -3 16.40 1.90 -9 14 3 20.90 2.00 -9 14 3 22.30 2.60 -8 14 3 6.10 1.10 -8 14 3 7.70 1.50 8 14 -3 11.10 1.70 8 14 -3 5.70 1.70 -7 -14 3 0.00 1.40 -7 14 3 -0.10 0.90 7 14 -3 0.10 1.20 -6 -14 3 0.40 1.40 -6 14 3 1.90 0.90 6 14 -3 1.50 1.20 -6 14 3 2.00 1.40 5 -14 -3 5.20 0.50 5 -14 -3 7.60 0.80 -5 -14 3 7.30 1.50 5 14 -3 3.60 1.20 -5 14 3 4.00 1.00 -5 14 3 6.00 1.30 4 -14 -3 12.10 1.10 -4 -14 3 11.00 2.30 4 -14 -3 12.10 1.10 -4 14 3 10.30 1.60 -4 14 3 11.70 1.30 3 -14 -3 5.50 0.80 -3 -14 3 5.60 1.20 -3 -14 3 4.60 1.20 3 -14 -3 5.90 0.70 3 14 -3 4.20 1.20 -3 14 3 5.70 2.10 -3 14 3 5.60 1.10 2 -14 -3 0.90 0.70 2 -14 -3 0.60 0.80 -2 -14 3 0.50 1.00 -2 -14 3 0.60 1.00 -2 14 3 1.30 0.90 2 14 -3 1.10 1.00 -2 14 3 0.80 1.80 -1 -14 3 0.50 1.00 -1 -14 3 1.40 1.10 1 -14 -3 2.00 0.90 1 -14 -3 1.40 0.80 1 14 -3 1.10 1.00 -1 14 3 0.70 1.20 1 14 -3 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111.39 3.90 -13 4 4 114.79 3.20 13 4 -4 112.99 2.60 -13 4 4 112.99 3.10 13 4 -4 112.29 2.60 -12 -4 4 -0.20 1.00 -12 -4 4 1.60 1.40 -12 4 4 1.10 0.60 12 4 -4 1.50 0.50 -12 4 4 0.50 0.60 12 4 -4 1.20 0.60 -11 -4 4 4.50 1.00 -11 -4 4 4.80 0.90 -11 4 4 3.70 0.60 -11 4 4 4.00 0.70 11 4 -4 4.10 0.60 11 4 -4 3.80 0.60 -10 -4 4 13.10 1.40 -10 -4 4 13.60 1.60 10 4 -4 13.30 1.10 -10 4 4 13.60 1.00 -10 4 4 13.90 1.00 10 4 -4 12.40 1.10 -9 -4 4 2.80 0.70 -9 -4 4 2.80 0.80 9 4 -4 2.40 0.60 -9 4 4 2.70 0.40 9 4 -4 3.00 0.60 -9 4 4 3.50 0.50 -8 -4 4 122.49 3.30 -8 -4 4 126.49 3.10 -8 4 4 123.49 2.60 -8 4 4 128.89 2.60 8 4 -4 123.59 2.90 8 4 -4 124.09 2.90 -7 -4 4 30.90 1.40 -7 -4 4 32.30 1.50 -7 4 4 30.80 0.90 7 4 -4 33.60 1.30 7 4 -4 29.70 1.20 -7 4 4 31.30 0.80 -6 -4 4 0.90 0.60 -6 -4 4 1.50 0.50 6 4 -4 1.70 0.50 6 4 -4 2.10 0.50 -5 -4 4 8.90 1.00 -5 -4 4 10.00 0.90 5 4 -4 10.70 0.90 5 4 -4 8.50 0.80 -4 -4 4 139.99 3.30 -4 -4 4 139.79 3.10 4 4 -4 135.99 3.00 4 4 -4 140.09 3.10 -3 -4 4 52.39 1.60 -3 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1.10 4 -4 4 15.40 1.00 -4 -4 -4 12.80 1.20 4 4 4 16.30 1.10 -4 4 -4 14.90 1.10 4 4 4 13.50 1.20 -4 4 -4 15.10 1.10 5 -4 4 227.38 4.80 5 -4 4 227.18 4.80 -5 -4 -4 223.28 5.10 -5 -4 -4 218.38 4.80 -5 4 -4 224.08 4.90 5 4 4 231.58 5.00 5 4 4 223.28 4.90 -5 4 -4 223.88 4.80 6 -4 4 0.40 0.50 6 -4 4 -0.50 0.50 -6 -4 -4 0.10 0.60 -6 -4 -4 -0.20 0.60 6 4 4 -0.10 0.60 -6 4 -4 -0.50 0.50 -6 4 -4 -0.80 0.50 6 4 4 0.20 0.60 7 -4 4 1.70 0.60 -7 -4 -4 3.50 0.90 7 -4 4 2.70 0.60 -7 -4 -4 2.30 0.70 -7 4 -4 2.30 0.70 7 4 4 2.00 0.80 -7 4 -4 2.20 0.70 7 4 4 1.40 0.70 -8 -4 -4 78.59 2.80 -8 -4 -4 69.79 2.50 8 -4 4 74.69 2.40 8 -4 4 73.89 2.30 8 4 4 73.09 2.50 -8 4 -4 75.79 2.50 8 4 4 77.29 2.60 -8 4 -4 77.19 2.50 9 -4 4 49.60 1.90 9 -4 4 48.80 2.00 -9 -4 -4 48.00 2.50 -9 4 -4 50.79 2.20 9 4 4 53.29 2.40 -9 4 -4 47.60 2.20 9 4 4 51.19 2.30 -10 -4 -4 212.38 5.30 10 -4 4 204.78 4.70 -10 -4 -4 204.48 5.40 10 -4 4 205.48 4.70 10 4 4 208.68 5.10 10 4 4 203.48 5.10 -10 4 -4 205.08 5.10 -11 -4 -4 41.40 2.60 11 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5 4 45.80 1.10 -3 -5 4 141.09 3.20 -3 -5 4 141.99 3.30 3 5 -4 143.69 3.30 -3 5 4 137.39 2.80 -3 5 4 141.19 2.80 3 5 -4 137.89 3.20 -2 -5 4 187.88 4.00 2 -5 -4 187.48 3.40 -2 -5 4 183.28 4.10 2 5 -4 185.88 4.00 -2 5 4 182.58 3.80 2 5 -4 189.48 4.10 -2 5 4 184.28 3.60 1 -5 -4 13.50 0.70 -1 -5 4 12.80 1.00 -1 -5 4 12.80 0.90 1 -5 -4 13.60 0.60 -1 5 4 12.00 0.80 1 5 -4 13.90 0.90 -1 5 4 13.50 0.70 1 5 -4 11.10 1.00 0 -5 -4 448.06 8.60 0 -5 4 465.25 8.90 0 -5 4 466.05 8.80 0 -5 -4 453.05 8.70 0 5 -4 452.45 8.90 0 5 4 452.05 8.60 0 5 4 461.15 8.80 0 5 -4 465.85 8.80 -1 -5 -4 71.99 1.80 -1 -5 -4 68.49 2.00 1 -5 4 67.89 1.90 1 -5 4 71.99 1.90 -1 5 -4 71.19 2.00 -1 5 -4 66.59 1.90 1 5 4 68.79 1.80 1 5 4 70.99 2.00 -2 -5 -4 33.40 1.40 2 -5 4 32.80 1.30 -2 -5 -4 32.20 1.20 2 -5 4 31.30 1.30 2 5 4 34.20 1.40 -2 5 -4 32.20 1.40 2 5 4 34.20 1.30 -2 5 -4 33.10 1.30 3 -5 4 2.70 0.50 3 -5 4 2.60 0.50 -3 -5 -4 3.80 0.60 -3 -5 -4 3.40 0.70 -3 5 -4 3.30 0.60 3 5 4 3.00 0.50 3 5 4 2.50 0.60 -3 5 -4 2.90 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4 6.00 1.00 -14 6 4 3.70 1.00 -13 -6 4 41.60 2.60 13 6 -4 42.30 2.00 -13 6 4 41.60 1.90 -13 6 4 39.60 1.90 13 6 -4 39.80 2.00 -12 -6 4 2.70 1.20 -12 -6 4 2.80 1.10 12 6 -4 4.70 0.90 -12 6 4 3.20 0.70 -12 6 4 4.40 0.70 12 6 -4 3.80 0.80 -11 -6 4 2.30 1.10 -11 -6 4 0.60 0.90 -11 6 4 -0.40 0.50 -11 6 4 -0.80 0.50 11 6 -4 0.60 0.70 11 6 -4 0.20 0.70 -10 -6 4 2.60 0.90 -10 -6 4 2.70 1.10 -10 6 4 3.00 0.50 10 6 -4 2.90 0.80 -10 6 4 3.70 0.60 10 6 -4 2.30 0.80 -9 -6 4 76.79 2.60 -9 -6 4 74.19 2.80 9 6 -4 73.89 2.40 -9 6 4 73.79 1.90 -9 6 4 75.49 1.90 9 6 -4 75.89 2.40 -8 -6 4 41.70 2.10 -8 -6 4 43.30 1.90 8 6 -4 39.80 1.70 -8 6 4 41.10 1.30 8 6 -4 42.70 1.80 -8 6 4 42.40 1.30 -7 -6 4 58.19 2.10 -7 -6 4 55.39 2.30 7 6 -4 57.29 2.00 -7 6 4 57.29 1.40 7 6 -4 57.09 1.90 -7 6 4 55.19 1.40 -6 -6 4 -0.10 0.60 -6 -6 4 0.80 0.70 6 6 -4 -0.10 0.60 6 6 -4 0.20 0.60 -6 6 4 0.30 0.30 -6 6 4 0.30 0.30 -5 -6 4 1.80 0.70 -5 -6 4 1.40 0.60 5 6 -4 1.20 0.60 -5 6 4 2.00 0.30 -5 6 4 2.30 0.30 5 6 -4 1.40 0.50 -4 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0.80 9 11 -4 1.20 1.20 -9 11 4 3.60 0.90 9 11 -4 3.30 1.10 -8 -11 4 4.30 1.40 -8 -11 4 6.90 1.30 -8 11 4 5.00 0.80 8 11 -4 5.30 1.10 8 11 -4 5.90 1.30 -8 11 4 5.60 0.90 -7 -11 4 46.30 2.80 -7 -11 4 45.30 2.40 -7 11 4 45.80 1.90 -7 11 4 46.70 2.10 7 11 -4 48.90 2.40 -6 -11 4 3.80 1.00 -6 -11 4 4.70 1.20 6 11 -4 3.90 1.20 -6 11 4 3.50 0.80 -6 11 4 2.70 0.70 6 11 -4 3.00 0.90 -5 -11 4 102.79 3.60 -5 11 4 108.79 3.10 -5 11 4 106.19 2.90 5 11 -4 112.39 3.70 5 11 -4 103.09 3.30 -4 -11 4 21.20 2.00 -4 -11 4 22.10 1.90 4 -11 -4 22.90 0.80 4 -11 -4 22.70 0.80 4 11 -4 22.80 2.00 4 11 -4 23.80 1.80 -4 11 4 21.60 1.40 -4 11 4 22.50 1.70 3 -11 -4 20.70 1.10 3 -11 -4 21.80 1.00 -3 -11 4 22.80 1.80 -3 -11 4 23.40 1.90 -3 11 4 21.30 1.50 3 11 -4 21.60 1.70 -3 11 4 25.10 1.70 3 11 -4 23.90 2.10 -2 -11 4 -0.90 0.90 2 -11 -4 0.70 0.50 -2 -11 4 -1.20 0.80 -2 11 4 -0.60 0.80 -2 11 4 -0.80 0.60 2 11 -4 -1.70 0.90 2 11 -4 -0.70 0.70 1 -11 -4 77.89 2.20 -1 -11 4 73.39 2.70 -1 -11 4 75.19 2.70 1 -11 -4 75.19 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2.20 -3 12 4 44.90 2.30 2 -12 -4 8.70 1.00 -2 -12 4 5.00 1.10 -2 -12 4 9.60 1.20 -2 12 4 10.90 1.40 2 12 -4 7.30 1.60 -2 12 4 7.60 1.10 2 12 -4 6.70 1.10 1 -12 -4 82.59 2.40 -1 -12 4 82.59 2.90 -1 -12 4 81.89 2.90 1 -12 -4 83.79 2.60 1 12 -4 84.09 3.40 -1 12 4 84.69 2.80 -1 12 4 86.19 3.10 1 12 -4 80.59 3.00 0 -12 -4 68.19 2.20 0 -12 4 66.19 2.60 0 -12 -4 60.29 2.50 0 12 4 66.59 2.80 0 12 -4 60.99 2.90 0 12 -4 62.09 2.60 0 12 4 63.89 2.50 1 -12 4 55.39 2.50 1 -12 4 53.69 2.40 -1 -12 -4 51.59 2.40 -1 -12 -4 54.29 2.10 -1 12 -4 53.69 2.50 1 12 4 51.99 2.40 -1 12 -4 54.89 2.90 1 12 4 54.49 2.70 2 -12 4 13.60 1.70 -2 -12 -4 8.60 1.00 -2 -12 -4 7.40 1.20 2 -12 4 14.10 1.70 -2 12 -4 14.50 1.80 2 12 4 9.10 1.50 -2 12 -4 9.60 1.60 2 12 4 10.60 1.30 -3 -12 -4 34.00 2.00 -3 -12 -4 33.20 2.30 3 -12 4 38.10 2.00 3 -12 4 33.40 1.90 3 12 4 34.10 2.50 -3 12 -4 36.40 2.10 3 12 4 31.50 2.10 4 -12 4 45.00 2.10 -4 -12 -4 38.40 2.50 4 -12 4 42.70 2.00 4 12 4 31.60 2.40 -4 12 -4 42.40 2.20 -4 12 -4 44.30 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13 -4 2.10 1.30 -4 13 4 1.70 0.80 -3 -13 4 0.50 1.00 3 -13 -4 0.40 0.60 -3 -13 4 -0.50 1.10 3 -13 -4 1.10 0.50 3 13 -4 1.40 1.30 3 13 -4 0.30 0.90 -3 13 4 -0.50 0.90 -3 13 4 0.50 0.80 2 -13 -4 2.90 0.80 -2 -13 4 2.00 1.00 -2 -13 4 3.00 1.20 2 -13 -4 3.90 0.70 2 13 -4 1.30 1.00 -2 13 4 3.50 0.90 2 13 -4 0.20 1.10 -2 13 4 2.80 1.10 -1 -13 4 119.29 5.20 -1 -13 4 148.49 4.30 1 -13 -4 150.18 3.60 1 -13 -4 147.79 3.80 1 13 -4 148.89 4.20 -1 13 4 150.58 4.40 1 13 -4 125.99 4.40 -1 13 4 145.59 4.00 0 -13 -4 261.77 6.10 0 -13 -4 262.97 5.80 0 -13 4 273.77 6.40 0 -13 4 271.87 6.40 0 13 -4 264.07 6.30 0 13 4 266.87 6.20 0 13 -4 269.67 6.70 0 13 4 261.27 6.70 -1 -13 -4 104.39 3.10 -1 -13 -4 105.49 3.50 1 -13 4 112.59 3.50 1 -13 4 109.99 3.50 1 13 4 106.59 3.50 -1 13 -4 107.19 3.90 1 13 4 100.19 4.10 -1 13 -4 108.39 3.40 2 -13 4 0.50 0.90 -2 -13 -4 -1.30 0.80 2 -13 4 -0.30 0.90 -2 -13 -4 -2.50 1.00 -2 13 -4 -0.20 0.90 -2 13 -4 -0.10 1.10 3 -13 4 6.50 1.10 3 -13 4 5.60 1.00 -3 -13 -4 4.80 1.30 -3 13 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12.90 1.70 3 -14 -4 43.30 1.70 -3 -14 4 45.80 2.70 3 -14 -4 45.40 1.70 -3 -14 4 40.50 2.50 3 14 -4 39.40 3.20 -3 14 4 41.50 3.10 -3 14 4 43.70 2.20 2 -14 -4 22.20 1.70 2 -14 -4 22.10 1.50 -2 -14 4 22.50 2.20 -2 -14 4 19.50 2.20 2 14 -4 21.50 2.00 -2 14 4 20.00 1.90 -1 -14 4 -0.10 1.10 -1 -14 4 0.50 1.00 1 -14 -4 -0.20 0.70 1 -14 -4 0.80 0.80 -1 14 4 0.80 0.90 1 14 -4 -0.70 1.00 -1 14 4 -0.90 1.10 0 -14 4 93.79 3.40 0 -14 -4 85.39 3.10 0 -14 -4 88.59 2.80 0 -14 4 90.19 3.20 0 14 -4 87.39 3.30 0 14 4 82.89 3.20 0 14 4 90.69 3.70 1 -14 4 0.70 1.00 -1 -14 -4 -0.90 0.90 1 -14 4 0.90 1.10 -1 -14 -4 -0.90 1.00 1 14 4 -2.20 1.30 -1 14 -4 1.70 1.00 -1 14 -4 0.90 1.30 1 14 4 -1.90 1.00 -2 -14 -4 -1.60 1.70 2 -14 4 0.30 1.00 -2 -14 -4 -2.50 1.00 -2 14 -4 0.20 1.20 -2 14 -4 -0.70 0.90 2 14 4 -2.50 1.20 2 14 4 -2.50 1.00 3 -14 4 2.10 1.00 3 -14 4 2.40 1.20 -3 -14 -4 -0.50 1.10 -3 -14 -4 1.40 1.00 -3 14 -4 1.40 1.30 3 14 4 3.60 1.50 -3 14 -4 2.80 1.10 -4 -14 -4 26.90 2.50 -4 -14 -4 24.20 2.20 4 -14 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1.60 -1 -9 5 30.90 1.70 -1 9 5 28.50 1.40 1 9 -5 30.50 1.60 1 9 -5 30.40 1.90 -1 9 5 31.00 1.60 0 -9 -5 8.30 0.90 0 -9 5 6.00 0.90 0 -9 5 5.90 0.90 0 -9 -5 9.30 1.00 0 9 5 10.60 1.10 0 9 -5 8.60 1.00 0 9 5 7.70 1.00 0 9 -5 8.80 1.10 -1 -9 -5 15.80 1.10 1 -9 5 11.50 1.10 -1 -9 -5 14.00 1.30 1 -9 5 11.00 1.40 1 9 5 12.20 1.50 1 9 5 16.30 1.30 -1 9 -5 10.90 1.30 -1 9 -5 14.30 1.60 -2 -9 -5 215.58 4.80 2 -9 5 216.88 5.00 -2 -9 -5 218.48 5.20 2 -9 5 218.78 5.00 -2 9 -5 220.08 5.10 2 9 5 223.68 5.20 -2 9 -5 225.58 5.30 2 9 5 221.28 5.00 3 -9 5 -0.50 0.70 -3 -9 -5 -0.20 0.80 3 -9 5 -0.40 0.70 -3 -9 -5 -0.10 0.60 3 9 5 0.10 0.70 3 9 5 0.50 0.80 -3 9 -5 -0.60 0.60 -3 9 -5 0.40 0.80 4 -9 5 44.10 2.00 -4 -9 -5 44.90 2.30 -4 -9 -5 44.70 2.00 4 -9 5 46.10 1.90 4 9 5 45.50 2.10 4 9 5 46.60 2.30 -4 9 -5 45.40 2.00 -5 -9 -5 21.20 2.00 5 -9 5 21.30 1.60 5 -9 5 22.30 1.50 -5 -9 -5 20.00 1.60 -5 9 -5 22.90 1.90 5 9 5 20.70 2.00 -5 9 -5 22.90 1.70 5 9 5 18.10 1.60 -6 -9 -5 10.50 1.40 6 -9 5 13.50 1.60 -6 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1.90 13 9 5 -2.30 1.60 -14 -10 5 10.50 2.30 -14 -10 5 10.60 1.90 14 10 -5 7.20 1.60 14 10 -5 7.20 1.30 -14 10 5 10.00 1.20 -14 10 5 8.70 1.70 -13 -10 5 14.60 2.20 -13 -10 5 23.10 2.90 13 10 -5 22.40 2.30 -13 10 5 20.40 1.80 -13 10 5 20.40 2.00 13 10 -5 21.00 2.50 -12 -10 5 6.40 1.80 -12 -10 5 8.00 1.60 -12 10 5 11.10 1.50 -12 10 5 8.70 1.10 12 10 -5 9.80 1.50 12 10 -5 10.30 1.40 -11 -10 5 19.50 2.50 -11 -10 5 16.60 1.90 -11 10 5 18.90 1.50 11 10 -5 17.90 2.10 11 10 -5 15.80 1.90 -11 10 5 20.60 1.60 -10 -10 5 30.50 2.80 -10 -10 5 35.20 2.50 10 10 -5 30.10 2.20 -10 10 5 29.90 1.60 -10 10 5 30.50 1.70 -9 -10 5 1.80 1.10 -9 -10 5 3.30 1.20 -9 10 5 2.30 0.60 9 10 -5 3.90 1.10 9 10 -5 1.30 0.90 -8 -10 5 68.79 3.10 -8 -10 5 78.49 3.00 8 10 -5 74.19 2.80 8 10 -5 72.89 3.00 -8 10 5 68.39 2.30 -8 10 5 68.89 2.10 -7 -10 5 102.79 3.40 -7 -10 5 94.69 3.50 -7 10 5 95.49 2.60 7 10 -5 103.29 3.40 7 10 -5 96.69 3.20 -7 10 5 104.59 2.80 -6 -10 5 28.10 2.20 -6 -10 5 26.70 2.20 -6 10 5 28.20 1.50 6 10 -5 26.80 1.80 -6 10 5 26.00 1.30 6 10 -5 25.80 2.10 -5 -10 5 1.10 0.90 -5 -10 5 0.80 0.90 5 10 -5 0.80 1.00 -5 10 5 0.20 0.60 5 10 -5 0.20 0.80 -5 10 5 0.70 0.50 -4 -10 5 18.00 1.70 -4 -10 5 14.50 1.50 -4 10 5 16.30 1.40 4 10 -5 16.10 1.80 -4 10 5 14.70 1.20 4 10 -5 13.80 1.50 3 -10 -5 3.70 0.40 -3 -10 5 4.80 1.00 -3 -10 5 5.00 1.00 3 -10 -5 4.10 0.40 -3 10 5 2.70 0.80 3 10 -5 5.40 1.10 3 10 -5 2.10 0.80 -3 10 5 2.70 0.60 -2 -10 5 6.00 1.00 -2 -10 5 6.90 1.10 2 -10 -5 7.50 0.80 -2 10 5 6.20 0.80 2 10 -5 6.70 1.20 2 10 -5 5.80 1.00 -2 10 5 6.40 0.90 -1 -10 5 12.30 1.50 -1 -10 5 10.20 1.30 1 -10 -5 11.70 1.00 1 -10 -5 10.10 1.20 1 10 -5 10.90 1.30 1 10 -5 10.60 1.20 -1 10 5 11.40 1.20 -1 10 5 11.60 1.50 0 -10 5 239.48 5.70 0 -10 -5 247.28 5.40 0 -10 5 241.18 5.50 0 -10 -5 243.88 5.20 0 10 5 248.88 5.40 0 10 5 246.98 5.70 0 10 -5 246.08 5.90 0 10 -5 245.98 5.60 1 -10 5 60.59 2.30 1 -10 5 63.89 2.40 -1 -10 -5 62.09 2.40 -1 -10 -5 65.49 2.10 1 10 5 61.39 2.50 -1 10 -5 63.49 2.40 1 10 5 63.19 2.20 -1 10 -5 65.39 2.60 -2 -10 -5 11.30 1.30 2 -10 5 10.50 1.10 -2 -10 -5 10.20 1.10 2 -10 5 11.60 1.50 -2 10 -5 12.00 1.50 -2 10 -5 9.50 1.20 2 10 5 12.70 1.70 2 10 5 11.40 1.40 -3 -10 -5 5.60 1.00 3 -10 5 5.20 0.90 -3 -10 -5 6.30 0.90 3 -10 5 7.50 1.00 3 10 5 5.80 1.00 -3 10 -5 5.40 0.90 3 10 5 6.80 1.20 -3 10 -5 7.10 1.10 4 -10 5 -0.40 0.70 -4 -10 -5 -0.30 0.80 -4 -10 -5 -0.10 1.00 4 -10 5 -0.80 0.70 -4 10 -5 0.30 0.90 4 10 5 -0.90 0.80 -4 10 -5 -0.20 0.70 4 10 5 0.20 1.00 5 -10 5 53.19 2.30 5 -10 5 56.99 2.20 -5 -10 -5 55.19 2.80 -5 -10 -5 56.99 2.80 5 10 5 53.79 2.60 -5 10 -5 59.19 2.40 5 10 5 54.79 2.50 6 -10 5 28.90 1.90 -6 -10 -5 27.70 2.00 6 -10 5 24.30 1.60 -6 -10 -5 26.50 2.40 6 10 5 21.40 2.40 -6 10 -5 24.40 2.50 6 10 5 27.30 2.00 -6 10 -5 26.00 1.90 -7 -10 -5 31.20 2.10 7 -10 5 32.10 1.80 7 -10 5 33.30 2.00 -7 -10 -5 35.10 2.70 -7 10 -5 31.60 2.10 7 10 5 31.00 2.20 7 10 5 27.30 2.30 -7 10 -5 35.40 2.40 8 -10 5 6.40 0.90 -8 -10 -5 6.20 1.40 8 -10 5 6.70 1.00 8 10 5 6.50 1.30 -8 10 -5 4.70 1.10 -8 10 -5 5.50 1.30 -9 -10 -5 0.30 1.40 9 -10 5 -0.10 0.80 9 10 5 -0.60 1.10 9 10 5 -1.50 1.40 -9 10 -5 -1.30 1.20 -10 -10 -5 9.40 1.80 10 -10 5 9.00 1.20 -10 -10 -5 5.00 1.50 10 -10 5 8.50 1.00 -10 10 -5 8.40 1.50 10 10 5 6.10 1.60 10 10 5 8.80 1.70 -10 10 -5 10.50 1.40 11 -10 5 12.90 1.60 -11 -10 -5 7.90 1.70 -11 -10 -5 11.80 2.20 11 -10 5 9.80 1.20 -11 10 -5 9.70 1.70 11 10 5 11.20 1.90 -11 10 -5 7.20 1.40 11 10 5 6.90 1.80 12 -10 5 65.79 2.70 -12 -10 -5 66.19 4.60 12 -10 5 68.49 2.40 -12 -10 -5 60.99 3.90 12 10 5 65.39 4.00 12 10 5 65.89 4.10 -12 10 -5 73.29 4.00 -12 10 -5 70.59 3.60 -13 -10 -5 -2.40 2.20 13 -10 5 -0.50 0.70 13 -10 5 0.30 1.00 13 10 5 0.20 2.00 -13 10 -5 2.40 1.50 -13 10 -5 0.90 1.90 13 10 5 0.00 1.80 -14 -11 5 49.80 4.50 -14 11 5 48.90 2.50 -14 11 5 51.79 2.90 14 11 -5 46.60 3.70 -13 -11 5 10.00 2.00 -13 -11 5 11.00 2.20 13 11 -5 6.20 1.60 -13 11 5 9.70 1.30 -13 11 5 9.10 1.10 -12 -11 5 2.40 1.50 -12 -11 5 2.60 1.80 12 11 -5 2.10 1.40 -12 11 5 4.90 1.10 12 11 -5 1.80 1.90 -12 11 5 3.40 0.90 -11 -11 5 5.90 1.50 -11 -11 5 5.70 1.70 11 11 -5 4.80 1.40 11 11 -5 7.30 1.40 -11 11 5 5.10 0.90 -10 -11 5 3.30 1.50 -10 -11 5 5.30 1.40 -10 11 5 4.80 0.80 10 11 -5 5.60 1.20 10 11 -5 3.70 1.30 -9 -11 5 2.40 1.20 -9 -11 5 0.90 1.30 -9 11 5 2.60 0.70 9 11 -5 1.40 1.20 9 11 -5 1.30 1.00 -9 11 5 3.40 0.90 -8 -11 5 259.47 6.90 -8 -11 5 265.07 6.40 8 11 -5 272.57 6.50 -8 11 5 256.27 5.60 8 11 -5 259.07 6.20 -8 11 5 249.78 5.70 -7 -11 5 8.30 1.30 -7 -11 5 10.40 1.40 -7 11 5 6.90 0.80 7 11 -5 7.10 1.20 -7 11 5 8.90 1.00 7 11 -5 6.00 2.10 -6 -11 5 -0.20 1.00 -6 -11 5 -0.20 0.90 6 11 -5 0.10 0.80 -6 11 5 -1.20 0.60 6 11 -5 0.60 1.10 -6 11 5 0.70 0.70 -5 -11 5 -1.20 1.00 -5 -11 5 -1.70 0.90 -5 11 5 -0.20 0.70 -5 11 5 -0.60 0.60 5 11 -5 -1.20 0.80 5 11 -5 0.60 1.00 -4 -11 5 45.80 2.40 -4 -11 5 50.19 2.40 4 11 -5 48.90 2.60 -4 11 5 48.80 2.10 -4 11 5 48.10 1.90 4 11 -5 50.69 2.30 3 -11 -5 10.60 0.80 3 -11 -5 9.40 0.80 -3 -11 5 8.20 1.20 -3 -11 5 10.90 1.20 -3 11 5 8.90 1.00 -3 11 5 7.50 0.90 3 11 -5 11.10 1.40 3 11 -5 7.80 1.10 -2 -11 5 187.58 4.80 -2 -11 5 188.88 4.70 2 -11 -5 183.48 3.90 2 11 -5 195.88 5.10 -2 11 5 183.58 4.60 2 11 -5 180.28 4.60 -2 11 5 180.58 4.30 1 -11 -5 -0.30 0.60 1 -11 -5 0.50 0.50 -1 -11 5 0.00 0.80 -1 -11 5 0.80 0.80 1 11 -5 0.70 1.00 -1 11 5 1.10 0.80 1 11 -5 0.70 0.90 -1 11 5 0.10 0.60 0 -11 5 -1.30 0.90 0 -11 -5 0.80 0.60 0 -11 -5 0.00 0.70 0 -11 5 -0.50 0.80 0 11 5 0.90 0.80 0 11 -5 -0.30 0.80 0 11 -5 -1.00 1.00 0 11 5 0.90 0.70 -1 -11 -5 5.20 1.00 1 -11 5 4.30 1.00 1 -11 5 5.90 1.10 -1 -11 -5 6.10 0.80 1 11 5 3.90 0.90 -1 11 -5 3.70 1.10 1 11 5 5.30 1.10 -1 11 -5 5.80 1.10 -2 -11 -5 380.36 8.30 2 -11 5 383.46 8.20 -2 -11 -5 381.06 7.90 2 -11 5 390.16 8.20 -2 11 -5 388.86 8.60 2 11 5 389.26 8.20 -2 11 -5 389.66 8.30 2 11 5 386.76 8.40 3 -11 5 14.60 1.60 3 -11 5 10.90 1.20 -3 -11 -5 12.80 1.60 -3 -11 -5 10.50 1.30 3 11 5 9.40 1.10 -3 11 -5 13.70 1.70 3 11 5 10.10 1.50 -3 11 -5 11.20 1.40 4 -11 5 8.60 1.10 -4 -11 -5 8.10 1.30 4 -11 5 8.30 1.00 -4 -11 -5 8.20 1.10 4 11 5 9.20 1.40 -4 11 -5 8.10 1.10 4 11 5 8.70 1.10 -5 -11 -5 5.20 1.30 -5 -11 -5 7.70 1.20 5 -11 5 8.00 1.10 5 -11 5 7.90 1.00 5 11 5 6.90 1.20 -5 11 -5 7.10 1.10 -5 11 -5 7.00 1.30 -6 -11 -5 6.90 1.20 6 -11 5 6.90 1.10 6 -11 5 4.80 0.90 -6 -11 -5 7.40 1.40 -6 11 -5 5.80 1.10 6 11 5 5.90 1.20 7 -11 5 1.30 0.80 7 -11 5 0.70 0.90 -7 -11 -5 1.60 1.30 7 11 5 1.10 1.10 -7 11 -5 0.20 1.00 -8 -11 -5 135.89 4.80 8 -11 5 132.49 3.80 -8 -11 -5 129.49 4.40 8 -11 5 129.59 3.50 -8 11 -5 133.09 4.50 8 11 5 134.29 5.00 -8 11 -5 125.39 5.40 8 11 5 133.49 4.30 -9 -11 -5 -0.90 1.60 -9 -11 -5 0.10 1.30 9 -11 5 0.90 0.80 9 -11 5 0.50 1.00 -9 11 -5 2.20 1.10 -9 11 -5 0.30 1.30 9 11 5 -0.40 1.40 9 11 5 0.40 1.30 -10 -11 -5 54.89 3.40 10 -11 5 60.19 2.60 10 -11 5 57.09 2.30 -10 -11 -5 53.29 4.00 -10 11 -5 60.69 3.60 -10 11 -5 60.89 3.10 10 11 5 60.89 3.70 10 11 5 54.69 3.50 -11 -11 -5 -1.50 1.80 11 -11 5 -0.40 0.80 -11 -11 -5 0.20 1.60 11 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4.40 1.20 -5 12 5 2.10 0.90 5 12 -5 4.90 1.30 5 12 -5 1.10 0.90 -5 12 5 4.00 0.80 -4 -12 5 37.10 2.30 -4 -12 5 43.90 2.50 4 -12 -5 43.30 1.00 4 -12 -5 42.70 1.10 4 12 -5 43.00 2.60 4 12 -5 40.70 2.30 -4 12 5 45.40 2.20 -4 12 5 41.30 1.90 3 -12 -5 11.50 1.00 3 -12 -5 12.10 0.90 -3 -12 5 8.60 1.20 -3 -12 5 10.50 1.40 -3 12 5 13.90 1.80 -3 12 5 13.90 1.50 3 12 -5 10.30 1.20 3 12 -5 8.80 1.70 2 -12 -5 2.00 0.60 -2 -12 5 2.40 1.00 2 12 -5 1.90 1.00 2 12 -5 1.50 2.10 -2 12 5 3.20 1.00 -2 12 5 2.50 0.80 1 -12 -5 212.08 4.90 -1 -12 5 209.28 5.20 -1 -12 5 214.08 5.40 1 -12 -5 209.98 4.60 1 12 -5 209.18 5.20 -1 12 5 216.28 5.40 -1 12 5 214.08 5.00 0 -12 5 279.27 6.40 0 -12 -5 279.77 6.30 0 -12 5 277.87 6.50 0 -12 -5 281.87 6.00 0 12 5 271.07 6.30 0 12 5 283.37 6.60 0 12 -5 285.37 6.50 1 -12 5 104.49 3.40 -1 -12 -5 102.19 3.00 1 -12 5 102.89 3.30 -1 -12 -5 98.99 3.30 1 12 5 103.59 3.50 -1 12 -5 89.39 4.60 -1 12 -5 104.49 3.40 1 12 5 101.99 3.20 2 -12 5 16.70 1.80 -2 -12 -5 15.60 1.60 -2 -12 -5 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10 23.90 1.80 -4 3 -10 23.80 1.80 -5 -3 -10 -1.00 0.80 5 -3 10 0.70 0.80 -5 -3 -10 0.20 0.80 5 -3 10 0.10 0.90 -5 3 -10 -0.20 0.80 -5 3 -10 -1.00 0.80 5 3 10 0.00 1.00 5 3 10 -0.10 0.70 -6 -3 -10 0.50 0.90 6 -3 10 -1.30 1.10 6 -3 10 -1.00 0.80 -6 -3 -10 0.00 0.90 -6 3 -10 -1.30 0.90 6 3 10 0.70 1.00 6 3 10 0.70 0.80 -6 3 -10 -0.80 0.90 7 -3 10 1.50 0.90 -7 -3 -10 1.40 1.00 7 -3 10 -0.10 1.00 -7 -3 -10 0.10 0.90 -7 3 -10 -0.50 0.90 7 3 10 1.50 1.00 7 3 10 1.00 0.90 -8 -3 -10 93.59 3.60 8 -3 10 95.39 3.20 8 -3 10 94.59 3.40 -8 3 -10 90.79 3.40 8 3 10 80.89 3.70 9 -3 10 5.10 1.20 -9 -3 -10 5.30 1.30 -9 3 -10 6.40 1.30 9 3 10 6.00 1.30 -9 3 -10 5.80 1.30 -10 -3 -10 35.30 2.80 -10 -3 -10 49.99 3.10 10 -3 10 45.90 2.60 -10 3 -10 45.30 3.00 -10 3 -10 46.60 3.10 10 3 10 50.79 3.10 10 3 10 47.10 2.90 -11 -3 -10 3.70 1.60 11 -3 10 1.60 1.30 -11 -3 -10 2.00 1.50 11 -3 10 5.10 1.60 -11 3 -10 3.00 1.50 11 3 10 2.50 1.50 -11 3 -10 0.60 1.40 11 3 10 4.50 1.50 -12 -3 -10 -1.50 1.70 12 -3 10 -1.40 1.60 12 -3 10 -0.90 1.20 -12 -3 -10 -2.50 1.70 -12 3 -10 0.00 1.50 12 3 10 -3.10 1.40 12 3 10 -3.30 1.60 -12 3 -10 -0.20 1.50 13 -3 10 19.50 2.30 13 3 10 16.80 2.40 -15 -4 10 1.60 1.30 -15 4 10 0.30 0.70 -14 -4 10 -0.10 1.20 -14 -4 10 0.70 1.10 -14 4 10 -0.80 0.70 -14 4 10 0.30 0.60 -13 -4 10 0.70 1.00 -13 -4 10 1.70 1.20 -13 4 10 -0.40 0.50 -13 4 10 0.80 0.50 -12 -4 10 15.70 2.10 -12 -4 10 10.30 1.20 -12 4 10 12.80 0.90 -12 4 10 12.60 0.90 -11 -4 10 -0.70 0.80 -11 -4 10 -1.00 0.90 -11 4 10 0.30 0.30 -11 4 10 0.50 0.30 -10 -4 10 47.60 2.30 -10 -4 10 52.19 2.20 -9 -4 10 -0.60 0.70 -9 -4 10 -0.90 0.70 -8 -4 10 2.70 0.80 -8 -4 10 1.30 0.70 8 4 -10 2.30 0.30 8 4 -10 2.70 0.30 -7 -4 10 259.37 5.80 -7 -4 10 265.17 5.60 7 4 -10 250.27 5.00 -7 4 10 264.17 4.80 -7 4 10 235.28 4.80 7 4 -10 259.97 5.10 -6 -4 10 -0.70 0.60 -6 -4 10 -0.30 0.60 -6 4 10 0.50 0.30 6 4 -10 -0.10 0.40 -6 4 10 0.50 0.30 6 4 -10 -0.10 0.50 -5 -4 10 37.10 1.70 -5 -4 10 37.30 1.60 5 4 -10 34.70 1.40 -5 4 10 37.10 1.10 -5 4 10 36.90 1.10 -4 -4 10 2.40 0.70 -4 -4 10 2.50 0.70 4 4 -10 2.40 0.60 4 4 -10 2.80 0.60 -4 4 10 3.60 0.50 -4 4 10 3.20 0.40 -3 -4 10 6.80 0.90 -3 -4 10 11.00 1.20 3 4 -10 11.10 1.20 -3 4 10 9.80 0.80 3 4 -10 9.60 1.00 -3 4 10 10.90 0.90 -2 -4 10 10.60 1.20 2 -4 -10 10.60 0.70 -2 -4 10 11.90 1.20 2 4 -10 11.20 1.10 -2 4 10 11.00 1.00 -2 4 10 12.20 1.00 2 4 -10 11.40 1.30 1 -4 -10 58.59 1.70 1 -4 -10 58.79 1.80 -1 -4 10 58.19 2.10 -1 -4 10 59.29 2.10 -1 4 10 60.69 1.90 1 4 -10 59.39 2.10 1 4 -10 58.99 2.00 -1 4 10 59.99 1.90 0 -4 10 531.05 10.30 0 -4 10 515.95 10.30 0 -4 -10 518.05 10.10 0 -4 -10 511.85 9.90 0 4 10 526.05 10.10 0 4 -10 513.35 10.20 0 4 -10 511.75 10.30 0 4 10 512.65 10.10 1 -4 10 11.30 1.30 -1 -4 -10 10.70 1.10 -1 -4 -10 10.70 1.20 1 -4 10 13.00 1.40 -1 4 -10 11.90 1.30 1 4 10 13.20 1.20 1 4 10 12.50 1.30 2 -4 10 29.20 1.70 -2 -4 -10 27.60 1.70 -2 -4 -10 25.50 1.60 2 -4 10 29.50 1.80 -2 4 -10 27.60 1.80 -2 4 -10 29.90 1.70 2 4 10 25.50 1.60 2 4 10 27.80 1.70 -3 -4 -10 40.80 2.00 3 -4 10 46.80 2.20 -3 -4 -10 38.70 2.00 3 -4 10 45.10 2.00 3 4 10 43.90 2.00 -3 4 -10 46.50 2.20 -3 4 -10 46.70 2.10 3 4 10 43.10 2.10 4 -4 10 89.49 3.00 4 -4 10 88.79 2.90 -4 -4 -10 89.09 3.00 -4 -4 -10 92.19 2.90 4 4 10 90.49 3.00 4 4 10 91.29 2.90 -4 4 -10 91.49 3.10 -4 4 -10 88.79 3.00 -5 -4 -10 8.30 1.10 5 -4 10 8.40 1.20 5 -4 10 8.00 1.00 -5 -4 -10 9.50 1.20 5 4 10 9.20 1.10 -5 4 -10 7.20 1.00 -6 -4 -10 27.10 2.00 6 -4 10 28.20 2.10 -6 -4 -10 29.90 2.20 6 -4 10 25.50 1.90 -6 4 -10 27.20 2.00 6 4 10 28.90 1.90 6 4 10 20.40 2.00 -7 -4 -10 6.40 1.20 7 -4 10 8.10 1.10 7 -4 10 6.60 1.30 -7 -4 -10 6.00 1.20 7 4 10 5.80 1.20 -7 4 -10 7.10 1.20 7 4 10 6.80 1.10 8 -4 10 -0.50 1.10 8 -4 10 0.40 1.00 -8 -4 -10 -0.20 1.10 8 4 10 0.10 1.00 -8 4 -10 0.80 1.00 -8 4 -10 -0.80 1.60 9 -4 10 0.30 1.20 -9 -4 -10 0.10 1.20 9 -4 10 -0.90 1.00 -9 4 -10 0.00 1.10 -9 4 -10 0.20 1.20 9 4 10 1.40 1.10 9 4 10 0.10 1.20 -10 -4 -10 15.90 1.80 10 -4 10 19.40 2.20 -10 -4 -10 16.60 2.00 10 4 10 18.30 1.90 -10 4 -10 14.90 1.70 -10 4 -10 15.50 1.90 10 4 10 14.80 1.90 -11 -4 -10 2.20 1.70 11 -4 10 3.30 1.30 -11 -4 -10 6.30 1.70 11 -4 10 2.00 1.50 -11 4 -10 2.70 1.50 11 4 10 1.00 1.70 11 4 10 0.30 1.40 -11 4 -10 3.60 1.50 12 -4 10 -1.50 1.30 12 -4 10 -0.60 1.60 -12 -4 -10 0.30 1.80 12 4 10 -1.00 1.80 -12 4 -10 -0.70 1.60 12 4 10 -3.40 1.50 -12 4 -10 -0.60 1.50 -15 -5 10 21.90 2.70 -15 -5 10 29.30 3.20 -15 5 10 20.70 1.60 -15 5 10 21.90 1.70 -14 -5 10 9.80 1.80 -14 -5 10 11.10 1.50 -14 5 10 9.00 0.80 -14 5 10 8.60 1.10 -13 -5 10 2.90 1.20 -13 -5 10 2.90 1.30 -13 5 10 2.90 0.50 -13 5 10 2.90 0.60 -12 -5 10 4.60 1.20 -12 -5 10 6.60 1.20 -12 5 10 6.40 0.70 -12 5 10 5.40 0.50 -11 -5 10 2.40 1.10 -11 -5 10 3.20 1.00 -11 5 10 1.90 0.30 -10 -5 10 87.19 2.90 -10 -5 10 92.89 3.20 -9 -5 10 1.40 0.80 -9 -5 10 1.80 0.90 9 5 -10 2.10 0.40 9 5 -10 2.10 0.40 -8 -5 10 26.80 1.70 -8 -5 10 23.10 1.90 8 5 -10 24.50 1.10 8 5 -10 23.90 1.20 -7 -5 10 176.38 4.20 -7 -5 10 179.98 4.40 7 5 -10 172.08 3.70 7 5 -10 172.48 3.80 -7 5 10 175.38 3.30 -7 5 10 158.58 3.30 -6 -5 10 0.20 0.70 -6 -5 10 0.20 0.70 6 5 -10 -0.10 0.50 -6 5 10 0.40 0.30 6 5 -10 0.90 0.60 -6 5 10 0.20 0.30 -5 -5 10 3.00 0.70 -5 -5 10 3.80 0.80 5 5 -10 3.40 0.70 -5 5 10 3.70 0.50 5 5 -10 3.30 0.60 -5 5 10 3.60 0.40 -4 -5 10 0.00 0.60 -4 -5 10 0.50 0.60 4 5 -10 0.70 0.50 4 5 -10 0.20 0.60 -4 5 10 0.20 0.40 -4 5 10 0.50 0.40 -3 -5 10 41.80 1.80 -3 5 10 42.80 1.40 3 5 -10 42.60 1.70 -3 5 10 43.70 1.50 3 5 -10 42.20 1.90 2 -5 -10 72.39 1.70 -2 -5 10 72.79 2.30 -2 -5 10 72.79 2.50 2 5 -10 71.19 2.40 -2 5 10 72.29 2.10 2 5 -10 75.09 2.30 -2 5 10 74.79 2.10 1 -5 -10 11.50 1.00 1 -5 -10 10.80 0.90 -1 -5 10 11.90 1.30 -1 -5 10 11.60 1.40 -1 5 10 12.60 1.20 1 5 -10 11.40 1.40 1 5 -10 13.10 1.30 -1 5 10 11.80 1.10 0 -5 -10 11.10 1.20 0 -5 -10 10.50 1.10 0 -5 10 12.60 1.40 0 -5 10 11.30 1.40 0 5 10 10.00 1.10 0 5 -10 8.50 1.00 0 5 10 10.10 1.20 0 5 -10 9.90 1.30 -1 -5 -10 12.10 1.20 -1 -5 -10 12.30 1.30 1 -5 10 10.10 1.30 1 -5 10 11.10 1.40 1 5 10 13.30 1.30 1 5 10 8.50 0.90 -1 5 -10 12.70 1.40 2 -5 10 67.29 2.40 -2 -5 -10 61.59 2.20 -2 -5 -10 67.59 2.40 2 -5 10 61.49 2.30 2 5 10 63.79 2.30 -2 5 -10 63.69 2.40 2 5 10 64.99 2.30 -2 5 -10 63.59 2.50 -3 -5 -10 153.78 4.10 -3 -5 -10 157.78 4.00 3 -5 10 153.88 4.00 3 -5 10 155.98 4.10 3 5 10 155.88 4.10 -3 5 -10 154.08 4.00 -3 5 -10 162.98 4.30 3 5 10 150.38 4.00 4 -5 10 285.37 6.40 4 -5 10 291.37 6.60 -4 -5 -10 287.27 6.40 -4 -5 -10 289.87 6.60 4 5 10 287.87 6.60 -4 5 -10 291.57 6.50 4 5 10 284.47 6.50 -4 5 -10 286.17 6.70 -5 -5 -10 17.80 1.90 5 -5 10 17.30 1.80 -5 -5 -10 18.90 2.10 5 5 10 18.10 1.90 5 5 10 21.90 1.80 -5 5 -10 15.60 1.50 -5 5 -10 17.80 1.70 -6 -5 -10 14.80 1.80 6 -5 10 10.80 1.30 6 -5 10 10.10 1.20 -6 -5 -10 12.80 1.40 -6 5 -10 13.70 1.80 6 5 10 10.30 1.20 -7 -5 -10 34.40 2.90 7 -5 10 36.60 2.10 7 -5 10 35.80 2.40 -7 5 -10 33.00 3.70 8 -5 10 -0.50 1.10 -8 -5 -10 1.00 1.20 8 -5 10 2.30 1.00 8 5 10 2.60 1.10 -8 5 -10 3.80 1.20 -8 5 -10 1.70 1.10 9 -5 10 28.80 2.20 -9 -5 -10 26.50 3.20 -9 -5 -10 30.60 2.70 9 5 10 29.80 2.80 -9 5 -10 25.20 2.60 9 5 10 24.60 2.40 -9 5 -10 32.60 2.90 -10 -5 -10 18.80 2.10 10 -5 10 16.80 2.20 -10 -5 -10 16.90 1.90 10 5 10 23.10 2.60 -10 5 -10 16.20 2.00 -10 5 -10 14.40 1.80 10 5 10 15.40 2.00 11 -5 10 0.60 1.20 11 -5 10 2.30 1.60 -11 -5 -10 -1.50 1.70 -11 -5 -10 2.50 1.60 11 5 10 1.50 1.40 -11 5 -10 -0.60 1.50 -11 5 -10 -1.70 1.50 11 5 10 -0.80 1.70 12 -5 10 1.30 1.30 12 -5 10 2.90 1.70 -12 -5 -10 -1.40 1.80 -12 5 -10 -1.80 2.90 -12 5 -10 2.20 1.60 12 5 10 2.20 2.00 12 5 10 -1.50 1.60 -15 -6 10 10.90 2.00 -15 -6 10 9.50 1.70 -15 6 10 7.60 0.90 -15 6 10 9.30 0.90 -14 -6 10 0.50 1.30 -14 -6 10 1.40 1.50 -14 6 10 0.90 0.60 -14 6 10 2.00 0.60 -13 -6 10 32.10 2.50 -13 -6 10 28.80 2.80 -13 6 10 27.90 1.20 -12 -6 10 55.89 3.00 -12 -6 10 59.69 2.80 -12 6 10 53.09 1.40 -12 6 10 53.79 1.40 -11 -6 10 -0.30 1.00 -11 -6 10 -0.50 1.10 -10 -6 10 107.69 3.60 -10 -6 10 104.89 3.60 10 6 -10 103.39 2.40 10 6 -10 102.89 2.40 -9 -6 10 1.30 1.00 -9 -6 10 0.50 0.90 9 6 -10 2.70 0.60 9 6 -10 2.80 0.60 -8 -6 10 1.00 0.90 -8 -6 10 0.80 1.00 8 6 -10 2.20 0.60 8 6 -10 2.80 0.70 -7 -6 10 130.39 3.80 -7 -6 10 131.19 3.60 7 6 -10 132.49 3.20 -7 6 10 130.79 2.70 -7 6 10 130.49 2.60 7 6 -10 129.19 3.30 -6 -6 10 73.99 2.70 -6 -6 10 75.09 2.60 6 6 -10 74.89 2.20 -6 6 10 69.49 1.70 6 6 -10 74.29 2.40 -6 6 10 71.99 1.80 -5 -6 10 156.38 3.90 -5 -6 10 153.58 4.10 -5 6 10 154.28 3.30 -5 6 10 159.08 3.40 5 6 -10 156.78 3.70 5 6 -10 156.58 4.00 -4 -6 10 0.30 0.70 -4 -6 10 0.30 0.80 -4 6 10 0.40 0.40 -4 6 10 0.70 0.50 4 6 -10 0.60 0.60 4 6 -10 0.20 0.70 -3 -6 10 -0.80 0.70 -3 6 10 0.20 0.40 3 6 -10 0.70 0.80 -3 6 10 0.60 0.50 3 6 -10 0.60 0.60 2 -6 -10 15.50 0.80 -2 -6 10 14.00 1.50 -2 -6 10 15.80 1.50 2 -6 -10 16.10 0.70 2 6 -10 17.40 1.40 -2 6 10 17.20 1.20 -2 6 10 16.60 1.10 2 6 -10 15.60 1.60 -1 -6 10 23.70 1.70 1 -6 -10 24.10 1.10 -1 -6 10 22.20 1.60 1 -6 -10 23.70 1.20 -1 6 10 26.60 1.40 1 6 -10 25.80 1.50 -1 6 10 27.50 1.50 1 6 -10 23.70 1.70 0 -6 -10 104.39 2.70 0 -6 10 103.19 3.10 0 -6 10 107.99 3.10 0 -6 -10 104.79 2.80 0 6 10 107.39 2.90 0 6 -10 104.29 3.00 0 6 10 104.89 2.90 0 6 -10 107.29 3.20 -1 -6 -10 4.30 0.80 -1 -6 -10 3.30 0.70 1 -6 10 4.40 0.90 1 -6 10 3.70 0.90 1 6 10 2.50 0.70 -1 6 -10 2.60 0.90 -1 6 -10 4.00 0.80 1 6 10 3.40 0.90 2 -6 10 19.20 1.60 -2 -6 -10 17.50 1.70 -2 -6 -10 16.20 1.50 2 -6 10 20.10 1.70 -2 6 -10 20.40 1.70 2 6 10 16.50 1.50 2 6 10 18.70 1.70 -3 -6 -10 -0.30 0.80 3 -6 10 -0.30 0.90 3 -6 10 0.00 0.80 -3 -6 -10 -0.40 0.90 -3 6 -10 -0.50 0.80 3 6 10 -1.80 0.90 3 6 10 -1.90 0.70 -3 6 -10 -1.00 0.90 4 -6 10 83.09 3.50 -4 -6 -10 91.59 3.00 -4 -6 -10 93.49 3.20 4 -6 10 88.29 3.00 -4 6 -10 81.39 4.50 -4 6 -10 90.09 3.10 4 6 10 90.59 3.00 -5 -6 -10 64.59 2.80 5 -6 10 59.99 2.50 5 -6 10 60.09 2.80 5 6 10 62.29 2.60 -5 6 -10 61.59 2.70 6 -6 10 14.40 1.50 -6 -6 -10 16.20 1.90 6 -6 10 14.10 1.40 -6 -6 -10 15.10 2.00 6 6 10 15.50 1.80 -6 6 -10 13.80 1.80 -7 -6 -10 14.50 2.00 7 -6 10 19.70 2.20 7 -6 10 20.70 1.90 -7 6 -10 15.70 1.70 7 6 10 16.30 2.00 8 -6 10 0.80 1.10 -8 -6 -10 0.80 1.20 -8 -6 -10 1.10 1.30 8 6 10 0.50 1.30 -8 6 -10 1.00 1.20 -8 6 -10 1.70 1.30 8 6 10 1.00 1.10 -9 -6 -10 2.10 1.30 -9 -6 -10 2.70 1.50 9 -6 10 4.00 1.20 9 6 10 0.60 1.40 9 6 10 3.30 1.30 -9 6 -10 1.50 1.40 -9 6 -10 2.40 1.30 10 -6 10 -0.90 1.20 -10 -6 -10 -2.10 1.60 -10 -6 -10 -2.00 1.40 10 6 10 -1.30 1.40 -10 6 -10 -0.20 1.50 -10 6 -10 -1.30 1.30 10 6 10 0.20 1.60 -11 -6 -10 9.20 2.00 -11 -6 -10 12.70 1.90 11 -6 10 14.40 1.90 11 -6 10 14.70 1.60 -11 6 -10 13.00 2.00 -11 6 -10 11.20 1.80 11 6 10 15.00 2.20 11 6 10 11.80 1.90 12 -6 10 1.70 1.30 12 -6 10 -0.30 1.70 -12 -6 -10 -5.00 1.90 -12 6 -10 -1.60 1.60 12 6 10 1.00 2.10 12 6 10 0.20 1.80 -15 -7 10 85.89 4.60 -15 -7 10 83.99 4.00 -15 7 10 80.69 2.40 -15 7 10 84.99 2.50 -14 -7 10 9.10 1.80 -14 -7 10 9.50 1.60 -14 7 10 13.40 1.20 -14 7 10 11.70 1.20 -13 -7 10 61.79 3.50 -13 -7 10 58.39 3.10 -13 7 10 55.29 1.60 -13 7 10 53.09 1.60 -12 -7 10 19.30 2.30 -12 -7 10 19.70 2.60 -12 7 10 10.70 0.70 -12 7 10 10.90 0.80 12 7 -10 13.40 0.80 12 7 -10 12.80 0.80 -11 -7 10 12.00 1.50 -11 -7 10 12.80 1.50 11 7 -10 11.00 1.10 11 7 -10 10.60 1.10 -10 -7 10 1.40 1.20 -10 -7 10 -1.10 1.00 10 7 -10 2.30 0.70 10 7 -10 0.70 0.70 -9 -7 10 29.70 2.40 9 7 -10 33.10 1.70 9 7 -10 30.90 1.60 -8 -7 10 96.39 3.50 -8 -7 10 96.39 3.20 -8 7 10 95.49 2.00 8 7 -10 98.79 2.90 8 7 -10 95.89 2.70 -8 7 10 95.39 2.10 -7 -7 10 290.47 6.70 -7 -7 10 282.57 6.40 7 7 -10 282.67 6.20 7 7 -10 281.87 6.00 -7 7 10 284.97 5.50 -7 7 10 281.17 5.40 -6 -7 10 2.20 0.90 -6 -7 10 1.60 1.00 -6 7 10 1.80 0.40 -6 7 10 1.10 0.50 6 7 -10 1.00 0.80 6 7 -10 1.00 0.70 -5 -7 10 24.80 1.90 -5 -7 10 23.40 1.80 5 7 -10 23.30 1.60 -5 7 10 23.00 1.20 5 7 -10 22.40 1.80 -5 7 10 24.20 1.00 -4 -7 10 11.80 1.60 -4 -7 10 10.00 1.20 4 7 -10 7.30 1.10 -4 7 10 11.20 0.90 -4 7 10 11.10 1.10 4 7 -10 9.00 0.90 -3 -7 10 34.10 1.90 3 7 -10 36.20 2.10 -3 7 10 35.90 1.40 -3 7 10 35.60 1.50 3 7 -10 36.00 1.80 -2 -7 10 21.30 1.70 2 -7 -10 20.70 0.90 -2 -7 10 20.20 1.80 2 -7 -10 20.00 0.80 2 7 -10 23.80 1.80 2 7 -10 22.00 1.60 -2 7 10 21.00 1.40 -2 7 10 22.00 1.30 -1 -7 10 18.00 1.70 1 -7 -10 17.00 1.00 -1 -7 10 16.30 1.70 1 -7 -10 18.80 1.20 -1 7 10 17.70 1.30 1 7 -10 19.70 1.60 1 7 -10 19.80 1.80 -1 7 10 18.60 1.40 0 -7 -10 -0.90 0.50 0 -7 -10 -0.50 0.60 0 -7 10 -1.20 0.70 0 -7 10 -0.20 0.70 0 7 -10 0.40 0.80 0 7 10 -1.00 0.60 0 7 -10 0.70 0.70 0 7 10 -0.40 0.70 1 -7 10 -0.10 0.80 -1 -7 -10 1.20 0.70 1 -7 10 0.70 0.80 -1 -7 -10 0.60 0.60 -1 7 -10 1.70 0.90 1 7 10 0.60 0.70 1 7 10 1.40 0.90 -1 7 -10 1.80 0.80 -2 -7 -10 122.59 3.60 2 -7 10 130.49 3.70 -2 -7 -10 127.49 3.40 2 -7 10 130.79 3.80 2 7 10 128.79 3.70 2 7 10 129.19 3.60 -2 7 -10 131.39 3.90 -2 7 -10 132.09 3.60 3 -7 10 220.88 6.00 -3 -7 -10 227.98 5.30 3 -7 10 225.38 5.40 -3 -7 -10 228.38 5.60 3 7 10 226.18 5.40 -3 7 -10 224.58 5.50 3 7 10 223.88 5.50 -4 -7 -10 185.68 4.70 4 -7 10 175.18 5.10 4 -7 10 180.58 4.70 -4 -7 -10 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21.70 0.90 9 8 -12 23.20 1.80 -8 -8 12 105.69 3.80 -8 -8 12 105.09 3.60 -8 8 12 101.29 2.30 -8 8 12 101.59 2.50 8 8 -12 105.09 3.20 8 8 -12 101.49 3.00 -7 -8 12 75.29 3.20 -7 -8 12 80.59 3.10 7 8 -12 74.99 2.90 -7 8 12 78.69 2.20 7 8 -12 77.69 2.60 -7 8 12 76.69 2.00 -6 -8 12 247.48 5.90 -6 -8 12 245.98 6.10 6 8 -12 244.78 5.90 -6 8 12 242.88 5.10 6 8 -12 237.88 5.50 -6 8 12 236.38 5.00 -5 -8 12 45.20 2.50 -5 -8 12 47.60 2.50 5 8 -12 46.00 2.10 5 8 -12 48.10 2.60 -5 8 12 46.20 1.70 -5 8 12 47.60 1.80 -4 -8 12 16.80 1.90 4 8 -12 20.50 2.10 -4 8 12 14.50 1.20 4 8 -12 16.70 1.60 -4 8 12 15.40 1.40 -3 -8 12 6.50 1.10 -3 -8 12 3.20 1.00 3 8 -12 5.90 1.00 3 8 -12 4.80 1.10 -3 8 12 6.00 0.80 -3 8 12 5.50 0.80 2 -8 -12 0.00 0.40 -2 -8 12 -0.80 0.90 -2 -8 12 -0.80 0.90 2 -8 -12 -0.60 0.30 -2 8 12 0.30 0.70 2 8 -12 0.50 0.90 -2 8 12 -0.20 0.60 2 8 -12 -0.40 1.00 -1 -8 12 7.20 1.20 -1 -8 12 6.50 1.20 1 -8 -12 7.10 0.70 1 -8 -12 7.30 0.80 -1 8 12 7.50 0.90 1 8 -12 9.80 1.70 -1 8 12 7.10 1.00 1 8 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2.10 -9 -9 -12 5.10 1.80 9 -9 12 2.40 1.50 -9 9 -12 6.20 1.80 9 9 12 0.00 2.10 -9 9 -12 5.00 2.60 9 9 12 4.00 1.80 10 -9 12 1.30 1.60 -10 -9 -12 -5.10 2.10 10 -9 12 3.60 1.90 -10 9 -12 0.00 1.80 10 9 12 -0.30 1.80 -13 -10 12 13.70 2.30 -13 -10 12 10.20 2.00 -13 10 12 11.40 1.20 13 10 -12 9.60 1.30 13 10 -12 12.00 1.40 -13 10 12 11.60 0.80 -12 -10 12 -0.90 1.70 -12 -10 12 -1.40 1.70 -12 10 12 0.80 0.50 12 10 -12 0.50 0.90 12 10 -12 0.30 1.00 -12 10 12 2.30 0.70 -11 -10 12 40.80 3.40 -11 -10 12 43.00 3.60 -11 10 12 40.60 1.60 11 10 -12 38.30 2.20 11 10 -12 39.20 2.40 -11 10 12 40.10 1.40 -10 -10 12 3.80 1.60 -10 -10 12 0.80 1.50 10 10 -12 0.40 1.00 -10 10 12 1.20 0.50 10 10 -12 1.00 1.10 -10 10 12 0.50 0.70 -9 -10 12 0.90 1.40 -9 -10 12 -1.40 1.40 9 10 -12 0.60 0.90 9 10 -12 -1.20 1.20 -9 10 12 1.50 0.50 -9 10 12 0.20 0.70 -8 -10 12 -1.40 1.20 -8 -10 12 -0.80 1.30 8 10 -12 1.10 1.20 -8 10 12 -0.80 0.50 -8 10 12 -0.50 0.70 8 10 -12 -0.60 0.90 -7 -10 12 14.80 1.70 -7 -10 12 15.00 1.70 -7 10 12 15.40 1.50 -7 10 12 16.50 1.20 7 10 -12 10.90 1.20 7 10 -12 15.90 1.70 -6 -10 12 129.19 4.10 -6 -10 12 118.09 5.40 6 10 -12 111.59 5.60 6 10 -12 126.09 3.70 -6 10 12 121.39 3.30 -6 10 12 126.09 3.10 -5 -10 12 4.50 1.30 5 10 -12 6.90 1.80 5 10 -12 6.70 1.10 -5 10 12 5.30 0.90 -5 10 12 5.90 0.80 -4 -10 12 0.90 1.10 -4 10 12 0.40 0.80 4 10 -12 -0.80 0.90 -4 10 12 -0.70 0.60 4 10 -12 -0.60 1.20 -3 -10 12 7.50 1.70 -3 -10 12 9.00 1.40 -3 10 12 9.70 1.00 3 10 -12 9.00 1.20 3 10 -12 7.70 1.40 -3 10 12 9.30 1.10 2 -10 -12 0.30 0.30 2 -10 -12 -0.10 0.40 -2 -10 12 -1.60 1.20 -2 10 12 0.30 0.70 2 10 -12 0.40 0.90 -2 10 12 0.80 0.90 2 10 -12 1.70 1.30 1 -10 -12 173.98 3.90 1 -10 -12 175.48 4.10 -1 10 12 176.28 4.50 1 10 -12 179.08 5.30 -1 10 12 190.88 5.20 1 10 -12 177.18 4.80 0 -10 12 13.10 1.80 0 -10 -12 18.80 1.70 0 -10 -12 18.60 1.50 0 10 -12 18.20 2.40 0 10 -12 19.30 2.10 0 10 12 20.10 1.90 0 10 12 18.30 2.10 -1 -10 -12 7.20 1.00 -1 -10 -12 8.70 1.20 1 -10 12 5.60 1.30 1 10 12 6.60 1.10 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0.17 0.00 -4 2 22 0.12 0.00 -3 2 22 0.14 0.00 -2 2 22 0.31 0.00 -1 2 22 0.05 0.00 -5 3 22 0.01 0.00 -4 3 22 -0.31 0.00 -3 3 22 -0.20 0.00 -2 3 22 -0.24 0.00 1 1 0 -67.44 0.00 0 2 0 54.84 0.00 16 5 0 -0.29 0.00 14 11 0 0.21 0.00 4 20 0 0.11 0.00 -1 0 1 -76.15 0.00 1 0 1 -62.12 0.00 -1 1 1 2.20 0.00 0 1 1 68.48 0.00 1 1 1 -0.11 0.00 0 2 1 -1.38 0.00 16 4 1 -0.21 0.00 15 8 1 0.09 0.00 -15 9 1 -0.07 0.00 -13 13 1 0.27 0.00 12 14 1 -0.24 0.00 8 18 1 0.15 0.00 -4 20 1 -0.23 0.00 4 20 1 0.51 0.00 0 0 2 59.82 0.00 -1 1 2 -60.88 0.00 0 1 2 -1.84 0.00 16 2 2 0.53 0.00 16 3 2 -0.18 0.00 -16 6 2 0.59 0.00 14 10 2 -0.19 0.00 13 12 2 -0.35 0.00 -13 13 2 -0.45 0.00 11 15 2 -0.08 0.00 10 16 2 0.22 0.00 9 17 2 -0.31 0.00 6 19 2 -0.43 0.00 -4 20 2 0.25 0.00 -4 20 3 0.30 0.00 3 20 3 -0.20 0.00 14 9 4 -0.13 0.00 13 11 4 0.40 0.00 -13 13 4 -0.43 0.00 7 18 4 0.38 0.00 15 4 5 -0.76 0.00 14 8 5 -0.02 0.00 -13 13 5 0.53 0.00 10 15 5 -0.32 0.00 9 16 5 0.04 0.00 8 17 5 0.04 0.00 -8 18 5 0.12 0.00 -6 19 5 -0.26 0.00 -3 20 5 -0.40 0.00 1 20 5 0.09 0.00 15 1 6 -0.23 0.00 -16 6 6 -0.15 0.00 14 7 6 0.19 0.00 -13 13 6 -0.06 0.00 6 18 6 -0.26 0.00 4 19 6 -0.38 0.00 -1 20 6 0.13 0.00 -16 6 7 0.43 0.00 -15 9 7 0.00 0.00 -14 11 7 0.23 0.00 12 11 7 -0.52 0.00 -12 14 7 -0.27 0.00 10 14 7 0.10 0.00 9 15 7 0.08 0.00 8 16 7 0.02 0.00 -9 17 7 -0.31 0.00 -5 19 7 -0.44 0.00 3 19 7 0.30 0.00 14 3 8 0.19 0.00 12 10 8 -0.25 0.00 -11 15 8 0.01 0.00 -7 18 8 0.06 0.00 -4 19 8 0.03 0.00 2 19 8 -0.37 0.00 13 6 9 0.11 0.00 -15 8 9 0.38 0.00 12 9 9 -0.10 0.00 11 11 9 -0.19 0.00 -13 12 9 0.48 0.00 8 15 9 -0.82 0.00 -8 17 9 -0.08 0.00 -6 18 9 -0.17 0.00 -2 19 9 0.10 0.00 -1 19 9 1.06 0.00 -16 3 10 -0.04 0.00 13 4 10 -0.16 0.00 -14 10 10 -0.34 0.00 11 10 10 -0.06 0.00 -12 13 10 -0.05 0.00 9 13 10 0.49 0.00 -9 16 10 -0.03 0.00 6 16 10 -0.53 0.00 -5 18 10 0.37 0.00 2 18 10 -0.51 0.00 -16 1 11 0.04 0.00 -16 2 11 0.29 0.00 7 2 11 -5.48 0.00 12 6 11 0.29 0.00 -13 11 11 0.55 0.00 9 12 11 -0.06 0.00 5 16 11 0.42 0.00 3 17 11 0.03 0.00 -3 18 11 -0.76 0.00 -2 18 11 -1.06 0.00 -1 18 11 -0.47 0.00 0 18 11 -0.63 0.00 12 2 12 -1.63 0.00 12 3 12 0.09 0.00 6 4 12 2.82 0.00 11 7 12 -0.25 0.00 9 11 12 -0.32 0.00 -12 12 12 -0.42 0.00 -9 15 12 0.10 0.00 4 16 12 -0.25 0.00 -5 17 12 -0.57 0.00 -15 4 13 0.05 0.00 11 5 13 -0.12 0.00 10 8 13 0.54 0.00 9 10 13 -0.27 0.00 -8 15 13 0.26 0.00 -15 1 14 -0.09 0.00 -14 6 14 0.44 0.00 8 10 14 0.39 0.00 -7 15 14 -0.37 0.00 3 15 14 0.02 0.00 -4 16 14 0.50 0.00 0 16 14 -0.06 0.00 10 1 15 -1.62 0.00 10 2 15 0.11 0.00 9 6 15 0.40 0.00 7 10 15 -0.46 0.00 -10 12 15 0.28 0.00 -9 13 15 -0.28 0.00 3 14 15 -0.04 0.00 -5 15 15 0.24 0.00 -14 0 16 0.48 0.00 -14 1 16 -0.15 0.00 9 2 16 -0.24 0.00 9 3 16 1.19 0.00 -13 6 16 -0.45 0.00 -12 8 16 -0.18 0.00 6 10 16 0.45 0.00 -10 11 16 0.17 0.00 -9 12 16 -0.04 0.00 4 12 16 0.30 0.00 3 13 16 -0.15 0.00 1 14 16 0.11 0.00 -13 3 17 -0.02 0.00 8 3 17 -1.12 0.00 -9 11 17 0.10 0.00 7 2 18 -0.33 0.00 7 3 18 0.97 0.00 -12 4 18 0.24 0.00 6 6 18 -0.53 0.00 5 8 18 -1.08 0.00 4 9 18 0.94 0.00 3 10 18 -0.78 0.00 -7 11 18 -0.45 0.00 2 11 18 0.72 0.00 -5 12 18 -0.24 0.00 0 12 18 0.30 0.00 6 1 19 -1.13 0.00 -11 4 19 0.14 0.00 5 5 19 -0.81 0.00 4 7 19 -0.14 0.00 -9 8 19 -0.06 0.00 -8 9 19 0.14 0.00 1 10 19 -0.72 0.00 -4 11 19 0.03 0.00 -3 11 19 0.26 0.00 -2 11 19 -0.17 0.00 -10 3 20 0.03 0.00 4 4 20 -0.43 0.00 -9 6 20 0.29 0.00 3 6 20 -0.81 0.00 -8 7 20 -0.52 0.00 2 7 20 0.79 0.00 -7 8 20 0.53 0.00 1 8 20 -0.50 0.00 -5 9 20 -0.13 0.00 -1 9 20 0.02 0.00 -9 0 21 0.29 0.00 -9 1 21 0.13 0.00 -9 2 21 0.11 0.00 -8 4 21 -0.04 0.00 2 4 21 0.30 0.00 1 5 21 -0.34 0.00 0 6 21 0.13 0.00 -5 7 21 0.67 0.00 -2 7 21 -0.04 0.00 -1 7 21 0.18 0.00 0 0 22 0.48 0.00 0 1 22 0.03 0.00 -6 2 22 -0.38 0.00 0 2 22 0.36 0.00 -6 3 22 -0.29 0.00 -1 3 22 -0.31 0.00 -5 4 22 0.43 0.00 -4 4 22 0.12 0.00 -3 4 22 0.47 0.00 -2 4 22 0.20 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 113 40 ' ' 2 0.500 0.000 1.000 113 40 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 1 0 2.035 0 2 0 2.537 -1 0 1 1.787 1 0 1 2.169 -1 1 1 2.191 0 1 1 1.739 1 1 1 2.513 0 2 1 2.802 0 0 2 2.381 -1 1 2 2.881 0 1 2 2.698 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL mo_molan50P 21/nk_0m_a R = 0.10 CELL 13.0621 16.0581 17.4579 90.00 101.50 90.00 SPGR P21/n # Solvent Accessible Volume = 228 # Electrons Found in S.A.V. = 79 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.939 0.462 0.453 ! 6.91 eA-3 C102 0.456 0.958 0.926 ! 5.26 eA-3 C103 0.502 0.076 0.010 ! 4.65 eA-3 Q104 0.156 0.217 0.962 ! 1.16 eA-3 Q105 0.471 0.485 0.299 ! 0.71 eA-3 Q106 0.922 0.270 0.355 ! 0.64 eA-3 Q107 0.679 0.666 0.391 ! 0.61 eA-3 Q108 0.333 0.605 0.662 ! 0.56 eA-3 Q109 0.526 0.330 0.143 ! 0.56 eA-3 Q110 0.438 0.271 0.532 ! 0.55 eA-3 Q111 0.296 0.742 0.874 ! 0.54 eA-3 Q112 0.563 0.142 0.357 ! 0.53 eA-3 Q113 0.348 0.505 0.066 ! 0.53 eA-3 Q114 0.113 0.155 0.009 ! 0.53 eA-3 Q115 0.092 0.088 0.828 ! 0.52 eA-3 Q116 0.015 0.279 0.654 ! 0.52 eA-3 Q117 0.282 0.757 0.241 ! 0.50 eA-3 ) ; _shelx_fab_checksum 70744 data_mo_molan508e_200k_0m_a_sq _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' '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' 'Fe' 'Fe' 0.3463 0.8444 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.0937(6) _cell_length_b 16.0964(9) _cell_length_c 17.5005(9) _cell_angle_alpha 90 _cell_angle_beta 101.338(2) _cell_angle_gamma 90 _cell_volume 3616.4(3) _cell_formula_units_Z 4 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 9959 _cell_measurement_theta_min 2.99 _cell_measurement_theta_max 27.07 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.312 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.464 _shelx_estimated_absorpt_T_min 0.762 _shelx_estimated_absorpt_T_max 0.964 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6748 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 48919 _diffrn_reflns_av_unetI/netI 0.0235 _diffrn_reflns_av_R_equivalents 0.0387 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.987 _diffrn_reflns_theta_max 27.128 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 7983 _reflns_number_gt 6136 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0333P)^2^+3.2322P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 7983 _refine_ls_number_parameters 537 _refine_ls_number_restraints 136 _refine_ls_R_factor_all 0.0574 _refine_ls_R_factor_gt 0.0376 _refine_ls_wR_factor_ref 0.0973 _refine_ls_wR_factor_gt 0.0839 _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_restrained_S_all 1.038 _refine_ls_shift/su_max 0.127 _refine_ls_shift/su_mean 0.001 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 Fe1 Fe 0.66265(2) 0.27512(2) 0.44988(2) 0.02224(8) Uani 1 1 d . . . . . O1 O 1.22751(10) 0.25554(10) 0.24946(8) 0.0373(4) Uani 1 1 d . . . . . O2 O 0.09986(11) 0.25165(10) 0.65563(9) 0.0421(4) Uani 1 1 d . . . . . N1 N 0.71164(11) 0.33494(9) 0.37441(9) 0.0220(3) Uani 1 1 d . . . . . N2 N 0.79428(11) 0.31802(9) 0.34363(9) 0.0229(3) Uani 1 1 d . . . . . N3 N 0.86128(11) 0.20853(10) 0.43546(9) 0.0233(3) Uani 1 1 d . . . . . N4 N 0.77505(11) 0.20484(9) 0.46430(8) 0.0223(3) Uani 1 1 d . . . . . N5 N 0.55315(11) 0.20399(9) 0.44065(8) 0.0208(3) Uani 1 1 d . . . . . N6 N 0.46844(11) 0.20654(10) 0.47142(8) 0.0223(3) Uani 1 1 d . . . . . N7 N 0.52575(11) 0.32842(10) 0.54963(9) 0.0235(3) Uani 1 1 d . . . . . N8 N 0.60768(11) 0.34081(9) 0.51650(9) 0.0230(3) Uani 1 1 d D . . . . C1 C 0.65040(14) 0.40062(11) 0.33135(11) 0.0239(4) Uani 1 1 d . . . . . C2 C 0.54621(15) 0.41067(13) 0.33605(12) 0.0321(4) Uani 1 1 d . . . . . H2 H 0.514705 0.373042 0.366272 0.039 Uiso 1 1 calc R U . . . C3 C 0.48804(16) 0.47532(15) 0.29689(13) 0.0396(5) Uani 1 1 d . . . . . H3 H 0.417354 0.482065 0.301302 0.048 Uiso 1 1 calc R U . . . C4 C 0.53177(17) 0.52998(13) 0.25156(14) 0.0392(5) Uani 1 1 d . . . . . H4 H 0.491837 0.574347 0.225110 0.047 Uiso 1 1 calc R U . . . C5 C 0.63443(17) 0.51908(13) 0.24531(14) 0.0394(5) Uani 1 1 d . . . . . H5 H 0.664817 0.555675 0.213489 0.047 Uiso 1 1 calc R U . . . C6 C 0.69364(15) 0.45541(12) 0.28489(12) 0.0318(4) Uani 1 1 d . . . . . H6 H 0.764316 0.449079 0.280308 0.038 Uiso 1 1 calc R U . . . C7 C 0.86402(13) 0.26195(11) 0.37694(10) 0.0213(4) Uani 1 1 d . . . . . C8 C 0.96030(13) 0.25745(11) 0.34434(10) 0.0206(3) Uani 1 1 d . . . . . C9 C 0.95860(13) 0.27714(11) 0.26644(10) 0.0234(4) Uani 1 1 d . . . . . H9 H 0.894732 0.292503 0.233553 0.028 Uiso 1 1 calc R U . . . C10 C 1.04841(14) 0.27459(12) 0.23664(10) 0.0248(4) Uani 1 1 d . . . . . H10 H 1.045911 0.287424 0.183320 0.030 Uiso 1 1 calc R U . . . C11 C 1.14299(14) 0.25322(11) 0.28446(11) 0.0235(4) Uani 1 1 d . . . . . C12 C 1.14656(14) 0.23254(12) 0.36200(11) 0.0256(4) Uani 1 1 d . . . . . H12 H 1.210541 0.217189 0.394744 0.031 Uiso 1 1 calc R U . . . C13 C 1.05515(14) 0.23466(12) 0.39087(11) 0.0263(4) Uani 1 1 d . . . . . H13 H 1.057308 0.220196 0.443795 0.032 Uiso 1 1 calc R U . . . C14 C 1.32660(16) 0.2374(2) 0.29672(15) 0.0549(7) Uani 1 1 d . . . . . H14A H 1.380522 0.241706 0.265212 0.082 Uiso 1 1 calc R U . . . H14B H 1.326042 0.180873 0.317483 0.082 Uiso 1 1 calc R U . . . H14C H 1.341372 0.277061 0.339951 0.082 Uiso 1 1 calc R U . . . C15 C 0.77924(13) 0.13600(11) 0.51752(10) 0.0228(4) Uani 1 1 d . . . . . C16 C 0.82517(17) 0.06098(13) 0.50311(12) 0.0332(4) Uani 1 1 d . . . . . H16 H 0.854641 0.054836 0.457979 0.040 Uiso 1 1 calc R U . . . C17 C 0.82776(18) -0.00443(13) 0.55458(13) 0.0395(5) Uani 1 1 d . . . . . H17 H 0.859536 -0.055343 0.544746 0.047 Uiso 1 1 calc R U . . . C18 C 0.78452(17) 0.00346(13) 0.62036(13) 0.0366(5) Uani 1 1 d . . . . . H18 H 0.786014 -0.041937 0.655255 0.044 Uiso 1 1 calc R U . . . C19 C 0.73931(16) 0.07765(14) 0.63482(12) 0.0349(5) Uani 1 1 d . . . . . H19 H 0.709807 0.083409 0.679980 0.042 Uiso 1 1 calc R U . . . C20 C 0.73660(15) 0.14409(13) 0.58376(11) 0.0280(4) Uani 1 1 d . . . . . H20 H 0.705528 0.195105 0.594191 0.034 Uiso 1 1 calc R U . . . C21 C 0.55157(13) 0.13354(11) 0.38992(10) 0.0210(3) Uani 1 1 d . . . . . C22 C 0.51895(17) 0.05687(13) 0.41188(12) 0.0329(4) Uani 1 1 d . . . . . H22 H 0.494817 0.051334 0.459388 0.039 Uiso 1 1 calc R U . . . C23 C 0.52154(18) -0.01181(13) 0.36446(13) 0.0371(5) Uani 1 1 d . . . . . H23 H 0.501340 -0.064736 0.380403 0.045 Uiso 1 1 calc R U . . . C24 C 0.55344(16) -0.00353(13) 0.29405(13) 0.0357(5) Uani 1 1 d . . . . . H24 H 0.554465 -0.050458 0.261289 0.043 Uiso 1 1 calc R U . . . C25 C 0.58380(16) 0.07349(14) 0.27172(13) 0.0356(5) Uani 1 1 d . . . . . H25 H 0.604849 0.079378 0.223063 0.043 Uiso 1 1 calc R U . . . C26 C 0.58394(14) 0.14230(12) 0.31938(11) 0.0271(4) Uani 1 1 d . . . . . H26 H 0.605942 0.194877 0.303958 0.033 Uiso 1 1 calc R U . . . C27 C 0.46058(13) 0.26555(11) 0.52426(10) 0.0202(3) Uani 1 1 d . . . . . C28 C 0.36654(13) 0.25947(11) 0.55954(10) 0.0214(4) Uani 1 1 d . . . . . C29 C 0.33424(15) 0.32684(13) 0.59893(12) 0.0306(4) Uani 1 1 d . . . . . H29 H 0.373858 0.376683 0.604422 0.037 Uiso 1 1 calc R U . . . C30 C 0.24540(16) 0.32193(14) 0.63000(13) 0.0360(5) Uani 1 1 d . . . . . H30 H 0.223988 0.368671 0.656034 0.043 Uiso 1 1 calc R U . . . C31 C 0.18704(14) 0.24944(13) 0.62363(11) 0.0282(4) Uani 1 1 d . . . . . C32 C 0.21984(14) 0.18083(12) 0.58713(11) 0.0271(4) Uani 1 1 d . . . . . H32 H 0.181863 0.130249 0.584088 0.033 Uiso 1 1 calc R U . . . C33 C 0.30846(14) 0.18640(12) 0.55506(11) 0.0255(4) Uani 1 1 d . . . . . H33 H 0.330032 0.139397 0.529475 0.031 Uiso 1 1 calc R U . . . C34 C 0.02655(16) 0.18576(16) 0.63648(13) 0.0422(5) Uani 1 1 d . . . . . H34A H 0.007343 0.180173 0.579704 0.063 Uiso 1 1 calc R U . . . H34B H -0.035812 0.198077 0.657551 0.063 Uiso 1 1 calc R U . . . H34C H 0.057720 0.133725 0.659025 0.063 Uiso 1 1 calc R U . . . C35 C 0.6719(9) 0.4075(7) 0.5565(8) 0.021(4) Uani 0.286(3) 1 d DG U P A 1 C36 C 0.6576(9) 0.4883(9) 0.5285(7) 0.031(4) Uani 0.286(3) 1 d G . P A 1 H36 H 0.606345 0.499744 0.483235 0.037 Uiso 0.286(3) 1 calc R U P A 1 C37 C 0.7184(10) 0.5523(6) 0.5666(8) 0.028(4) Uani 0.286(3) 1 d G . P A 1 H37 H 0.708662 0.607548 0.547407 0.033 Uiso 0.286(3) 1 calc R U P A 1 C38 C 0.7935(10) 0.5355(7) 0.6327(8) 0.038(4) Uani 0.286(3) 1 d G U P A 1 H38 H 0.835005 0.579299 0.658797 0.046 Uiso 0.286(3) 1 calc R U P A 1 C39 C 0.8077(8) 0.4547(9) 0.6608(6) 0.033(4) Uani 0.286(3) 1 d G . P A 1 H39 H 0.859031 0.443247 0.706017 0.040 Uiso 0.286(3) 1 calc R U P A 1 C40 C 0.7470(9) 0.3907(6) 0.6227(8) 0.025(4) Uani 0.286(3) 1 d G . P A 1 H40 H 0.756715 0.335441 0.641847 0.031 Uiso 0.286(3) 1 calc R U P A 1 C35' C 0.6723(7) 0.4088(5) 0.5573(6) 0.021(3) Uani 0.355(3) 1 d DG U P A 2 C36' C 0.6863(7) 0.4831(6) 0.5204(5) 0.038(3) Uani 0.355(3) 1 d G . P A 2 H36' H 0.651980 0.492192 0.468007 0.045 Uiso 0.355(3) 1 calc R U P A 2 C37' C 0.7507(7) 0.5443(4) 0.5602(6) 0.040(3) Uani 0.355(3) 1 d G . P A 2 H37' H 0.760322 0.595122 0.534922 0.048 Uiso 0.355(3) 1 calc R U P A 2 C38' C 0.8010(7) 0.5310(5) 0.6368(6) 0.044(4) Uani 0.355(3) 1 d G . P A 2 H38' H 0.844957 0.572831 0.664004 0.052 Uiso 0.355(3) 1 calc R U P A 2 C39' C 0.7869(7) 0.4567(6) 0.6738(5) 0.031(2) Uani 0.355(3) 1 d G . P A 2 H39' H 0.821252 0.447608 0.726171 0.037 Uiso 0.355(3) 1 calc R U P A 2 C40' C 0.7225(7) 0.3955(5) 0.6340(6) 0.025(2) Uani 0.355(3) 1 d G . P A 2 H40' H 0.712910 0.344677 0.659258 0.030 Uiso 0.355(3) 1 calc R U P A 2 C35" C 0.6698(7) 0.4067(5) 0.5508(5) 0.029(3) Uani 0.358(3) 1 d DG U P A 3 C36" C 0.6333(6) 0.4878(6) 0.5403(6) 0.039(3) Uani 0.358(3) 1 d G . P A 3 H36" H 0.567404 0.498673 0.508016 0.047 Uiso 0.358(3) 1 calc R U P A 3 C37" C 0.6931(8) 0.5530(4) 0.5771(7) 0.041(3) Uani 0.358(3) 1 d G . P A 3 H37" H 0.668206 0.608402 0.570007 0.049 Uiso 0.358(3) 1 calc R U P A 3 C38" C 0.7895(7) 0.5370(5) 0.6244(6) 0.046(3) Uani 0.358(3) 1 d G . P A 3 H38" H 0.830446 0.581581 0.649589 0.056 Uiso 0.358(3) 1 calc R U P A 3 C39" C 0.8260(6) 0.4559(5) 0.6349(5) 0.056(3) Uani 0.358(3) 1 d G . P A 3 H39" H 0.891887 0.445032 0.667181 0.068 Uiso 0.358(3) 1 calc R U P A 3 C40" C 0.7661(7) 0.3907(4) 0.5980(5) 0.042(3) Uani 0.358(3) 1 d G . P A 3 H40" H 0.791086 0.335303 0.605191 0.050 Uiso 0.358(3) 1 calc R U P A 3 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 Fe1 0.01824(13) 0.02581(14) 0.02486(14) -0.00115(11) 0.00961(10) -0.00140(10) O1 0.0202(7) 0.0608(10) 0.0334(8) 0.0119(7) 0.0116(6) 0.0049(6) O2 0.0251(7) 0.0563(10) 0.0509(9) -0.0142(8) 0.0224(7) -0.0062(7) N1 0.0164(7) 0.0224(8) 0.0278(8) -0.0023(6) 0.0060(6) -0.0016(6) N2 0.0191(7) 0.0252(8) 0.0256(8) -0.0010(6) 0.0073(6) -0.0012(6) N3 0.0195(7) 0.0273(8) 0.0247(8) 0.0002(6) 0.0079(6) -0.0004(6) N4 0.0210(7) 0.0266(8) 0.0205(7) -0.0004(6) 0.0071(6) -0.0019(6) N5 0.0210(7) 0.0233(8) 0.0200(7) 0.0010(6) 0.0084(6) 0.0013(6) N6 0.0191(7) 0.0288(8) 0.0205(7) -0.0003(6) 0.0076(6) -0.0012(6) N7 0.0202(7) 0.0272(8) 0.0247(8) -0.0011(6) 0.0080(6) -0.0013(6) N8 0.0200(7) 0.0249(8) 0.0250(8) 0.0000(6) 0.0065(6) -0.0013(6) C1 0.0206(8) 0.0217(9) 0.0287(9) -0.0031(7) 0.0028(7) -0.0002(7) C2 0.0229(9) 0.0377(11) 0.0359(11) 0.0014(9) 0.0062(8) 0.0013(8) C3 0.0260(10) 0.0468(13) 0.0450(13) -0.0016(10) 0.0045(9) 0.0097(9) C4 0.0367(11) 0.0279(11) 0.0488(13) 0.0009(9) -0.0020(10) 0.0090(9) C5 0.0375(12) 0.0290(11) 0.0497(13) 0.0082(10) 0.0038(10) -0.0030(9) C6 0.0249(9) 0.0278(10) 0.0426(12) 0.0036(9) 0.0063(8) -0.0015(8) C7 0.0176(8) 0.0255(9) 0.0207(8) -0.0015(7) 0.0040(7) -0.0015(7) C8 0.0198(8) 0.0204(9) 0.0223(8) -0.0005(7) 0.0061(7) -0.0006(7) C9 0.0189(8) 0.0272(9) 0.0231(9) 0.0009(7) 0.0014(7) 0.0015(7) C10 0.0251(9) 0.0307(10) 0.0190(8) 0.0035(7) 0.0056(7) 0.0012(8) C11 0.0191(8) 0.0259(9) 0.0272(9) 0.0021(7) 0.0083(7) -0.0011(7) C12 0.0195(8) 0.0307(10) 0.0255(9) 0.0062(8) 0.0017(7) 0.0021(7) C13 0.0242(9) 0.0337(10) 0.0217(9) 0.0058(8) 0.0059(7) 0.0015(8) C14 0.0185(10) 0.094(2) 0.0543(15) 0.0204(15) 0.0117(10) 0.0043(12) C15 0.0211(8) 0.0251(9) 0.0215(9) 0.0016(7) 0.0028(7) -0.0038(7) C16 0.0425(12) 0.0291(11) 0.0305(10) -0.0009(8) 0.0137(9) 0.0006(9) C17 0.0530(14) 0.0250(10) 0.0413(12) 0.0011(9) 0.0112(10) 0.0027(10) C18 0.0447(12) 0.0295(11) 0.0354(11) 0.0105(9) 0.0072(9) -0.0047(9) C19 0.0363(11) 0.0425(12) 0.0281(10) 0.0073(9) 0.0118(9) -0.0026(9) C20 0.0277(9) 0.0310(10) 0.0265(9) 0.0010(8) 0.0085(8) 0.0014(8) C21 0.0181(8) 0.0235(9) 0.0216(8) -0.0003(7) 0.0045(7) 0.0011(7) C22 0.0442(12) 0.0286(10) 0.0290(10) 0.0021(8) 0.0152(9) -0.0027(9) C23 0.0451(12) 0.0223(10) 0.0455(12) 0.0020(9) 0.0128(10) -0.0026(9) C24 0.0347(11) 0.0279(11) 0.0478(13) -0.0136(9) 0.0157(10) -0.0023(8) C25 0.0370(11) 0.0395(12) 0.0360(11) -0.0124(9) 0.0208(9) -0.0074(9) C26 0.0286(9) 0.0266(10) 0.0295(10) -0.0025(8) 0.0137(8) -0.0054(8) C27 0.0185(8) 0.0247(9) 0.0175(8) 0.0020(7) 0.0038(6) 0.0017(7) C28 0.0188(8) 0.0270(9) 0.0185(8) -0.0004(7) 0.0038(7) -0.0001(7) C29 0.0270(10) 0.0297(10) 0.0381(11) -0.0060(8) 0.0136(8) -0.0042(8) C30 0.0304(10) 0.0357(12) 0.0467(13) -0.0126(10) 0.0194(9) -0.0003(9) C31 0.0195(9) 0.0411(11) 0.0258(9) -0.0033(8) 0.0088(7) -0.0010(8) C32 0.0231(9) 0.0320(10) 0.0276(9) -0.0019(8) 0.0085(8) -0.0065(8) C33 0.0249(9) 0.0278(10) 0.0249(9) -0.0037(7) 0.0079(7) -0.0006(7) C34 0.0237(10) 0.0649(16) 0.0405(12) -0.0019(11) 0.0123(9) -0.0103(10) C35 0.019(6) 0.021(5) 0.026(5) -0.003(4) 0.008(3) -0.002(3) C36 0.043(8) 0.024(4) 0.026(5) -0.003(3) 0.008(6) 0.006(4) C37 0.040(7) 0.019(4) 0.030(5) -0.004(3) 0.020(5) 0.004(4) C38 0.040(6) 0.037(5) 0.039(6) -0.005(4) 0.011(4) -0.005(4) C39 0.024(6) 0.040(5) 0.036(6) -0.001(4) 0.004(5) -0.008(4) C40 0.015(6) 0.029(4) 0.034(6) 0.004(4) 0.008(5) -0.002(3) C35' 0.020(5) 0.019(4) 0.026(4) -0.007(3) 0.006(3) -0.007(3) C36' 0.051(6) 0.030(4) 0.030(4) 0.003(3) 0.002(4) -0.010(4) C37' 0.049(6) 0.024(4) 0.046(4) -0.003(3) 0.007(4) -0.007(3) C38' 0.044(6) 0.039(5) 0.045(5) -0.011(4) 0.003(4) -0.021(4) C39' 0.024(4) 0.040(4) 0.031(4) -0.010(3) 0.010(3) -0.007(3) C40' 0.016(4) 0.031(3) 0.029(3) -0.003(2) 0.009(3) -0.002(3) C35" 0.029(4) 0.035(4) 0.027(4) 0.001(3) 0.014(3) 0.001(3) C36" 0.042(5) 0.036(3) 0.039(5) -0.005(3) 0.008(4) 0.006(3) C37" 0.056(6) 0.029(4) 0.043(5) -0.006(3) 0.024(4) -0.002(3) C38" 0.054(6) 0.027(4) 0.058(6) -0.015(4) 0.013(4) -0.020(4) C39" 0.041(5) 0.040(4) 0.078(7) -0.009(4) -0.013(5) -0.012(3) C40" 0.035(4) 0.026(3) 0.059(6) -0.004(3) -0.002(4) -0.008(3) _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 Fe1 N5 1.8171(15) . ? Fe1 N8 1.8236(15) . ? Fe1 N4 1.8339(15) . ? Fe1 N1 1.8482(15) . ? O1 C11 1.367(2) . ? O1 C14 1.425(3) . ? O2 C31 1.367(2) . ? O2 C34 1.426(3) . ? N1 N2 1.328(2) . ? N1 C1 1.446(2) . ? N2 C7 1.334(2) . ? N3 N4 1.326(2) . ? N3 C7 1.343(2) . ? N4 C15 1.442(2) . ? N5 N6 1.3253(19) . ? N5 C21 1.438(2) . ? N6 C27 1.344(2) . ? N7 N8 1.331(2) . ? N7 C27 1.342(2) . ? N8 C35" 1.397(6) . ? N8 C35 1.455(8) . ? N8 C35' 1.478(6) . ? C1 C2 1.392(3) . ? C1 C6 1.393(3) . ? C2 C3 1.388(3) . ? C2 H2 0.9500 . ? C3 C4 1.382(3) . ? C3 H3 0.9500 . ? C4 C5 1.381(3) . ? C4 H4 0.9500 . ? C5 C6 1.386(3) . ? C5 H5 0.9500 . ? C6 H6 0.9500 . ? C7 C8 1.484(2) . ? C8 C13 1.394(2) . ? C8 C9 1.396(2) . ? C9 C10 1.377(2) . ? C9 H9 0.9500 . ? C10 C11 1.395(2) . ? C10 H10 0.9500 . ? C11 C12 1.389(2) . ? C12 C13 1.388(2) . ? C12 H12 0.9500 . ? C13 H13 0.9500 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 C20 1.388(2) . ? C15 C16 1.394(3) . ? C16 C17 1.382(3) . ? C16 H16 0.9500 . ? C17 C18 1.385(3) . ? C17 H17 0.9500 . ? C18 C19 1.378(3) . ? C18 H18 0.9500 . ? C19 C20 1.390(3) . ? C19 H19 0.9500 . ? C20 H20 0.9500 . ? C21 C22 1.385(3) . ? C21 C26 1.389(2) . ? C22 C23 1.387(3) . ? C22 H22 0.9500 . ? C23 C24 1.383(3) . ? C23 H23 0.9500 . ? C24 C25 1.382(3) . ? C24 H24 0.9500 . ? C25 C26 1.386(3) . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? C27 C28 1.485(2) . ? C28 C33 1.394(3) . ? C28 C29 1.394(3) . ? C29 C30 1.380(3) . ? C29 H29 0.9500 . ? C30 C31 1.387(3) . ? C30 H30 0.9500 . ? C31 C32 1.386(3) . ? C32 C33 1.388(2) . ? C32 H32 0.9500 . ? C33 H33 0.9500 . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 C36 1.3900 . ? C35 C40 1.3900 . ? C36 C37 1.3900 . ? C36 H36 0.9500 . ? C37 C38 1.3900 . ? C37 H37 0.9500 . ? C38 C39 1.3900 . ? C38 H38 0.9500 . ? C39 C40 1.3900 . ? C39 H39 0.9500 . ? C40 H40 0.9500 . ? C35' C36' 1.3900 . ? C35' C40' 1.3900 . ? C36' C37' 1.3900 . ? C36' H36' 0.9500 . ? C37' C38' 1.3900 . ? C37' H37' 0.9500 . ? C38' C39' 1.3900 . ? C38' H38' 0.9500 . ? C39' C40' 1.3900 . ? C39' H39' 0.9500 . ? C40' H40' 0.9500 . ? C35" C36" 1.3900 . ? C35" C40" 1.3900 . ? C36" C37" 1.3900 . ? C36" H36" 0.9500 . ? C37" C38" 1.3900 . ? C37" H37" 0.9500 . ? C38" C39" 1.3900 . ? C38" H38" 0.9500 . ? C39" C40" 1.3900 . ? C39" H39" 0.9500 . ? C40" H40" 0.9500 . ? 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 N5 Fe1 N8 91.05(6) . . ? N5 Fe1 N4 102.79(7) . . ? N8 Fe1 N4 132.58(7) . . ? N5 Fe1 N1 130.05(7) . . ? N8 Fe1 N1 113.01(7) . . ? N4 Fe1 N1 92.17(6) . . ? C11 O1 C14 117.34(16) . . ? C31 O2 C34 117.52(16) . . ? N2 N1 C1 110.55(14) . . ? N2 N1 Fe1 127.43(12) . . ? C1 N1 Fe1 121.23(11) . . ? N1 N2 C7 120.25(15) . . ? N4 N3 C7 118.13(15) . . ? N3 N4 C15 110.69(14) . . ? N3 N4 Fe1 129.83(12) . . ? C15 N4 Fe1 119.39(11) . . ? N6 N5 C21 111.33(14) . . ? N6 N5 Fe1 130.78(12) . . ? C21 N5 Fe1 117.84(11) . . ? N5 N6 C27 119.01(15) . . ? N8 N7 C27 118.91(15) . . ? N7 N8 C35" 112.2(4) . . ? N7 N8 C35 109.9(5) . . ? N7 N8 C35' 109.5(5) . . ? N7 N8 Fe1 130.16(12) . . ? C35" N8 Fe1 116.4(4) . . ? C35 N8 Fe1 118.1(5) . . ? C35' N8 Fe1 118.6(5) . . ? C2 C1 C6 118.45(18) . . ? C2 C1 N1 120.23(17) . . ? C6 C1 N1 121.31(16) . . ? C3 C2 C1 120.4(2) . . ? C3 C2 H2 119.8 . . ? C1 C2 H2 119.8 . . ? C4 C3 C2 120.8(2) . . ? C4 C3 H3 119.6 . . ? C2 C3 H3 119.6 . . ? C5 C4 C3 119.0(2) . . ? C5 C4 H4 120.5 . . ? C3 C4 H4 120.5 . . ? C4 C5 C6 120.8(2) . . ? C4 C5 H5 119.6 . . ? C6 C5 H5 119.6 . . ? C5 C6 C1 120.56(19) . . ? C5 C6 H6 119.7 . . ? C1 C6 H6 119.7 . . ? N2 C7 N3 130.38(16) . . ? N2 C7 C8 115.17(15) . . ? N3 C7 C8 114.45(15) . . ? C13 C8 C9 118.15(16) . . ? C13 C8 C7 120.99(16) . . ? C9 C8 C7 120.86(16) . . ? C10 C9 C8 120.81(16) . . ? C10 C9 H9 119.6 . . ? C8 C9 H9 119.6 . . ? C9 C10 C11 120.24(16) . . ? C9 C10 H10 119.9 . . ? C11 C10 H10 119.9 . . ? O1 C11 C12 124.73(16) . . ? O1 C11 C10 115.22(16) . . ? C12 C11 C10 120.05(16) . . ? C13 C12 C11 118.94(16) . . ? C13 C12 H12 120.5 . . ? C11 C12 H12 120.5 . . ? C12 C13 C8 121.79(17) . . ? C12 C13 H13 119.1 . . ? C8 C13 H13 119.1 . . ? O1 C14 H14A 109.5 . . ? O1 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O1 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C20 C15 C16 119.40(17) . . ? C20 C15 N4 119.79(17) . . ? C16 C15 N4 120.80(16) . . ? C17 C16 C15 119.90(19) . . ? C17 C16 H16 120.1 . . ? C15 C16 H16 120.1 . . ? C16 C17 C18 120.7(2) . . ? C16 C17 H17 119.7 . . ? C18 C17 H17 119.7 . . ? C19 C18 C17 119.51(19) . . ? C19 C18 H18 120.2 . . ? C17 C18 H18 120.2 . . ? C18 C19 C20 120.42(19) . . ? C18 C19 H19 119.8 . . ? C20 C19 H19 119.8 . . ? C15 C20 C19 120.08(19) . . ? C15 C20 H20 120.0 . . ? C19 C20 H20 120.0 . . ? C22 C21 C26 120.12(17) . . ? C22 C21 N5 119.95(16) . . ? C26 C21 N5 119.93(16) . . ? C21 C22 C23 119.95(18) . . ? C21 C22 H22 120.0 . . ? C23 C22 H22 120.0 . . ? C24 C23 C22 120.23(19) . . ? C24 C23 H23 119.9 . . ? C22 C23 H23 119.9 . . ? C25 C24 C23 119.50(19) . . ? C25 C24 H24 120.2 . . ? C23 C24 H24 120.2 . . ? C24 C25 C26 120.88(19) . . ? C24 C25 H25 119.6 . . ? C26 C25 H25 119.6 . . ? C25 C26 C21 119.28(18) . . ? C25 C26 H26 120.4 . . ? C21 C26 H26 120.4 . . ? N7 C27 N6 129.13(16) . . ? N7 C27 C28 115.93(15) . . ? N6 C27 C28 114.93(15) . . ? C33 C28 C29 117.95(16) . . ? C33 C28 C27 121.31(16) . . ? C29 C28 C27 120.73(16) . . ? C30 C29 C28 120.76(18) . . ? C30 C29 H29 119.6 . . ? C28 C29 H29 119.6 . . ? C29 C30 C31 120.68(18) . . ? C29 C30 H30 119.7 . . ? C31 C30 H30 119.7 . . ? O2 C31 C32 124.68(18) . . ? O2 C31 C30 115.86(17) . . ? C32 C31 C30 119.45(17) . . ? C31 C32 C33 119.64(18) . . ? C31 C32 H32 120.2 . . ? C33 C32 H32 120.2 . . ? C32 C33 C28 121.46(18) . . ? C32 C33 H33 119.3 . . ? C28 C33 H33 119.3 . . ? O2 C34 H34A 109.5 . . ? O2 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O2 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C36 C35 C40 120.0 . . ? C36 C35 N8 119.7(9) . . ? C40 C35 N8 120.3(9) . . ? C35 C36 C37 120.0 . . ? C35 C36 H36 120.0 . . ? C37 C36 H36 120.0 . . ? C38 C37 C36 120.0 . . ? C38 C37 H37 120.0 . . ? C36 C37 H37 120.0 . . ? C39 C38 C37 120.0 . . ? C39 C38 H38 120.0 . . ? C37 C38 H38 120.0 . . ? C38 C39 C40 120.0 . . ? C38 C39 H39 120.0 . . ? C40 C39 H39 120.0 . . ? C39 C40 C35 120.0 . . ? C39 C40 H40 120.0 . . ? C35 C40 H40 120.0 . . ? C36' C35' C40' 120.0 . . ? C36' C35' N8 121.9(6) . . ? C40' C35' N8 118.1(6) . . ? C35' C36' C37' 120.0 . . ? C35' C36' H36' 120.0 . . ? C37' C36' H36' 120.0 . . ? C38' C37' C36' 120.0 . . ? C38' C37' H37' 120.0 . . ? C36' C37' H37' 120.0 . . ? C37' C38' C39' 120.0 . . ? C37' C38' H38' 120.0 . . ? C39' C38' H38' 120.0 . . ? C38' C39' C40' 120.0 . . ? C38' C39' H39' 120.0 . . ? C40' C39' H39' 120.0 . . ? C39' C40' C35' 120.0 . . ? C39' C40' H40' 120.0 . . ? C35' C40' H40' 120.0 . . ? C36" C35" C40" 120.0 . . ? C36" C35" N8 120.0(6) . . ? C40" C35" N8 119.9(6) . . ? C37" C36" C35" 120.0 . . ? C37" C36" H36" 120.0 . . ? C35" C36" H36" 120.0 . . ? C38" C37" C36" 120.0 . . ? C38" C37" H37" 120.0 . . ? C36" C37" H37" 120.0 . . ? C37" C38" C39" 120.0 . . ? C37" C38" H38" 120.0 . . ? C39" C38" H38" 120.0 . . ? C38" C39" C40" 120.0 . . ? C38" C39" H39" 120.0 . . ? C40" C39" H39" 120.0 . . ? C39" C40" C35" 120.0 . . ? C39" C40" H40" 120.0 . . ? C35" C40" H40" 120.0 . . ? _refine_diff_density_max 0.273 _refine_diff_density_min -0.379 _refine_diff_density_rms 0.059 _shelx_res_file ; TITL mo_molan508e_200K_0m_a.res in P2(1)/n mo_molan508e_200k_0m_a_sq.res created by SHELXL-2018/1 at 13:21:04 on 22-Oct-2018 REM Old TITL mo_molan508e_200K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.135, Rweak 0.002, Alpha 0.045, Orientation as input REM Formula found by SHELXT: C43 N9 O Fe CELL 0.71073 13.0937 16.0964 17.5005 90.000 101.338 90.000 ZERR 4.000 0.0006 0.0009 0.0009 0.000 0.002 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C N O FE H UNIT 160 32 8 4 136 LIST 4 TEMP -73.060 SIZE 0.080 0.360 0.620 L.S. 5 0 23 BOND $H acta dfix 1.44 0.01 N8 C35 N8 C35' N8 C35" rigu 0.002 C35 > C40 rigu 0.002 C35' > C40' rigu 0.002 C35" > C40" sump 1 0.0001 1 2 1 3 1 4 isor 0.005 C38 c35 C35' C35" PLAN 5 ACTA ABIN WGHT 0.033300 3.232200 FVAR 0.20420 0.28607 0.35543 0.35850 FE1 4 0.662653 0.275121 0.449878 11.00000 0.01824 0.02581 = 0.02486 -0.00115 0.00961 -0.00140 O1 3 1.227509 0.255542 0.249456 11.00000 0.02023 0.06082 = 0.03345 0.01191 0.01162 0.00488 O2 3 0.099857 0.251650 0.655633 11.00000 0.02512 0.05633 = 0.05094 -0.01417 0.02237 -0.00616 N1 2 0.711641 0.334936 0.374407 11.00000 0.01639 0.02239 = 0.02779 -0.00226 0.00605 -0.00156 N2 2 0.794282 0.318018 0.343628 11.00000 0.01913 0.02515 = 0.02563 -0.00101 0.00734 -0.00117 N3 2 0.861282 0.208530 0.435457 11.00000 0.01947 0.02726 = 0.02469 0.00018 0.00788 -0.00043 N4 2 0.775048 0.204838 0.464300 11.00000 0.02102 0.02662 = 0.02053 -0.00036 0.00711 -0.00187 N5 2 0.553147 0.203986 0.440653 11.00000 0.02100 0.02326 = 0.01998 0.00100 0.00838 0.00130 N6 2 0.468443 0.206535 0.471420 11.00000 0.01913 0.02879 = 0.02047 -0.00031 0.00760 -0.00119 N7 2 0.525753 0.328424 0.549633 11.00000 0.02019 0.02721 = 0.02469 -0.00109 0.00805 -0.00130 N8 2 0.607678 0.340810 0.516497 11.00000 0.02001 0.02487 = 0.02504 -0.00001 0.00654 -0.00132 C1 1 0.650399 0.400622 0.331345 11.00000 0.02058 0.02174 = 0.02866 -0.00313 0.00283 -0.00022 C2 1 0.546210 0.410674 0.336054 11.00000 0.02293 0.03771 = 0.03587 0.00136 0.00617 0.00129 AFIX 43 H2 5 0.514705 0.373042 0.366272 11.00000 -1.20000 AFIX 0 C3 1 0.488041 0.475323 0.296887 11.00000 0.02599 0.04683 = 0.04497 -0.00156 0.00450 0.00974 AFIX 43 H3 5 0.417354 0.482065 0.301302 11.00000 -1.20000 AFIX 0 C4 1 0.531765 0.529977 0.251558 11.00000 0.03665 0.02787 = 0.04882 0.00094 -0.00201 0.00897 AFIX 43 H4 5 0.491837 0.574347 0.225110 11.00000 -1.20000 AFIX 0 C5 1 0.634429 0.519080 0.245308 11.00000 0.03749 0.02901 = 0.04969 0.00820 0.00381 -0.00302 AFIX 43 H5 5 0.664817 0.555675 0.213489 11.00000 -1.20000 AFIX 0 C6 1 0.693636 0.455414 0.284891 11.00000 0.02489 0.02785 = 0.04255 0.00357 0.00632 -0.00155 AFIX 43 H6 5 0.764316 0.449079 0.280308 11.00000 -1.20000 AFIX 0 C7 1 0.864020 0.261950 0.376938 11.00000 0.01763 0.02554 = 0.02070 -0.00146 0.00398 -0.00149 C8 1 0.960297 0.257447 0.344336 11.00000 0.01982 0.02040 = 0.02234 -0.00054 0.00613 -0.00058 C9 1 0.958605 0.277143 0.266435 11.00000 0.01890 0.02716 = 0.02308 0.00094 0.00143 0.00154 AFIX 43 H9 5 0.894732 0.292503 0.233553 11.00000 -1.20000 AFIX 0 C10 1 1.048412 0.274585 0.236641 11.00000 0.02507 0.03071 = 0.01904 0.00349 0.00561 0.00121 AFIX 43 H10 5 1.045911 0.287424 0.183320 11.00000 -1.20000 AFIX 0 C11 1 1.142994 0.253217 0.284462 11.00000 0.01910 0.02585 = 0.02716 0.00210 0.00835 -0.00115 C12 1 1.146562 0.232541 0.361997 11.00000 0.01954 0.03068 = 0.02550 0.00619 0.00165 0.00212 AFIX 43 H12 5 1.210541 0.217189 0.394744 11.00000 -1.20000 AFIX 0 C13 1 1.055154 0.234664 0.390874 11.00000 0.02415 0.03372 = 0.02173 0.00581 0.00593 0.00149 AFIX 43 H13 5 1.057308 0.220196 0.443795 11.00000 -1.20000 AFIX 0 C14 1 1.326599 0.237377 0.296716 11.00000 0.01851 0.09378 = 0.05426 0.02042 0.01172 0.00434 AFIX 137 H14A 5 1.380522 0.241706 0.265212 11.00000 -1.50000 H14B 5 1.326042 0.180873 0.317483 11.00000 -1.50000 H14C 5 1.341372 0.277061 0.339951 11.00000 -1.50000 AFIX 0 C15 1 0.779244 0.135995 0.517516 11.00000 0.02110 0.02506 = 0.02154 0.00156 0.00280 -0.00379 C16 1 0.825168 0.060981 0.503114 11.00000 0.04255 0.02910 = 0.03054 -0.00091 0.01370 0.00055 AFIX 43 H16 5 0.854641 0.054836 0.457979 11.00000 -1.20000 AFIX 0 C17 1 0.827762 -0.004429 0.554581 11.00000 0.05297 0.02502 = 0.04133 0.00107 0.01122 0.00267 AFIX 43 H17 5 0.859536 -0.055343 0.544746 11.00000 -1.20000 AFIX 0 C18 1 0.784521 0.003456 0.620359 11.00000 0.04467 0.02947 = 0.03544 0.01047 0.00722 -0.00466 AFIX 43 H18 5 0.786014 -0.041937 0.655255 11.00000 -1.20000 AFIX 0 C19 1 0.739307 0.077653 0.634818 11.00000 0.03634 0.04246 = 0.02809 0.00733 0.01178 -0.00261 AFIX 43 H19 5 0.709807 0.083409 0.679980 11.00000 -1.20000 AFIX 0 C20 1 0.736600 0.144086 0.583757 11.00000 0.02769 0.03104 = 0.02651 0.00101 0.00852 0.00145 AFIX 43 H20 5 0.705528 0.195105 0.594191 11.00000 -1.20000 AFIX 0 C21 1 0.551571 0.133544 0.389917 11.00000 0.01809 0.02348 = 0.02164 -0.00034 0.00445 0.00109 C22 1 0.518952 0.056873 0.411876 11.00000 0.04423 0.02859 = 0.02899 0.00215 0.01516 -0.00272 AFIX 43 H22 5 0.494817 0.051334 0.459388 11.00000 -1.20000 AFIX 0 C23 1 0.521543 -0.011812 0.364464 11.00000 0.04509 0.02233 = 0.04553 0.00196 0.01282 -0.00256 AFIX 43 H23 5 0.501340 -0.064736 0.380403 11.00000 -1.20000 AFIX 0 C24 1 0.553437 -0.003534 0.294054 11.00000 0.03467 0.02788 = 0.04776 -0.01363 0.01572 -0.00230 AFIX 43 H24 5 0.554465 -0.050458 0.261289 11.00000 -1.20000 AFIX 0 C25 1 0.583795 0.073494 0.271724 11.00000 0.03697 0.03947 = 0.03604 -0.01243 0.02080 -0.00743 AFIX 43 H25 5 0.604849 0.079378 0.223063 11.00000 -1.20000 AFIX 0 C26 1 0.583941 0.142304 0.319379 11.00000 0.02858 0.02661 = 0.02951 -0.00249 0.01371 -0.00538 AFIX 43 H26 5 0.605942 0.194877 0.303958 11.00000 -1.20000 AFIX 0 C27 1 0.460577 0.265546 0.524257 11.00000 0.01854 0.02474 = 0.01750 0.00197 0.00378 0.00166 C28 1 0.366536 0.259469 0.559544 11.00000 0.01880 0.02702 = 0.01854 -0.00037 0.00381 -0.00008 C29 1 0.334242 0.326835 0.598925 11.00000 0.02701 0.02970 = 0.03808 -0.00597 0.01361 -0.00422 AFIX 43 H29 5 0.373858 0.376683 0.604422 11.00000 -1.20000 AFIX 0 C30 1 0.245404 0.321927 0.630003 11.00000 0.03041 0.03575 = 0.04673 -0.01257 0.01936 -0.00026 AFIX 43 H30 5 0.223988 0.368671 0.656034 11.00000 -1.20000 AFIX 0 C31 1 0.187037 0.249437 0.623628 11.00000 0.01945 0.04107 = 0.02582 -0.00330 0.00875 -0.00100 C32 1 0.219836 0.180830 0.587135 11.00000 0.02311 0.03201 = 0.02764 -0.00188 0.00847 -0.00652 AFIX 43 H32 5 0.181863 0.130249 0.584088 11.00000 -1.20000 AFIX 0 C33 1 0.308457 0.186404 0.555058 11.00000 0.02495 0.02781 = 0.02489 -0.00375 0.00790 -0.00065 AFIX 43 H33 5 0.330032 0.139397 0.529475 11.00000 -1.20000 AFIX 0 C34 1 0.026549 0.185758 0.636482 11.00000 0.02372 0.06487 = 0.04045 -0.00190 0.01232 -0.01033 AFIX 137 H34A 5 0.007343 0.180173 0.579704 11.00000 -1.50000 H34B 5 -0.035812 0.198077 0.657551 11.00000 -1.50000 H34C 5 0.057720 0.133725 0.659025 11.00000 -1.50000 AFIX 66 PART 1 21.00 C35 1 0.671909 0.407457 0.556507 21.00000 0.01902 0.02081 = 0.02556 -0.00295 0.00786 -0.00214 C36 1 0.657638 0.488275 0.528458 21.00000 0.04305 0.02359 = 0.02593 -0.00343 0.00772 0.00588 AFIX 43 H36 5 0.606345 0.499744 0.483235 21.00000 -1.20000 AFIX 65 C37 1 0.718416 0.552312 0.566577 21.00000 0.03973 0.01852 = 0.02985 -0.00449 0.02001 0.00378 AFIX 43 H37 5 0.708662 0.607548 0.547407 21.00000 -1.20000 AFIX 65 C38 1 0.793466 0.535532 0.632745 21.00000 0.03969 0.03657 = 0.03900 -0.00524 0.01057 -0.00454 AFIX 43 H38 5 0.835005 0.579299 0.658797 21.00000 -1.20000 AFIX 65 C39 1 0.807738 0.454715 0.660794 21.00000 0.02383 0.04002 = 0.03552 -0.00115 0.00368 -0.00820 AFIX 43 H39 5 0.859031 0.443247 0.706017 21.00000 -1.20000 AFIX 65 C40 1 0.746960 0.390677 0.622676 21.00000 0.01497 0.02906 = 0.03373 0.00405 0.00788 -0.00173 AFIX 43 H40 5 0.756715 0.335441 0.641847 21.00000 -1.20000 AFIX 66 PART 2 31.000 C35' 1 0.672258 0.408757 0.557340 31.00000 0.01977 0.01892 = 0.02571 -0.00664 0.00620 -0.00737 C36' 1 0.686341 0.483142 0.520412 31.00000 0.05128 0.03028 = 0.02952 0.00316 0.00215 -0.00991 AFIX 43 H36' 5 0.651980 0.492192 0.468007 31.00000 -1.20000 AFIX 65 C37' 1 0.750698 0.544284 0.560161 31.00000 0.04929 0.02422 = 0.04584 -0.00304 0.00733 -0.00669 AFIX 43 H37' 5 0.760322 0.595122 0.534922 31.00000 -1.20000 AFIX 65 C38' 1 0.800973 0.531042 0.636837 31.00000 0.04427 0.03941 = 0.04488 -0.01090 0.00290 -0.02076 AFIX 43 H38' 5 0.844957 0.572831 0.664004 31.00000 -1.20000 AFIX 65 C39' 1 0.786891 0.456658 0.673766 31.00000 0.02352 0.04031 = 0.03093 -0.00965 0.00980 -0.00687 AFIX 43 H39' 5 0.821252 0.447608 0.726171 31.00000 -1.20000 AFIX 65 C40' 1 0.722534 0.395515 0.634019 31.00000 0.01564 0.03098 = 0.02897 -0.00258 0.00886 -0.00220 AFIX 43 H40' 5 0.712910 0.344677 0.659258 31.00000 -1.20000 AFIX 66 PART 3 41.000 C35" 1 0.669766 0.406672 0.550775 41.00000 0.02915 0.03455 = 0.02725 0.00125 0.01370 0.00119 C36" 1 0.633271 0.487784 0.540325 41.00000 0.04181 0.03570 = 0.03896 -0.00513 0.00768 0.00552 AFIX 43 H36" 5 0.567404 0.498673 0.508016 41.00000 -1.20000 AFIX 65 C37" 1 0.693149 0.552965 0.577149 41.00000 0.05571 0.02903 = 0.04300 -0.00625 0.02356 -0.00238 AFIX 43 H37" 5 0.668206 0.608402 0.570007 41.00000 -1.20000 AFIX 65 C38" 1 0.789523 0.537033 0.624422 41.00000 0.05378 0.02746 = 0.05846 -0.01488 0.01268 -0.01993 AFIX 43 H38" 5 0.830446 0.581581 0.649589 41.00000 -1.20000 AFIX 65 C39" 1 0.826020 0.455921 0.634872 41.00000 0.04071 0.04012 = 0.07812 -0.00934 -0.01259 -0.01199 AFIX 43 H39" 5 0.891887 0.445032 0.667181 41.00000 -1.20000 AFIX 65 C40" 1 0.766142 0.390739 0.598049 41.00000 0.03512 0.02624 = 0.05850 -0.00378 -0.00227 -0.00812 AFIX 43 H40" 5 0.791086 0.335303 0.605191 41.00000 -1.20000 part 0 AFIX 0 HKLF 4 REM mo_molan508e_200K_0m_a.res in P2(1)/n REM R1 = 0.0376 for 6136 Fo > 4sig(Fo) and 0.0574 for all 7983 data REM 537 parameters refined using 136 restraints END WGHT 0.0333 3.2322 REM Highest difference peak 0.273, deepest hole -0.379, 1-sigma level 0.059 Q1 1 0.9126 0.2609 0.3598 11.00000 0.05 0.27 Q2 1 0.0115 0.2780 0.6526 11.00000 0.05 0.27 Q3 1 0.5957 0.4022 0.3183 11.00000 0.05 0.25 Q4 1 0.7140 0.3974 0.5796 11.00000 0.05 0.23 Q5 1 0.7729 0.1437 0.5590 11.00000 0.05 0.23 ; _shelx_res_checksum 61698 _shelx_hkl_file ; 2 0 0 232.48 4.40 2 0 0 236.18 4.40 -2 0 0 227.88 4.40 -2 0 0 230.48 4.40 3 0 0 -0.40 0.20 3 0 0 -0.30 0.20 -3 0 0 -0.80 0.20 4 0 0 356.46 6.70 4 0 0 349.17 6.70 -4 0 0 354.26 6.80 -4 0 0 358.06 6.70 5 0 0 -0.10 0.20 -5 0 0 -0.20 0.30 -5 0 0 -0.40 0.30 5 0 0 -0.30 0.20 -6 0 0 543.15 10.20 6 0 0 527.45 10.10 6 0 0 538.75 10.10 -6 0 0 539.05 10.30 7 0 0 0.10 0.30 -7 0 0 0.90 0.40 7 0 0 0.40 0.30 -7 0 0 0.20 0.40 -8 0 0 95.99 2.50 -8 0 0 98.49 2.50 8 0 0 98.29 2.30 8 0 0 96.09 2.30 9 0 0 -0.60 0.40 -9 0 0 0.20 0.50 9 0 0 0.40 0.40 -9 0 0 -0.30 0.50 10 0 0 268.77 5.50 -10 0 0 265.57 5.90 -10 0 0 272.97 5.80 10 0 0 269.67 5.50 11 0 0 0.00 0.50 -11 0 0 0.50 0.70 -11 0 0 -0.40 0.60 11 0 0 -0.80 0.50 12 0 0 9.60 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1.30 -12 5 0 4.90 0.90 -12 5 0 7.60 1.00 12 5 0 6.70 1.00 12 5 0 5.60 0.90 -13 -5 0 68.89 2.90 -13 -5 0 67.89 3.10 13 5 0 66.59 2.50 13 5 0 66.99 2.60 -13 5 0 64.69 2.60 -13 5 0 64.69 2.60 -14 -5 0 13.20 1.60 -14 -5 0 15.20 1.80 -14 5 0 15.10 2.00 -14 5 0 12.60 1.40 14 5 0 15.30 1.80 14 5 0 15.00 1.80 -15 -5 0 7.10 1.60 -15 -5 0 7.80 1.80 15 5 0 7.50 1.10 15 5 0 8.90 1.20 -15 5 0 9.90 1.40 -15 5 0 8.50 1.50 0 -6 0 231.68 4.70 0 -6 0 229.88 4.80 0 6 0 229.48 4.70 0 6 0 224.08 4.80 -1 -6 0 70.49 1.80 1 -6 0 68.09 1.70 1 -6 0 69.09 1.80 -1 -6 0 71.59 2.00 -1 6 0 69.19 1.90 -1 6 0 69.29 1.80 1 6 0 67.59 2.00 1 6 0 69.59 1.90 -2 -6 0 6.60 0.90 -2 -6 0 6.20 0.70 2 -6 0 5.40 0.60 2 -6 0 5.20 0.60 2 6 0 3.60 0.60 2 6 0 4.60 0.60 -2 6 0 5.10 0.60 -2 6 0 5.30 0.70 -3 -6 0 -0.20 0.50 3 -6 0 0.20 0.30 -3 -6 0 0.20 0.40 3 -6 0 0.10 0.30 -3 6 0 -0.10 0.30 3 6 0 -0.20 0.40 3 6 0 -0.40 0.50 -4 -6 0 291.97 5.90 4 -6 0 287.87 5.60 -4 -6 0 286.77 6.10 4 -6 0 278.47 5.60 4 6 0 294.17 6.00 -4 6 0 282.27 5.80 4 6 0 289.17 6.00 -4 6 0 291.87 5.80 5 -6 0 60.49 1.50 -5 -6 0 60.79 1.90 -5 -6 0 58.79 2.10 5 -6 0 60.39 1.50 -5 6 0 60.29 1.70 -5 6 0 60.79 1.70 5 6 0 59.39 1.90 5 6 0 57.69 1.90 -6 -6 0 70.99 2.10 6 -6 0 69.79 1.60 -6 -6 0 68.49 2.30 6 -6 0 70.29 1.60 6 6 0 67.89 2.10 -6 6 0 69.69 1.90 -6 6 0 73.09 2.00 6 6 0 69.09 2.20 7 -6 0 121.89 2.60 7 -6 0 123.09 2.60 -7 -6 0 127.29 3.40 -7 -6 0 127.19 3.20 7 6 0 127.79 3.20 -7 6 0 127.79 3.00 -7 6 0 125.29 3.00 7 6 0 128.09 3.20 8 -6 0 1.00 0.20 8 -6 0 1.00 0.20 -8 -6 0 1.80 0.70 -8 -6 0 1.30 0.80 8 6 0 1.40 0.70 -8 6 0 1.20 0.50 8 6 0 1.70 0.70 -8 6 0 1.70 0.50 -9 -6 0 17.30 1.70 -9 -6 0 16.00 1.50 9 6 0 16.00 1.40 9 6 0 17.60 1.50 -9 6 0 16.10 1.30 -9 6 0 15.30 1.30 -10 -6 0 138.19 4.10 -10 -6 0 125.79 4.30 10 6 0 144.29 3.70 10 6 0 138.29 3.70 -10 6 0 136.79 3.50 -10 6 0 140.39 3.50 -11 -6 0 8.80 1.20 -11 -6 0 10.90 1.40 11 6 0 13.60 1.60 -11 6 0 12.50 1.40 11 6 0 9.30 1.10 -11 6 0 11.80 1.40 -12 -6 0 19.90 2.10 -12 6 0 22.40 1.70 12 6 0 22.00 1.90 -12 6 0 23.20 1.80 12 6 0 22.60 1.80 -13 -6 0 4.40 1.20 -13 -6 0 6.40 1.40 -13 6 0 5.70 1.10 -13 6 0 8.30 1.20 13 6 0 7.30 1.10 13 6 0 5.20 1.10 -14 -6 0 5.40 1.70 -14 -6 0 2.90 1.30 -14 6 0 3.10 1.10 14 6 0 3.80 1.00 -14 6 0 4.90 1.20 14 6 0 4.70 1.10 -15 -6 0 1.00 1.50 -15 -6 0 -2.60 1.70 15 6 0 -1.10 1.10 -15 6 0 1.00 1.30 15 6 0 1.20 1.10 -15 6 0 0.90 1.20 0 -7 0 -0.20 0.40 0 -7 0 -0.60 0.30 0 7 0 -0.90 0.50 0 7 0 -0.20 0.40 -1 -7 0 8.50 1.00 1 -7 0 8.20 0.90 1 -7 0 8.50 0.80 -1 -7 0 9.00 0.80 1 7 0 8.50 0.80 -1 7 0 8.70 0.90 1 7 0 8.20 1.00 -1 7 0 8.60 0.80 -2 -7 0 322.27 6.70 -2 -7 0 317.07 6.50 2 -7 0 320.87 6.30 2 -7 0 317.57 6.40 -2 7 0 319.27 6.50 2 7 0 319.17 6.50 -2 7 0 323.17 6.40 2 7 0 316.67 6.60 3 -7 0 252.57 5.00 -3 -7 0 249.08 5.20 -3 -7 0 248.18 5.40 3 -7 0 250.87 5.00 -3 7 0 222.18 5.20 3 7 0 253.57 5.40 3 7 0 249.58 5.30 -3 7 0 251.67 5.10 4 -7 0 125.39 2.70 -4 -7 0 122.99 3.30 4 -7 0 127.69 2.80 -4 -7 0 125.69 3.10 4 7 0 124.59 3.10 -4 7 0 125.89 2.90 -4 7 0 126.99 3.00 4 7 0 125.79 3.20 -5 -7 0 -0.40 0.50 5 -7 0 0.30 0.30 -5 -7 0 -0.30 0.60 5 -7 0 -0.20 0.30 5 7 0 -0.40 0.50 -5 7 0 0.20 0.40 5 7 0 -0.70 0.50 -5 7 0 -0.10 0.40 6 -7 0 -0.20 0.30 -6 -7 0 0.30 0.60 6 -7 0 -0.10 0.30 -6 -7 0 -0.20 0.60 -6 7 0 -0.30 0.40 -6 7 0 -0.50 0.40 6 7 0 0.00 0.60 6 7 0 -0.80 0.60 -7 -7 0 49.00 2.00 7 -7 0 49.00 1.20 -7 -7 0 49.00 2.20 7 -7 0 48.60 1.30 -7 7 0 50.49 1.70 -7 7 0 48.90 1.70 7 7 0 49.00 2.00 7 7 0 49.90 2.00 8 -7 0 19.30 0.60 -8 -7 0 22.90 1.60 8 -7 0 19.30 0.60 -8 -7 0 21.60 1.70 8 7 0 18.80 1.50 -8 7 0 19.20 1.30 -8 7 0 18.30 1.30 8 7 0 21.00 1.60 -9 -7 0 133.69 4.70 -9 -7 0 137.29 4.00 -9 7 0 131.59 3.40 9 7 0 140.59 3.70 -9 7 0 132.59 3.40 9 7 0 132.79 3.70 -10 -7 0 57.89 2.50 -10 -7 0 55.49 2.70 10 7 0 58.19 2.40 10 7 0 58.59 2.50 -10 7 0 56.29 2.10 -10 7 0 56.89 2.20 -11 -7 0 0.50 1.00 -11 -7 0 -0.70 1.00 11 7 0 1.20 0.90 -11 7 0 0.80 0.70 11 7 0 1.40 0.90 -11 7 0 0.30 0.80 -12 -7 0 8.10 1.40 -12 -7 0 9.30 1.50 12 7 0 9.20 1.20 12 7 0 9.30 1.20 -12 7 0 9.30 1.40 -12 7 0 7.80 1.00 -13 -7 0 35.50 3.00 -13 -7 0 40.80 2.80 13 7 0 31.10 3.00 -13 7 0 36.10 2.20 13 7 0 37.10 2.30 -13 7 0 42.10 2.40 -14 -7 0 9.00 1.80 -14 -7 0 11.80 1.80 -14 7 0 13.00 1.50 -14 7 0 10.80 1.40 14 7 0 12.30 1.40 -15 -7 0 8.80 1.80 -15 -7 0 2.90 1.90 15 7 0 4.50 1.30 -15 7 0 3.10 1.30 -15 7 0 5.70 1.50 0 -8 0 62.39 2.00 0 -8 0 66.99 1.90 0 8 0 63.79 2.10 0 8 0 63.29 1.90 1 -8 0 119.79 2.80 -1 -8 0 117.19 2.80 -1 -8 0 117.69 3.10 -1 8 0 116.89 3.00 1 8 0 112.69 3.00 1 8 0 119.19 2.90 -1 8 0 120.29 2.90 -2 -8 0 5.00 0.60 -2 -8 0 2.50 0.70 2 -8 0 4.80 0.60 2 -8 0 3.80 0.50 2 8 0 4.50 0.70 2 8 0 3.30 0.60 -2 8 0 4.20 0.70 -2 8 0 4.00 0.60 3 -8 0 4.70 0.50 3 -8 0 4.00 0.50 -3 -8 0 4.20 0.70 -3 -8 0 4.80 0.80 3 8 0 4.80 0.80 -3 8 0 4.10 0.60 3 8 0 2.70 0.60 -3 8 0 3.40 0.70 -4 -8 0 198.08 4.50 4 -8 0 198.68 4.10 -4 -8 0 198.58 4.70 4 -8 0 196.78 4.10 -4 8 0 198.38 4.50 -4 8 0 200.18 4.30 4 8 0 193.08 4.60 4 8 0 192.78 4.50 5 -8 0 98.19 2.30 -5 -8 0 100.39 3.00 5 -8 0 95.29 2.30 -5 -8 0 99.19 2.70 -5 8 0 97.19 2.60 5 8 0 99.09 2.80 5 8 0 99.69 2.90 -5 8 0 97.69 2.60 6 -8 0 -0.30 0.30 6 -8 0 0.90 0.40 -6 -8 0 -0.70 0.60 -6 -8 0 0.20 0.80 6 8 0 -0.70 0.70 6 8 0 -0.30 0.70 -6 8 0 0.30 0.60 -6 8 0 0.10 0.50 7 -8 0 128.69 2.70 -7 -8 0 132.79 3.50 7 -8 0 130.89 2.70 -7 -8 0 132.49 3.80 -7 8 0 129.29 3.20 -7 8 0 131.99 3.30 7 8 0 136.39 3.60 7 8 0 128.09 3.50 8 -8 0 0.50 0.20 -8 -8 0 0.10 0.80 8 -8 0 0.50 0.20 -8 -8 0 -0.20 0.90 8 8 0 -0.20 0.80 -8 8 0 0.20 0.60 -8 8 0 1.40 0.60 8 8 0 0.60 0.80 -9 -8 0 50.99 2.30 -9 -8 0 50.39 2.60 9 8 0 47.40 2.20 9 8 0 49.60 2.30 -9 8 0 46.00 2.00 -9 8 0 48.20 2.00 -10 -8 0 59.89 2.60 -10 -8 0 62.49 3.00 -10 8 0 60.29 2.30 10 8 0 62.99 2.60 -10 8 0 59.09 2.30 10 8 0 60.69 2.60 -11 -8 0 86.09 3.90 -11 -8 0 94.99 3.40 -11 8 0 98.19 3.10 11 8 0 96.59 3.30 -11 8 0 96.09 3.00 -12 -8 0 0.50 1.20 -12 -8 0 -1.10 1.30 12 8 0 0.60 1.00 -12 8 0 0.00 1.10 -12 8 0 -0.40 0.80 12 8 0 1.00 1.10 -13 -8 0 34.20 2.80 -13 -8 0 34.60 3.20 13 8 0 40.10 2.50 -13 8 0 34.80 2.20 -13 8 0 38.30 2.50 13 8 0 37.20 2.60 -14 -8 0 -3.10 1.70 -14 -8 0 0.00 1.50 14 8 0 0.80 1.20 -14 8 0 1.30 1.30 14 8 0 1.00 1.30 -15 -8 0 1.00 1.90 15 8 0 2.40 1.60 -15 8 0 2.40 1.50 -15 8 0 2.70 1.30 15 8 0 0.40 1.50 0 -9 0 -0.10 0.40 0 -9 0 0.00 0.60 0 9 0 0.30 0.50 0 9 0 -0.10 0.60 -1 -9 0 10.60 1.20 1 -9 0 11.00 1.10 1 -9 0 10.70 1.00 -1 -9 0 11.00 1.00 1 9 0 10.30 1.30 -1 9 0 11.00 1.20 1 9 0 9.50 1.00 -1 9 0 10.00 1.10 -2 -9 0 16.00 1.20 2 -9 0 14.30 1.10 -2 -9 0 13.90 1.40 2 -9 0 14.60 1.00 -2 9 0 13.40 1.30 2 9 0 13.60 1.20 -2 9 0 13.00 1.10 2 9 0 12.70 1.20 -3 -9 0 381.16 8.10 3 -9 0 369.56 7.50 -3 -9 0 379.36 7.80 3 -9 0 379.16 7.50 3 9 0 372.96 7.80 -3 9 0 381.96 7.70 -3 9 0 374.46 7.80 3 9 0 388.46 8.00 -4 -9 0 109.59 3.30 -4 -9 0 111.49 3.00 4 -9 0 106.79 2.60 4 -9 0 108.19 2.60 4 9 0 107.29 3.10 4 9 0 104.49 3.00 -4 9 0 108.79 3.00 -4 9 0 107.09 2.80 -5 -9 0 11.20 1.30 5 -9 0 14.50 0.90 -5 -9 0 10.40 1.20 5 -9 0 14.40 0.90 5 9 0 13.40 1.40 5 9 0 14.00 1.40 -5 9 0 13.40 1.20 6 -9 0 2.10 0.40 6 -9 0 1.30 0.40 -6 -9 0 1.60 0.70 -6 -9 0 1.80 0.90 6 9 0 2.10 0.80 -6 9 0 1.70 0.70 -6 9 0 1.70 0.70 6 9 0 3.10 0.80 7 -9 0 76.99 1.80 -7 -9 0 80.09 2.70 7 -9 0 77.09 1.80 -7 -9 0 75.19 2.90 -7 9 0 77.19 2.40 -7 9 0 77.59 2.50 7 9 0 79.19 2.80 7 9 0 77.69 2.70 -8 -9 0 42.10 2.20 -8 -9 0 41.90 2.40 8 -9 0 40.70 1.00 8 -9 0 41.10 1.00 -8 9 0 43.30 1.90 8 9 0 41.80 2.10 8 9 0 40.10 2.20 -8 9 0 40.80 1.90 -9 -9 0 25.50 2.20 -9 -9 0 31.60 2.10 -9 9 0 30.20 1.80 9 9 0 30.60 2.00 9 9 0 31.00 2.40 -9 9 0 28.70 1.70 -10 -9 0 21.20 2.10 10 9 0 17.20 1.90 -10 9 0 19.00 1.70 10 9 0 17.90 2.00 -10 9 0 21.10 1.70 -11 -9 0 2.60 1.20 -11 -9 0 2.60 1.30 11 9 0 1.80 1.00 -11 9 0 1.40 1.10 -11 9 0 2.20 0.90 11 9 0 2.90 1.20 -12 -9 0 0.20 1.40 -12 -9 0 0.40 1.30 -12 9 0 0.00 0.90 -12 9 0 1.10 1.00 12 9 0 1.60 1.30 12 9 0 0.40 1.10 -13 -9 0 72.69 3.50 -13 -9 0 69.19 4.00 13 9 0 63.49 3.20 -13 9 0 75.09 2.90 -13 9 0 69.79 3.10 -14 -9 0 -3.90 1.60 -14 9 0 2.00 1.30 14 9 0 0.90 1.40 -14 9 0 0.70 1.10 14 9 0 -0.40 1.30 0 -10 0 70.09 2.30 0 -10 0 71.99 2.20 0 10 0 72.69 2.30 0 10 0 66.79 2.40 -1 -10 0 22.90 1.60 -1 -10 0 25.10 1.40 1 -10 0 23.50 1.30 1 10 0 25.20 1.60 -1 10 0 22.90 1.60 -1 10 0 23.50 1.40 1 10 0 22.90 1.40 2 -10 0 1.60 0.50 -2 -10 0 1.10 0.80 -2 -10 0 1.40 0.70 2 -10 0 0.70 0.60 -2 10 0 1.70 0.80 2 10 0 0.80 0.70 2 10 0 0.00 0.70 -2 10 0 1.70 0.60 3 -10 0 0.80 0.50 -3 -10 0 -0.10 0.80 3 -10 0 1.90 0.50 -3 -10 0 0.60 0.70 3 10 0 1.60 0.80 3 10 0 0.40 0.60 -3 10 0 0.60 0.70 -3 10 0 1.00 0.60 -4 -10 0 5.70 1.00 4 -10 0 5.00 0.60 4 -10 0 7.20 0.90 -4 -10 0 5.30 0.80 -4 10 0 4.90 0.90 4 10 0 4.80 0.90 4 10 0 4.80 0.80 -4 10 0 5.40 0.80 -5 -10 0 209.68 4.90 -5 -10 0 205.58 5.20 5 -10 0 200.18 4.30 5 -10 0 200.98 4.30 5 10 0 205.08 4.90 -5 10 0 201.58 4.70 -5 10 0 202.28 4.90 5 10 0 205.78 5.00 6 -10 0 7.70 0.80 -6 -10 0 6.10 1.00 -6 -10 0 5.90 1.10 6 -10 0 7.40 0.80 -6 10 0 6.40 0.80 6 10 0 7.50 1.10 6 10 0 5.10 1.00 -7 -10 0 31.60 2.20 -7 -10 0 29.40 1.90 7 -10 0 29.70 1.10 7 -10 0 28.70 1.10 7 10 0 27.00 1.90 -7 10 0 30.40 1.70 7 10 0 29.50 2.00 8 -10 0 0.20 0.30 -8 -10 0 -0.20 0.90 8 -10 0 -0.20 0.30 -8 -10 0 0.00 1.10 -8 10 0 0.30 0.70 8 10 0 0.50 1.10 8 10 0 -0.10 0.80 -8 10 0 -0.30 0.80 -9 -10 0 1.80 1.00 -9 -10 0 1.50 1.80 9 10 0 1.40 0.90 -9 10 0 1.50 0.80 9 10 0 1.60 1.10 -9 10 0 2.60 0.90 -10 -10 0 10.30 1.40 -10 -10 0 10.60 1.60 -10 10 0 9.00 1.10 10 10 0 10.50 1.40 10 10 0 9.30 1.30 -10 10 0 8.50 1.20 -11 -10 0 166.18 5.30 -11 -10 0 163.38 4.80 11 10 0 140.99 4.50 -11 10 0 169.58 4.30 -11 10 0 168.48 4.60 -12 -10 0 -0.90 1.30 -12 -10 0 0.40 1.60 12 10 0 -1.70 1.10 -12 10 0 -1.30 1.10 12 10 0 -0.50 1.30 -12 10 0 0.70 0.90 -13 -10 0 45.90 3.20 -13 -10 0 49.10 3.90 13 10 0 45.40 2.90 -13 10 0 49.10 4.30 -13 10 0 51.19 3.00 -14 -10 0 0.70 2.00 -14 10 0 2.00 1.30 14 10 0 1.70 1.40 -14 10 0 1.90 1.40 0 -11 0 0.70 0.80 0 -11 0 -0.40 0.60 0 11 0 -1.30 0.60 0 11 0 0.00 0.80 -1 -11 0 5.90 1.00 1 -11 0 5.80 0.70 -1 -11 0 5.60 0.80 -1 11 0 6.80 1.00 1 11 0 4.30 0.90 -1 11 0 5.20 0.80 1 11 0 5.90 1.00 -2 -11 0 26.70 1.80 2 -11 0 30.00 1.40 2 -11 0 24.80 1.50 -2 -11 0 27.20 1.60 2 11 0 31.10 1.90 -2 11 0 28.70 1.90 -2 11 0 27.70 1.60 2 11 0 26.60 1.70 -3 -11 0 102.29 3.30 -3 -11 0 106.49 3.10 3 -11 0 106.49 2.70 3 -11 0 104.09 2.80 -3 11 0 104.49 3.20 -3 11 0 107.49 3.00 3 11 0 103.39 3.10 3 11 0 108.19 3.40 4 -11 0 17.30 1.20 4 -11 0 18.90 1.20 -4 -11 0 18.40 1.60 -4 -11 0 16.40 1.90 -4 11 0 18.10 1.60 4 11 0 20.80 1.90 4 11 0 17.20 1.60 -4 11 0 16.50 1.40 -5 -11 0 1.90 0.80 5 -11 0 0.80 0.50 5 -11 0 1.30 0.50 -5 -11 0 3.00 1.00 -5 11 0 1.40 0.90 5 11 0 2.00 0.90 -5 11 0 2.30 0.80 5 11 0 1.20 1.00 6 -11 0 7.90 0.90 6 -11 0 8.60 0.90 -6 -11 0 7.20 1.10 -6 -11 0 8.80 1.30 -6 11 0 7.90 1.20 -6 11 0 6.60 0.90 6 11 0 6.20 2.00 6 11 0 5.50 1.00 7 -11 0 16.80 0.90 -7 -11 0 14.60 2.00 7 -11 0 16.00 1.00 7 11 0 15.50 1.70 7 11 0 16.90 2.00 -7 11 0 16.30 1.50 8 -11 0 28.60 0.90 -8 -11 0 29.40 3.10 8 -11 0 28.30 0.90 8 11 0 28.70 2.10 -8 11 0 27.80 1.80 8 11 0 30.60 2.20 -9 -11 0 12.70 1.80 9 11 0 13.90 1.50 9 11 0 11.30 1.40 -9 11 0 13.10 1.60 -9 11 0 14.80 1.90 -10 -11 0 44.90 3.20 -10 -11 0 47.50 2.90 10 11 0 48.60 3.00 -10 11 0 51.29 2.40 -10 11 0 53.69 2.70 -11 -11 0 8.40 1.60 -11 -11 0 11.10 2.00 -11 11 0 13.90 1.60 -11 11 0 10.00 1.30 11 11 0 9.50 1.50 -12 -11 0 0.60 1.50 -12 -11 0 0.90 1.80 -12 11 0 1.00 1.30 12 11 0 0.50 1.80 12 11 0 -0.30 1.40 -12 11 0 1.60 1.00 -13 -11 0 3.10 1.70 -13 -11 0 8.90 2.30 -13 11 0 6.90 1.30 -13 11 0 7.10 1.60 13 11 0 5.80 1.60 13 11 0 4.40 1.80 0 -12 0 38.10 2.00 0 -12 0 41.30 1.80 0 12 0 37.20 2.20 0 12 0 39.10 2.00 -1 -12 0 -0.90 0.80 1 -12 0 -0.60 0.60 -1 -12 0 -0.70 0.70 -1 12 0 -1.20 0.70 -1 12 0 -0.60 0.90 1 12 0 -2.30 0.90 1 12 0 -1.10 0.70 -2 -12 0 4.20 1.10 -2 -12 0 2.60 0.80 2 -12 0 2.50 0.70 2 -12 0 1.90 0.80 2 12 0 2.90 1.10 -2 12 0 2.70 1.00 -2 12 0 3.40 0.90 2 12 0 0.80 0.80 3 -12 0 8.60 0.90 3 -12 0 10.90 1.20 -3 -12 0 7.10 1.20 -3 -12 0 9.50 1.10 3 12 0 6.90 1.10 -3 12 0 8.20 1.20 -3 12 0 7.90 1.00 3 12 0 7.70 1.30 4 -12 0 10.30 1.20 -4 -12 0 10.50 1.40 4 -12 0 9.40 0.90 4 12 0 6.70 1.10 4 12 0 6.40 2.00 -4 12 0 8.60 1.00 -4 12 0 8.60 1.20 5 -12 0 138.09 3.30 -5 -12 0 144.09 3.90 5 -12 0 134.69 3.30 -5 -12 0 142.89 4.30 5 12 0 142.69 4.20 5 12 0 137.59 4.00 -5 12 0 141.19 3.70 -5 12 0 139.39 4.00 6 -12 0 0.80 0.50 6 -12 0 0.70 0.50 -6 -12 0 1.40 1.10 6 12 0 1.50 0.90 -6 12 0 0.80 0.80 -6 12 0 1.00 1.00 6 12 0 1.30 1.10 -7 -12 0 7.00 2.20 7 -12 0 8.90 0.90 7 -12 0 8.20 0.90 7 12 0 6.70 1.20 -7 12 0 7.50 1.20 -7 12 0 8.70 1.10 7 12 0 8.80 1.40 8 -12 0 3.50 0.40 -8 -12 0 4.30 1.40 8 -12 0 4.30 0.40 -8 12 0 4.80 1.00 -9 -12 0 4.00 1.50 -9 12 0 3.20 1.00 9 12 0 5.00 1.20 -10 -12 0 0.80 1.60 -10 -12 0 0.70 1.30 10 12 0 0.80 1.20 -10 12 0 1.00 1.00 -11 -12 0 29.20 3.50 -11 -12 0 26.90 2.80 -11 12 0 27.30 2.70 11 12 0 27.30 2.80 -11 12 0 25.30 2.20 11 12 0 22.90 2.70 -12 -12 0 -0.10 1.60 -12 -12 0 -4.90 1.90 12 12 0 -2.00 1.30 -12 12 0 0.10 1.20 -12 12 0 -0.50 1.40 12 12 0 -0.10 1.60 -13 -12 0 2.50 2.30 13 12 0 2.10 1.90 -13 12 0 5.00 1.40 13 12 0 3.20 1.60 -13 12 0 3.70 1.70 0 -13 0 -1.30 0.80 0 -13 0 -2.70 1.10 0 13 0 -2.10 0.80 0 13 0 -1.10 1.30 1 -13 0 13.50 1.50 -1 -13 0 12.70 1.60 -1 -13 0 9.70 1.30 -1 13 0 11.80 1.40 1 13 0 11.00 1.30 -1 13 0 12.60 1.70 -2 -13 0 -0.80 1.00 2 -13 0 -1.10 0.70 2 -13 0 0.30 0.70 -2 -13 0 -1.90 0.80 -2 13 0 0.10 0.90 -2 13 0 -1.20 1.00 2 13 0 -1.30 1.10 2 13 0 -1.70 0.90 3 -13 0 146.19 3.60 -3 -13 0 138.49 4.30 -3 -13 0 134.49 4.30 3 -13 0 146.89 3.70 3 13 0 139.89 4.10 -3 13 0 141.09 3.90 -3 13 0 144.69 4.30 -4 -13 0 34.80 2.10 4 -13 0 32.30 1.60 -4 -13 0 33.30 2.40 4 -13 0 32.90 1.70 -4 13 0 32.20 2.00 -4 13 0 37.70 2.30 4 13 0 27.10 2.90 4 13 0 32.20 2.10 5 -13 0 14.30 1.30 -5 -13 0 17.30 1.90 -5 -13 0 19.10 2.30 5 -13 0 15.00 1.30 -5 13 0 11.60 1.60 5 13 0 17.10 1.80 5 13 0 15.60 2.00 -5 13 0 15.90 1.70 6 -13 0 1.80 0.60 6 -13 0 1.10 0.60 -6 13 0 1.60 0.80 6 13 0 0.30 1.50 6 13 0 -0.40 1.00 7 -13 0 7.00 0.70 -7 -13 0 8.80 1.60 7 -13 0 8.30 1.00 -7 13 0 7.10 1.40 7 13 0 7.00 1.30 -7 13 0 7.10 1.00 -8 -13 0 23.50 2.70 8 -13 0 20.70 0.90 8 -13 0 22.10 0.90 8 13 0 21.30 2.30 -8 13 0 22.80 2.40 -8 13 0 20.90 1.90 -9 -13 0 35.40 3.10 9 13 0 34.80 2.90 9 13 0 33.10 2.70 -9 13 0 34.10 2.20 -9 13 0 32.00 2.80 -10 -13 0 13.30 1.80 -10 -13 0 9.90 2.10 -10 13 0 9.20 1.30 10 13 0 11.20 1.80 10 13 0 8.30 1.70 -10 13 0 6.40 1.60 -11 -13 0 1.20 1.90 -11 -13 0 0.70 1.60 -11 13 0 3.90 1.50 11 13 0 2.20 1.50 11 13 0 1.70 1.70 -12 -13 0 -2.60 2.00 12 13 0 1.30 1.50 12 13 0 -2.90 1.80 -12 13 0 -0.20 1.20 0 -14 0 2.70 0.90 0 14 0 2.00 1.30 0 14 0 2.20 1.00 1 -14 0 120.89 3.40 -1 -14 0 107.89 3.90 -1 -14 0 116.69 3.90 1 14 0 116.69 3.70 -1 14 0 122.89 3.70 -1 14 0 121.99 4.00 1 14 0 116.29 4.10 -2 -14 0 10.60 1.50 -2 -14 0 10.40 1.30 2 -14 0 9.70 1.10 2 -14 0 13.60 1.50 -2 14 0 11.20 1.30 -2 14 0 11.00 1.40 2 14 0 10.80 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4 344.27 7.10 -5 3 -4 352.86 7.10 -6 -3 -4 21.60 1.40 -6 -3 -4 19.90 1.20 6 -3 4 20.00 1.20 6 -3 4 18.90 1.10 6 3 4 20.00 1.20 6 3 4 20.40 1.30 -6 3 -4 18.90 1.20 -6 3 -4 19.50 1.20 7 -3 4 90.89 2.50 -7 -3 -4 89.99 2.80 -7 -3 -4 95.19 2.70 7 -3 4 92.79 2.50 7 3 4 94.29 2.60 7 3 4 93.69 2.70 -7 3 -4 90.19 2.60 -7 3 -4 92.89 2.60 -8 -3 -4 46.00 2.00 -8 -3 -4 44.80 2.10 8 -3 4 45.70 1.70 8 -3 4 46.40 1.80 8 3 4 49.80 2.00 8 3 4 47.20 1.90 -8 3 -4 47.20 1.90 -8 3 -4 46.20 1.90 -9 -3 -4 7.50 1.00 -9 -3 -4 8.20 1.00 9 -3 4 9.30 1.20 9 -3 4 7.30 0.80 -9 3 -4 7.30 0.90 9 3 4 7.10 0.90 -9 3 -4 8.80 1.00 9 3 4 6.70 0.90 10 -3 4 58.69 2.20 10 -3 4 59.39 2.10 -10 -3 -4 54.59 2.50 -10 -3 -4 54.39 2.60 10 3 4 57.29 2.40 -10 3 -4 58.59 2.40 10 3 4 58.79 2.30 -10 3 -4 56.59 2.70 -11 -3 -4 24.70 2.10 11 -3 4 26.40 1.70 -11 -3 -4 26.60 2.20 11 -3 4 28.30 1.60 -11 3 -4 29.50 2.10 11 3 4 27.10 2.00 -11 3 -4 30.10 2.00 11 3 4 24.40 1.90 -12 -3 -4 151.68 4.40 -12 -3 -4 148.49 4.60 12 -3 4 149.49 3.80 12 -3 4 152.48 3.90 12 3 4 148.99 4.10 12 3 4 159.38 4.70 -12 3 -4 152.68 4.50 -12 3 -4 152.98 4.40 13 -3 4 33.00 1.80 13 -3 4 34.60 2.00 -13 -3 -4 34.10 2.80 -13 -3 -4 36.20 2.70 13 3 4 28.20 2.20 13 3 4 33.40 2.70 -13 3 -4 34.40 2.40 -13 3 -4 37.00 2.60 14 -3 4 6.10 0.90 14 -3 4 5.30 1.00 -14 -3 -4 2.20 1.50 -14 -3 -4 4.20 1.60 -14 3 -4 7.50 1.60 14 3 4 4.20 1.20 14 3 4 4.60 1.30 -14 3 -4 3.50 1.30 15 -3 4 0.20 0.90 15 -3 4 0.50 0.80 -15 -3 -4 -1.10 1.70 -15 -3 -4 -0.80 1.70 15 3 4 -0.40 1.30 15 3 4 0.60 1.40 -15 3 -4 -0.90 1.40 -15 3 -4 -2.80 1.50 -16 -4 4 10.20 1.70 -16 -4 4 8.50 1.80 -16 4 4 9.90 1.40 -16 4 4 9.50 1.40 -15 -4 4 7.60 1.40 -15 -4 4 8.20 1.50 -15 4 4 9.30 1.20 -14 -4 4 59.89 3.00 -14 -4 4 57.89 2.70 -14 4 4 61.89 2.30 -14 4 4 58.69 2.30 -13 -4 4 102.99 3.30 -13 -4 4 101.89 3.60 -13 4 4 102.09 2.90 -13 4 4 105.39 2.90 -12 -4 4 0.00 0.80 -12 -4 4 -0.10 0.90 12 4 -4 0.50 0.40 12 4 -4 0.30 0.40 -12 4 4 -0.50 0.60 -12 4 4 1.00 0.60 -11 -4 4 4.30 0.80 -11 -4 4 3.40 0.90 -11 4 4 4.30 0.60 11 4 -4 3.50 0.50 11 4 -4 4.10 0.50 -11 4 4 3.80 0.60 -10 -4 4 7.70 0.90 -10 -4 4 8.60 1.00 10 4 -4 9.90 0.90 -10 4 4 11.20 0.90 10 4 -4 8.50 0.90 -10 4 4 10.40 0.90 -9 -4 4 4.60 0.80 -9 -4 4 4.30 0.80 -9 4 4 5.50 0.70 9 4 -4 4.50 0.60 -9 4 4 5.10 0.70 9 4 -4 5.10 0.60 -8 -4 4 124.39 3.30 -8 -4 4 130.59 3.10 -8 4 4 128.69 2.70 8 4 -4 128.99 2.90 -8 4 4 128.99 2.70 8 4 -4 131.09 2.90 -7 -4 4 31.40 1.40 -7 -4 4 31.50 1.30 -7 4 4 31.10 0.80 7 4 -4 31.60 1.20 -7 4 4 31.60 0.80 7 4 -4 31.60 1.20 -6 -4 4 2.00 0.50 -6 -4 4 2.30 0.50 6 4 -4 2.80 0.50 6 4 -4 2.60 0.40 -6 4 4 3.20 0.30 -5 -4 4 7.70 0.90 -5 -4 4 9.10 0.80 5 4 -4 9.60 0.70 5 4 -4 10.00 0.80 -4 -4 4 132.69 3.10 -4 -4 4 133.59 3.00 4 4 -4 129.99 2.90 4 4 -4 135.99 3.00 -3 -4 4 50.89 1.60 -3 -4 4 52.29 1.50 -3 4 4 52.19 1.20 3 4 -4 51.19 1.40 3 4 -4 50.79 1.50 -3 4 4 52.59 1.10 -2 -4 4 556.94 10.70 -2 -4 4 565.94 10.60 2 4 -4 573.14 10.70 -2 4 4 536.45 10.40 2 4 -4 562.64 10.60 -2 4 4 548.25 10.30 -1 -4 4 48.70 1.40 1 -4 -4 47.90 1.20 -1 -4 4 46.50 1.50 1 -4 -4 50.69 1.20 -1 4 4 49.40 1.30 1 4 -4 49.50 1.40 1 4 -4 49.50 1.50 -1 4 4 49.40 1.20 0 -4 -4 242.28 4.90 0 -4 4 244.58 5.00 0 -4 4 241.68 5.00 0 -4 -4 236.48 4.80 0 4 4 247.48 4.80 0 4 -4 250.37 5.00 0 4 4 244.28 4.90 0 4 -4 241.28 4.90 -1 -4 -4 94.59 2.20 1 -4 4 93.19 2.30 -1 -4 -4 95.79 2.30 1 -4 4 94.99 2.30 -1 4 -4 96.99 2.30 1 4 4 95.29 2.20 -1 4 -4 92.79 2.40 1 4 4 94.29 2.30 -2 -4 -4 277.97 5.80 2 -4 4 288.67 5.80 2 -4 4 289.27 5.80 -2 -4 -4 286.47 5.70 2 4 4 285.97 5.80 -2 4 -4 283.77 5.80 2 4 4 288.97 5.80 -2 4 -4 287.37 5.80 3 -4 4 990.80 18.40 3 -4 4 977.60 18.40 -3 -4 -4 983.60 18.50 -3 -4 -4 998.30 18.40 -3 4 -4 965.30 18.40 3 4 4 977.00 18.50 3 4 4 986.40 18.50 -3 4 -4 990.00 18.50 -4 -4 -4 13.60 1.10 4 -4 4 13.50 1.00 4 -4 4 13.10 0.90 -4 -4 -4 13.30 1.00 4 4 4 13.80 1.10 -4 4 -4 12.00 1.00 4 4 4 13.70 1.00 -4 4 -4 12.00 1.00 5 -4 4 233.38 4.90 5 -4 4 228.48 4.90 -5 -4 -4 230.48 5.00 -5 -4 -4 235.08 5.20 5 4 4 231.38 5.10 -5 4 -4 235.28 5.00 -5 4 -4 226.68 5.00 5 4 4 229.48 5.00 -6 -4 -4 -0.10 0.60 6 -4 4 0.10 0.50 -6 -4 -4 0.70 0.60 6 -4 4 -0.30 0.40 -6 4 -4 -0.30 0.50 6 4 4 -0.10 0.50 -6 4 -4 0.20 0.50 6 4 4 0.50 0.60 7 -4 4 1.50 0.60 7 -4 4 2.10 0.50 -7 -4 -4 2.40 0.70 -7 -4 -4 2.30 0.70 7 4 4 2.70 0.70 7 4 4 2.90 0.80 -7 4 -4 1.90 0.70 -7 4 -4 2.40 0.70 8 -4 4 71.69 2.20 -8 -4 -4 73.49 2.50 8 -4 4 71.59 2.30 -8 -4 -4 69.29 2.60 -8 4 -4 74.09 2.40 8 4 4 71.99 2.50 8 4 4 74.79 2.40 -8 4 -4 75.69 2.40 -9 -4 -4 46.60 2.30 9 -4 4 48.10 1.80 9 -4 4 46.30 1.90 9 4 4 46.00 2.10 9 4 4 48.40 2.20 -9 4 -4 48.50 2.10 -9 4 -4 48.30 2.10 10 -4 4 185.18 4.40 -10 -4 -4 190.58 4.80 -10 -4 -4 185.78 5.00 10 -4 4 183.88 4.30 10 4 4 187.58 4.70 -10 4 -4 183.38 4.70 10 4 4 185.88 4.70 11 -4 4 36.20 1.90 11 -4 4 36.30 1.70 -11 -4 -4 38.80 2.40 -11 4 -4 37.00 2.20 11 4 4 33.40 2.10 11 4 4 33.90 2.70 -11 4 -4 40.00 2.20 -12 -4 -4 1.60 1.20 12 -4 4 1.40 0.80 -12 -4 -4 3.10 1.30 12 -4 4 2.40 0.70 12 4 4 2.20 1.00 -12 4 -4 1.00 1.10 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118.79 2.90 -11 5 4 119.39 2.90 -10 -5 4 3.40 0.80 -10 -5 4 2.90 0.90 10 5 -4 4.10 0.60 -10 5 4 4.10 0.50 10 5 -4 3.10 0.60 -10 5 4 4.20 0.50 -9 -5 4 6.10 0.80 -9 -5 4 6.50 1.00 -9 5 4 7.70 0.80 -9 5 4 9.10 0.80 9 5 -4 9.90 1.10 9 5 -4 7.60 1.00 -8 -5 4 26.90 1.40 -8 -5 4 24.70 1.50 8 5 -4 25.70 1.20 -8 5 4 26.80 0.90 -8 5 4 26.30 0.90 8 5 -4 28.30 1.30 -7 -5 4 24.80 1.40 -7 -5 4 26.20 1.30 -7 5 4 24.40 0.80 7 5 -4 26.00 1.20 7 5 -4 23.50 1.20 -7 5 4 25.80 0.80 -6 -5 4 17.90 1.10 -6 -5 4 16.20 1.20 -6 5 4 17.20 0.60 -6 5 4 17.30 0.60 6 5 -4 15.80 1.00 6 5 -4 19.00 1.10 -5 -5 4 61.59 2.00 -5 -5 4 61.89 1.90 -5 5 4 61.19 1.30 5 5 -4 60.49 1.80 5 5 -4 60.59 1.80 -5 5 4 62.49 1.30 -4 -5 4 46.20 1.50 -4 -5 4 45.90 1.70 4 5 -4 49.10 1.60 -4 5 4 47.50 1.10 4 5 -4 45.80 1.50 -3 -5 4 141.09 3.20 -3 -5 4 138.79 3.30 -3 5 4 140.19 2.90 -3 5 4 140.69 2.80 3 5 -4 142.39 3.20 3 5 -4 143.39 3.30 -2 -5 4 168.68 3.70 2 -5 -4 169.68 3.30 -2 -5 4 168.28 3.80 2 5 -4 169.08 3.80 -2 5 4 168.68 3.50 2 5 -4 170.78 3.70 -2 5 4 170.58 3.40 1 -5 -4 12.30 0.60 1 -5 -4 9.90 0.60 -1 -5 4 11.00 0.80 -1 -5 4 11.90 0.90 1 5 -4 10.50 0.90 -1 5 4 11.80 0.60 -1 5 4 10.50 0.70 1 5 -4 11.30 0.80 0 -5 4 436.56 8.50 0 -5 -4 429.96 8.40 0 -5 4 443.46 8.50 0 -5 -4 426.16 8.30 0 5 -4 432.06 8.60 0 5 4 431.66 8.40 0 5 -4 435.46 8.50 0 5 4 433.06 8.30 -1 -5 -4 69.69 1.90 1 -5 4 69.59 1.90 -1 -5 -4 68.09 1.80 1 -5 4 67.69 1.90 -1 5 -4 66.49 2.00 1 5 4 69.49 1.80 -1 5 -4 69.59 1.90 1 5 4 71.49 1.90 2 -5 4 36.30 1.30 -2 -5 -4 37.20 1.40 -2 -5 -4 38.50 1.30 2 -5 4 37.00 1.40 -2 5 -4 38.30 1.40 2 5 4 37.70 1.40 2 5 4 37.50 1.30 -2 5 -4 36.30 1.40 3 -5 4 2.50 0.50 -3 -5 -4 3.60 0.60 3 -5 4 2.30 0.50 -3 -5 -4 3.00 0.50 3 5 4 2.40 0.60 -3 5 -4 2.60 0.60 3 5 4 3.60 0.60 -3 5 -4 2.20 0.50 -4 -5 -4 41.30 1.70 4 -5 4 41.10 1.50 4 -5 4 40.40 1.50 -4 -5 -4 41.70 1.50 -4 5 -4 41.90 1.50 4 5 4 41.50 1.60 -4 5 -4 41.50 1.60 4 5 4 43.40 1.60 -5 -5 -4 114.29 3.10 5 -5 4 115.39 2.80 5 -5 4 116.49 2.90 -5 -5 -4 117.19 3.00 -5 5 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4 141.39 3.30 10 7 -4 147.09 3.60 -9 -7 4 1.60 1.00 -9 -7 4 1.90 0.90 9 7 -4 1.80 0.70 9 7 -4 2.30 0.70 -9 7 4 2.80 0.50 -9 7 4 2.40 0.50 -8 -7 4 0.50 0.80 -8 -7 4 2.10 0.80 -8 7 4 1.90 0.50 8 7 -4 1.90 0.70 8 7 -4 2.80 0.70 -8 7 4 2.00 0.50 -7 -7 4 8.40 1.10 -7 -7 4 6.60 0.80 7 7 -4 8.30 1.10 -7 7 4 8.50 0.70 7 7 -4 9.30 1.20 -7 7 4 9.00 0.80 -6 -7 4 23.00 1.60 -6 -7 4 23.20 1.40 6 7 -4 23.00 1.40 -6 7 4 22.60 1.00 6 7 -4 23.20 1.40 -6 7 4 22.50 0.90 -5 -7 4 360.16 7.70 -5 -7 4 370.46 7.50 5 7 -4 371.76 7.60 -5 7 4 361.36 7.10 5 7 -4 363.46 7.50 -4 -7 4 0.20 0.50 -4 -7 4 -0.20 0.60 -4 7 4 0.40 0.30 4 7 -4 0.40 0.60 4 7 -4 0.00 0.50 -4 7 4 0.30 0.40 -3 -7 4 182.78 4.10 -3 -7 4 177.38 4.30 3 -7 -4 177.88 3.50 3 -7 -4 177.68 3.50 -3 7 4 179.08 3.70 3 7 -4 184.38 4.20 -3 7 4 182.58 3.90 3 7 -4 180.58 4.10 -2 -7 4 38.00 1.70 2 -7 -4 39.30 1.10 -2 -7 4 42.10 1.50 -2 7 4 39.20 1.50 2 7 -4 41.70 1.70 2 7 -4 41.50 1.60 -2 7 4 39.10 1.30 1 -7 -4 61.79 1.60 -1 -7 4 61.39 2.00 1 -7 -4 57.19 1.70 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3.00 1.80 15 9 -4 4.00 1.10 -15 9 4 2.90 1.10 -15 9 4 2.00 1.30 15 9 -4 3.20 1.20 -14 -9 4 -0.10 1.70 -14 -9 4 1.60 1.40 -14 9 4 -0.50 0.90 14 9 -4 -0.90 1.10 -14 9 4 1.70 1.70 14 9 -4 0.30 1.00 -13 -9 4 2.60 1.60 -13 -9 4 -1.30 1.30 -13 9 4 1.20 0.80 13 9 -4 3.40 1.00 13 9 -4 -0.10 1.10 -13 9 4 1.90 0.90 -12 -9 4 -0.40 1.20 -12 -9 4 -0.30 1.30 12 9 -4 -1.00 1.00 -12 9 4 0.50 0.70 12 9 -4 0.90 0.90 -12 9 4 0.40 0.80 -11 -9 4 7.70 1.30 -11 -9 4 9.60 2.40 11 9 -4 7.80 1.10 -11 9 4 7.70 0.90 11 9 -4 8.70 1.10 -11 9 4 7.60 0.90 -10 -9 4 46.80 2.40 -10 -9 4 43.00 2.60 -10 9 4 42.80 1.70 10 9 -4 44.10 2.20 -10 9 4 42.50 1.80 10 9 -4 44.70 2.20 -9 -9 4 2.90 1.10 -9 -9 4 2.20 1.00 9 9 -4 1.10 0.80 9 9 -4 2.00 0.90 -9 9 4 1.80 0.60 -9 9 4 2.30 0.70 -8 -9 4 18.70 2.00 -8 9 4 16.80 1.20 8 9 -4 16.60 1.60 -8 9 4 17.10 1.30 8 9 -4 17.80 1.70 -7 -9 4 15.20 1.60 -7 -9 4 15.00 1.80 7 9 -4 14.90 1.50 -7 9 4 14.30 1.10 7 9 -4 16.30 1.60 -6 -9 4 1.60 1.00 -6 -9 4 1.40 0.80 -6 9 4 1.00 0.60 6 9 -4 1.70 0.80 6 9 -4 0.90 0.70 -6 9 4 1.00 0.50 -5 -9 4 29.50 1.90 -5 -9 4 28.40 1.70 -5 9 4 27.90 1.40 5 9 -4 30.10 1.80 5 9 -4 27.80 1.60 -5 9 4 29.10 1.30 -4 -9 4 22.00 1.70 -4 -9 4 21.50 1.50 4 -9 -4 22.50 0.60 4 -9 -4 23.00 0.60 4 9 -4 22.10 1.60 -4 9 4 22.20 1.20 4 9 -4 20.60 1.50 -4 9 4 23.90 1.30 -3 -9 4 2.70 0.70 -3 -9 4 3.10 0.90 3 -9 -4 2.70 0.40 3 -9 -4 3.50 0.40 -3 9 4 3.40 0.60 -3 9 4 3.30 0.70 3 9 -4 4.10 0.90 3 9 -4 3.30 0.70 -2 -9 4 24.60 1.60 -2 -9 4 25.10 1.50 2 -9 -4 24.70 1.00 -2 9 4 24.30 1.20 2 9 -4 25.00 1.70 -2 9 4 25.40 1.50 2 9 -4 24.40 1.50 1 -9 -4 177.58 3.70 -1 -9 4 175.88 4.10 1 -9 -4 171.38 3.90 -1 -9 4 154.88 4.20 1 9 -4 173.08 4.30 -1 9 4 172.88 3.90 1 9 -4 176.28 4.10 -1 9 4 170.48 4.10 0 -9 -4 15.10 1.20 0 -9 4 12.80 1.20 0 -9 -4 16.30 1.00 0 9 -4 14.10 1.50 0 9 4 16.70 1.20 0 9 -4 14.90 1.30 0 9 4 15.80 1.30 1 -9 4 45.40 1.80 -1 -9 -4 44.80 1.90 -1 -9 -4 47.00 1.60 1 -9 4 44.10 1.90 1 9 4 44.20 1.90 -1 9 -4 44.60 2.00 -1 9 -4 41.40 1.80 1 9 4 45.00 1.70 -2 -9 -4 0.10 0.50 2 -9 4 -0.90 0.50 2 -9 4 -0.50 0.60 -2 -9 -4 -0.70 0.60 2 9 4 0.20 0.70 -2 9 -4 0.00 0.70 2 9 4 -0.70 0.50 -2 9 -4 -0.40 0.60 -3 -9 -4 17.10 1.30 3 -9 4 16.00 1.30 3 -9 4 13.80 1.30 -3 -9 -4 16.20 1.50 -3 9 -4 15.20 1.30 3 9 4 17.00 1.50 3 9 4 17.60 1.30 -3 9 -4 13.30 1.60 -4 -9 -4 1.20 0.80 4 -9 4 1.30 0.60 4 -9 4 2.00 0.70 -4 -9 -4 0.90 0.70 4 9 4 1.50 0.80 4 9 4 1.70 0.70 -4 9 -4 1.50 0.70 5 -9 4 23.70 1.40 -5 -9 -4 25.80 1.70 -5 -9 -4 24.30 1.90 5 -9 4 25.40 1.50 -5 9 -4 23.00 1.60 -5 9 -4 24.70 1.80 5 9 4 22.50 1.80 5 9 4 20.20 1.60 -6 -9 -4 4.60 1.10 -6 -9 -4 5.30 1.10 6 -9 4 3.70 0.70 6 -9 4 4.90 0.80 -6 9 -4 4.50 0.90 6 9 4 2.60 0.80 6 9 4 3.50 1.00 -6 9 -4 3.40 0.90 7 -9 4 89.49 2.70 7 -9 4 89.89 2.60 -7 -9 -4 96.19 3.40 7 9 4 93.39 3.10 -7 9 -4 94.39 3.20 7 9 4 94.39 3.20 -7 9 -4 92.69 2.90 8 -9 4 34.40 1.60 -8 -9 -4 39.20 2.40 8 -9 4 34.30 1.80 8 9 4 39.40 2.40 -8 9 -4 37.40 2.10 -8 9 -4 29.00 2.70 8 9 4 37.60 2.20 -9 -9 -4 0.70 1.10 9 -9 4 -0.30 0.60 9 -9 4 -0.50 0.70 -9 9 -4 -1.10 1.00 -9 9 -4 -0.90 0.80 9 9 4 -0.90 1.00 9 9 4 0.00 1.00 10 -9 4 1.20 0.60 -10 -9 -4 0.60 1.30 -10 -9 -4 1.10 1.20 10 -9 4 1.00 0.80 10 9 4 -0.80 1.00 -10 9 -4 -0.20 1.00 -10 9 -4 1.40 1.00 11 -9 4 -0.80 0.60 -11 -9 -4 -0.40 1.30 11 -9 4 0.50 0.80 -11 -9 -4 -3.70 1.40 -11 9 -4 0.70 1.00 11 9 4 -0.70 1.20 -11 9 -4 -0.90 1.20 12 -9 4 4.60 0.70 12 -9 4 4.80 0.90 -12 -9 -4 6.40 2.00 -12 -9 -4 3.90 1.60 -12 9 -4 4.50 1.30 12 9 4 1.50 1.50 12 9 4 3.70 1.40 -12 9 -4 3.90 1.50 13 -9 4 29.10 1.20 -13 -9 -4 34.20 3.80 -13 -9 -4 30.60 3.20 13 -9 4 31.20 1.30 13 9 4 31.20 3.00 13 9 4 34.40 3.40 -13 9 -4 31.30 3.20 -13 9 -4 32.20 2.80 -14 -10 4 1.20 2.00 -14 -10 4 -0.60 1.60 -14 10 4 1.20 1.00 14 10 -4 1.50 1.20 -14 10 4 0.60 1.20 -13 -10 4 18.70 2.40 -13 -10 4 18.60 1.90 -13 10 4 26.50 2.10 -13 10 4 26.60 1.80 13 10 -4 21.40 2.70 13 10 -4 26.10 2.20 -12 -10 4 1.50 1.30 -12 -10 4 1.00 1.60 12 10 -4 3.20 1.10 -12 10 4 2.70 0.90 -12 10 4 2.30 0.90 -11 -10 4 0.20 1.40 -11 -10 4 0.80 1.20 -11 10 4 0.90 0.80 11 10 -4 1.80 1.00 -11 10 4 1.20 0.70 -10 -10 4 5.80 1.30 -10 -10 4 1.40 2.30 -10 10 4 4.90 0.80 10 10 -4 2.80 1.10 10 10 -4 3.30 1.00 -10 10 4 5.20 0.90 -9 -10 4 220.38 5.90 -9 -10 4 226.08 5.60 -9 10 4 211.88 4.90 9 10 -4 224.58 5.40 9 10 -4 229.38 5.40 -8 -10 4 3.70 1.10 -8 -10 4 4.70 1.20 -8 10 4 3.80 0.70 -8 10 4 1.60 0.80 8 10 -4 3.80 1.00 8 10 -4 3.20 0.90 -7 -10 4 108.69 3.70 -7 -10 4 110.89 3.70 7 10 -4 111.79 3.30 -7 10 4 106.19 2.80 7 10 -4 113.49 3.40 -7 10 4 106.59 3.00 -6 -10 4 2.00 1.10 -6 -10 4 1.90 0.90 -6 10 4 0.10 0.50 6 10 -4 2.10 0.90 6 10 -4 1.60 0.90 -6 10 4 1.20 0.70 -5 -10 4 -0.10 0.80 -5 -10 4 -0.40 0.80 5 10 -4 0.10 0.80 5 10 -4 -0.50 0.70 -5 10 4 -0.20 0.60 -5 10 4 -1.00 0.50 -4 -10 4 -1.00 0.80 -4 -10 4 -0.30 0.70 4 -10 -4 -0.30 0.30 4 -10 -4 -0.50 0.30 4 10 -4 -1.00 0.80 4 10 -4 -1.20 0.70 -4 10 4 -0.10 0.60 -4 10 4 -1.10 0.50 3 -10 -4 125.99 2.90 -3 -10 4 127.39 3.60 3 -10 -4 128.09 2.80 -3 -10 4 129.79 3.50 3 10 -4 128.19 3.70 -3 10 4 128.49 3.40 3 10 -4 130.19 3.50 -3 10 4 128.29 3.20 2 -10 -4 37.60 1.30 -2 -10 4 38.40 1.80 -2 -10 4 37.40 2.00 -2 10 4 37.70 1.80 -2 10 4 37.20 1.60 2 10 -4 37.60 2.00 2 10 -4 37.70 1.80 1 -10 -4 23.50 1.40 -1 -10 4 23.70 1.80 1 -10 -4 26.90 1.20 -1 -10 4 22.40 1.50 -1 10 4 24.60 1.60 1 10 -4 26.80 1.80 1 10 -4 24.10 1.60 -1 10 4 24.00 1.40 0 -10 4 -0.20 0.70 0 -10 -4 0.90 0.70 0 -10 -4 0.50 0.50 0 10 -4 0.00 0.70 0 10 -4 -0.30 0.80 0 10 4 1.20 0.70 0 10 4 1.10 0.60 -1 -10 -4 21.00 1.30 1 -10 4 20.10 1.50 -1 -10 -4 19.40 1.60 1 -10 4 18.10 1.50 1 10 4 21.80 1.60 -1 10 -4 21.50 1.80 -1 10 -4 19.30 1.50 1 10 4 20.20 1.40 -2 -10 -4 1.60 0.80 2 -10 4 1.20 0.70 2 -10 4 2.30 0.80 -2 -10 -4 1.60 0.60 -2 10 -4 1.30 0.90 2 10 4 2.10 0.70 2 10 4 1.30 0.80 -2 10 -4 1.70 0.80 -3 -10 -4 63.99 2.50 -3 -10 -4 68.29 2.30 3 -10 4 64.29 2.30 3 -10 4 66.99 2.30 3 10 4 65.89 2.50 -3 10 -4 66.89 2.60 3 10 4 66.89 2.40 -3 10 -4 62.89 2.30 4 -10 4 17.40 1.40 4 -10 4 19.90 1.50 -4 -10 -4 18.20 1.50 -4 -10 -4 17.40 1.80 -4 10 -4 18.60 1.90 4 10 4 19.80 1.70 -4 10 -4 17.50 1.60 4 10 4 17.10 1.50 5 -10 4 37.80 1.80 5 -10 4 38.50 1.70 -5 -10 -4 36.80 2.30 -5 -10 -4 33.30 1.90 5 10 4 34.80 2.40 -5 10 -4 39.00 1.90 5 10 4 35.40 2.00 -6 -10 -4 4.50 1.00 6 -10 4 5.20 0.90 6 -10 4 6.10 0.80 -6 -10 -4 3.50 1.10 6 10 4 3.30 1.00 6 10 4 5.00 1.10 -6 10 -4 4.70 1.10 -6 10 -4 5.60 1.00 7 -10 4 4.80 0.90 -7 -10 -4 4.20 1.20 7 -10 4 3.20 0.70 7 10 4 5.50 1.00 7 10 4 5.90 1.20 -7 10 -4 4.00 1.80 -7 10 -4 3.50 0.90 -8 -10 -4 40.30 2.90 8 -10 4 42.80 1.80 8 -10 4 40.40 2.00 8 10 4 46.40 2.80 -8 10 -4 40.50 2.50 -8 10 -4 43.40 2.20 9 -10 4 0.20 0.60 -9 -10 -4 -0.30 1.30 9 -10 4 -0.70 0.80 9 10 4 -2.00 1.00 -9 10 -4 -0.10 0.90 -9 10 -4 -1.60 1.10 10 -10 4 7.70 0.80 -10 -10 -4 3.20 1.40 -10 -10 -4 5.70 1.60 10 -10 4 8.50 1.00 -10 10 -4 7.50 1.50 10 10 4 6.80 1.40 11 -10 4 -0.60 0.60 11 -10 4 1.00 0.80 -11 -10 -4 0.80 1.70 -11 -10 -4 0.70 1.40 -11 10 -4 -0.20 1.30 -11 10 -4 -1.00 1.10 11 10 4 0.00 1.40 11 10 4 1.50 1.30 12 -10 4 0.50 0.70 -12 -10 -4 0.80 1.80 12 -10 4 0.80 0.60 -12 -10 -4 3.40 1.70 12 10 4 -1.00 1.30 -12 10 -4 1.20 1.20 12 10 4 2.10 1.70 -12 10 -4 1.50 1.50 -13 -10 -4 14.00 2.40 13 10 4 14.20 2.20 -13 10 -4 14.50 2.10 13 10 4 17.80 2.10 -13 10 -4 15.40 1.80 -14 -11 4 1.70 2.10 -14 -11 4 0.80 2.70 14 11 -4 -1.50 1.40 -14 11 4 -0.40 1.00 -14 11 4 2.80 1.30 -13 -11 4 4.40 2.10 -13 -11 4 2.10 1.60 13 11 -4 -0.60 1.40 -13 11 4 3.20 1.90 13 11 -4 1.50 1.50 -13 11 4 2.10 1.00 -12 -11 4 1.70 1.80 -12 -11 4 0.10 1.30 -12 11 4 1.00 1.00 12 11 -4 0.20 1.30 12 11 -4 0.20 1.10 -12 11 4 0.00 0.90 -11 -11 4 14.40 1.80 -11 -11 4 12.60 1.90 11 11 -4 15.50 2.00 11 11 -4 12.20 1.50 -11 11 4 11.60 1.50 -10 -11 4 88.99 3.50 -10 -11 4 90.99 3.90 -10 11 4 90.69 2.70 10 11 -4 89.19 3.20 10 11 -4 90.09 3.30 -9 -11 4 4.00 1.20 -9 -11 4 4.60 1.70 -9 11 4 4.80 0.80 -9 11 4 3.60 1.00 9 11 -4 5.80 1.30 9 11 -4 3.80 1.10 -8 -11 4 3.10 1.30 -8 -11 4 4.70 1.20 -8 11 4 3.60 0.80 -8 11 4 3.00 0.90 8 11 -4 4.50 1.10 8 11 -4 4.70 1.40 -7 -11 4 42.40 2.60 -7 -11 4 48.20 2.40 -7 11 4 41.90 1.80 7 11 -4 43.10 2.80 7 11 -4 44.80 2.30 -7 11 4 44.00 2.00 -6 -11 4 1.90 0.90 -6 -11 4 3.50 1.10 -6 11 4 1.70 0.70 -6 11 4 2.20 0.80 6 11 -4 2.10 0.90 6 11 -4 3.20 1.00 -5 -11 4 77.79 4.10 -5 -11 4 95.39 3.40 5 11 -4 95.89 3.10 -5 11 4 97.49 2.90 -5 11 4 96.19 2.70 5 11 -4 102.89 3.30 -4 -11 4 20.40 1.70 -4 -11 4 15.90 1.70 4 -11 -4 18.80 0.80 4 -11 -4 17.80 0.90 4 11 -4 18.00 1.70 4 11 -4 18.40 1.90 -4 11 4 21.50 1.60 -4 11 4 19.40 1.40 3 -11 -4 19.90 1.10 3 -11 -4 19.90 1.00 -3 -11 4 18.00 1.80 -3 -11 4 22.50 1.70 -3 11 4 20.30 1.60 3 11 -4 17.10 1.60 -3 11 4 19.80 1.40 3 11 -4 21.40 2.00 2 -11 -4 0.10 0.50 -2 -11 4 -0.20 0.80 -2 -11 4 0.40 0.90 -2 11 4 0.30 0.60 2 11 -4 -0.90 0.70 2 11 -4 0.40 1.00 -2 11 4 0.20 0.80 -1 -11 4 69.29 2.50 1 -11 -4 71.49 2.10 -1 -11 4 68.39 2.70 1 -11 -4 69.69 2.30 1 11 -4 68.39 2.80 -1 11 4 69.09 2.30 -1 11 4 70.69 2.60 1 11 -4 65.99 2.50 0 -11 4 113.39 3.30 0 -11 -4 116.09 2.90 0 -11 -4 117.89 3.30 0 11 4 112.29 3.10 0 11 -4 112.19 3.60 0 11 4 116.69 3.40 0 11 -4 108.79 3.30 -1 -11 -4 285.07 6.40 -1 -11 -4 288.47 6.10 1 -11 4 289.47 6.40 1 -11 4 280.57 6.30 1 11 4 286.57 6.30 -1 11 -4 279.97 6.70 -1 11 -4 287.57 6.40 1 11 4 287.27 6.50 2 -11 4 19.60 1.60 -2 -11 -4 17.20 1.50 -2 -11 -4 20.20 1.80 2 -11 4 20.10 1.60 -2 11 -4 20.10 1.90 2 11 4 17.90 1.70 2 11 4 16.70 1.60 -2 11 -4 20.50 1.70 -3 -11 -4 21.00 1.60 -3 -11 -4 17.10 1.90 3 -11 4 21.10 1.60 3 -11 4 17.70 1.50 -3 11 -4 18.40 2.00 3 11 4 18.10 1.60 -3 11 -4 17.60 1.60 3 11 4 18.00 1.90 4 -11 4 2.90 0.80 -4 -11 -4 3.20 1.10 4 -11 4 3.10 0.80 -4 -11 -4 2.70 0.90 -4 11 -4 2.40 0.90 4 11 4 2.20 0.90 -4 11 -4 3.30 1.10 5 -11 4 1.10 0.80 5 -11 4 1.90 0.70 -5 -11 -4 2.40 1.10 -5 -11 -4 1.20 0.90 -5 11 -4 3.10 0.90 -5 11 -4 3.30 1.90 5 11 4 -0.70 0.80 5 11 4 -0.10 1.00 6 -11 4 0.00 0.70 6 -11 4 -0.40 0.80 -6 -11 -4 -0.40 0.90 -6 -11 -4 -2.50 0.90 6 11 4 0.90 0.90 -6 11 -4 -0.70 0.80 6 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1.40 12 12 -4 -0.60 1.20 -12 12 4 -1.80 0.90 -11 -12 4 4.00 1.80 -11 -12 4 5.80 1.50 11 12 -4 5.30 1.30 -11 12 4 6.90 1.00 -10 -12 4 0.90 1.60 -10 -12 4 -0.50 1.30 -10 12 4 0.90 0.80 -10 12 4 0.90 1.10 10 12 -4 -1.50 1.20 -9 -12 4 32.90 2.60 -9 -12 4 33.20 2.90 -9 12 4 35.10 2.20 9 12 -4 37.30 2.70 9 12 -4 34.50 2.40 -9 12 4 37.30 1.90 -8 -12 4 36.40 2.80 -8 -12 4 32.70 2.50 8 12 -4 29.30 2.50 8 12 -4 32.50 2.30 -8 12 4 31.60 2.00 -8 12 4 31.60 1.80 -7 -12 4 22.30 2.70 7 12 -4 22.20 2.20 -7 12 4 17.90 1.70 7 12 -4 20.20 1.90 -7 12 4 18.40 1.60 -6 -12 4 0.40 1.10 -6 12 4 0.60 0.90 6 12 -4 1.90 1.10 -6 12 4 0.40 0.70 6 12 -4 1.80 1.00 -5 -12 4 2.40 0.90 -5 -12 4 5.90 1.30 5 -12 -4 5.60 0.50 5 -12 -4 5.40 0.60 -5 12 4 4.00 0.90 5 12 -4 3.10 1.00 -5 12 4 4.70 0.90 5 12 -4 5.50 1.30 4 -12 -4 0.40 0.40 -4 -12 4 -0.10 1.00 -4 -12 4 0.40 0.90 4 -12 -4 0.50 0.40 4 12 -4 -0.30 0.80 -4 12 4 -0.10 0.80 -4 12 4 0.80 0.70 4 12 -4 -0.70 1.90 3 -12 -4 41.30 1.50 -3 -12 4 38.80 2.30 3 -12 -4 39.70 1.60 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4.30 0.80 5 10 -12 3.80 1.00 5 10 -12 5.30 2.30 -4 -10 12 2.50 1.10 -4 -10 12 -0.50 1.20 4 10 -12 -0.40 0.80 4 10 -12 -0.20 1.20 -4 10 12 -0.20 0.70 -4 10 12 0.40 0.70 -3 -10 12 8.30 1.30 -3 -10 12 8.40 1.40 -3 10 12 9.30 1.00 -3 10 12 9.40 1.10 3 10 -12 9.00 1.20 3 10 -12 10.30 1.60 2 -10 -12 -0.40 0.50 -2 -10 12 0.00 1.10 -2 -10 12 -0.70 0.90 2 -10 -12 0.10 0.40 2 10 -12 -0.50 0.80 2 10 -12 1.40 1.30 -2 10 12 0.90 0.70 -2 10 12 0.60 0.80 1 -10 -12 139.99 3.40 1 -10 -12 142.29 3.60 -1 -10 12 130.09 6.00 1 10 -12 141.89 4.50 -1 10 12 144.99 3.80 1 10 -12 146.39 4.10 0 -10 -12 13.30 1.70 0 -10 -12 14.00 1.40 0 10 -12 10.40 1.30 0 10 -12 9.60 1.50 0 10 12 13.40 1.70 0 10 12 10.70 1.30 -1 -10 -12 9.50 1.20 1 -10 12 7.00 1.40 -1 -10 -12 9.40 1.10 1 10 12 7.30 1.10 1 10 12 7.60 1.20 -2 -10 -12 0.00 0.90 -2 -10 -12 -0.10 1.00 2 -10 12 -1.50 1.10 -2 10 -12 -1.60 1.00 2 10 12 0.70 1.10 2 10 12 -0.50 1.00 3 -10 12 8.30 1.40 -3 -10 -12 11.90 1.30 -3 -10 -12 12.90 1.50 3 10 12 9.00 1.30 -3 10 -12 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0.50 -2 -11 12 1.70 1.20 2 -11 -12 2.30 0.60 2 11 -12 1.30 1.40 -2 11 12 1.00 0.90 2 11 -12 2.30 1.20 1 -11 -12 0.30 0.80 -1 -11 12 2.20 1.10 1 -11 -12 1.30 0.70 -1 11 12 1.70 1.00 1 11 -12 2.70 1.80 -1 11 12 0.30 0.90 1 11 -12 0.80 1.20 0 -11 -12 0.30 0.70 0 -11 -12 0.50 0.90 0 -11 12 0.40 1.10 0 11 12 1.90 1.10 0 11 12 -0.70 0.90 0 11 -12 0.70 1.00 -1 -11 -12 60.89 2.40 -1 -11 -12 56.99 2.70 1 -11 12 61.19 3.00 1 11 12 61.29 3.10 -1 11 -12 57.19 2.80 1 11 12 61.19 2.90 2 -11 12 -0.40 1.40 2 -11 12 -0.90 1.20 -2 -11 -12 -0.90 1.10 -2 -11 -12 -0.50 1.10 2 11 12 0.90 1.20 -2 11 -12 -2.50 1.40 2 11 12 1.30 1.00 -2 11 -12 0.90 1.20 -3 -11 -12 2.20 1.10 3 -11 12 4.70 1.50 3 -11 12 3.00 1.30 -3 -11 -12 2.70 1.20 3 11 12 1.90 1.20 -3 11 -12 7.80 2.00 3 11 12 2.30 1.30 -3 11 -12 2.00 1.20 -4 -11 -12 8.80 1.50 4 -11 12 11.10 1.70 4 -11 12 9.60 1.50 -4 11 -12 10.90 2.40 4 11 12 12.40 1.80 4 11 12 9.40 1.50 -4 11 -12 9.00 1.50 -5 -11 -12 2.50 1.50 5 -11 12 4.70 1.50 5 -11 12 6.20 1.40 -5 -11 -12 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0.15 0.00 -10 0 20 -0.13 0.00 -8 0 20 -0.52 0.00 -6 0 20 -0.73 0.00 -4 0 20 -0.53 0.00 -2 0 20 0.47 0.00 0 0 20 0.92 0.00 2 0 20 -0.42 0.00 4 0 20 -1.15 0.00 -10 1 20 0.00 0.00 -9 1 20 0.34 0.00 -8 1 20 -0.09 0.00 -7 1 20 0.71 0.00 -6 1 20 -0.21 0.00 -5 1 20 0.68 0.00 -4 1 20 -0.54 0.00 -3 1 20 0.11 0.00 -2 1 20 -0.49 0.00 -1 1 20 -0.85 0.00 0 1 20 0.07 0.00 1 1 20 -0.33 0.00 2 1 20 0.44 0.00 3 1 20 0.87 0.00 4 1 20 0.36 0.00 -10 2 20 -0.20 0.00 -9 2 20 0.06 0.00 -8 2 20 -0.62 0.00 -7 2 20 0.19 0.00 -6 2 20 -0.75 0.00 -5 2 20 0.60 0.00 -4 2 20 -0.39 0.00 -3 2 20 0.99 0.00 -2 2 20 0.37 0.00 -1 2 20 0.46 0.00 0 2 20 0.68 0.00 1 2 20 -0.34 0.00 2 2 20 -0.24 0.00 3 2 20 -0.58 0.00 4 2 20 -0.70 0.00 -10 3 20 0.09 0.00 -9 3 20 0.42 0.00 -8 3 20 -0.14 0.00 -7 3 20 0.77 0.00 -6 3 20 -0.39 0.00 -5 3 20 0.47 0.00 -4 3 20 -0.99 0.00 -3 3 20 -0.08 0.00 -2 3 20 -0.94 0.00 -1 3 20 -0.60 0.00 0 3 20 -0.15 0.00 1 3 20 -0.31 0.00 2 3 20 0.44 0.00 3 3 20 0.38 0.00 4 3 20 0.47 0.00 -9 4 20 0.06 0.00 -8 4 20 -0.57 0.00 -7 4 20 0.28 0.00 -6 4 20 -0.57 0.00 -5 4 20 0.75 0.00 -4 4 20 0.01 0.00 -3 4 20 1.02 0.00 -2 4 20 0.43 0.00 -1 4 20 0.48 0.00 0 4 20 0.56 0.00 1 4 20 -0.22 0.00 2 4 20 0.07 0.00 3 4 20 -0.61 0.00 -9 5 20 0.23 0.00 -8 5 20 -0.23 0.00 -7 5 20 0.51 0.00 -6 5 20 -0.55 0.00 -5 5 20 0.10 0.00 -4 5 20 -0.97 0.00 -3 5 20 -0.31 0.00 -2 5 20 -0.62 0.00 -1 5 20 -0.47 0.00 0 5 20 0.04 0.00 1 5 20 -0.41 0.00 2 5 20 0.63 0.00 3 5 20 0.06 0.00 -8 6 20 -0.27 0.00 -7 6 20 0.34 0.00 -6 6 20 -0.19 0.00 -5 6 20 0.82 0.00 -4 6 20 0.24 0.00 -3 6 20 0.74 0.00 -2 6 20 0.29 0.00 -1 6 20 0.15 0.00 0 6 20 0.39 0.00 1 6 20 -0.33 0.00 2 6 20 0.26 0.00 -7 7 20 0.22 0.00 -6 7 20 -0.48 0.00 -5 7 20 -0.14 0.00 -4 7 20 -0.72 0.00 -3 7 20 -0.25 0.00 -2 7 20 -0.23 0.00 -1 7 20 -0.28 0.00 0 7 20 -0.01 0.00 1 7 20 -0.38 0.00 2 7 20 0.26 0.00 -6 8 20 -0.06 0.00 -5 8 20 0.49 0.00 -4 8 20 0.18 0.00 -3 8 20 0.19 0.00 -2 8 20 0.24 0.00 -1 8 20 -0.04 0.00 0 8 20 0.48 0.00 -4 9 20 -0.20 0.00 -3 9 20 -0.03 0.00 -2 9 20 0.20 0.00 -1 9 20 -0.47 0.00 -7 0 21 0.66 0.00 -5 0 21 0.57 0.00 -3 0 21 0.15 0.00 -1 0 21 -0.59 0.00 1 0 21 -0.08 0.00 -8 1 21 -0.61 0.00 -7 1 21 0.07 0.00 -6 1 21 -0.60 0.00 -5 1 21 0.25 0.00 -4 1 21 -0.39 0.00 -3 1 21 0.36 0.00 -2 1 21 0.26 0.00 -1 1 21 0.06 0.00 0 1 21 0.45 0.00 1 1 21 -0.30 0.00 2 1 21 -0.35 0.00 -8 2 21 -0.06 0.00 -7 2 21 0.67 0.00 -6 2 21 -0.15 0.00 -5 2 21 0.41 0.00 -4 2 21 -0.50 0.00 -3 2 21 0.04 0.00 -2 2 21 -0.38 0.00 -1 2 21 -0.44 0.00 0 2 21 0.15 0.00 1 2 21 -0.06 0.00 2 2 21 0.43 0.00 -8 3 21 -0.65 0.00 -7 3 21 -0.01 0.00 -6 3 21 -0.49 0.00 -5 3 21 0.27 0.00 -4 3 21 -0.07 0.00 -3 3 21 0.47 0.00 -2 3 21 0.31 0.00 -1 3 21 0.13 0.00 0 3 21 0.38 0.00 1 3 21 -0.24 0.00 2 3 21 -0.10 0.00 -7 4 21 0.61 0.00 -6 4 21 -0.07 0.00 -5 4 21 0.12 0.00 -4 4 21 -0.34 0.00 -3 4 21 -0.24 0.00 -2 4 21 -0.22 0.00 -1 4 21 -0.47 0.00 0 4 21 0.09 0.00 1 4 21 -0.25 0.00 -7 5 21 0.05 0.00 -6 5 21 -0.26 0.00 -5 5 21 0.27 0.00 -4 5 21 0.20 0.00 -3 5 21 0.25 0.00 -2 5 21 0.35 0.00 -1 5 21 -0.01 0.00 0 5 21 0.38 0.00 1 5 21 -0.33 0.00 -6 6 21 -0.21 0.00 -5 6 21 -0.12 0.00 -4 6 21 -0.31 0.00 -3 6 21 -0.27 0.00 -2 6 21 -0.06 0.00 -1 6 21 -0.27 0.00 0 6 21 0.13 0.00 -4 7 21 0.25 0.00 -3 7 21 0.07 0.00 -2 7 21 0.22 0.00 -6 0 22 -0.31 0.00 -4 0 22 -0.29 0.00 -2 0 22 0.18 0.00 -6 1 22 -0.09 0.00 -5 1 22 0.25 0.00 -4 1 22 -0.25 0.00 -3 1 22 0.09 0.00 -2 1 22 -0.16 0.00 -1 1 22 -0.34 0.00 -6 2 22 -0.21 0.00 -5 2 22 0.18 0.00 -4 2 22 -0.11 0.00 -3 2 22 0.30 0.00 -2 2 22 0.18 0.00 -1 2 22 0.04 0.00 -5 3 22 0.04 0.00 -4 3 22 -0.15 0.00 -3 3 22 -0.10 0.00 -2 3 22 -0.13 0.00 -3 4 22 0.06 0.00 1 1 0 -66.85 0.00 0 2 0 53.81 0.00 16 5 0 0.10 0.00 14 11 0 -0.22 0.00 -1 0 1 -75.70 0.00 1 0 1 -61.64 0.00 -1 1 1 2.37 0.00 0 1 1 67.84 0.00 1 1 1 -0.39 0.00 0 2 1 -1.27 0.00 16 4 1 0.15 0.00 -16 6 1 0.12 0.00 -15 9 1 -0.32 0.00 -13 13 1 0.01 0.00 12 14 1 -0.29 0.00 8 18 1 0.46 0.00 4 20 1 0.64 0.00 -2 0 2 61.09 0.00 0 0 2 59.07 0.00 -1 1 2 -59.89 0.00 0 1 2 -1.78 0.00 16 3 2 0.01 0.00 -16 6 2 -0.02 0.00 -13 13 2 -0.08 0.00 11 15 2 0.15 0.00 9 17 2 0.11 0.00 6 19 2 0.34 0.00 4 20 2 -0.08 0.00 15 7 3 -0.11 0.00 -4 20 3 0.36 0.00 15 6 4 -0.25 0.00 14 9 4 0.23 0.00 12 13 4 0.21 0.00 7 18 4 0.11 0.00 -4 20 4 -0.25 0.00 14 8 5 0.13 0.00 -13 13 5 -0.03 0.00 10 15 5 -0.16 0.00 8 17 5 -0.04 0.00 -8 18 5 0.01 0.00 -6 19 5 -0.53 0.00 -3 20 5 0.11 0.00 2 20 5 -0.16 0.00 15 1 6 -0.34 0.00 15 2 6 0.17 0.00 14 7 6 0.12 0.00 -13 13 6 0.13 0.00 6 18 6 -0.08 0.00 -6 19 6 0.73 0.00 4 19 6 -0.25 0.00 -2 20 6 -0.22 0.00 -1 20 6 0.07 0.00 0 20 6 -0.34 0.00 -16 6 7 0.59 0.00 14 6 7 0.13 0.00 -15 9 7 -0.24 0.00 13 9 7 -0.34 0.00 -14 11 7 0.00 0.00 12 11 7 -0.71 0.00 -12 14 7 0.10 0.00 10 14 7 0.32 0.00 -9 17 7 -0.04 0.00 7 17 7 0.23 0.00 -5 19 7 -0.63 0.00 3 19 7 0.41 0.00 14 4 8 0.23 0.00 12 10 8 -0.59 0.00 11 12 8 -0.68 0.00 -11 15 8 0.29 0.00 -10 16 8 -0.51 0.00 -7 18 8 -0.20 0.00 -4 19 8 0.25 0.00 2 19 8 -0.53 0.00 -16 5 9 0.10 0.00 13 6 9 -0.06 0.00 -15 8 9 0.07 0.00 12 9 9 -0.22 0.00 11 11 9 -0.73 0.00 -13 12 9 0.02 0.00 9 14 9 0.70 0.00 8 15 9 -0.48 0.00 -8 17 9 -0.41 0.00 -6 18 9 0.30 0.00 -2 19 9 -0.18 0.00 -1 19 9 0.09 0.00 0 19 9 0.01 0.00 -16 3 10 0.57 0.00 -16 4 10 0.04 0.00 13 4 10 -0.28 0.00 -14 10 10 -0.05 0.00 11 10 10 -0.64 0.00 -12 13 10 0.22 0.00 -9 16 10 -0.29 0.00 6 16 10 -0.11 0.00 -5 18 10 -0.25 0.00 2 18 10 -0.33 0.00 -16 1 11 -0.16 0.00 -16 2 11 0.62 0.00 12 6 11 0.30 0.00 -15 7 11 0.13 0.00 -13 11 11 0.30 0.00 5 16 11 -0.09 0.00 -3 18 11 0.34 0.00 -1 18 11 0.12 0.00 0 18 11 -0.36 0.00 12 3 12 0.49 0.00 6 4 12 2.30 0.00 -15 6 12 -0.22 0.00 11 7 12 -0.07 0.00 -12 12 12 -0.25 0.00 -9 15 12 0.19 0.00 4 16 12 0.20 0.00 -5 17 12 0.18 0.00 2 17 12 0.17 0.00 -15 4 13 0.09 0.00 11 5 13 -0.15 0.00 10 8 13 0.31 0.00 9 10 13 -0.05 0.00 -2 17 13 -0.02 0.00 -15 1 14 -0.03 0.00 -15 2 14 -0.13 0.00 10 6 14 -0.31 0.00 -7 15 14 -0.22 0.00 3 15 14 -0.20 0.00 -4 16 14 -0.05 0.00 0 16 14 -0.10 0.00 10 2 15 0.01 0.00 -11 11 15 -0.20 0.00 -10 12 15 0.25 0.00 -9 13 15 -0.19 0.00 3 14 15 -0.20 0.00 -5 15 15 0.27 0.00 1 15 15 -0.45 0.00 -14 0 16 -0.17 0.00 -14 1 16 0.04 0.00 9 3 16 0.79 0.00 -13 6 16 -0.22 0.00 -12 8 16 0.32 0.00 6 10 16 0.10 0.00 -10 11 16 0.16 0.00 -9 12 16 -0.05 0.00 3 13 16 -0.31 0.00 1 14 16 -0.50 0.00 -13 3 17 0.24 0.00 8 3 17 -0.83 0.00 -10 10 17 -0.05 0.00 5 10 17 0.00 0.00 -9 11 17 0.16 0.00 4 11 17 0.30 0.00 -6 13 17 0.20 0.00 1 13 17 -0.41 0.00 7 3 18 0.78 0.00 -12 4 18 0.31 0.00 6 6 18 -0.43 0.00 -11 7 18 -0.08 0.00 5 8 18 -0.77 0.00 2 11 18 0.42 0.00 -5 12 18 0.18 0.00 0 12 18 0.41 0.00 6 1 19 -1.08 0.00 6 2 19 0.27 0.00 -11 4 19 0.03 0.00 4 7 19 0.14 0.00 -9 8 19 0.16 0.00 -8 9 19 -0.30 0.00 -7 10 19 0.25 0.00 1 10 19 -0.80 0.00 -4 11 19 -0.16 0.00 -3 11 19 0.26 0.00 -2 11 19 -0.08 0.00 -1 11 19 0.06 0.00 -10 4 20 -0.20 0.00 4 4 20 -0.37 0.00 -9 6 20 0.14 0.00 3 6 20 -0.75 0.00 -8 7 20 -0.14 0.00 -7 8 20 0.11 0.00 1 8 20 0.12 0.00 -5 9 20 0.01 0.00 0 9 20 0.01 0.00 -9 0 21 0.40 0.00 3 0 21 0.61 0.00 -9 1 21 0.07 0.00 3 1 21 -0.34 0.00 -9 2 21 0.43 0.00 -8 4 21 0.00 0.00 2 4 21 0.33 0.00 -7 6 21 0.32 0.00 -5 7 21 0.28 0.00 -1 7 21 -0.02 0.00 0 0 22 0.32 0.00 -7 1 22 0.39 0.00 0 1 22 0.10 0.00 0 2 22 0.22 0.00 -6 3 22 0.08 0.00 -1 3 22 -0.33 0.00 -5 4 22 -0.06 0.00 -4 4 22 0.09 0.00 -2 4 22 0.28 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 119 40 ' ' 2 0.500 0.000 1.000 119 40 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 1 0 2.029 0 2 0 2.531 -1 0 1 1.784 1 0 1 2.160 -1 1 1 2.188 0 1 1 1.735 1 1 1 2.503 0 2 1 2.795 -2 0 2 3.571 0 0 2 2.374 -1 1 2 2.877 0 1 2 2.690 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL mo_molan50P 21/nk_0m_a R = 0.08 CELL 13.0937 16.0964 17.5005 90.00 101.34 90.00 SPGR P21/n # Solvent Accessible Volume = 239 # Electrons Found in S.A.V. = 80 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.940 0.462 0.454 ! 5.64 eA-3 C102 0.956 0.552 0.417 ! 4.46 eA-3 C103 0.502 0.076 0.010 ! 4.02 eA-3 Q104 0.659 0.277 0.448 ! 0.82 eA-3 ) ; _shelx_fab_checksum 1116 data_mo_molan508e_250k_0m_a_sq _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' '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' 'Fe' 'Fe' 0.3463 0.8444 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.1307(5) _cell_length_b 16.1160(8) _cell_length_c 17.5545(8) _cell_angle_alpha 90 _cell_angle_beta 101.154(2) _cell_angle_gamma 90 _cell_volume 3644.6(3) _cell_formula_units_Z 4 _cell_measurement_temperature 249(2) _cell_measurement_reflns_used 9940 _cell_measurement_theta_min 2.98 _cell_measurement_theta_max 27.08 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.302 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.460 _shelx_estimated_absorpt_T_min 0.763 _shelx_estimated_absorpt_T_max 0.964 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6720 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 249(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 49678 _diffrn_reflns_av_unetI/netI 0.0252 _diffrn_reflns_av_R_equivalents 0.0419 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.982 _diffrn_reflns_theta_max 27.142 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 8061 _reflns_number_gt 5959 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0357P)^2^+3.0495P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 8061 _refine_ls_number_parameters 537 _refine_ls_number_restraints 136 _refine_ls_R_factor_all 0.0639 _refine_ls_R_factor_gt 0.0397 _refine_ls_wR_factor_ref 0.1040 _refine_ls_wR_factor_gt 0.0880 _refine_ls_goodness_of_fit_ref 1.041 _refine_ls_restrained_S_all 1.037 _refine_ls_shift/su_max 0.046 _refine_ls_shift/su_mean 0.001 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 Fe1 Fe 0.66288(2) 0.27497(2) 0.45008(2) 0.02759(8) Uani 1 1 d . . . . . O1 O 1.22709(11) 0.25592(11) 0.25050(9) 0.0448(4) Uani 1 1 d . . . . . O2 O 0.10139(12) 0.25157(12) 0.65574(11) 0.0527(5) Uani 1 1 d . . . . . N1 N 0.71182(11) 0.33472(10) 0.37463(9) 0.0271(3) Uani 1 1 d . . . . . N2 N 0.79445(12) 0.31793(10) 0.34411(9) 0.0282(3) Uani 1 1 d . . . . . N3 N 0.86116(12) 0.20881(10) 0.43553(9) 0.0290(4) Uani 1 1 d . . . . . N4 N 0.77527(12) 0.20503(10) 0.46456(9) 0.0274(3) Uani 1 1 d . . . . . N5 N 0.55354(12) 0.20398(10) 0.44084(9) 0.0259(3) Uani 1 1 d . . . . . N6 N 0.46915(12) 0.20651(10) 0.47168(9) 0.0271(3) Uani 1 1 d . . . . . N7 N 0.52614(12) 0.32791(10) 0.54972(9) 0.0288(4) Uani 1 1 d . . . . . N8 N 0.60789(12) 0.34040(10) 0.51688(9) 0.0280(3) Uani 1 1 d D . . . . C1 C 0.65075(15) 0.40002(12) 0.33162(12) 0.0295(4) Uani 1 1 d . . . . . C2 C 0.54685(16) 0.40987(15) 0.33634(13) 0.0398(5) Uani 1 1 d . . . . . H2 H 0.515743 0.372732 0.366239 0.048 Uiso 1 1 calc R U . . . C3 C 0.48893(18) 0.47428(17) 0.29710(15) 0.0497(6) Uani 1 1 d . . . . . H3 H 0.419101 0.480796 0.301333 0.060 Uiso 1 1 calc R U . . . C4 C 0.53237(19) 0.52864(15) 0.25214(16) 0.0492(6) Uani 1 1 d . . . . . H4 H 0.492917 0.572407 0.226065 0.059 Uiso 1 1 calc R U . . . C5 C 0.63450(19) 0.51809(15) 0.24583(15) 0.0490(6) Uani 1 1 d . . . . . H5 H 0.664413 0.554301 0.214375 0.059 Uiso 1 1 calc R U . . . C6 C 0.69357(17) 0.45475(14) 0.28529(14) 0.0400(5) Uani 1 1 d . . . . . H6 H 0.763331 0.448679 0.280727 0.048 Uiso 1 1 calc R U . . . C7 C 0.86384(14) 0.26217(12) 0.37728(11) 0.0266(4) Uani 1 1 d . . . . . C8 C 0.96016(14) 0.25773(12) 0.34470(11) 0.0255(4) Uani 1 1 d . . . . . C9 C 0.95887(14) 0.27731(12) 0.26734(11) 0.0292(4) Uani 1 1 d . . . . . H9 H 0.896008 0.292481 0.234898 0.035 Uiso 1 1 calc R U . . . C10 C 1.04852(15) 0.27474(13) 0.23773(11) 0.0313(4) Uani 1 1 d . . . . . H10 H 1.046215 0.287319 0.185140 0.038 Uiso 1 1 calc R U . . . C11 C 1.14263(14) 0.25361(12) 0.28523(12) 0.0289(4) Uani 1 1 d . . . . . C12 C 1.14539(15) 0.23300(13) 0.36232(12) 0.0321(4) Uani 1 1 d . . . . . H12 H 1.208341 0.217821 0.394643 0.039 Uiso 1 1 calc R U . . . C13 C 1.05458(15) 0.23501(13) 0.39110(12) 0.0332(4) Uani 1 1 d . . . . . H13 H 1.056543 0.220702 0.443278 0.040 Uiso 1 1 calc R U . . . C14 C 1.32563(18) 0.2381(2) 0.29740(17) 0.0653(9) Uani 1 1 d . . . . . H14A H 1.378988 0.243169 0.266415 0.098 Uiso 1 1 calc R U . . . H14B H 1.325546 0.182026 0.317444 0.098 Uiso 1 1 calc R U . . . H14C H 1.339571 0.276989 0.340344 0.098 Uiso 1 1 calc R U . . . C15 C 0.77963(14) 0.13624(12) 0.51750(11) 0.0280(4) Uani 1 1 d . . . . . C16 C 0.82557(19) 0.06171(14) 0.50315(13) 0.0414(5) Uani 1 1 d . . . . . H16 H 0.854742 0.055724 0.458595 0.050 Uiso 1 1 calc R U . . . C17 C 0.8283(2) -0.00364(15) 0.55447(15) 0.0496(6) Uani 1 1 d . . . . . H17 H 0.859900 -0.053864 0.544778 0.060 Uiso 1 1 calc R U . . . C18 C 0.7850(2) 0.00411(15) 0.61995(14) 0.0464(6) Uani 1 1 d . . . . . H18 H 0.786551 -0.040754 0.654373 0.056 Uiso 1 1 calc R U . . . C19 C 0.73982(18) 0.07792(15) 0.63432(13) 0.0440(5) Uani 1 1 d . . . . . H19 H 0.710608 0.083542 0.678893 0.053 Uiso 1 1 calc R U . . . C20 C 0.73698(16) 0.14406(14) 0.58360(12) 0.0354(5) Uani 1 1 d . . . . . H20 H 0.706094 0.194381 0.593953 0.043 Uiso 1 1 calc R U . . . C21 C 0.55193(14) 0.13365(12) 0.39008(11) 0.0260(4) Uani 1 1 d . . . . . C22 C 0.51955(19) 0.05724(14) 0.41176(13) 0.0407(5) Uani 1 1 d . . . . . H22 H 0.495937 0.051496 0.458731 0.049 Uiso 1 1 calc R U . . . C23 C 0.5219(2) -0.01089(14) 0.36419(15) 0.0465(6) Uani 1 1 d . . . . . H23 H 0.501958 -0.063237 0.379835 0.056 Uiso 1 1 calc R U . . . C24 C 0.55336(18) -0.00264(14) 0.29394(15) 0.0442(6) Uani 1 1 d . . . . . H24 H 0.554035 -0.048888 0.261416 0.053 Uiso 1 1 calc R U . . . C25 C 0.58371(18) 0.07413(15) 0.27207(14) 0.0447(6) Uani 1 1 d . . . . . H25 H 0.604641 0.080139 0.224096 0.054 Uiso 1 1 calc R U . . . C26 C 0.58385(16) 0.14260(13) 0.31974(12) 0.0335(4) Uani 1 1 d . . . . . H26 H 0.605383 0.194640 0.304549 0.040 Uiso 1 1 calc R U . . . C27 C 0.46124(14) 0.26508(12) 0.52430(10) 0.0252(4) Uani 1 1 d . . . . . C28 C 0.36732(14) 0.25917(12) 0.55956(10) 0.0265(4) Uani 1 1 d . . . . . C29 C 0.33519(16) 0.32600(14) 0.59904(13) 0.0376(5) Uani 1 1 d . . . . . H29 H 0.374356 0.375213 0.604569 0.045 Uiso 1 1 calc R U . . . C30 C 0.24676(17) 0.32121(15) 0.63019(14) 0.0442(6) Uani 1 1 d . . . . . H30 H 0.225966 0.367275 0.656260 0.053 Uiso 1 1 calc R U . . . C31 C 0.18823(15) 0.24911(14) 0.62345(12) 0.0348(5) Uani 1 1 d . . . . . C32 C 0.22062(15) 0.18116(14) 0.58682(12) 0.0345(5) Uani 1 1 d . . . . . H32 H 0.182877 0.131297 0.583583 0.041 Uiso 1 1 calc R U . . . C33 C 0.30902(15) 0.18647(13) 0.55473(12) 0.0317(4) Uani 1 1 d . . . . . H33 H 0.329998 0.140068 0.529216 0.038 Uiso 1 1 calc R U . . . C34 C 0.02772(18) 0.18669(19) 0.63647(15) 0.0534(7) Uani 1 1 d . . . . . H34A H 0.008977 0.181432 0.580462 0.080 Uiso 1 1 calc R U . . . H34B H -0.033769 0.199384 0.657261 0.080 Uiso 1 1 calc R U . . . H34C H 0.057636 0.134946 0.658535 0.080 Uiso 1 1 calc R U . . . C35 C 0.6716(7) 0.4080(6) 0.5566(6) 0.026(4) Uani 0.338(3) 1 d DG U P A 1 C36 C 0.6613(7) 0.4884(7) 0.5275(6) 0.037(4) Uani 0.338(3) 1 d G . P A 1 H36 H 0.613351 0.499849 0.481589 0.044 Uiso 0.338(3) 1 calc R U P A 1 C37 C 0.7219(8) 0.5518(5) 0.5662(7) 0.035(3) Uani 0.338(3) 1 d G . P A 1 H37 H 0.714940 0.606207 0.546538 0.042 Uiso 0.338(3) 1 calc R U P A 1 C38 C 0.7928(8) 0.5349(6) 0.6341(7) 0.048(4) Uani 0.338(3) 1 d G U P A 1 H38 H 0.833781 0.577792 0.660327 0.058 Uiso 0.338(3) 1 calc R U P A 1 C39 C 0.8031(8) 0.4545(8) 0.6633(6) 0.041(3) Uani 0.338(3) 1 d G . P A 1 H39 H 0.851033 0.443020 0.709170 0.049 Uiso 0.338(3) 1 calc R U P A 1 C40 C 0.7425(7) 0.3910(5) 0.6245(6) 0.029(3) Uani 0.338(3) 1 d G . P A 1 H40 H 0.749445 0.336661 0.644223 0.035 Uiso 0.338(3) 1 calc R U P A 1 C35' C 0.6710(9) 0.4083(6) 0.5572(7) 0.027(4) Uani 0.300(3) 1 d DG U P A 2 C36' C 0.6890(9) 0.4811(7) 0.5194(6) 0.039(3) Uani 0.300(3) 1 d G . P A 2 H36' H 0.657373 0.489307 0.467182 0.047 Uiso 0.300(3) 1 calc R U P A 2 C37' C 0.7536(8) 0.5419(5) 0.5590(7) 0.043(3) Uani 0.300(3) 1 d G . P A 2 H37' H 0.765737 0.591108 0.533441 0.052 Uiso 0.300(3) 1 calc R U P A 2 C38' C 0.8003(9) 0.5298(7) 0.6362(7) 0.052(5) Uani 0.300(3) 1 d G . P A 2 H38' H 0.844041 0.570838 0.662960 0.062 Uiso 0.300(3) 1 calc R U P A 2 C39' C 0.7824(9) 0.4569(8) 0.6740(6) 0.037(3) Uani 0.300(3) 1 d G . P A 2 H39' H 0.813980 0.448767 0.726221 0.045 Uiso 0.300(3) 1 calc R U P A 2 C40' C 0.7177(9) 0.3962(6) 0.6344(7) 0.027(3) Uani 0.300(3) 1 d G . P A 2 H40' H 0.705616 0.346965 0.659963 0.033 Uiso 0.300(3) 1 calc R U P A 2 C35" C 0.6702(6) 0.4056(5) 0.5516(5) 0.036(3) Uani 0.361(3) 1 d DG U P A 3 C36" C 0.6335(6) 0.4864(6) 0.5400(5) 0.047(3) Uani 0.361(3) 1 d G . P A 3 H36" H 0.568978 0.496646 0.507378 0.056 Uiso 0.361(3) 1 calc R U P A 3 C37" C 0.6920(7) 0.5521(4) 0.5765(6) 0.050(3) Uani 0.361(3) 1 d G . P A 3 H37" H 0.667187 0.606743 0.568559 0.060 Uiso 0.361(3) 1 calc R U P A 3 C38" C 0.7874(7) 0.5370(5) 0.6246(6) 0.057(4) Uani 0.361(3) 1 d G . P A 3 H38" H 0.827000 0.581407 0.649311 0.068 Uiso 0.361(3) 1 calc R U P A 3 C39" C 0.8241(6) 0.4562(5) 0.6363(5) 0.073(4) Uani 0.361(3) 1 d G . P A 3 H39" H 0.888606 0.445973 0.668883 0.088 Uiso 0.361(3) 1 calc R U P A 3 C40" C 0.7655(6) 0.3905(4) 0.5998(5) 0.050(3) Uani 0.361(3) 1 d G . P A 3 H40" H 0.790398 0.335874 0.607702 0.060 Uiso 0.361(3) 1 calc R U P A 3 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 Fe1 0.02278(14) 0.03131(16) 0.03139(15) -0.00131(12) 0.01196(11) -0.00198(11) O1 0.0254(7) 0.0722(12) 0.0399(8) 0.0119(8) 0.0144(6) 0.0056(7) O2 0.0318(8) 0.0706(12) 0.0634(11) -0.0171(9) 0.0279(8) -0.0083(8) N1 0.0205(7) 0.0275(8) 0.0344(9) -0.0027(7) 0.0078(6) -0.0022(6) N2 0.0230(8) 0.0310(9) 0.0321(9) -0.0005(7) 0.0088(7) -0.0009(7) N3 0.0234(8) 0.0347(9) 0.0304(8) 0.0014(7) 0.0094(7) 0.0002(7) N4 0.0267(8) 0.0312(9) 0.0262(8) -0.0007(7) 0.0098(6) -0.0030(7) N5 0.0262(8) 0.0280(8) 0.0261(8) 0.0009(6) 0.0113(6) 0.0010(6) N6 0.0239(8) 0.0338(9) 0.0254(8) -0.0003(7) 0.0093(6) -0.0015(7) N7 0.0246(8) 0.0329(9) 0.0308(8) -0.0019(7) 0.0104(7) -0.0023(7) N8 0.0246(8) 0.0295(9) 0.0309(8) -0.0009(7) 0.0080(7) -0.0023(7) C1 0.0257(9) 0.0265(10) 0.0349(10) -0.0044(8) 0.0028(8) -0.0001(8) C2 0.0283(10) 0.0468(13) 0.0447(13) 0.0023(10) 0.0079(9) 0.0023(9) C3 0.0325(12) 0.0591(16) 0.0566(15) -0.0014(13) 0.0060(11) 0.0130(11) C4 0.0457(13) 0.0351(13) 0.0620(16) 0.0033(11) -0.0013(12) 0.0115(10) C5 0.0465(14) 0.0371(13) 0.0609(16) 0.0114(11) 0.0039(12) -0.0028(10) C6 0.0299(11) 0.0355(12) 0.0541(14) 0.0059(10) 0.0073(10) -0.0027(9) C7 0.0229(9) 0.0314(10) 0.0259(9) -0.0019(8) 0.0054(7) -0.0020(8) C8 0.0241(9) 0.0254(9) 0.0277(9) -0.0003(7) 0.0071(7) -0.0008(7) C9 0.0232(9) 0.0349(11) 0.0288(10) 0.0009(8) 0.0028(7) 0.0020(8) C10 0.0309(10) 0.0392(11) 0.0250(9) 0.0042(9) 0.0081(8) 0.0031(9) C11 0.0235(9) 0.0317(10) 0.0335(10) 0.0001(8) 0.0102(8) -0.0017(8) C12 0.0235(9) 0.0404(12) 0.0319(10) 0.0077(9) 0.0037(8) 0.0034(8) C13 0.0297(10) 0.0435(12) 0.0270(10) 0.0087(9) 0.0068(8) 0.0039(9) C14 0.0234(11) 0.111(3) 0.0642(17) 0.0189(17) 0.0140(11) 0.0055(13) C15 0.0265(9) 0.0293(10) 0.0281(10) 0.0021(8) 0.0053(8) -0.0051(8) C16 0.0541(14) 0.0357(12) 0.0378(12) -0.0009(9) 0.0168(11) 0.0011(10) C17 0.0667(17) 0.0305(12) 0.0528(15) 0.0017(11) 0.0144(13) 0.0038(11) C18 0.0572(15) 0.0370(13) 0.0439(13) 0.0130(10) 0.0071(11) -0.0063(11) C19 0.0483(13) 0.0516(14) 0.0351(12) 0.0094(10) 0.0154(10) -0.0031(11) C20 0.0360(11) 0.0387(12) 0.0334(11) 0.0023(9) 0.0115(9) 0.0014(9) C21 0.0222(9) 0.0289(10) 0.0276(9) -0.0009(8) 0.0066(7) 0.0004(7) C22 0.0552(14) 0.0339(12) 0.0370(12) 0.0022(9) 0.0191(11) -0.0033(10) C23 0.0586(15) 0.0256(11) 0.0574(15) 0.0015(10) 0.0167(12) -0.0036(10) C24 0.0440(13) 0.0336(12) 0.0586(15) -0.0182(11) 0.0192(11) -0.0041(10) C25 0.0478(13) 0.0483(14) 0.0451(13) -0.0153(11) 0.0268(11) -0.0099(11) C26 0.0360(11) 0.0328(11) 0.0360(11) -0.0026(9) 0.0176(9) -0.0073(9) C27 0.0225(9) 0.0314(10) 0.0216(9) 0.0010(8) 0.0042(7) 0.0004(7) C28 0.0229(9) 0.0330(10) 0.0237(9) -0.0013(8) 0.0050(7) 0.0004(7) C29 0.0324(11) 0.0364(12) 0.0479(13) -0.0072(10) 0.0175(10) -0.0035(9) C30 0.0371(12) 0.0440(13) 0.0575(15) -0.0154(11) 0.0239(11) -0.0008(10) C31 0.0234(9) 0.0497(13) 0.0336(11) -0.0034(9) 0.0114(8) -0.0020(9) C32 0.0287(10) 0.0409(12) 0.0357(11) -0.0029(9) 0.0109(9) -0.0084(9) C33 0.0303(10) 0.0341(11) 0.0325(10) -0.0044(9) 0.0109(8) -0.0018(8) C34 0.0294(11) 0.083(2) 0.0510(15) -0.0028(14) 0.0158(11) -0.0130(12) C35 0.023(5) 0.024(4) 0.033(5) -0.005(3) 0.010(3) -0.005(3) C36 0.046(7) 0.029(4) 0.038(5) -0.002(3) 0.015(5) 0.004(4) C37 0.045(7) 0.023(4) 0.043(5) -0.005(3) 0.024(5) 0.002(4) C38 0.050(6) 0.045(5) 0.052(5) -0.004(4) 0.013(4) -0.007(4) C39 0.030(6) 0.048(5) 0.042(5) -0.002(4) 0.004(4) -0.010(4) C40 0.012(6) 0.036(4) 0.043(5) 0.003(4) 0.013(4) -0.002(3) C35' 0.025(6) 0.025(5) 0.031(4) -0.007(3) 0.008(3) -0.004(4) C36' 0.050(7) 0.033(4) 0.033(5) -0.002(3) 0.006(4) -0.007(4) C37' 0.048(7) 0.027(4) 0.056(5) -0.010(4) 0.012(5) -0.004(4) C38' 0.052(8) 0.043(7) 0.058(6) -0.014(5) 0.003(5) -0.023(5) C39' 0.029(5) 0.046(5) 0.039(5) -0.012(3) 0.009(4) -0.006(3) C40' 0.014(6) 0.039(4) 0.032(4) -0.005(3) 0.012(4) -0.001(3) C35" 0.034(4) 0.041(4) 0.036(4) 0.001(3) 0.017(3) -0.003(3) C36" 0.049(5) 0.044(4) 0.048(5) -0.006(3) 0.012(4) 0.002(3) C37" 0.063(6) 0.036(4) 0.057(5) -0.004(3) 0.027(4) -0.005(3) C38" 0.065(6) 0.037(5) 0.068(7) -0.021(5) 0.012(5) -0.026(4) C39" 0.052(6) 0.052(4) 0.102(9) -0.011(5) -0.017(6) -0.016(4) C40" 0.040(5) 0.033(4) 0.073(6) -0.001(4) 0.000(4) -0.010(3) _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 Fe1 N5 1.8184(16) . ? Fe1 N8 1.8265(16) . ? Fe1 N4 1.8352(16) . ? Fe1 N1 1.8502(16) . ? O1 C11 1.365(2) . ? O1 C14 1.422(3) . ? O2 C31 1.369(2) . ? O2 C34 1.420(3) . ? N1 N2 1.328(2) . ? N1 C1 1.444(2) . ? N2 C7 1.331(2) . ? N3 N4 1.326(2) . ? N3 C7 1.342(2) . ? N4 C15 1.441(2) . ? N5 N6 1.325(2) . ? N5 C21 1.439(2) . ? N6 C27 1.339(2) . ? N7 N8 1.328(2) . ? N7 C27 1.343(2) . ? N8 C35" 1.398(6) . ? N8 C35 1.465(7) . ? N8 C35' 1.469(7) . ? C1 C6 1.390(3) . ? C1 C2 1.392(3) . ? C2 C3 1.388(3) . ? C2 H2 0.9400 . ? C3 C4 1.375(4) . ? C3 H3 0.9400 . ? C4 C5 1.377(3) . ? C4 H4 0.9400 . ? C5 C6 1.384(3) . ? C5 H5 0.9400 . ? C6 H6 0.9400 . ? C7 C8 1.487(2) . ? C8 C9 1.391(3) . ? C8 C13 1.394(3) . ? C9 C10 1.376(3) . ? C9 H9 0.9400 . ? C10 C11 1.393(3) . ? C10 H10 0.9400 . ? C11 C12 1.387(3) . ? C12 C13 1.383(3) . ? C12 H12 0.9400 . ? C13 H13 0.9400 . ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C14 H14C 0.9700 . ? C15 C20 1.388(3) . ? C15 C16 1.389(3) . ? C16 C17 1.382(3) . ? C16 H16 0.9400 . ? C17 C18 1.383(3) . ? C17 H17 0.9400 . ? C18 C19 1.374(3) . ? C18 H18 0.9400 . ? C19 C20 1.385(3) . ? C19 H19 0.9400 . ? C20 H20 0.9400 . ? C21 C22 1.380(3) . ? C21 C26 1.386(3) . ? C22 C23 1.383(3) . ? C22 H22 0.9400 . ? C23 C24 1.381(3) . ? C23 H23 0.9400 . ? C24 C25 1.377(3) . ? C24 H24 0.9400 . ? C25 C26 1.385(3) . ? C25 H25 0.9400 . ? C26 H26 0.9400 . ? C27 C28 1.486(2) . ? C28 C29 1.390(3) . ? C28 C33 1.393(3) . ? C29 C30 1.378(3) . ? C29 H29 0.9400 . ? C30 C31 1.385(3) . ? C30 H30 0.9400 . ? C31 C32 1.378(3) . ? C32 C33 1.387(3) . ? C32 H32 0.9400 . ? C33 H33 0.9400 . ? C34 H34A 0.9700 . ? C34 H34B 0.9700 . ? C34 H34C 0.9700 . ? C35 C36 1.3900 . ? C35 C40 1.3900 . ? C36 C37 1.3900 . ? C36 H36 0.9400 . ? C37 C38 1.3900 . ? C37 H37 0.9400 . ? C38 C39 1.3900 . ? C38 H38 0.9400 . ? C39 C40 1.3900 . ? C39 H39 0.9400 . ? C40 H40 0.9400 . ? C35' C36' 1.3900 . ? C35' C40' 1.3900 . ? C36' C37' 1.3900 . ? C36' H36' 0.9400 . ? C37' C38' 1.3900 . ? C37' H37' 0.9400 . ? C38' C39' 1.3900 . ? C38' H38' 0.9400 . ? C39' C40' 1.3900 . ? C39' H39' 0.9400 . ? C40' H40' 0.9400 . ? C35" C36" 1.3900 . ? C35" C40" 1.3900 . ? C36" C37" 1.3900 . ? C36" H36" 0.9400 . ? C37" C38" 1.3900 . ? C37" H37" 0.9400 . ? C38" C39" 1.3900 . ? C38" H38" 0.9400 . ? C39" C40" 1.3900 . ? C39" H39" 0.9400 . ? C40" H40" 0.9400 . ? 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 N5 Fe1 N8 90.99(7) . . ? N5 Fe1 N4 103.05(7) . . ? N8 Fe1 N4 132.29(7) . . ? N5 Fe1 N1 129.88(7) . . ? N8 Fe1 N1 113.22(7) . . ? N4 Fe1 N1 92.14(7) . . ? C11 O1 C14 117.56(17) . . ? C31 O2 C34 117.63(18) . . ? N2 N1 C1 110.60(15) . . ? N2 N1 Fe1 127.37(13) . . ? C1 N1 Fe1 121.25(12) . . ? N1 N2 C7 120.32(16) . . ? N4 N3 C7 118.16(16) . . ? N3 N4 C15 110.65(15) . . ? N3 N4 Fe1 129.77(13) . . ? C15 N4 Fe1 119.50(12) . . ? N6 N5 C21 111.34(15) . . ? N6 N5 Fe1 130.74(13) . . ? C21 N5 Fe1 117.88(12) . . ? N5 N6 C27 119.10(16) . . ? N8 N7 C27 118.96(16) . . ? N7 N8 C35" 112.2(4) . . ? N7 N8 C35 109.9(4) . . ? N7 N8 C35' 109.4(6) . . ? N7 N8 Fe1 130.10(13) . . ? C35" N8 Fe1 116.3(4) . . ? C35 N8 Fe1 118.3(4) . . ? C35' N8 Fe1 118.9(6) . . ? C6 C1 C2 118.33(19) . . ? C6 C1 N1 121.44(17) . . ? C2 C1 N1 120.23(18) . . ? C3 C2 C1 120.3(2) . . ? C3 C2 H2 119.8 . . ? C1 C2 H2 119.8 . . ? C4 C3 C2 120.9(2) . . ? C4 C3 H3 119.6 . . ? C2 C3 H3 119.6 . . ? C3 C4 C5 119.1(2) . . ? C3 C4 H4 120.5 . . ? C5 C4 H4 120.5 . . ? C4 C5 C6 120.7(2) . . ? C4 C5 H5 119.6 . . ? C6 C5 H5 119.6 . . ? C5 C6 C1 120.7(2) . . ? C5 C6 H6 119.7 . . ? C1 C6 H6 119.7 . . ? N2 C7 N3 130.51(17) . . ? N2 C7 C8 115.17(16) . . ? N3 C7 C8 114.32(16) . . ? C9 C8 C13 118.13(17) . . ? C9 C8 C7 120.92(17) . . ? C13 C8 C7 120.95(17) . . ? C10 C9 C8 120.80(18) . . ? C10 C9 H9 119.6 . . ? C8 C9 H9 119.6 . . ? C9 C10 C11 120.40(18) . . ? C9 C10 H10 119.8 . . ? C11 C10 H10 119.8 . . ? O1 C11 C12 124.88(18) . . ? O1 C11 C10 115.43(17) . . ? C12 C11 C10 119.69(17) . . ? C13 C12 C11 119.30(18) . . ? C13 C12 H12 120.4 . . ? C11 C12 H12 120.4 . . ? C12 C13 C8 121.67(18) . . ? C12 C13 H13 119.2 . . ? C8 C13 H13 119.2 . . ? O1 C14 H14A 109.5 . . ? O1 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O1 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C20 C15 C16 119.32(19) . . ? C20 C15 N4 119.82(18) . . ? C16 C15 N4 120.86(17) . . ? C17 C16 C15 119.9(2) . . ? C17 C16 H16 120.1 . . ? C15 C16 H16 120.1 . . ? C16 C17 C18 120.7(2) . . ? C16 C17 H17 119.7 . . ? C18 C17 H17 119.7 . . ? C19 C18 C17 119.5(2) . . ? C19 C18 H18 120.3 . . ? C17 C18 H18 120.3 . . ? C18 C19 C20 120.5(2) . . ? C18 C19 H19 119.8 . . ? C20 C19 H19 119.8 . . ? C19 C20 C15 120.2(2) . . ? C19 C20 H20 119.9 . . ? C15 C20 H20 119.9 . . ? C22 C21 C26 120.05(19) . . ? C22 C21 N5 120.03(17) . . ? C26 C21 N5 119.92(17) . . ? C21 C22 C23 119.8(2) . . ? C21 C22 H22 120.1 . . ? C23 C22 H22 120.1 . . ? C24 C23 C22 120.5(2) . . ? C24 C23 H23 119.7 . . ? C22 C23 H23 119.7 . . ? C25 C24 C23 119.2(2) . . ? C25 C24 H24 120.4 . . ? C23 C24 H24 120.4 . . ? C24 C25 C26 120.9(2) . . ? C24 C25 H25 119.5 . . ? C26 C25 H25 119.5 . . ? C25 C26 C21 119.35(19) . . ? C25 C26 H26 120.3 . . ? C21 C26 H26 120.3 . . ? N6 C27 N7 129.20(17) . . ? N6 C27 C28 115.06(16) . . ? N7 C27 C28 115.74(16) . . ? C29 C28 C33 117.76(18) . . ? C29 C28 C27 120.96(18) . . ? C33 C28 C27 121.28(17) . . ? C30 C29 C28 121.0(2) . . ? C30 C29 H29 119.5 . . ? C28 C29 H29 119.5 . . ? C29 C30 C31 120.6(2) . . ? C29 C30 H30 119.7 . . ? C31 C30 H30 119.7 . . ? O2 C31 C32 125.0(2) . . ? O2 C31 C30 115.67(19) . . ? C32 C31 C30 119.35(18) . . ? C31 C32 C33 119.9(2) . . ? C31 C32 H32 120.1 . . ? C33 C32 H32 120.1 . . ? C32 C33 C28 121.36(19) . . ? C32 C33 H33 119.3 . . ? C28 C33 H33 119.3 . . ? O2 C34 H34A 109.5 . . ? O2 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O2 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C36 C35 C40 120.0 . . ? C36 C35 N8 120.8(8) . . ? C40 C35 N8 119.2(8) . . ? C37 C36 C35 120.0 . . ? C37 C36 H36 120.0 . . ? C35 C36 H36 120.0 . . ? C36 C37 C38 120.0 . . ? C36 C37 H37 120.0 . . ? C38 C37 H37 120.0 . . ? C39 C38 C37 120.0 . . ? C39 C38 H38 120.0 . . ? C37 C38 H38 120.0 . . ? C40 C39 C38 120.0 . . ? C40 C39 H39 120.0 . . ? C38 C39 H39 120.0 . . ? C39 C40 C35 120.0 . . ? C39 C40 H40 120.0 . . ? C35 C40 H40 120.0 . . ? C36' C35' C40' 120.0 . . ? C36' C35' N8 122.1(7) . . ? C40' C35' N8 117.8(7) . . ? C37' C36' C35' 120.0 . . ? C37' C36' H36' 120.0 . . ? C35' C36' H36' 120.0 . . ? C36' C37' C38' 120.0 . . ? C36' C37' H37' 120.0 . . ? C38' C37' H37' 120.0 . . ? C39' C38' C37' 120.0 . . ? C39' C38' H38' 120.0 . . ? C37' C38' H38' 120.0 . . ? C40' C39' C38' 120.0 . . ? C40' C39' H39' 120.0 . . ? C38' C39' H39' 120.0 . . ? C39' C40' C35' 120.0 . . ? C39' C40' H40' 120.0 . . ? C35' C40' H40' 120.0 . . ? C36" C35" C40" 120.0 . . ? C36" C35" N8 118.9(6) . . ? C40" C35" N8 121.1(6) . . ? C35" C36" C37" 120.0 . . ? C35" C36" H36" 120.0 . . ? C37" C36" H36" 120.0 . . ? C38" C37" C36" 120.0 . . ? C38" C37" H37" 120.0 . . ? C36" C37" H37" 120.0 . . ? C39" C38" C37" 120.0 . . ? C39" C38" H38" 120.0 . . ? C37" C38" H38" 120.0 . . ? C38" C39" C40" 120.0 . . ? C38" C39" H39" 120.0 . . ? C40" C39" H39" 120.0 . . ? C39" C40" C35" 120.0 . . ? C39" C40" H40" 120.0 . . ? C35" C40" H40" 120.0 . . ? _refine_diff_density_max 0.269 _refine_diff_density_min -0.364 _refine_diff_density_rms 0.059 _shelx_res_file ; TITL mo_molan508e_250K_0m_a.res in P2(1)/n mo_molan508e_250k_0m_a_sq.res created by SHELXL-2018/1 at 14:35:49 on 22-Oct-2018 REM Old TITL mo_molan508e_250K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.143, Rweak 0.002, Alpha 0.022, Orientation as input REM Formula found by SHELXT: C43 Fe N9 O CELL 0.71073 13.1307 16.1160 17.5545 90.000 101.154 90.000 ZERR 4.000 0.0005 0.0008 0.0008 0.000 0.002 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C N O FE H UNIT 160 32 8 4 136 TEMP -23.660 SIZE 0.080 0.360 0.620 L.S. 5 0 23 BOND $H FMAP 2 dfix 1.44 0.01 N8 C35 N8 C35' N8 C35" rigu 0.002 C35 > C40 rigu 0.002 C35' > C40' rigu 0.002 C35" > C40" sump 1 0.0001 1 2 1 3 1 4 isor 0.005 C38 c35 C35' C35" PLAN 5 ACTA ABIN WGHT 0.035700 3.049500 FVAR 0.20951 0.33838 0.30027 0.36136 FE1 4 0.662877 0.274975 0.450079 11.00000 0.02278 0.03131 = 0.03139 -0.00131 0.01196 -0.00198 O1 3 1.227092 0.255922 0.250501 11.00000 0.02543 0.07219 = 0.03991 0.01188 0.01441 0.00558 O2 3 0.101389 0.251571 0.655740 11.00000 0.03177 0.07055 = 0.06344 -0.01707 0.02794 -0.00832 N1 2 0.711817 0.334720 0.374633 11.00000 0.02049 0.02752 = 0.03438 -0.00273 0.00777 -0.00225 N2 2 0.794450 0.317933 0.344113 11.00000 0.02305 0.03098 = 0.03212 -0.00051 0.00885 -0.00091 N3 2 0.861158 0.208807 0.435529 11.00000 0.02343 0.03472 = 0.03041 0.00135 0.00940 0.00017 N4 2 0.775270 0.205034 0.464556 11.00000 0.02672 0.03120 = 0.02619 -0.00072 0.00978 -0.00296 N5 2 0.553541 0.203980 0.440836 11.00000 0.02615 0.02796 = 0.02614 0.00089 0.01131 0.00103 N6 2 0.469147 0.206511 0.471677 11.00000 0.02388 0.03376 = 0.02541 -0.00028 0.00928 -0.00152 N7 2 0.526139 0.327915 0.549722 11.00000 0.02463 0.03293 = 0.03083 -0.00191 0.01044 -0.00227 N8 2 0.607893 0.340405 0.516885 11.00000 0.02465 0.02954 = 0.03088 -0.00089 0.00804 -0.00226 C1 1 0.650747 0.400023 0.331618 11.00000 0.02570 0.02653 = 0.03493 -0.00442 0.00277 -0.00012 C2 1 0.546854 0.409871 0.336337 11.00000 0.02830 0.04677 = 0.04468 0.00229 0.00790 0.00231 AFIX 43 H2 5 0.515743 0.372732 0.366239 11.00000 -1.20000 AFIX 0 C3 1 0.488929 0.474276 0.297101 11.00000 0.03250 0.05908 = 0.05656 -0.00136 0.00599 0.01303 AFIX 43 H3 5 0.419101 0.480796 0.301333 11.00000 -1.20000 AFIX 0 C4 1 0.532370 0.528642 0.252138 11.00000 0.04570 0.03515 = 0.06201 0.00327 -0.00133 0.01145 AFIX 43 H4 5 0.492917 0.572407 0.226065 11.00000 -1.20000 AFIX 0 C5 1 0.634500 0.518089 0.245828 11.00000 0.04651 0.03707 = 0.06092 0.01141 0.00386 -0.00283 AFIX 43 H5 5 0.664413 0.554301 0.214375 11.00000 -1.20000 AFIX 0 C6 1 0.693566 0.454749 0.285295 11.00000 0.02995 0.03555 = 0.05408 0.00591 0.00730 -0.00267 AFIX 43 H6 5 0.763331 0.448679 0.280727 11.00000 -1.20000 AFIX 0 C7 1 0.863837 0.262170 0.377284 11.00000 0.02288 0.03135 = 0.02591 -0.00188 0.00541 -0.00199 C8 1 0.960163 0.257734 0.344703 11.00000 0.02415 0.02542 = 0.02766 -0.00027 0.00707 -0.00084 C9 1 0.958870 0.277311 0.267343 11.00000 0.02321 0.03489 = 0.02876 0.00094 0.00281 0.00198 AFIX 43 H9 5 0.896008 0.292481 0.234898 11.00000 -1.20000 AFIX 0 C10 1 1.048522 0.274738 0.237734 11.00000 0.03091 0.03917 = 0.02502 0.00421 0.00810 0.00311 AFIX 43 H10 5 1.046215 0.287319 0.185140 11.00000 -1.20000 AFIX 0 C11 1 1.142629 0.253607 0.285225 11.00000 0.02352 0.03165 = 0.03346 0.00011 0.01018 -0.00170 C12 1 1.145392 0.232997 0.362316 11.00000 0.02349 0.04037 = 0.03186 0.00775 0.00367 0.00336 AFIX 43 H12 5 1.208341 0.217821 0.394643 11.00000 -1.20000 AFIX 0 C13 1 1.054579 0.235013 0.391104 11.00000 0.02967 0.04351 = 0.02701 0.00867 0.00683 0.00392 AFIX 43 H13 5 1.056543 0.220702 0.443278 11.00000 -1.20000 AFIX 0 C14 1 1.325630 0.238111 0.297404 11.00000 0.02337 0.11063 = 0.06420 0.01885 0.01396 0.00550 AFIX 137 H14A 5 1.378988 0.243169 0.266415 11.00000 -1.50000 H14B 5 1.325546 0.182026 0.317444 11.00000 -1.50000 H14C 5 1.339571 0.276989 0.340344 11.00000 -1.50000 AFIX 0 C15 1 0.779631 0.136244 0.517503 11.00000 0.02655 0.02926 = 0.02812 0.00208 0.00532 -0.00513 C16 1 0.825568 0.061709 0.503146 11.00000 0.05406 0.03568 = 0.03779 -0.00086 0.01682 0.00111 AFIX 43 H16 5 0.854742 0.055724 0.458595 11.00000 -1.20000 AFIX 0 C17 1 0.828307 -0.003637 0.554474 11.00000 0.06666 0.03054 = 0.05282 0.00170 0.01444 0.00383 AFIX 43 H17 5 0.859900 -0.053864 0.544778 11.00000 -1.20000 AFIX 0 C18 1 0.785043 0.004110 0.619955 11.00000 0.05725 0.03697 = 0.04392 0.01301 0.00710 -0.00628 AFIX 43 H18 5 0.786551 -0.040754 0.654373 11.00000 -1.20000 AFIX 0 C19 1 0.739817 0.077922 0.634321 11.00000 0.04826 0.05157 = 0.03511 0.00942 0.01539 -0.00305 AFIX 43 H19 5 0.710608 0.083542 0.678893 11.00000 -1.20000 AFIX 0 C20 1 0.736979 0.144062 0.583602 11.00000 0.03604 0.03875 = 0.03344 0.00229 0.01147 0.00139 AFIX 43 H20 5 0.706094 0.194381 0.593953 11.00000 -1.20000 AFIX 0 C21 1 0.551926 0.133652 0.390078 11.00000 0.02217 0.02891 = 0.02755 -0.00093 0.00664 0.00037 C22 1 0.519547 0.057235 0.411755 11.00000 0.05521 0.03391 = 0.03700 0.00224 0.01910 -0.00333 AFIX 43 H22 5 0.495937 0.051496 0.458731 11.00000 -1.20000 AFIX 0 C23 1 0.521918 -0.010891 0.364193 11.00000 0.05860 0.02564 = 0.05742 0.00148 0.01670 -0.00356 AFIX 43 H23 5 0.501958 -0.063237 0.379835 11.00000 -1.20000 AFIX 0 C24 1 0.553358 -0.002638 0.293941 11.00000 0.04404 0.03360 = 0.05863 -0.01820 0.01920 -0.00411 AFIX 43 H24 5 0.554035 -0.048888 0.261416 11.00000 -1.20000 AFIX 0 C25 1 0.583715 0.074130 0.272068 11.00000 0.04781 0.04830 = 0.04510 -0.01532 0.02678 -0.00986 AFIX 43 H25 5 0.604641 0.080139 0.224096 11.00000 -1.20000 AFIX 0 C26 1 0.583851 0.142599 0.319739 11.00000 0.03602 0.03282 = 0.03600 -0.00256 0.01761 -0.00726 AFIX 43 H26 5 0.605383 0.194640 0.304549 11.00000 -1.20000 AFIX 0 C27 1 0.461245 0.265079 0.524304 11.00000 0.02255 0.03144 = 0.02158 0.00097 0.00415 0.00045 C28 1 0.367324 0.259170 0.559556 11.00000 0.02293 0.03300 = 0.02369 -0.00134 0.00501 0.00042 C29 1 0.335187 0.326003 0.599036 11.00000 0.03244 0.03645 = 0.04790 -0.00722 0.01753 -0.00348 AFIX 43 H29 5 0.374356 0.375213 0.604569 11.00000 -1.20000 AFIX 0 C30 1 0.246764 0.321206 0.630191 11.00000 0.03712 0.04405 = 0.05746 -0.01542 0.02387 -0.00078 AFIX 43 H30 5 0.225966 0.367275 0.656260 11.00000 -1.20000 AFIX 0 C31 1 0.188234 0.249112 0.623448 11.00000 0.02337 0.04972 = 0.03360 -0.00338 0.01142 -0.00196 C32 1 0.220616 0.181158 0.586821 11.00000 0.02873 0.04088 = 0.03567 -0.00293 0.01087 -0.00844 AFIX 43 H32 5 0.182877 0.131297 0.583583 11.00000 -1.20000 AFIX 0 C33 1 0.309016 0.186473 0.554734 11.00000 0.03031 0.03411 = 0.03250 -0.00439 0.01086 -0.00179 AFIX 43 H33 5 0.329998 0.140068 0.529216 11.00000 -1.20000 AFIX 0 C34 1 0.027721 0.186692 0.636473 11.00000 0.02940 0.08301 = 0.05100 -0.00284 0.01579 -0.01304 AFIX 137 H34A 5 0.008977 0.181432 0.580462 11.00000 -1.50000 H34B 5 -0.033769 0.199384 0.657261 11.00000 -1.50000 H34C 5 0.057636 0.134946 0.658535 11.00000 -1.50000 AFIX 66 PART 1 21.00 C35 1 0.671587 0.407985 0.556633 21.00000 0.02294 0.02382 = 0.03342 -0.00550 0.00986 -0.00487 C36 1 0.661295 0.488386 0.527496 21.00000 0.04597 0.02850 = 0.03835 -0.00218 0.01525 0.00392 AFIX 43 H36 5 0.613351 0.499849 0.481589 21.00000 -1.20000 AFIX 65 C37 1 0.721900 0.551835 0.566242 21.00000 0.04511 0.02302 = 0.04305 -0.00546 0.02391 0.00179 AFIX 43 H37 5 0.714940 0.606207 0.546538 21.00000 -1.20000 AFIX 65 C38 1 0.792796 0.534884 0.634125 21.00000 0.04957 0.04519 = 0.05170 -0.00438 0.01295 -0.00676 AFIX 43 H38 5 0.833781 0.577792 0.660327 21.00000 -1.20000 AFIX 65 C39 1 0.803089 0.454483 0.663263 21.00000 0.03039 0.04831 = 0.04178 -0.00173 0.00440 -0.00966 AFIX 43 H39 5 0.851033 0.443020 0.709170 21.00000 -1.20000 AFIX 65 C40 1 0.742485 0.391033 0.624518 21.00000 0.01205 0.03561 = 0.04279 0.00310 0.01345 -0.00186 AFIX 43 H40 5 0.749445 0.336661 0.644223 21.00000 -1.20000 AFIX 66 PART 2 31.000 C35' 1 0.671029 0.408305 0.557173 31.00000 0.02547 0.02498 = 0.03087 -0.00669 0.00777 -0.00376 C36' 1 0.688963 0.481129 0.519434 31.00000 0.04983 0.03314 = 0.03343 -0.00158 0.00585 -0.00690 AFIX 43 H36' 5 0.657373 0.489307 0.467182 31.00000 -1.20000 AFIX 65 C37' 1 0.753610 0.541860 0.558962 31.00000 0.04827 0.02728 = 0.05571 -0.00974 0.01205 -0.00449 AFIX 43 H37' 5 0.765737 0.591108 0.533441 31.00000 -1.20000 AFIX 65 C38' 1 0.800323 0.529768 0.636229 31.00000 0.05197 0.04282 = 0.05755 -0.01389 0.00338 -0.02261 AFIX 43 H38' 5 0.844041 0.570838 0.662960 31.00000 -1.20000 AFIX 65 C39' 1 0.782390 0.456944 0.673968 31.00000 0.02891 0.04565 = 0.03892 -0.01222 0.00938 -0.00578 AFIX 43 H39' 5 0.813980 0.448767 0.726221 31.00000 -1.20000 AFIX 65 C40' 1 0.717743 0.396213 0.634441 31.00000 0.01440 0.03877 = 0.03170 -0.00508 0.01194 -0.00120 AFIX 43 H40' 5 0.705616 0.346965 0.659963 31.00000 -1.20000 AFIX 66 PART 3 41.000 C35" 1 0.670202 0.405628 0.551631 41.00000 0.03449 0.04087 = 0.03592 0.00059 0.01661 -0.00273 C36" 1 0.633452 0.486424 0.539956 41.00000 0.04947 0.04396 = 0.04757 -0.00646 0.01181 0.00234 AFIX 43 H36" 5 0.568978 0.496646 0.507378 41.00000 -1.20000 AFIX 65 C37" 1 0.692040 0.552104 0.576455 41.00000 0.06308 0.03629 = 0.05743 -0.00380 0.02664 -0.00480 AFIX 43 H37" 5 0.667187 0.606743 0.568559 41.00000 -1.20000 AFIX 65 C38" 1 0.787379 0.536990 0.624629 41.00000 0.06481 0.03683 = 0.06755 -0.02064 0.01183 -0.02597 AFIX 43 H38" 5 0.827000 0.581407 0.649311 41.00000 -1.20000 AFIX 65 C39" 1 0.824131 0.456194 0.636305 41.00000 0.05210 0.05197 = 0.10238 -0.01124 -0.01746 -0.01609 AFIX 43 H39" 5 0.888606 0.445973 0.668883 41.00000 -1.20000 AFIX 65 C40" 1 0.765544 0.390513 0.599806 41.00000 0.03997 0.03308 = 0.07304 -0.00077 0.00000 -0.00977 AFIX 43 H40" 5 0.790398 0.335874 0.607702 41.00000 -1.20000 part 0 AFIX 0 HKLF 4 REM mo_molan508e_250K_0m_a.res in P2(1)/n REM R1 = 0.0397 for 5959 Fo > 4sig(Fo) and 0.0639 for all 8061 data REM 537 parameters refined using 136 restraints END WGHT 0.0357 3.0495 REM Highest difference peak 0.269, deepest hole -0.364, 1-sigma level 0.059 Q1 1 0.0096 0.2771 0.6495 11.00000 0.05 0.27 Q2 1 0.5960 0.3987 0.3197 11.00000 0.05 0.24 Q3 1 0.7891 0.1396 0.5609 11.00000 0.05 0.23 Q4 1 0.9123 0.2612 0.3593 11.00000 0.05 0.23 Q5 1 0.7131 0.3990 0.5812 11.00000 0.05 0.22 ; _shelx_res_checksum 9270 _shelx_hkl_file ; 2 0 0 258.17 4.70 2 0 0 258.67 4.70 -2 0 0 251.57 4.70 -2 0 0 237.78 4.70 3 0 0 -0.50 0.20 -3 0 0 -0.40 0.20 3 0 0 -0.40 0.20 4 0 0 364.96 6.80 -4 0 0 362.76 6.90 4 0 0 369.96 6.80 -4 0 0 363.66 6.80 -5 0 0 -0.30 0.30 5 0 0 -0.20 0.20 -5 0 0 -0.30 0.30 5 0 0 -0.10 0.20 -6 0 0 526.75 10.00 6 0 0 533.85 9.90 6 0 0 520.75 9.80 -6 0 0 535.95 10.00 7 0 0 0.10 0.30 -7 0 0 0.60 0.40 -7 0 0 0.60 0.40 7 0 0 1.10 0.40 8 0 0 90.39 2.10 -8 0 0 91.39 2.30 -8 0 0 90.89 2.40 8 0 0 90.49 2.10 -9 0 0 0.40 0.60 9 0 0 -0.20 0.40 9 0 0 0.00 0.40 -9 0 0 0.80 0.50 10 0 0 245.68 5.00 -10 0 0 254.77 5.40 10 0 0 249.18 5.10 -10 0 0 256.37 5.60 -11 0 0 0.40 0.70 11 0 0 0.30 0.50 -11 0 0 0.80 0.70 11 0 0 0.40 0.50 -12 0 0 12.40 1.60 12 0 0 12.00 0.90 -12 0 0 9.10 1.10 12 0 0 11.60 0.90 13 0 0 -0.40 0.30 13 0 0 -0.80 0.40 -13 0 0 -0.80 0.90 -13 0 0 -0.90 0.90 -14 0 0 3.90 1.20 -14 0 0 4.30 1.20 -15 0 0 -0.90 1.20 -15 0 0 0.30 1.30 -16 0 0 57.39 3.40 -16 0 0 57.69 3.40 2 -1 0 863.01 16.10 -2 -1 0 892.71 16.30 2 -1 0 828.62 16.30 -2 -1 0 896.41 16.50 -2 1 0 888.21 16.20 2 1 0 912.71 16.50 -2 1 0 881.81 16.10 2 1 0 859.01 16.00 3 -1 0 1300.37 23.50 -3 -1 0 1266.47 23.60 3 -1 0 1238.58 23.20 -3 -1 0 1222.78 23.20 3 1 0 1285.57 23.70 -3 1 0 1277.17 23.30 -3 1 0 1292.57 23.60 3 1 0 1248.28 23.20 4 -1 0 6.30 0.40 -4 -1 0 7.10 0.50 4 -1 0 6.70 0.40 -4 -1 0 6.40 0.50 4 1 0 7.30 0.50 4 1 0 7.70 0.50 -4 1 0 6.20 0.50 -4 1 0 6.70 0.50 -5 -1 0 103.19 2.30 -5 -1 0 97.19 2.30 5 -1 0 103.79 2.10 5 -1 0 100.49 2.10 -5 1 0 98.79 2.20 -5 1 0 103.39 2.20 5 1 0 102.29 2.20 5 1 0 100.59 2.20 -6 -1 0 23.20 1.00 -6 -1 0 23.10 1.00 6 -1 0 23.30 0.80 6 -1 0 23.40 0.80 6 1 0 25.00 1.00 -6 1 0 23.70 0.90 -6 1 0 24.10 1.00 6 1 0 22.20 0.90 -7 -1 0 130.59 3.10 -7 -1 0 133.99 3.00 7 -1 0 138.69 2.80 7 -1 0 134.49 2.80 7 1 0 135.89 2.90 7 1 0 132.49 2.90 -7 1 0 134.59 3.00 -7 1 0 135.39 3.00 -8 -1 0 2.00 0.50 -8 -1 0 2.50 0.50 8 -1 0 2.40 0.40 8 -1 0 1.90 0.40 8 1 0 1.70 0.40 -8 1 0 1.40 0.50 8 1 0 2.60 0.50 -8 1 0 1.40 0.50 9 -1 0 0.10 0.40 -9 -1 0 0.10 0.60 -9 -1 0 0.30 0.50 9 -1 0 0.70 0.40 9 1 0 -0.80 0.40 -9 1 0 -0.70 0.50 -9 1 0 0.40 0.50 9 1 0 0.50 0.50 -10 -1 0 49.99 1.90 10 -1 0 49.80 1.40 10 -1 0 49.10 1.40 -10 -1 0 49.10 2.00 10 1 0 48.90 1.60 10 1 0 46.90 1.60 -10 1 0 48.50 1.90 -10 1 0 47.30 1.80 -11 -1 0 -0.20 0.70 -11 -1 0 0.40 0.80 11 -1 0 0.20 0.40 11 -1 0 0.10 0.40 -11 1 0 0.30 0.70 11 1 0 -0.20 0.50 -11 1 0 0.20 0.70 11 1 0 0.00 0.50 -12 -1 0 16.90 1.70 12 -1 0 16.00 0.70 12 -1 0 17.70 0.70 -12 -1 0 17.00 1.80 -12 1 0 17.30 1.60 -12 1 0 16.00 1.60 12 1 0 16.20 1.10 12 1 0 16.50 1.10 -13 -1 0 -1.70 0.90 -13 -1 0 0.10 1.00 -13 1 0 0.40 0.90 13 1 0 0.70 0.50 -13 1 0 -0.50 0.90 13 1 0 0.60 0.50 -14 -1 0 52.49 2.60 -14 -1 0 48.20 2.80 -14 1 0 47.80 2.60 -14 1 0 48.60 2.60 14 1 0 50.19 1.30 14 1 0 47.00 1.30 -15 -1 0 4.00 1.40 -15 -1 0 3.10 1.40 -15 1 0 5.40 1.40 -15 1 0 3.10 1.40 -16 -1 0 12.50 1.90 -16 -1 0 15.00 1.90 -16 1 0 16.60 1.90 1 -2 0 25.90 0.80 -1 -2 0 25.40 0.90 1 2 0 22.90 0.80 -2 -2 0 128.99 2.60 2 -2 0 127.99 2.50 -2 -2 0 127.49 2.60 2 -2 0 126.59 2.50 -2 2 0 128.19 2.50 -2 2 0 127.89 2.50 2 2 0 126.89 2.60 2 2 0 128.59 2.60 -3 -2 0 3.70 0.50 3 -2 0 2.00 0.20 3 -2 0 2.60 0.30 -3 -2 0 3.20 0.50 3 2 0 3.10 0.50 -3 2 0 2.10 0.40 -3 2 0 1.80 0.30 3 2 0 3.00 0.50 -4 -2 0 290.57 5.70 4 -2 0 291.07 5.40 -4 -2 0 295.27 5.60 4 -2 0 285.87 5.40 4 2 0 293.07 5.60 -4 2 0 289.27 5.50 4 2 0 294.57 5.60 -4 2 0 288.67 5.50 -5 -2 0 151.58 3.30 5 -2 0 155.48 3.00 5 -2 0 151.48 3.00 -5 -2 0 149.99 3.20 5 2 0 156.98 3.20 -5 2 0 153.38 3.10 5 2 0 155.28 3.20 -5 2 0 154.28 3.10 -6 -2 0 35.00 1.20 -6 -2 0 36.50 1.30 6 -2 0 36.10 1.00 6 -2 0 36.80 1.00 6 2 0 35.60 1.20 -6 2 0 35.40 1.10 -6 2 0 34.60 1.10 6 2 0 36.90 1.20 -7 -2 0 189.18 4.00 -7 -2 0 190.78 4.20 7 -2 0 185.98 3.70 7 -2 0 188.08 3.70 -7 2 0 190.68 4.00 7 2 0 188.28 4.00 -7 2 0 188.18 3.90 7 2 0 185.58 4.00 -8 -2 0 1.50 0.50 -8 -2 0 1.50 0.60 8 -2 0 1.40 0.30 8 -2 0 1.90 0.30 8 2 0 1.80 0.50 -8 2 0 1.60 0.50 8 2 0 1.50 0.50 -8 2 0 2.70 0.50 9 -2 0 0.50 0.30 9 -2 0 0.60 0.30 -9 -2 0 0.80 0.60 -9 -2 0 1.70 0.70 -9 2 0 0.20 0.50 9 2 0 0.90 0.50 9 2 0 0.10 0.50 -9 2 0 -0.10 0.50 10 -2 0 173.88 3.50 -10 -2 0 175.08 4.30 10 -2 0 170.98 3.50 -10 -2 0 174.78 4.10 -10 2 0 173.88 4.00 10 2 0 174.58 3.90 -10 2 0 174.28 4.10 10 2 0 174.08 3.90 11 -2 0 24.90 0.80 -11 -2 0 22.30 1.80 -11 -2 0 24.70 1.70 11 -2 0 24.80 0.80 -11 2 0 27.80 1.60 11 2 0 24.00 1.40 11 2 0 22.80 1.40 -11 2 0 26.40 1.60 -12 -2 0 2.50 0.90 -12 2 0 1.90 0.90 -12 2 0 1.70 0.80 12 2 0 1.30 0.60 12 2 0 2.00 0.70 -13 -2 0 1.10 1.10 -13 -2 0 2.00 1.10 13 2 0 0.50 0.60 13 2 0 0.00 0.60 -13 2 0 1.30 1.10 -13 2 0 0.90 0.90 -14 -2 0 5.40 1.30 -14 2 0 3.40 1.10 14 2 0 4.40 0.70 -14 2 0 3.40 1.20 14 2 0 3.50 0.70 -15 -2 0 0.40 1.30 -15 -2 0 0.00 1.30 -15 2 0 0.40 1.30 -15 2 0 -0.40 1.20 -16 -2 0 32.90 3.10 -16 -2 0 28.40 3.20 -16 2 0 28.30 2.80 -16 2 0 29.10 2.90 1 -3 0 88.49 1.90 -1 -3 0 88.29 2.00 1 -3 0 91.09 1.90 -1 -3 0 91.19 1.90 1 3 0 88.99 1.90 -1 3 0 87.29 1.90 -1 3 0 89.99 1.90 1 3 0 89.29 2.00 -2 -3 0 15.80 0.70 2 -3 0 14.30 0.50 -2 -3 0 14.40 0.70 2 -3 0 14.10 0.50 -2 3 0 14.60 0.60 2 3 0 14.50 0.70 2 3 0 15.40 0.70 -2 3 0 14.40 0.60 3 -3 0 0.90 0.20 -3 -3 0 0.50 0.30 3 -3 0 0.60 0.20 -3 -3 0 0.50 0.30 3 3 0 1.00 0.30 -3 3 0 0.10 0.20 3 3 0 0.70 0.30 -3 3 0 0.40 0.20 4 -3 0 171.28 3.30 -4 -3 0 173.78 3.60 4 -3 0 173.68 3.40 -4 -3 0 167.68 3.60 -4 3 0 175.58 3.40 4 3 0 173.78 3.60 -4 3 0 173.78 3.40 4 3 0 171.68 3.60 -5 -3 0 13.10 0.80 5 -3 0 11.70 0.60 5 -3 0 11.30 0.50 -5 -3 0 11.40 0.80 -5 3 0 11.10 0.70 -5 3 0 10.70 0.60 5 3 0 13.00 0.80 5 3 0 11.20 0.80 6 -3 0 15.90 0.60 -6 -3 0 17.30 1.10 6 -3 0 17.10 0.70 -6 -3 0 17.20 0.90 6 3 0 15.80 0.90 6 3 0 17.60 0.90 -6 3 0 16.60 0.80 -6 3 0 16.30 0.80 -7 -3 0 30.90 1.40 7 -3 0 32.30 1.00 7 -3 0 31.60 0.90 -7 -3 0 31.60 1.30 -7 3 0 33.10 1.20 7 3 0 31.60 1.30 -7 3 0 32.20 1.20 7 3 0 32.50 1.30 -8 -3 0 2.10 0.60 8 -3 0 2.70 0.30 -8 -3 0 2.60 0.60 8 -3 0 2.40 0.30 -8 3 0 2.40 0.50 -8 3 0 2.50 0.50 8 3 0 1.30 0.50 8 3 0 2.00 0.60 -9 -3 0 1.90 0.70 9 -3 0 2.10 0.30 9 -3 0 2.20 0.30 -9 -3 0 1.50 0.70 -9 3 0 2.00 0.60 9 3 0 0.70 0.60 9 3 0 2.00 0.60 -9 3 0 1.40 0.60 -10 -3 0 55.59 2.10 10 -3 0 53.09 1.30 -10 -3 0 57.59 2.30 10 -3 0 52.69 1.30 10 3 0 55.89 1.90 -10 3 0 53.79 2.00 -10 3 0 55.09 2.00 10 3 0 51.79 1.90 -11 -3 0 3.50 0.90 -11 -3 0 3.50 1.00 -11 3 0 5.00 0.80 11 3 0 3.30 0.70 -11 3 0 4.80 0.80 11 3 0 5.20 0.80 -12 -3 0 4.10 1.00 -12 -3 0 3.00 1.10 -12 3 0 5.00 0.90 12 3 0 4.20 0.80 12 3 0 3.60 0.80 -12 3 0 5.10 0.90 -13 -3 0 16.60 2.00 -13 -3 0 18.40 2.10 13 3 0 18.40 1.40 -13 3 0 17.70 2.00 13 3 0 18.70 1.50 -13 3 0 19.60 1.80 -14 -3 0 28.90 2.50 -14 -3 0 26.60 2.40 -14 3 0 22.40 2.10 14 3 0 28.10 1.60 14 3 0 26.30 1.50 -14 3 0 27.30 2.30 -15 -3 0 11.30 1.80 -15 -3 0 18.50 1.90 15 3 0 16.30 1.30 15 3 0 17.20 1.30 -15 3 0 15.00 1.70 -15 3 0 14.40 1.90 -16 -3 0 3.60 1.80 -16 -3 0 2.90 1.70 -16 3 0 1.20 1.50 -16 3 0 1.20 1.50 0 -4 0 4371.76 84.59 0 -4 0 4711.03 85.19 0 4 0 4561.84 84.79 0 4 0 4912.71 85.19 -1 -4 0 217.18 4.40 -1 -4 0 221.58 4.30 1 -4 0 220.38 4.20 -1 4 0 216.58 4.30 1 4 0 220.68 4.40 -1 4 0 215.18 4.30 1 4 0 215.08 4.30 2 -4 0 67.59 1.60 -2 -4 0 70.29 1.70 2 -4 0 65.89 1.50 -2 -4 0 68.99 1.80 2 4 0 70.29 1.80 2 4 0 67.49 1.70 -2 4 0 68.89 1.60 -2 4 0 68.19 1.60 -3 -4 0 2.30 0.40 -3 -4 0 1.40 0.40 3 -4 0 2.50 0.30 3 -4 0 2.20 0.30 -3 4 0 2.10 0.30 3 4 0 2.30 0.40 -3 4 0 2.40 0.30 3 4 0 2.50 0.40 -4 -4 0 174.98 3.90 4 -4 0 179.68 3.50 4 -4 0 178.08 3.50 -4 -4 0 184.98 3.80 -4 4 0 176.38 3.60 4 4 0 178.08 3.80 -4 4 0 180.78 3.60 4 4 0 176.68 3.80 -5 -4 0 3.60 0.50 5 -4 0 2.90 0.30 5 -4 0 3.80 0.40 -5 -4 0 2.20 0.60 -5 4 0 2.50 0.40 5 4 0 2.60 0.50 5 4 0 2.90 0.50 -5 4 0 3.30 0.40 -6 -4 0 487.25 9.70 6 -4 0 474.95 9.10 -6 -4 0 511.65 9.60 6 -4 0 489.25 9.20 -6 4 0 496.75 9.40 -6 4 0 499.65 9.40 6 4 0 498.25 9.60 6 4 0 506.85 9.60 7 -4 0 110.39 2.30 -7 -4 0 112.09 2.90 -7 -4 0 109.49 2.80 7 -4 0 110.99 2.30 7 4 0 109.29 2.70 -7 4 0 114.69 2.60 7 4 0 111.09 2.80 -7 4 0 112.09 2.60 8 -4 0 17.90 0.70 -8 -4 0 20.70 1.30 8 -4 0 16.70 0.60 -8 -4 0 17.70 1.40 -8 4 0 17.80 1.10 -8 4 0 17.00 1.10 8 4 0 19.30 1.20 8 4 0 18.70 1.20 -9 -4 0 0.00 0.70 9 -4 0 0.30 0.30 -9 -4 0 0.20 0.60 9 -4 0 0.20 0.20 -9 4 0 -0.30 0.50 9 4 0 0.40 0.60 -9 4 0 -0.40 0.50 9 4 0 0.00 0.60 -10 -4 0 87.89 2.90 -10 -4 0 96.19 2.80 -10 4 0 88.39 2.60 10 4 0 92.99 2.60 10 4 0 92.09 2.60 -10 4 0 91.09 2.60 -11 -4 0 33.00 2.10 -11 -4 0 36.40 3.20 11 4 0 38.60 1.80 11 4 0 36.70 1.80 -11 4 0 39.00 1.80 -11 4 0 37.40 1.80 -12 -4 0 2.40 1.10 -12 -4 0 1.80 1.00 -12 4 0 1.90 0.90 12 4 0 1.60 0.80 12 4 0 2.60 0.80 -12 4 0 1.80 0.80 -13 -4 0 20.50 2.10 -13 -4 0 21.00 2.10 -13 4 0 23.80 1.90 13 4 0 19.70 1.60 13 4 0 20.10 1.60 -13 4 0 22.50 2.20 -14 -4 0 -1.80 1.30 -14 -4 0 1.10 1.30 14 4 0 1.50 0.80 14 4 0 1.30 0.80 -14 4 0 0.20 1.10 -14 4 0 1.20 1.00 -15 -4 0 14.10 2.00 -15 -4 0 9.90 1.70 15 4 0 14.10 1.50 -15 4 0 12.50 1.70 -15 4 0 7.60 1.50 15 4 0 12.50 1.60 -16 -4 0 1.50 1.80 -16 -4 0 1.30 1.70 16 4 0 2.50 0.70 16 4 0 1.60 0.80 -16 4 0 1.50 1.40 -16 4 0 0.80 1.50 0 -5 0 0.00 0.30 0 -5 0 0.20 0.40 0 5 0 -0.50 0.40 0 5 0 0.00 0.30 -1 -5 0 42.10 1.40 1 -5 0 46.50 1.30 1 -5 0 46.70 1.30 -1 -5 0 46.00 1.30 1 5 0 43.30 1.30 -1 5 0 45.30 1.30 -1 5 0 48.60 1.40 1 5 0 49.20 1.50 2 -5 0 23.90 0.90 -2 -5 0 24.10 0.90 2 -5 0 23.60 0.90 -2 -5 0 24.30 1.10 -2 5 0 25.00 1.00 -2 5 0 24.60 0.90 2 5 0 23.40 1.00 2 5 0 24.90 1.00 -3 -5 0 323.57 6.30 3 -5 0 322.17 6.10 -3 -5 0 324.97 6.50 3 -5 0 314.37 6.10 -3 5 0 323.47 6.30 -3 5 0 322.27 6.20 3 5 0 323.87 6.40 3 5 0 321.27 6.40 4 -5 0 432.66 8.30 4 -5 0 443.56 8.30 -4 -5 0 453.25 8.80 -4 -5 0 445.46 8.60 4 5 0 445.46 8.60 -4 5 0 443.76 8.50 4 5 0 454.25 8.70 -4 5 0 448.56 8.50 -5 -5 0 7.00 0.80 5 -5 0 6.30 0.60 -5 -5 0 6.10 0.70 5 -5 0 6.90 0.50 -5 5 0 8.00 0.70 -5 5 0 7.60 0.70 5 5 0 6.90 0.70 5 5 0 6.80 0.90 -6 -5 0 7.60 0.80 6 -5 0 8.40 0.50 6 -5 0 6.90 0.60 -6 -5 0 8.50 1.10 6 5 0 9.10 1.00 6 5 0 5.60 0.70 -6 5 0 7.60 0.80 -6 5 0 8.00 0.80 7 -5 0 115.99 2.40 -7 -5 0 116.79 3.20 7 -5 0 113.79 2.40 -7 -5 0 117.49 3.00 7 5 0 116.49 3.00 7 5 0 115.89 2.90 -7 5 0 116.99 2.70 -7 5 0 118.69 2.80 8 -5 0 0.10 0.20 -8 -5 0 0.30 0.60 8 -5 0 0.10 0.20 -8 -5 0 0.00 0.70 -8 5 0 0.60 0.50 8 5 0 0.00 0.60 8 5 0 -0.10 0.60 -8 5 0 -0.90 0.50 -9 -5 0 5.30 0.90 -9 -5 0 3.60 0.90 -9 5 0 4.60 0.70 9 5 0 4.80 0.80 -9 5 0 4.40 0.70 9 5 0 4.50 0.80 -10 -5 0 98.79 3.20 -10 -5 0 96.79 3.00 10 5 0 96.29 2.80 -10 5 0 100.19 2.80 10 5 0 98.49 2.80 -10 5 0 95.19 2.70 -11 -5 0 0.20 0.90 -11 -5 0 2.30 1.00 11 5 0 0.40 0.80 11 5 0 0.70 0.80 -11 5 0 0.00 0.70 -11 5 0 0.60 0.70 -12 -5 0 5.10 1.20 -12 -5 0 6.90 1.20 -12 5 0 5.50 0.90 -12 5 0 6.90 1.10 12 5 0 6.20 1.00 12 5 0 4.70 1.00 -13 -5 0 56.09 2.80 -13 -5 0 50.49 2.90 13 5 0 49.40 2.20 -13 5 0 51.99 2.40 -13 5 0 49.20 2.50 13 5 0 51.79 2.20 -14 -5 0 11.00 1.80 -14 -5 0 7.70 1.50 14 5 0 9.80 1.20 14 5 0 10.30 1.20 -14 5 0 8.80 1.20 -14 5 0 8.50 1.40 -15 -5 0 7.40 1.70 -15 -5 0 8.50 1.90 -15 5 0 7.00 1.50 15 5 0 7.40 1.10 15 5 0 7.40 1.10 -15 5 0 7.40 1.40 -16 -5 0 -1.70 1.70 -16 -5 0 -2.60 1.90 16 5 0 0.20 0.90 16 5 0 -0.30 1.20 -16 5 0 -0.10 1.40 -16 5 0 0.10 1.60 0 -6 0 219.28 4.60 0 -6 0 222.18 4.50 0 6 0 224.08 4.70 0 6 0 221.58 4.60 -1 -6 0 66.09 1.80 -1 -6 0 66.99 1.90 1 -6 0 65.59 1.70 1 -6 0 66.29 1.80 1 6 0 66.19 1.90 -1 6 0 65.49 1.90 1 6 0 65.69 1.80 -1 6 0 63.49 1.70 -2 -6 0 5.10 0.70 2 -6 0 4.40 0.50 -2 -6 0 5.20 0.60 2 -6 0 5.70 0.60 -2 6 0 4.90 0.50 2 6 0 4.60 0.60 -2 6 0 5.00 0.60 2 6 0 4.30 0.50 3 -6 0 -0.20 0.30 3 -6 0 0.30 0.30 -3 -6 0 -0.20 0.50 -3 -6 0 0.20 0.50 3 6 0 0.20 0.40 3 6 0 0.10 0.50 -3 6 0 -0.10 0.40 -4 -6 0 288.67 5.80 -4 -6 0 286.67 6.00 4 -6 0 281.17 5.50 4 -6 0 287.87 5.50 -4 6 0 283.57 5.70 4 6 0 287.47 5.90 -4 6 0 279.37 5.70 4 6 0 281.77 5.80 -5 -6 0 54.49 2.00 5 -6 0 55.39 1.50 -5 -6 0 57.09 1.80 5 -6 0 58.59 1.40 -5 6 0 55.79 1.60 5 6 0 58.99 1.90 5 6 0 55.69 1.80 -5 6 0 58.59 1.70 6 -6 0 76.09 1.80 -6 -6 0 76.89 2.40 6 -6 0 75.19 1.70 -6 -6 0 74.59 2.20 -6 6 0 77.89 2.00 -6 6 0 78.09 2.10 6 6 0 74.69 2.20 6 6 0 74.79 2.20 -7 -6 0 125.09 3.40 -7 -6 0 127.59 3.20 7 -6 0 121.59 2.60 7 -6 0 121.69 2.50 7 6 0 125.29 3.20 7 6 0 122.39 3.20 -7 6 0 126.89 3.00 -7 6 0 120.99 2.90 -8 -6 0 1.30 0.70 8 -6 0 0.80 0.30 8 -6 0 1.50 0.30 -8 -6 0 1.30 0.80 8 6 0 0.40 0.70 8 6 0 0.70 0.60 -8 6 0 0.70 0.50 -8 6 0 1.20 0.60 -9 -6 0 10.30 1.20 -9 -6 0 14.70 1.40 -9 6 0 11.00 1.20 9 6 0 12.20 1.40 -9 6 0 11.20 1.20 9 6 0 13.50 1.40 -10 -6 0 117.19 3.70 -10 6 0 119.09 3.20 10 6 0 120.59 3.30 10 6 0 120.99 3.40 -10 6 0 119.19 3.20 -11 -6 0 5.30 1.10 -11 -6 0 6.80 1.30 11 6 0 6.80 1.10 11 6 0 5.60 1.00 -11 6 0 7.40 1.00 -11 6 0 6.70 0.90 -12 -6 0 15.60 2.00 -12 -6 0 11.70 2.30 12 6 0 15.30 1.70 12 6 0 17.70 1.80 -12 6 0 13.70 1.70 -12 6 0 16.10 1.70 -13 -6 0 6.60 1.50 -13 -6 0 5.40 1.40 -13 6 0 5.70 1.10 -13 6 0 5.30 1.20 13 6 0 6.00 1.10 13 6 0 5.30 1.10 -14 -6 0 3.10 1.50 -14 -6 0 2.20 1.60 14 6 0 3.50 1.00 -14 6 0 4.30 1.30 14 6 0 2.30 1.10 -14 6 0 2.10 1.10 -15 -6 0 -1.70 1.70 -15 -6 0 -2.60 1.50 -15 6 0 1.30 1.30 -15 6 0 1.00 1.30 15 6 0 -0.30 1.10 15 6 0 1.00 1.00 0 -7 0 -0.40 0.40 0 -7 0 -0.60 0.40 0 7 0 -0.70 0.40 0 7 0 -0.40 0.50 -1 -7 0 7.00 0.80 1 -7 0 6.90 0.70 1 -7 0 8.30 0.80 -1 -7 0 7.40 0.80 -1 7 0 6.80 0.80 1 7 0 7.80 1.00 -1 7 0 8.10 0.90 1 7 0 7.60 0.80 -2 -7 0 312.07 6.40 2 -7 0 307.97 6.10 2 -7 0 304.67 6.10 -2 -7 0 316.17 6.20 2 7 0 304.27 6.30 2 7 0 301.87 6.40 -2 7 0 302.37 6.20 -2 7 0 313.97 6.30 -3 -7 0 254.67 5.20 3 -7 0 249.48 5.00 -3 -7 0 240.98 5.40 3 -7 0 251.37 5.00 -3 7 0 250.77 5.10 3 7 0 249.58 5.30 3 7 0 244.18 5.30 -3 7 0 251.77 5.20 -4 -7 0 134.59 3.60 4 -7 0 140.09 3.00 -4 -7 0 143.29 3.40 4 -7 0 144.99 3.10 -4 7 0 146.79 3.30 4 7 0 140.09 3.50 -4 7 0 144.09 3.20 4 7 0 145.19 3.50 -5 -7 0 -0.40 0.60 5 -7 0 0.30 0.30 5 -7 0 0.00 0.30 -5 7 0 -0.40 0.40 5 7 0 -0.80 0.50 5 7 0 -0.20 0.60 -5 7 0 -0.60 0.40 6 -7 0 -0.10 0.30 -6 -7 0 -0.40 0.60 6 -7 0 -0.10 0.30 -6 -7 0 0.10 0.70 -6 7 0 0.20 0.50 6 7 0 0.00 0.60 -6 7 0 -0.80 0.50 6 7 0 -0.80 0.60 7 -7 0 47.20 1.30 -7 -7 0 47.40 1.90 7 -7 0 45.20 1.20 -7 -7 0 43.60 2.10 7 7 0 48.80 1.90 -7 7 0 47.20 1.70 -7 7 0 48.10 1.70 7 7 0 46.00 1.90 -8 -7 0 15.50 1.50 8 -7 0 18.70 0.70 8 -7 0 17.00 0.60 -8 -7 0 19.00 1.60 8 7 0 17.30 1.50 -8 7 0 17.50 1.30 -8 7 0 18.30 1.30 8 7 0 17.30 1.50 -9 -7 0 117.79 3.70 -9 -7 0 117.19 3.50 -9 7 0 117.19 3.10 9 7 0 123.99 3.40 -9 7 0 121.09 3.20 9 7 0 123.39 3.40 -10 -7 0 50.49 2.40 -10 -7 0 51.89 2.70 -10 7 0 48.50 2.00 10 7 0 50.59 2.20 -10 7 0 49.60 2.10 10 7 0 52.49 2.30 -11 -7 0 2.00 1.10 -11 -7 0 0.50 1.00 -11 7 0 0.00 0.80 -11 7 0 0.20 0.80 11 7 0 0.90 0.90 11 7 0 1.30 0.90 -12 -7 0 6.60 1.30 -12 -7 0 10.30 1.60 -12 7 0 7.60 1.30 -12 7 0 7.00 1.00 12 7 0 7.80 1.20 12 7 0 10.60 1.30 -13 -7 0 33.50 2.90 -13 -7 0 28.00 2.50 -13 7 0 33.90 2.20 -13 7 0 31.40 2.30 13 7 0 31.60 2.30 13 7 0 32.80 2.20 -14 -7 0 9.80 1.70 -14 -7 0 9.80 1.90 14 7 0 10.80 1.40 -14 7 0 10.90 1.50 14 7 0 10.50 1.40 -14 7 0 9.60 1.30 -15 -7 0 2.40 1.70 -15 -7 0 5.70 2.10 15 7 0 4.40 1.30 -15 7 0 2.30 1.50 -15 7 0 0.90 1.30 15 7 0 4.60 1.20 0 -8 0 67.39 1.90 0 -8 0 68.19 2.10 0 8 0 68.09 2.20 0 8 0 64.89 2.00 1 -8 0 117.79 2.90 -1 -8 0 115.99 2.80 1 -8 0 119.59 2.80 -1 -8 0 117.29 3.10 -1 8 0 115.49 3.00 1 8 0 116.49 2.90 -1 8 0 118.29 2.90 1 8 0 114.99 3.10 2 -8 0 4.60 0.60 -2 -8 0 4.10 0.70 -2 -8 0 4.30 0.60 2 -8 0 4.20 0.60 -2 8 0 4.50 0.70 2 8 0 3.50 0.70 2 8 0 4.80 0.70 -2 8 0 5.10 0.70 -3 -8 0 3.90 0.70 3 -8 0 4.20 0.60 3 -8 0 5.20 0.60 -3 -8 0 4.50 0.80 3 8 0 4.00 0.70 -3 8 0 4.10 0.70 -3 8 0 4.50 0.60 3 8 0 5.20 0.80 -4 -8 0 192.48 4.60 4 -8 0 196.08 4.00 -4 -8 0 195.48 4.40 4 -8 0 190.88 4.00 4 8 0 186.48 4.40 -4 8 0 193.48 4.30 -4 8 0 189.88 4.20 4 8 0 192.18 4.40 5 -8 0 90.99 2.20 -5 -8 0 91.39 2.90 5 -8 0 88.29 2.10 -5 -8 0 96.89 2.70 5 8 0 89.29 2.70 -5 8 0 93.19 2.50 5 8 0 91.29 2.60 -5 8 0 90.79 2.50 -6 -8 0 1.10 0.70 6 -8 0 1.40 0.40 6 -8 0 0.90 0.40 -6 -8 0 0.70 0.80 6 8 0 1.30 0.70 -6 8 0 -0.20 0.60 -6 8 0 1.00 0.60 6 8 0 -0.90 0.70 7 -8 0 123.79 2.70 -7 -8 0 127.89 3.70 -7 -8 0 129.59 3.40 7 -8 0 125.89 2.70 -7 8 0 134.69 3.20 7 8 0 125.09 3.40 -7 8 0 126.29 3.30 7 8 0 122.39 3.40 -8 -8 0 0.50 0.90 -8 -8 0 0.10 0.80 8 -8 0 0.60 0.30 8 -8 0 0.20 0.30 -8 8 0 0.40 0.70 -8 8 0 -0.80 0.60 8 8 0 0.40 0.80 8 8 0 0.60 0.80 -9 -8 0 42.00 2.20 -9 -8 0 39.30 2.40 9 8 0 44.50 2.20 -9 8 0 39.90 1.90 9 8 0 43.20 2.10 -9 8 0 37.40 1.80 -10 -8 0 49.20 2.70 -10 -8 0 51.19 2.50 -10 8 0 50.39 2.20 10 8 0 51.69 2.40 10 8 0 46.70 2.30 -10 8 0 52.39 2.10 -11 -8 0 84.49 3.20 -11 8 0 86.79 2.90 11 8 0 82.39 3.00 11 8 0 84.09 3.00 -11 8 0 82.79 2.70 -12 -8 0 -1.10 1.20 -12 -8 0 1.60 1.40 -12 8 0 0.30 1.20 -12 8 0 0.60 0.90 12 8 0 -0.40 1.10 -13 -8 0 26.70 3.10 -13 -8 0 24.60 2.70 -13 8 0 27.90 2.10 -13 8 0 35.70 2.50 13 8 0 25.90 2.30 13 8 0 32.60 2.50 -14 -8 0 0.80 1.80 -14 -8 0 -2.60 1.50 14 8 0 0.70 1.10 14 8 0 -1.00 1.30 -14 8 0 -0.70 1.30 -15 -8 0 2.40 2.00 -15 -8 0 0.50 1.90 15 8 0 2.90 1.30 15 8 0 3.30 1.50 -15 8 0 1.60 1.30 -15 8 0 1.40 1.60 0 -9 0 -0.40 0.50 0 -9 0 -0.70 0.60 0 9 0 -0.70 0.50 0 9 0 -0.60 0.60 -1 -9 0 9.60 1.20 1 -9 0 9.60 1.00 -1 -9 0 9.40 1.00 1 -9 0 11.10 1.10 1 9 0 8.80 1.10 1 9 0 9.60 1.10 -1 9 0 7.70 0.90 -1 9 0 7.60 0.80 2 -9 0 15.90 1.10 -2 -9 0 16.90 1.10 2 -9 0 14.80 1.10 -2 -9 0 15.80 1.40 -2 9 0 14.70 1.10 2 9 0 14.60 1.20 2 9 0 15.50 1.40 -2 9 0 17.10 1.30 -3 -9 0 361.76 7.80 3 -9 0 363.86 7.20 3 -9 0 356.76 7.20 -3 -9 0 371.86 7.50 -3 9 0 363.26 7.60 3 9 0 371.06 7.60 -3 9 0 370.76 7.40 3 9 0 365.26 7.70 4 -9 0 105.29 2.50 -4 -9 0 100.09 3.20 -4 -9 0 105.19 2.90 4 -9 0 106.39 2.60 4 9 0 106.59 3.10 -4 9 0 104.89 2.80 4 9 0 105.49 3.00 -4 9 0 105.09 2.90 -5 -9 0 15.30 1.50 5 -9 0 15.80 1.00 -5 -9 0 15.80 1.30 5 -9 0 15.60 1.00 5 9 0 15.20 1.40 -5 9 0 13.90 1.40 -5 9 0 14.60 1.20 5 9 0 14.30 1.30 -6 -9 0 1.20 0.90 6 -9 0 1.90 0.50 6 -9 0 1.70 0.40 -6 -9 0 2.10 0.80 6 9 0 1.40 0.80 -6 9 0 2.40 0.80 6 9 0 1.00 0.80 -6 9 0 2.00 0.70 -7 -9 0 77.09 2.70 7 -9 0 74.69 1.90 -7 -9 0 75.19 2.80 7 -9 0 72.09 1.80 7 9 0 74.39 2.60 -7 9 0 78.19 2.40 -7 9 0 72.89 2.40 7 9 0 78.69 2.70 8 -9 0 31.50 0.90 -8 -9 0 31.40 2.20 -8 -9 0 33.20 2.00 8 -9 0 31.50 1.00 -8 9 0 30.60 1.60 8 9 0 29.00 1.90 -8 9 0 32.90 1.80 8 9 0 30.20 1.90 -9 -9 0 28.10 2.10 -9 -9 0 27.70 2.00 -9 9 0 28.50 1.80 9 9 0 28.40 2.00 -9 9 0 27.30 1.70 9 9 0 29.80 2.00 -10 -9 0 11.50 2.70 -10 -9 0 12.90 1.40 -10 9 0 18.50 1.60 -10 9 0 15.90 1.80 10 9 0 15.60 1.90 -11 -9 0 3.80 1.50 -11 -9 0 4.20 1.30 11 9 0 2.30 1.10 -11 9 0 2.60 1.50 11 9 0 2.30 1.20 -11 9 0 2.20 0.90 -12 -9 0 2.00 1.50 -12 -9 0 1.20 1.30 -12 9 0 0.10 1.00 -12 9 0 1.30 1.10 12 9 0 2.20 1.20 12 9 0 0.70 1.20 -13 -9 0 53.79 3.70 -13 -9 0 55.49 3.20 -13 9 0 55.19 2.60 13 9 0 55.39 2.90 -13 9 0 53.79 3.00 13 9 0 52.29 3.00 -14 -9 0 -3.20 1.60 -14 -9 0 -3.80 1.80 -14 9 0 0.90 1.40 14 9 0 -0.30 1.50 -14 9 0 0.10 1.20 0 -10 0 53.29 1.80 0 -10 0 57.89 2.10 0 10 0 55.29 2.20 0 10 0 53.49 2.00 1 -10 0 19.90 1.40 -1 -10 0 18.20 1.50 -1 -10 0 19.80 1.20 1 -10 0 20.50 1.20 -1 10 0 19.00 1.30 1 10 0 20.20 1.30 -1 10 0 20.50 1.60 1 10 0 21.50 1.60 2 -10 0 1.30 0.70 -2 -10 0 0.80 0.80 -2 -10 0 1.40 0.70 2 -10 0 1.60 0.60 -2 10 0 1.50 0.70 2 10 0 1.50 0.70 -2 10 0 1.80 0.80 2 10 0 1.80 0.80 -3 -10 0 0.80 0.80 3 -10 0 1.30 0.60 -3 -10 0 2.00 0.70 3 -10 0 1.70 0.60 3 10 0 0.10 0.70 3 10 0 0.80 0.90 -3 10 0 1.30 0.80 -3 10 0 0.50 0.60 4 -10 0 4.20 0.60 -4 -10 0 4.40 0.90 4 -10 0 4.90 0.70 -4 -10 0 3.20 1.00 4 10 0 4.70 0.90 -4 10 0 3.90 0.90 4 10 0 4.20 1.00 -4 10 0 5.50 0.80 -5 -10 0 204.58 5.10 5 -10 0 194.78 4.20 -5 -10 0 199.78 4.70 5 -10 0 192.78 4.20 5 10 0 192.28 4.70 5 10 0 202.38 4.90 -5 10 0 196.28 4.70 -5 10 0 193.58 4.50 -6 -10 0 6.50 1.00 -6 -10 0 6.40 1.10 6 -10 0 8.20 0.90 6 -10 0 8.30 0.90 -6 10 0 6.40 0.90 6 10 0 6.30 1.00 6 10 0 7.10 1.10 -6 10 0 6.80 1.00 7 -10 0 27.70 1.10 7 -10 0 28.80 1.10 -7 -10 0 31.10 2.00 -7 -10 0 26.00 2.00 -7 10 0 26.10 1.60 7 10 0 28.90 2.00 7 10 0 26.60 1.80 -8 -10 0 1.20 1.10 8 -10 0 0.50 0.40 -8 -10 0 0.20 0.90 8 -10 0 0.70 0.30 -8 10 0 0.90 0.80 -8 10 0 0.80 0.90 8 10 0 0.10 0.90 -9 -10 0 3.70 1.40 -9 -10 0 1.50 1.10 9 10 0 0.40 1.10 -9 10 0 1.60 0.90 9 10 0 1.10 1.00 -9 10 0 2.40 0.90 -10 -10 0 8.80 1.40 -10 -10 0 8.10 1.60 10 10 0 9.30 1.40 10 10 0 7.90 1.40 -10 10 0 8.70 1.20 -10 10 0 9.50 1.20 -11 -10 0 129.79 4.30 -11 -10 0 128.69 4.70 -11 10 0 129.79 3.80 11 10 0 131.49 4.10 11 10 0 131.59 4.10 -11 10 0 136.89 4.10 -12 -10 0 1.50 1.40 -12 -10 0 -2.20 1.60 12 10 0 1.40 2.30 -12 10 0 -0.60 1.00 12 10 0 0.30 1.20 -12 10 0 0.10 1.20 -13 -10 0 40.90 3.70 -13 -10 0 29.40 2.90 13 10 0 36.20 2.80 -13 10 0 40.30 2.90 -14 -10 0 0.00 2.00 -14 -10 0 0.70 2.10 14 10 0 2.40 1.50 -14 10 0 1.40 1.30 -14 10 0 2.80 1.60 0 -11 0 0.10 0.70 0 -11 0 0.50 0.70 0 11 0 -0.70 0.80 0 11 0 -0.40 0.70 -1 -11 0 4.60 0.80 1 -11 0 5.00 0.80 -1 -11 0 2.60 0.90 1 -11 0 4.20 0.90 -1 11 0 4.30 0.80 -1 11 0 2.80 0.90 1 11 0 3.50 0.90 1 11 0 4.60 1.00 2 -11 0 23.70 1.30 -2 -11 0 20.40 1.60 2 -11 0 21.10 1.40 -2 -11 0 19.70 1.50 -2 11 0 20.50 1.50 -2 11 0 25.30 1.80 2 11 0 23.00 1.60 2 11 0 21.90 1.70 3 -11 0 92.49 2.70 3 -11 0 97.09 2.60 -3 -11 0 94.09 2.90 -3 -11 0 94.99 3.20 3 11 0 93.49 3.10 -3 11 0 96.79 2.90 3 11 0 94.09 3.00 -3 11 0 97.79 3.10 4 -11 0 11.80 1.20 -4 -11 0 12.60 1.60 -4 -11 0 11.60 1.40 4 -11 0 12.90 1.10 -4 11 0 12.30 1.30 -4 11 0 13.90 1.40 4 11 0 11.10 1.30 4 11 0 15.30 1.60 5 -11 0 2.40 0.60 -5 -11 0 2.30 1.10 5 -11 0 2.00 0.60 -5 -11 0 1.30 0.90 5 11 0 1.10 0.90 -5 11 0 1.10 0.80 5 11 0 2.10 0.90 -5 11 0 1.30 0.80 6 -11 0 6.00 0.70 -6 -11 0 4.10 1.00 6 -11 0 5.90 0.70 -6 -11 0 6.40 1.30 6 11 0 6.50 1.10 6 11 0 5.50 2.00 -6 11 0 5.90 1.10 -6 11 0 4.40 0.90 7 -11 0 14.50 0.90 -7 -11 0 11.50 1.40 7 -11 0 13.80 1.00 7 11 0 14.00 1.80 -7 11 0 13.20 1.50 7 11 0 13.40 1.40 -7 11 0 13.20 1.70 -8 -11 0 26.50 2.60 8 -11 0 24.90 0.90 8 -11 0 24.10 1.00 8 11 0 23.90 2.00 8 11 0 27.20 2.10 -8 11 0 22.20 1.70 -9 -11 0 13.00 1.80 -9 -11 0 13.70 1.50 -9 11 0 12.30 1.30 9 11 0 11.00 1.50 -9 11 0 11.40 1.40 9 11 0 10.00 1.40 -10 -11 0 39.10 2.70 -10 -11 0 36.30 3.00 -10 11 0 36.70 2.50 -10 11 0 39.90 2.20 -11 -11 0 12.00 1.70 -11 -11 0 10.40 1.90 -11 11 0 11.90 1.50 -11 11 0 8.00 1.30 11 11 0 10.90 1.60 -12 -11 0 1.90 1.50 -12 -11 0 0.80 1.70 -12 11 0 1.70 1.40 -12 11 0 1.00 1.10 12 11 0 2.10 1.40 -13 -11 0 3.20 2.10 -13 -11 0 3.60 1.80 -13 11 0 0.80 1.30 13 11 0 3.50 1.50 -13 11 0 5.00 1.60 13 11 0 1.80 1.70 14 11 0 3.40 1.90 -14 11 0 4.40 1.40 0 -12 0 38.90 2.00 0 -12 0 39.00 1.80 0 12 0 35.80 2.00 0 12 0 39.10 2.30 1 -12 0 -0.20 0.70 -1 -12 0 -0.90 0.90 -1 -12 0 -0.50 0.80 -1 12 0 -1.80 0.90 1 12 0 -0.50 1.00 -1 12 0 -0.50 0.80 1 12 0 -1.80 0.80 2 -12 0 1.20 0.70 -2 -12 0 1.10 0.90 -2 -12 0 1.10 1.00 2 -12 0 -0.10 0.70 -2 12 0 1.20 0.90 -2 12 0 1.00 0.90 2 12 0 -0.50 1.00 2 12 0 0.60 0.90 -3 -12 0 6.90 1.20 3 -12 0 7.40 0.90 3 -12 0 7.20 0.90 -3 -12 0 7.00 1.10 3 12 0 5.90 1.10 3 12 0 6.10 1.20 -3 12 0 7.60 1.00 -3 12 0 7.10 1.20 4 -12 0 11.50 1.20 4 -12 0 11.40 1.30 -4 -12 0 9.90 1.40 4 12 0 10.30 1.20 -4 12 0 8.90 1.20 -4 12 0 8.90 1.10 5 -12 0 113.69 2.90 5 -12 0 117.99 3.00 -5 -12 0 122.49 3.60 -5 -12 0 121.29 4.00 5 12 0 117.19 3.80 -5 12 0 117.59 3.70 -5 12 0 118.79 3.40 5 12 0 119.09 3.60 6 -12 0 -0.10 0.50 -6 -12 0 -0.10 1.00 6 -12 0 0.60 0.60 6 12 0 0.90 1.00 -6 12 0 0.20 0.80 6 12 0 -1.10 1.10 -6 12 0 2.50 1.00 -7 -12 0 7.10 1.80 7 -12 0 8.00 1.00 7 -12 0 7.30 0.70 -7 12 0 8.00 1.10 7 12 0 9.70 1.30 -7 12 0 9.50 1.30 7 12 0 8.90 1.30 8 -12 0 2.90 0.50 -8 -12 0 3.50 1.40 8 -12 0 3.00 0.50 8 12 0 3.70 1.40 -8 12 0 1.30 0.90 8 12 0 1.80 1.20 -9 -12 0 1.40 1.10 -9 -12 0 2.60 1.50 -9 12 0 2.00 1.00 9 12 0 4.10 1.30 -10 -12 0 0.70 1.60 -10 -12 0 -0.10 1.40 -10 12 0 -2.10 1.00 10 12 0 -0.90 1.20 -11 -12 0 16.90 1.90 -11 -12 0 19.40 2.40 -11 12 0 18.70 2.10 11 12 0 23.40 2.80 11 12 0 19.60 2.00 -11 12 0 23.50 2.70 -12 -12 0 -0.20 2.00 -12 -12 0 -3.80 1.50 12 12 0 -0.60 1.40 -12 12 0 -0.80 1.20 -12 12 0 1.50 1.60 12 12 0 -1.90 1.60 -13 -12 0 2.20 2.20 -13 12 0 4.40 1.80 13 12 0 3.70 1.70 -13 12 0 4.00 1.40 13 12 0 2.70 1.90 0 -13 0 -0.50 0.90 0 -13 0 -2.10 0.80 0 13 0 -2.20 1.20 0 13 0 -2.10 0.90 1 -13 0 9.00 1.00 -1 -13 0 9.00 1.20 -1 -13 0 9.70 1.40 -1 13 0 10.90 1.30 -1 13 0 9.20 1.50 1 13 0 6.80 1.20 -2 -13 0 -2.00 0.90 2 -13 0 -1.00 0.80 -2 -13 0 -1.50 1.00 2 -13 0 -0.80 0.80 2 13 0 -0.50 1.10 2 13 0 -2.30 0.90 -2 13 0 -0.70 1.10 -2 13 0 -1.90 0.80 3 -13 0 133.29 3.50 3 -13 0 127.09 3.40 -3 -13 0 131.79 4.10 -3 -13 0 131.19 4.20 -3 13 0 131.99 4.10 3 13 0 123.49 3.80 -3 13 0 135.79 3.70 -4 -13 0 30.30 2.00 4 -13 0 30.50 1.70 4 -13 0 29.30 1.60 -4 -13 0 32.00 2.40 -4 13 0 27.30 1.90 4 13 0 28.10 2.00 4 13 0 24.10 2.30 -4 13 0 31.20 2.30 -5 -13 0 11.10 1.30 5 -13 0 11.20 1.20 5 -13 0 13.50 1.30 -5 -13 0 14.40 1.70 -5 13 0 14.20 1.70 5 13 0 17.60 2.00 5 13 0 9.50 1.40 6 -13 0 0.70 0.60 6 -13 0 1.00 0.60 6 13 0 0.00 1.00 -6 13 0 2.60 1.70 -6 13 0 1.20 0.90 6 13 0 1.30 1.10 -7 -13 0 5.60 1.60 7 -13 0 7.00 0.80 7 -13 0 8.10 1.00 -7 13 0 6.50 1.30 7 13 0 7.60 1.40 -7 13 0 8.00 1.20 8 -13 0 17.90 1.00 8 -13 0 17.70 1.00 -8 -13 0 26.00 2.60 -8 13 0 16.80 1.80 -8 13 0 15.80 1.80 8 13 0 20.30 2.30 -9 -13 0 19.50 2.20 -9 -13 0 19.90 2.20 9 13 0 19.60 2.30 -9 13 0 27.00 2.00 -9 13 0 25.00 2.60 9 13 0 23.80 2.50 -10 -13 0 11.00 2.10 -10 -13 0 8.00 1.80 -10 13 0 8.40 1.70 10 13 0 10.10 1.70 10 13 0 8.50 1.70 -10 13 0 8.10 1.40 -11 -13 0 2.70 2.10 -11 -13 0 0.80 1.60 11 13 0 3.00 1.60 11 13 0 3.30 1.70 -11 13 0 4.40 1.30 -12 -13 0 -4.60 2.10 12 13 0 -0.50 1.80 12 13 0 1.10 1.50 -12 13 0 -0.50 1.30 0 -14 0 4.20 1.20 0 -14 0 3.20 1.10 0 14 0 4.30 1.40 1 -14 0 100.19 3.10 -1 -14 0 98.59 3.60 1 14 0 95.69 3.80 -1 14 0 109.29 3.90 1 14 0 99.89 3.50 -1 14 0 100.59 3.40 2 -14 0 14.20 1.70 -2 -14 0 10.40 1.30 -2 -14 0 11.00 1.50 2 -14 0 12.90 1.60 -2 14 0 10.40 1.50 2 14 0 8.90 1.30 -2 14 0 12.80 1.40 3 -14 0 14.00 1.60 -3 -14 0 10.90 1.60 3 -14 0 14.60 1.60 -3 -14 0 12.10 1.40 -3 14 0 13.70 1.70 -3 14 0 10.20 1.40 3 14 0 10.50 1.40 4 -14 0 6.70 1.00 -4 -14 0 4.60 1.40 -4 -14 0 5.00 1.20 4 -14 0 7.20 1.00 -4 14 0 5.40 1.40 4 14 0 4.20 1.50 -4 14 0 5.80 1.20 5 -14 0 16.10 1.40 -5 -14 0 19.80 2.50 5 -14 0 12.40 1.50 5 14 0 11.00 1.50 -5 14 0 14.40 1.90 -5 14 0 14.30 1.70 6 -14 0 -0.10 0.70 -6 -14 0 -1.00 1.30 6 -14 0 -0.10 0.60 -6 14 0 -0.30 1.00 -6 14 0 1.20 1.30 6 14 0 -0.60 1.10 -7 -14 0 30.70 3.10 7 -14 0 32.90 1.60 7 -14 0 33.90 1.50 -7 14 0 37.30 2.70 -7 14 0 31.70 2.20 7 14 0 36.40 2.60 7 14 0 36.20 3.40 -8 -14 0 2.60 2.00 8 -14 0 1.40 0.50 -8 -14 0 0.50 1.60 8 -14 0 2.00 0.60 -8 14 0 3.40 1.40 8 14 0 2.40 1.50 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11 2 77.39 2.60 -8 -11 2 4.40 1.10 -8 -11 2 2.60 1.30 8 11 -2 6.40 1.10 -8 11 2 4.40 1.00 8 11 -2 6.60 1.30 -8 11 2 5.20 0.90 -7 -11 2 4.70 1.10 -7 -11 2 5.20 1.20 7 11 -2 6.80 2.00 -7 11 2 3.50 0.80 7 11 -2 4.90 1.10 -7 11 2 6.00 1.00 6 -11 -2 0.00 0.30 -6 -11 2 -0.70 0.90 -6 -11 2 0.00 1.00 6 -11 -2 -0.20 0.30 -6 11 2 0.20 0.80 -6 11 2 -1.30 0.70 6 11 -2 0.70 0.90 6 11 -2 1.10 1.00 5 -11 -2 28.90 1.10 -5 -11 2 28.30 2.00 5 -11 -2 29.10 1.10 -5 -11 2 31.80 2.00 5 11 -2 25.50 1.80 5 11 -2 30.40 2.10 -5 11 2 29.80 1.70 -5 11 2 30.20 1.80 4 -11 -2 9.50 1.00 4 -11 -2 9.90 0.90 -4 -11 2 10.80 1.30 -4 -11 2 9.60 1.10 -4 11 2 8.40 0.90 -4 11 2 9.90 1.10 4 11 -2 11.70 1.30 4 11 -2 10.90 1.40 -3 -11 2 161.98 4.10 3 -11 -2 160.28 3.60 3 -11 -2 162.38 3.70 -3 -11 2 155.48 4.40 -3 11 2 165.48 4.20 3 11 -2 161.48 4.30 3 11 -2 157.98 4.20 -3 11 2 162.88 4.00 2 -11 -2 13.50 1.10 -2 -11 2 11.40 1.20 -2 -11 2 14.60 1.50 2 11 -2 12.40 1.30 -2 11 2 13.40 1.50 -2 11 2 10.80 1.30 2 11 -2 11.30 1.40 1 -11 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2 15.10 2.60 -13 -12 2 9.70 2.10 13 12 -2 11.70 1.70 13 12 -2 8.60 2.80 -12 -12 2 2.70 1.90 -12 -12 2 3.10 1.70 -12 12 2 0.90 1.10 12 12 -2 2.50 1.40 -11 -12 2 28.60 2.90 -11 -12 2 31.20 3.30 11 12 -2 30.00 2.50 -11 12 2 29.20 2.10 -10 -12 2 4.60 1.50 -10 -12 2 6.80 1.80 -10 12 2 4.90 1.10 10 12 -2 4.90 1.40 -9 -12 2 14.30 1.70 -9 -12 2 14.80 1.90 9 12 -2 16.10 1.90 9 12 -2 12.70 1.60 -9 12 2 12.90 1.50 -9 12 2 15.90 1.70 -8 -12 2 -0.20 1.40 -8 -12 2 -0.10 1.00 -8 12 2 0.00 0.80 8 12 -2 1.30 1.00 8 12 -2 0.70 1.10 -8 12 2 -0.20 1.00 -7 -12 2 -0.50 1.20 -7 12 2 1.40 1.00 7 12 -2 1.40 1.00 7 12 -2 0.20 1.10 -7 12 2 0.40 0.80 6 -12 -2 4.80 0.50 6 -12 -2 4.90 0.50 -6 -12 2 5.30 1.20 -6 12 2 4.50 1.00 6 12 -2 4.20 1.10 6 12 -2 3.50 1.20 -6 12 2 3.80 0.90 5 -12 -2 0.20 0.50 -5 -12 2 -0.40 0.90 -5 -12 2 -0.90 1.00 5 -12 -2 -0.80 0.40 5 12 -2 -0.60 1.10 -5 12 2 -1.00 0.80 -5 12 2 0.80 0.80 5 12 -2 -1.40 0.90 4 -12 -2 1.40 0.60 -4 -12 2 -0.20 1.00 -4 -12 2 2.90 1.60 4 -12 -2 0.50 0.60 4 12 -2 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8.10 2.20 -13 11 3 15.50 1.70 -13 11 3 16.60 2.00 13 11 -3 12.50 1.70 -12 -11 3 1.80 1.70 -12 -11 3 2.40 1.40 12 11 -3 1.20 1.20 12 11 -3 2.90 1.40 -12 11 3 1.80 1.00 -11 -11 3 1.50 1.40 -11 -11 3 4.80 1.60 -11 11 3 3.70 1.00 -11 11 3 3.10 1.10 11 11 -3 2.00 1.20 11 11 -3 0.40 1.30 -10 -11 3 0.40 1.40 -10 -11 3 0.30 1.20 10 11 -3 -0.20 1.20 -10 11 3 -0.10 0.80 10 11 -3 -1.50 0.90 -9 -11 3 14.00 2.20 -9 -11 3 12.30 1.50 -9 11 3 14.90 1.50 9 11 -3 10.90 1.50 -9 11 3 10.90 1.20 9 11 -3 10.90 1.30 -8 -11 3 74.99 3.20 -8 -11 3 77.29 3.00 -8 11 3 77.19 2.70 -8 11 3 73.49 2.50 8 11 -3 72.19 2.80 -7 -11 3 7.50 1.40 -7 -11 3 6.10 1.20 -7 11 3 6.50 0.90 7 11 -3 7.50 1.20 -7 11 3 6.90 1.00 7 11 -3 9.40 1.40 -6 -11 3 46.10 2.20 -6 -11 3 42.90 2.40 6 11 -3 44.20 2.20 -6 11 3 43.80 1.90 6 11 -3 46.30 2.40 -6 11 3 42.90 2.10 -5 -11 3 -0.10 0.80 -5 -11 3 -0.90 0.90 5 -11 -3 0.10 0.40 5 -11 -3 0.30 0.30 -5 11 3 0.20 0.80 5 11 -3 -0.20 0.80 5 11 -3 0.50 1.00 -5 11 3 -0.90 0.60 -4 -11 3 15.00 1.80 4 -11 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5.50 1.00 3 -11 3 24.60 1.60 -3 -11 -3 23.70 1.60 -3 -11 -3 27.60 2.00 3 -11 3 27.00 1.70 3 11 3 25.00 1.90 3 11 3 23.90 1.80 -3 11 -3 21.50 1.90 -3 11 -3 25.60 1.70 4 -11 3 202.58 4.70 -4 -11 -3 204.48 4.90 -4 -11 -3 198.78 5.20 4 -11 3 204.08 4.80 4 11 3 199.08 5.20 -4 11 -3 207.08 5.20 4 11 3 199.48 5.00 -4 11 -3 209.88 4.90 -5 -11 -3 56.69 2.60 5 -11 3 62.59 2.10 5 -11 3 60.89 2.20 -5 -11 -3 56.59 2.80 -5 11 -3 59.29 2.40 5 11 3 59.39 2.50 5 11 3 56.99 2.60 -5 11 -3 57.39 2.70 6 -11 3 -0.60 0.60 6 -11 3 0.80 0.80 -6 -11 -3 0.80 1.00 -6 -11 -3 0.20 1.00 -6 11 -3 -1.30 0.80 6 11 3 -0.30 1.00 6 11 3 0.50 1.00 -6 11 -3 -1.40 1.10 7 -11 3 -0.90 0.70 -7 -11 -3 -0.50 1.10 7 -11 3 -1.30 0.60 7 11 3 -1.40 1.00 -7 11 -3 0.30 0.90 7 11 3 0.90 1.00 8 -11 3 7.00 0.90 8 -11 3 5.70 0.80 -8 -11 -3 7.20 1.50 -8 11 -3 4.10 1.30 -8 11 -3 4.70 1.00 9 -11 3 20.30 1.40 -9 -11 -3 19.00 2.40 9 -11 3 21.60 1.60 -9 11 -3 21.40 2.40 -9 11 -3 20.90 2.00 9 11 3 19.80 2.30 -10 -11 -3 45.00 2.80 10 -11 3 45.30 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1.00 1 12 -3 -0.70 1.00 -1 12 3 -0.10 0.80 0 -12 -3 3.70 0.80 0 -12 -3 5.40 1.00 0 -12 3 2.60 1.00 0 12 3 4.60 1.10 0 12 3 5.10 1.00 0 12 -3 3.30 1.00 0 12 -3 4.50 1.20 1 -12 3 6.70 1.10 1 -12 3 7.70 1.10 -1 -12 -3 7.20 1.20 -1 12 -3 8.70 1.40 -1 12 -3 7.00 1.10 1 12 3 7.30 1.20 1 12 3 9.10 1.20 -2 -12 -3 281.87 6.20 2 -12 3 279.17 6.30 2 -12 3 284.37 6.30 -2 -12 -3 276.67 6.60 2 12 3 274.37 6.40 -2 12 -3 283.67 6.70 2 12 3 287.47 6.70 -2 12 -3 285.77 6.40 -3 -12 -3 69.59 2.50 3 -12 3 71.69 2.50 3 -12 3 71.99 2.60 -3 -12 -3 70.59 2.90 -3 12 -3 69.89 3.00 3 12 3 67.99 2.70 -3 12 -3 73.59 2.70 4 -12 3 5.30 0.90 -4 -12 -3 4.40 1.30 4 -12 3 7.20 1.10 -4 -12 -3 7.10 1.30 4 12 3 5.70 1.10 4 12 3 3.30 1.20 -4 12 -3 6.70 1.10 -5 -12 -3 3.20 1.20 5 -12 3 5.00 0.90 -5 -12 -3 3.60 1.10 5 -12 3 4.30 0.80 5 12 3 3.80 1.00 -5 12 -3 5.30 1.10 5 12 3 3.90 1.40 -5 12 -3 4.40 1.40 -6 -12 -3 28.70 2.40 6 -12 3 25.90 1.80 -6 -12 -3 24.50 2.00 6 -12 3 27.00 1.60 -6 12 -3 29.50 2.00 -6 12 -3 26.60 2.40 6 12 3 27.30 2.30 6 12 3 26.50 2.00 7 -12 3 4.10 0.90 7 -12 3 4.30 0.80 -7 -12 -3 4.90 1.40 -7 12 -3 4.00 1.00 -7 12 -3 4.60 1.30 7 12 3 4.60 1.50 -8 -12 -3 11.40 1.80 8 -12 3 12.50 1.40 8 -12 3 14.10 1.60 -8 12 -3 14.90 1.90 8 12 3 13.10 1.60 -9 -12 -3 4.40 1.70 9 -12 3 4.80 0.80 9 -12 3 5.20 0.90 9 12 3 4.80 1.50 9 12 3 3.20 1.50 -10 -12 -3 -1.30 1.40 10 -12 3 0.60 0.80 10 -12 3 0.40 0.60 -10 -12 -3 -2.30 1.70 -10 12 -3 0.40 1.10 10 12 3 3.20 1.50 10 12 3 0.80 1.50 -10 12 -3 2.30 1.50 -11 -12 -3 6.10 1.70 -11 -12 -3 5.50 2.00 11 -12 3 5.80 0.70 11 -12 3 3.40 0.70 11 12 3 5.70 1.70 -11 12 -3 6.70 1.50 11 12 3 5.00 1.80 -11 12 -3 3.20 1.70 -12 -12 -3 91.39 4.60 -12 12 -3 87.19 3.80 -12 12 -3 93.99 4.50 12 12 3 100.29 4.30 12 12 3 90.99 4.30 -13 -13 3 14.70 2.70 -13 13 3 18.90 2.20 13 13 -3 16.00 2.00 13 13 -3 19.00 2.20 -12 -13 3 -2.10 2.00 -12 -13 3 1.60 1.80 12 13 -3 1.00 1.60 -12 13 3 0.30 1.50 -12 13 3 2.90 1.20 12 13 -3 2.70 1.50 -11 -13 3 -2.80 1.80 -11 -13 3 -0.60 1.60 11 13 -3 -1.30 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52.59 1.90 -2 13 3 51.29 2.30 2 13 -3 49.90 2.50 -2 13 3 54.09 2.60 2 13 -3 51.99 2.70 -1 -13 3 95.59 3.80 -1 -13 3 110.39 3.60 1 -13 -3 108.39 3.00 1 -13 -3 103.49 3.20 1 13 -3 105.39 3.80 -1 13 3 104.39 3.30 1 13 -3 106.29 3.50 -1 13 3 109.99 3.60 0 -13 3 193.98 4.80 0 -13 -3 180.68 4.80 0 -13 -3 189.98 4.50 0 13 3 179.18 5.60 0 13 -3 193.88 5.30 0 13 -3 191.58 4.90 0 13 3 194.78 4.90 -1 -13 -3 20.10 1.80 1 -13 3 27.80 2.00 1 -13 3 28.20 2.10 -1 -13 -3 21.80 2.10 1 13 3 20.80 1.90 -1 13 -3 27.50 2.10 -1 13 -3 22.00 2.10 1 13 3 23.10 2.50 2 -13 3 0.30 0.90 -2 -13 -3 -0.80 0.90 2 -13 3 0.10 0.90 -2 -13 -3 -0.40 1.00 2 13 3 -1.90 1.00 2 13 3 -1.00 1.10 -2 13 -3 -0.90 1.10 -2 13 -3 0.10 1.00 3 -13 3 34.50 1.90 3 -13 3 36.20 2.00 -3 -13 -3 26.60 2.20 -3 -13 -3 31.50 2.10 3 13 3 30.60 2.00 -3 13 -3 35.50 2.50 -3 13 -3 36.00 2.20 4 -13 3 3.30 0.90 4 -13 3 3.00 0.90 -4 -13 -3 3.70 1.20 -4 -13 -3 3.80 1.10 -4 13 -3 3.80 1.30 4 13 3 3.00 1.10 -4 13 -3 3.00 1.00 5 -13 3 18.50 1.70 -5 -13 -3 15.10 1.70 5 -13 3 19.10 1.60 -5 -13 -3 12.80 1.40 5 13 3 13.70 2.50 -5 13 -3 17.10 2.20 -5 13 -3 18.10 1.80 -6 -13 -3 12.40 1.70 6 -13 3 16.30 1.80 6 -13 3 13.00 1.60 -6 13 -3 15.30 1.80 6 13 3 13.60 1.60 -6 13 -3 16.30 1.90 -7 -13 -3 5.50 1.50 7 -13 3 4.30 0.90 -7 -13 -3 5.80 1.60 7 -13 3 4.30 1.00 -7 13 -3 2.20 1.40 -7 13 -3 4.70 1.20 7 13 3 5.20 1.40 -8 -13 -3 2.20 1.60 8 -13 3 0.90 0.80 -8 -13 -3 2.40 1.80 8 -13 3 3.00 1.00 -8 13 -3 3.10 1.60 -8 13 -3 1.10 1.40 8 13 3 1.20 1.50 8 13 3 2.30 1.40 9 -13 3 44.50 1.90 -9 -13 -3 48.90 3.10 9 -13 3 41.90 2.10 -9 -13 -3 46.20 3.40 -9 13 -3 47.00 2.70 -9 13 -3 41.10 3.30 9 13 3 43.70 3.10 9 13 3 44.80 3.10 10 -13 3 16.70 1.30 -10 -13 -3 22.70 2.90 -10 -13 -3 13.10 2.20 10 -13 3 14.10 1.50 10 13 3 12.80 2.00 10 13 3 16.60 2.00 -10 13 -3 13.60 1.60 -11 -13 -3 3.40 2.10 11 -13 3 5.20 0.70 -11 -13 -3 3.90 1.90 11 -13 3 4.30 0.70 11 13 3 5.00 2.00 -11 13 -3 3.00 1.40 11 13 3 2.80 1.70 -12 -13 -3 4.80 2.30 12 13 3 2.20 1.80 12 13 3 -2.90 2.00 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28.70 1.10 -2 3 -4 29.50 1.10 2 3 4 27.90 1.10 -2 3 -4 29.00 1.10 3 -3 4 48.00 1.50 -3 -3 -4 50.59 1.60 -3 -3 -4 48.40 1.50 3 -3 4 49.40 1.50 3 3 4 49.10 1.60 3 3 4 50.09 1.50 -3 3 -4 49.60 1.50 -3 3 -4 48.20 1.50 -4 -3 -4 0.70 0.50 4 -3 4 0.40 0.50 4 -3 4 0.80 0.40 -4 -3 -4 0.70 0.50 4 3 4 0.80 0.50 4 3 4 0.70 0.50 -4 3 -4 0.60 0.40 -4 3 -4 0.70 0.50 5 -3 4 345.17 6.90 5 -3 4 339.27 6.80 -5 -3 -4 342.87 7.10 -5 -3 -4 346.97 6.90 5 3 4 341.97 7.00 5 3 4 348.47 7.00 -5 3 -4 337.57 6.90 -5 3 -4 349.77 7.00 -6 -3 -4 26.00 1.40 -6 -3 -4 24.10 1.30 6 -3 4 23.30 1.20 6 -3 4 22.70 1.30 -6 3 -4 23.00 1.30 6 3 4 23.60 1.30 -6 3 -4 21.00 1.20 6 3 4 22.90 1.30 7 -3 4 74.89 2.20 -7 -3 -4 74.59 2.30 -7 -3 -4 76.49 2.50 7 -3 4 75.89 2.20 7 3 4 76.19 2.40 7 3 4 79.89 2.40 -7 3 -4 76.69 2.40 -7 3 -4 74.49 2.30 -8 -3 -4 43.90 1.80 8 -3 4 44.30 1.80 -8 -3 -4 43.30 2.00 8 -3 4 45.90 1.70 8 3 4 45.30 1.90 -8 3 -4 44.20 1.90 8 3 4 41.60 1.80 -8 3 -4 43.40 1.90 -9 -3 -4 6.40 1.00 9 -3 4 5.80 0.90 -9 -3 -4 6.40 1.00 9 -3 4 7.50 0.80 -9 3 -4 6.50 1.00 9 3 4 5.30 0.90 -9 3 -4 5.70 0.90 9 3 4 5.90 0.90 10 -3 4 44.10 2.00 -10 -3 -4 46.90 2.30 -10 -3 -4 48.00 2.40 10 -3 4 44.50 1.80 -10 3 -4 46.30 2.20 10 3 4 47.00 2.10 10 3 4 47.60 2.20 -10 3 -4 42.70 2.30 11 -3 4 21.10 1.60 -11 -3 -4 15.70 2.00 -11 -3 -4 14.40 1.50 11 -3 4 22.60 1.50 -11 3 -4 22.50 2.00 11 3 4 15.70 1.80 11 3 4 18.30 1.90 -11 3 -4 22.40 1.90 12 -3 4 130.99 3.40 12 -3 4 139.09 3.60 -12 -3 -4 138.49 4.20 -12 -3 -4 130.89 4.20 12 3 4 137.49 3.90 12 3 4 132.79 3.80 -12 3 -4 138.79 4.10 -12 3 -4 137.69 4.10 13 -3 4 25.80 1.70 -13 -3 -4 21.10 2.60 13 -3 4 25.30 1.80 -13 -3 -4 21.90 2.40 13 3 4 25.10 2.10 -13 3 -4 29.20 2.30 -13 3 -4 31.00 2.50 14 -3 4 4.50 1.00 14 -3 4 4.70 0.90 -14 -3 -4 2.60 1.60 -14 -3 -4 8.70 1.70 14 3 4 2.40 1.20 14 3 4 4.60 1.60 -14 3 -4 6.00 1.50 -14 3 -4 3.80 1.60 15 -3 4 0.30 0.80 -15 -3 -4 0.50 1.80 -15 -3 -4 1.70 1.70 15 -3 4 1.90 0.90 15 3 4 0.70 1.20 -15 3 -4 0.20 1.70 15 3 4 0.30 1.50 -15 3 -4 -0.10 1.50 -16 -4 4 7.80 1.70 -16 -4 4 10.30 1.90 -16 4 4 6.80 1.30 -16 4 4 5.50 1.30 -15 -4 4 9.10 1.60 -15 -4 4 4.90 1.40 -15 4 4 5.00 1.10 -15 4 4 6.90 1.80 -14 -4 4 42.50 2.50 -14 -4 4 45.80 2.70 -14 4 4 47.40 2.10 -14 4 4 45.90 2.10 -13 -4 4 88.29 3.00 -13 -4 4 90.09 3.30 -13 4 4 89.89 2.60 -13 4 4 87.09 2.60 -12 -4 4 1.00 0.80 -12 -4 4 0.10 0.90 12 4 -4 0.40 0.30 -12 4 4 -0.70 0.60 12 4 -4 0.20 0.30 -12 4 4 1.30 0.60 -11 -4 4 4.00 0.90 -11 -4 4 2.60 0.90 11 4 -4 3.60 0.50 -11 4 4 3.20 0.60 11 4 -4 4.40 0.50 -11 4 4 2.30 0.60 -10 -4 4 6.60 0.90 -10 -4 4 6.40 1.00 -10 4 4 7.70 0.80 -10 4 4 8.30 0.80 10 4 -4 7.40 0.80 10 4 -4 6.50 0.80 -9 -4 4 4.60 0.80 -9 -4 4 4.80 0.80 9 4 -4 4.90 0.60 -9 4 4 4.40 0.50 -9 4 4 6.10 0.70 9 4 -4 5.10 0.60 -8 -4 4 135.69 3.20 -8 -4 4 135.39 3.40 8 4 -4 134.79 3.00 -8 4 4 127.99 2.70 8 4 -4 134.99 2.90 -8 4 4 134.39 2.70 -7 -4 4 28.10 1.40 -7 -4 4 32.10 1.30 7 4 -4 28.70 1.10 -7 4 4 30.30 0.80 -7 4 4 30.70 0.80 7 4 -4 31.60 1.10 -6 -4 4 2.00 0.60 -6 -4 4 2.70 0.50 6 4 -4 2.60 0.50 6 4 -4 1.90 0.40 -6 4 4 2.80 0.30 -5 -4 4 10.40 0.80 -5 -4 4 8.50 0.90 -5 4 4 9.40 0.30 5 4 -4 8.30 0.70 5 4 -4 10.80 0.80 -4 -4 4 137.49 3.10 -4 -4 4 139.69 3.00 4 4 -4 133.19 3.00 4 4 -4 138.09 3.00 -4 4 4 132.69 2.50 -3 -4 4 48.90 1.50 -3 -4 4 52.19 1.60 -3 4 4 51.39 1.10 3 4 -4 51.19 1.40 3 4 -4 50.69 1.50 -3 4 4 50.99 1.20 -2 -4 4 585.14 10.70 -2 -4 4 567.14 10.80 2 -4 -4 564.14 10.30 -2 4 4 545.75 10.50 2 4 -4 593.84 10.80 -2 4 4 555.14 10.40 2 4 -4 569.54 10.70 1 -4 -4 48.40 1.20 -1 -4 4 48.60 1.40 1 -4 -4 47.80 1.20 -1 -4 4 48.00 1.50 1 4 -4 47.80 1.40 1 4 -4 48.90 1.50 -1 4 4 48.30 1.30 -1 4 4 48.00 1.20 0 -4 -4 249.18 4.90 0 -4 4 240.48 5.00 0 -4 -4 240.18 4.80 0 -4 4 247.48 4.90 0 4 -4 242.48 5.00 0 4 -4 247.18 4.90 0 4 4 246.48 4.90 0 4 4 243.88 4.80 1 -4 4 96.89 2.30 -1 -4 -4 97.09 2.30 1 -4 4 99.09 2.40 -1 -4 -4 98.49 2.20 1 4 4 101.89 2.30 1 4 4 98.39 2.30 -1 4 -4 99.69 2.30 -1 4 -4 95.89 2.40 -2 -4 -4 300.97 6.00 2 -4 4 300.67 6.00 -2 -4 -4 290.97 5.90 2 -4 4 297.77 5.90 2 4 4 298.17 6.00 2 4 4 300.17 5.90 -2 4 -4 296.47 6.00 -2 4 -4 304.67 6.00 3 -4 4 987.20 18.20 -3 -4 -4 952.00 18.20 -3 -4 -4 988.80 18.30 3 -4 4 982.50 18.20 -3 4 -4 987.20 18.30 3 4 4 993.70 18.20 3 4 4 978.00 18.30 -3 4 -4 986.70 18.20 -4 -4 -4 12.60 1.00 4 -4 4 11.40 0.90 4 -4 4 11.70 0.90 -4 -4 -4 12.10 1.10 -4 4 -4 12.10 1.00 -4 4 -4 13.00 1.00 4 4 4 11.60 1.00 4 4 4 10.70 1.00 5 -4 4 237.88 4.90 -5 -4 -4 236.78 5.10 -5 -4 -4 238.68 5.20 5 -4 4 239.88 5.00 -5 4 -4 243.48 5.10 5 4 4 228.88 5.10 -5 4 -4 235.88 5.00 5 4 4 237.68 5.10 -6 -4 -4 -0.20 0.60 -6 -4 -4 0.50 0.60 6 -4 4 0.10 0.50 6 -4 4 -0.90 0.50 6 4 4 0.60 0.60 -6 4 -4 -0.90 0.50 6 4 4 0.30 0.60 -6 4 -4 -0.40 0.50 -7 -4 -4 1.60 0.80 7 -4 4 2.40 0.60 -7 -4 -4 2.50 0.80 7 -4 4 1.60 0.60 -7 4 -4 1.90 0.70 7 4 4 3.70 0.80 -7 4 -4 2.50 0.70 7 4 4 2.40 0.80 -8 -4 -4 65.79 2.30 8 -4 4 67.29 2.10 8 -4 4 65.69 2.20 -8 -4 -4 66.49 2.40 8 4 4 67.79 2.30 -8 4 -4 67.39 2.40 8 4 4 67.09 2.30 -8 4 -4 69.39 2.30 9 -4 4 43.70 1.70 9 -4 4 43.60 1.80 -9 -4 -4 40.40 2.20 -9 4 -4 46.20 2.10 9 4 4 42.20 2.00 -9 4 -4 46.40 2.00 9 4 4 45.00 2.10 -10 -4 -4 162.78 4.30 10 -4 4 166.88 3.90 10 -4 4 160.38 4.00 -10 -4 -4 163.48 4.60 10 4 4 166.48 4.30 -10 4 -4 162.08 4.30 10 4 4 169.38 4.30 -11 -4 -4 32.80 2.50 11 -4 4 34.80 1.80 11 -4 4 35.60 1.70 -11 -4 -4 32.00 2.30 -11 4 -4 32.00 2.10 -11 4 -4 34.00 2.20 11 4 4 33.90 2.20 11 4 4 30.10 2.00 -12 -4 -4 2.90 1.30 -12 -4 -4 1.60 1.30 12 -4 4 1.80 0.90 12 -4 4 1.80 0.70 -12 4 -4 2.20 1.10 12 4 4 2.20 1.10 -12 4 -4 2.50 1.20 13 -4 4 7.40 0.90 -13 -4 -4 7.40 1.60 13 -4 4 6.20 1.00 -13 -4 -4 6.60 1.60 13 4 4 5.30 1.10 -13 4 -4 8.10 1.50 -13 4 -4 7.50 1.30 13 4 4 4.50 1.30 14 -4 4 8.40 0.90 -14 -4 -4 5.50 1.90 14 -4 4 7.30 1.00 -14 -4 -4 5.20 1.70 14 4 4 8.20 1.40 -14 4 -4 9.00 1.50 -14 4 -4 7.80 1.70 14 4 4 7.10 1.50 15 -4 4 2.20 0.80 -15 -4 -4 -0.40 1.80 15 -4 4 1.60 0.70 -15 -4 -4 3.20 1.90 -15 4 -4 -0.10 1.50 -15 4 -4 -0.20 1.70 15 4 4 1.80 1.50 15 4 4 2.90 1.50 -16 -5 4 8.30 1.90 -16 -5 4 10.40 1.80 -16 5 4 11.30 1.40 -16 5 4 7.80 1.40 -15 -5 4 0.70 1.50 -15 -5 4 -2.10 1.30 -15 5 4 -2.40 0.90 -14 -5 4 0.20 1.20 -14 -5 4 -1.50 1.90 -14 5 4 0.90 0.80 -14 5 4 0.70 0.80 -13 -5 4 17.10 2.00 -13 -5 4 14.50 1.60 -13 5 4 16.10 1.40 -13 5 4 17.30 1.50 13 5 -4 15.60 0.90 13 5 -4 16.90 0.90 -12 -5 4 -0.40 1.00 -12 5 4 1.00 0.60 12 5 -4 0.10 0.50 12 5 -4 0.40 0.50 -12 5 4 -0.10 0.60 -11 -5 4 104.69 3.40 -11 -5 4 106.49 3.10 11 5 -4 106.29 2.60 -11 5 4 110.59 2.70 -11 5 4 106.99 2.60 11 5 -4 108.89 2.60 -10 -5 4 1.10 0.90 -10 -5 4 1.80 0.80 10 5 -4 1.50 0.60 10 5 -4 0.80 0.50 -10 5 4 1.20 0.50 -10 5 4 2.20 0.50 -9 -5 4 8.30 1.10 -9 -5 4 6.40 0.90 9 5 -4 9.10 1.00 -9 5 4 8.20 0.80 9 5 -4 6.60 0.70 -9 5 4 7.60 0.80 -8 -5 4 24.10 1.50 -8 -5 4 22.10 1.30 -8 5 4 22.50 0.90 8 5 -4 23.10 1.20 8 5 -4 23.90 1.20 -8 5 4 24.30 0.90 -7 -5 4 23.20 1.30 -7 -5 4 23.90 1.40 -7 5 4 24.50 0.80 7 5 -4 24.50 1.20 7 5 -4 24.50 1.20 -7 5 4 24.60 0.80 -6 -5 4 22.40 1.20 -6 -5 4 22.00 1.30 -6 5 4 22.30 0.70 -6 5 4 21.90 0.70 6 5 -4 23.40 1.10 6 5 -4 22.00 1.10 -5 -5 4 66.59 1.90 -5 -5 4 66.69 2.10 5 5 -4 66.89 1.80 -5 5 4 66.89 1.50 5 5 -4 67.19 1.90 -5 5 4 65.39 1.40 -4 -5 4 45.90 1.50 -4 -5 4 46.30 1.70 4 5 -4 46.00 1.50 -4 5 4 47.60 1.10 4 5 -4 47.30 1.60 -3 -5 4 143.89 3.40 -3 -5 4 145.99 3.30 -3 5 4 147.19 3.00 3 5 -4 145.19 3.20 -3 5 4 143.49 2.90 3 5 -4 148.99 3.30 2 -5 -4 162.98 3.20 -2 -5 4 165.28 3.70 -2 -5 4 169.48 3.60 2 5 -4 168.48 3.60 2 5 -4 164.08 3.70 -2 5 4 169.48 3.40 -2 5 4 162.28 3.30 -1 -5 4 9.60 0.80 1 -5 -4 10.80 0.70 -1 -5 4 11.00 0.90 1 -5 -4 11.00 0.60 -1 5 4 12.30 0.60 -1 5 4 11.60 0.80 1 5 -4 10.60 1.00 1 5 -4 11.10 0.80 0 -5 4 438.16 8.40 0 -5 -4 431.36 8.30 0 -5 -4 419.76 8.10 0 -5 4 431.86 8.40 0 5 4 434.76 8.30 0 5 4 429.56 8.20 0 5 -4 436.46 8.50 0 5 -4 432.76 8.30 1 -5 4 72.39 2.00 -1 -5 -4 71.19 1.90 -1 -5 -4 72.29 1.80 1 -5 4 69.09 1.90 1 5 4 71.59 1.90 1 5 4 70.89 1.90 -1 5 -4 67.89 1.90 -1 5 -4 70.69 2.00 -2 -5 -4 43.40 1.60 2 -5 4 41.70 1.40 2 -5 4 44.40 1.50 -2 -5 -4 44.10 1.40 -2 5 -4 42.40 1.60 -2 5 -4 45.10 1.50 2 5 4 43.30 1.50 2 5 4 43.70 1.50 3 -5 4 1.20 0.50 -3 -5 -4 1.90 0.50 -3 -5 -4 1.90 0.60 3 -5 4 1.30 0.50 -3 5 -4 1.50 0.50 -3 5 -4 1.70 0.50 3 5 4 1.50 0.60 3 5 4 1.30 0.50 4 -5 4 41.00 1.50 -4 -5 -4 39.40 1.60 -4 -5 -4 40.50 1.50 4 -5 4 40.90 1.40 -4 5 -4 40.40 1.50 4 5 4 41.30 1.60 4 5 4 39.60 1.60 -4 5 -4 40.10 1.60 5 -5 4 120.89 3.00 5 -5 4 117.39 2.90 -5 -5 -4 123.49 3.00 -5 -5 -4 118.19 3.10 5 5 4 121.09 3.10 -5 5 -4 119.39 3.00 -5 5 -4 115.59 3.00 5 5 4 120.49 3.10 -6 -5 -4 8.10 1.00 6 -5 4 9.80 1.00 -6 -5 -4 9.60 1.20 6 -5 4 9.80 1.10 6 5 4 9.50 1.20 6 5 4 9.70 1.10 -6 5 -4 7.80 0.90 -6 5 -4 10.10 1.10 7 -5 4 182.98 4.10 -7 -5 -4 177.88 4.50 -7 -5 -4 177.68 4.30 7 -5 4 182.58 4.20 -7 5 -4 186.08 4.40 7 5 4 182.38 4.30 -7 5 -4 185.58 4.30 7 5 4 185.98 4.40 8 -5 4 2.50 0.60 -8 -5 -4 0.30 0.80 8 -5 4 1.50 0.70 -8 -5 -4 0.80 0.80 -8 5 -4 1.50 0.80 -8 5 -4 0.60 0.70 8 5 4 2.00 0.80 8 5 4 0.60 0.80 -9 -5 -4 14.00 1.70 -9 -5 -4 14.20 1.60 9 -5 4 17.60 1.40 9 -5 4 15.60 1.30 9 5 4 15.60 1.70 -9 5 -4 16.30 1.60 9 5 4 14.20 1.60 -9 5 -4 14.50 1.60 -10 -5 -4 3.00 1.10 10 -5 4 0.60 0.80 10 -5 4 1.60 0.70 -10 -5 -4 1.00 1.00 -10 5 -4 0.20 0.80 10 5 4 0.70 1.00 10 5 4 0.40 0.90 11 -5 4 15.30 1.40 -11 -5 -4 15.80 2.00 11 -5 4 15.20 1.60 -11 -5 -4 16.60 1.60 11 5 4 13.80 1.80 11 5 4 13.70 1.60 -11 5 -4 16.10 1.50 -11 5 -4 17.00 1.80 -12 -5 -4 80.79 3.60 12 -5 4 84.29 2.50 -12 -5 -4 82.19 3.40 12 -5 4 80.79 2.60 -12 5 -4 74.49 4.40 12 5 4 79.39 3.00 -12 5 -4 84.59 3.30 12 5 4 86.69 3.20 -13 -5 -4 25.90 2.80 13 -5 4 27.50 1.60 -13 -5 -4 27.80 2.80 13 -5 4 33.90 1.90 13 5 4 24.80 2.30 -13 5 -4 30.40 2.70 -13 5 -4 28.30 2.40 13 5 4 31.10 2.60 -14 -5 -4 2.50 1.80 14 -5 4 2.10 0.80 -14 -5 -4 2.90 1.70 14 -5 4 2.20 0.70 -14 5 -4 2.20 1.50 14 5 4 0.70 1.40 -14 5 -4 0.60 1.30 -15 -5 -4 1.40 2.10 15 5 4 2.40 1.50 15 5 4 -1.70 1.40 -15 5 -4 -2.80 1.60 -15 5 -4 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1.40 4 -13 -4 4.30 0.60 -4 -13 4 6.00 1.20 4 -13 -4 4.60 0.60 -4 13 4 3.90 0.90 4 13 -4 3.60 1.30 -4 13 4 4.20 1.10 4 13 -4 5.30 1.10 -3 -13 4 0.00 1.10 -3 -13 4 -1.20 1.00 3 -13 -4 -0.80 0.60 3 -13 -4 -0.30 0.60 -3 13 4 -0.80 0.90 3 13 -4 -0.60 1.10 -3 13 4 -0.50 0.80 3 13 -4 -0.40 0.90 -2 -13 4 2.50 1.20 -2 -13 4 2.60 1.10 2 -13 -4 3.70 0.80 2 13 -4 1.30 1.00 -2 13 4 2.60 0.90 -2 13 4 3.00 1.10 2 13 -4 5.50 1.40 -1 -13 4 119.29 4.00 -1 -13 4 115.79 3.80 1 -13 -4 119.89 3.40 1 -13 -4 116.09 3.10 1 13 -4 100.99 3.90 -1 13 4 118.29 3.50 1 13 -4 112.39 3.50 -1 13 4 117.39 3.80 0 -13 4 202.38 7.00 0 -13 4 223.38 5.50 0 -13 -4 215.88 5.00 0 -13 -4 222.38 5.40 0 13 -4 222.78 5.40 0 13 4 224.08 5.40 0 13 -4 202.58 5.60 1 -13 4 122.39 3.70 -1 -13 -4 116.59 3.80 -1 -13 -4 121.09 3.40 1 -13 4 119.29 3.70 1 13 4 118.89 3.90 1 13 4 113.49 3.60 -1 13 -4 122.49 4.00 -1 13 -4 123.89 3.70 -2 -13 -4 -0.70 0.90 2 -13 4 1.10 0.90 -2 -13 -4 -2.80 1.00 2 -13 4 -0.40 0.90 2 13 4 -1.90 0.90 -2 13 -4 -0.60 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1.30 9 13 4 -0.60 1.40 -10 -13 -4 4.60 2.00 -10 -13 -4 4.90 1.70 10 -13 4 4.30 0.90 10 -13 4 5.10 1.10 10 13 4 6.50 1.80 10 13 4 5.50 1.80 -10 13 -4 4.90 1.50 11 -13 4 4.30 1.00 -11 -13 -4 6.30 2.30 11 -13 4 2.80 0.80 -11 13 -4 4.60 1.60 11 13 4 2.60 1.90 11 13 4 1.20 1.90 -12 -14 4 8.50 2.20 -12 14 4 -0.90 1.70 12 14 -4 2.10 1.60 -12 14 4 0.50 1.40 12 14 -4 2.20 1.90 -11 -14 4 -4.40 1.60 -11 -14 4 -1.70 2.00 -11 14 4 0.20 1.50 -11 14 4 -0.10 1.10 11 14 -4 2.30 1.40 11 14 -4 -2.10 1.60 -10 -14 4 -0.40 1.60 -10 -14 4 0.20 1.90 10 14 -4 0.10 1.40 -10 14 4 1.90 1.10 10 14 -4 2.00 1.70 -10 14 4 3.40 1.50 -9 -14 4 64.59 3.50 -9 -14 4 59.49 3.90 -9 14 4 70.59 2.80 -9 14 4 64.29 3.20 9 14 -4 64.59 3.20 9 14 -4 56.59 3.50 -8 -14 4 37.00 2.90 -8 -14 4 35.40 3.00 -8 14 4 37.70 2.70 -8 14 4 41.00 2.30 8 14 -4 38.80 2.60 -7 -14 4 0.40 1.60 7 14 -4 2.60 1.20 -7 14 4 -0.30 0.90 -7 14 4 -0.50 1.90 -6 -14 4 -1.50 1.30 6 14 -4 -1.20 1.10 -6 14 4 0.50 1.00 5 -14 -4 4.80 0.50 -5 -14 4 4.20 1.40 5 -14 -4 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5 97.79 3.20 -8 -7 5 104.39 3.00 8 7 -5 101.49 2.70 8 7 -5 98.89 2.70 -8 7 5 97.89 2.30 -8 7 5 98.99 2.30 -7 -7 5 67.49 2.30 -7 -7 5 67.69 2.50 7 7 -5 67.69 2.10 -7 7 5 65.69 1.70 7 7 -5 69.09 2.20 -7 7 5 66.39 1.70 -6 -7 5 15.90 1.50 -6 -7 5 13.30 1.30 -6 7 5 13.90 0.80 6 7 -5 14.00 1.20 6 7 -5 13.60 1.20 -5 -7 5 19.50 1.50 -5 -7 5 21.60 1.40 5 7 -5 21.40 1.40 -5 7 5 20.60 1.00 -5 7 5 21.10 0.90 5 7 -5 19.60 1.30 -4 -7 5 305.27 6.60 -4 -7 5 309.17 6.40 -4 7 5 311.07 6.10 4 7 -5 310.97 6.40 -4 7 5 298.57 5.90 4 7 -5 309.37 6.50 3 -7 -5 3.60 0.40 3 -7 -5 4.20 0.30 -3 -7 5 3.40 0.80 -3 -7 5 2.80 0.70 -3 7 5 3.20 0.50 3 7 -5 2.30 0.60 3 7 -5 3.80 0.80 -3 7 5 3.30 0.60 -2 -7 5 74.99 2.40 -2 -7 5 77.09 2.30 2 -7 -5 78.19 1.80 2 -7 -5 80.59 1.90 -2 7 5 79.39 2.00 -2 7 5 77.29 2.10 2 7 -5 82.09 2.30 2 7 -5 78.89 2.50 -1 -7 5 74.89 2.30 1 -7 -5 72.09 2.00 1 -7 -5 76.49 1.90 -1 -7 5 74.49 2.20 -1 7 5 75.49 2.10 -1 7 5 75.79 2.00 1 7 -5 76.29 2.30 1 7 -5 76.69 2.20 0 -7 5 -0.50 0.50 0 -7 5 -0.90 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215.88 5.30 -8 11 5 207.78 4.80 8 11 -5 223.18 5.50 -8 11 5 202.48 5.00 -7 -11 5 5.80 1.20 -7 -11 5 4.20 1.20 7 11 -5 4.70 1.20 -7 11 5 4.40 1.00 7 11 -5 5.80 1.00 -7 11 5 4.40 0.80 -6 -11 5 1.10 1.00 -6 -11 5 0.70 1.10 -6 11 5 0.20 0.70 -6 11 5 1.40 0.80 6 11 -5 1.00 1.00 6 11 -5 1.10 0.90 -5 -11 5 -0.20 1.00 5 11 -5 -1.20 0.90 -5 11 5 0.00 0.70 -5 11 5 -0.40 0.60 5 11 -5 -0.40 0.80 -4 -11 5 43.00 2.20 -4 -11 5 39.70 2.20 4 -11 -5 40.90 1.20 4 -11 -5 40.40 1.20 -4 11 5 42.90 2.00 4 11 -5 45.70 2.10 4 11 -5 40.60 2.30 -4 11 5 41.20 1.80 -3 -11 5 7.90 1.10 -3 -11 5 5.50 1.10 3 -11 -5 6.50 0.80 3 -11 -5 8.20 1.00 -3 11 5 8.00 1.00 -3 11 5 4.90 0.80 3 11 -5 5.70 1.20 3 11 -5 5.10 1.00 2 -11 -5 148.89 3.60 -2 -11 5 150.38 4.00 2 -11 -5 150.58 3.40 -2 -11 5 161.48 4.30 -2 11 5 151.08 3.80 2 11 -5 154.88 4.30 -2 11 5 156.08 4.00 2 11 -5 155.48 4.10 1 -11 -5 0.60 0.60 -1 -11 5 0.20 0.90 1 -11 -5 2.10 0.70 -1 -11 5 -0.80 0.90 -1 11 5 0.60 0.70 -1 11 5 1.80 0.90 1 11 -5 0.60 1.00 1 11 -5 -0.30 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3.80 1.00 -7 -11 -5 2.70 1.30 7 -11 5 0.40 1.00 7 -11 5 1.80 0.80 7 11 5 2.00 1.20 -7 11 -5 1.30 1.00 8 -11 5 87.59 3.10 8 -11 5 87.69 2.80 -8 -11 -5 92.89 3.90 -8 11 -5 84.19 4.90 8 11 5 88.29 3.40 -8 11 -5 90.09 3.60 9 -11 5 0.30 0.80 9 -11 5 -2.40 1.00 -9 -11 -5 -1.10 1.50 -9 11 -5 0.10 1.30 9 11 5 1.50 1.40 -9 11 -5 -1.20 1.10 9 11 5 0.50 1.40 -10 -11 -5 42.60 3.60 10 -11 5 46.20 2.10 10 -11 5 44.60 2.40 -10 -11 -5 41.20 2.80 -10 11 -5 44.10 2.70 10 11 5 41.60 2.90 10 11 5 41.20 3.10 -10 11 -5 45.40 3.20 -11 -11 -5 0.60 1.60 11 -11 5 0.70 1.10 -11 -11 -5 0.20 1.90 11 -11 5 -0.80 0.80 11 11 5 -1.30 1.50 11 11 5 -1.00 1.70 -11 11 -5 0.50 1.70 -11 11 -5 0.10 1.30 12 -11 5 5.50 0.90 -12 -11 -5 1.20 2.20 12 -11 5 4.50 1.10 -12 11 -5 5.80 1.70 12 11 5 3.90 1.80 12 11 5 3.10 2.00 -12 11 -5 3.70 1.90 -13 -12 5 0.20 1.90 -13 -12 5 2.30 2.20 -13 12 5 2.50 1.10 13 12 -5 0.60 1.50 -12 -12 5 10.30 2.20 -12 -12 5 9.90 1.80 12 12 -5 7.60 1.60 12 12 -5 7.60 1.80 -12 12 5 10.70 1.20 -12 12 5 6.80 1.70 -11 -12 5 2.80 1.70 -11 -12 5 0.30 1.50 11 12 -5 2.00 1.20 -11 12 5 0.00 1.10 11 12 -5 -1.40 1.30 -11 12 5 1.30 0.90 -10 -12 5 17.10 2.00 -10 -12 5 14.60 1.80 -10 12 5 15.80 2.00 10 12 -5 16.00 2.10 -10 12 5 15.10 1.70 10 12 -5 15.10 1.70 -9 -12 5 0.50 1.20 -9 -12 5 2.60 1.40 -9 12 5 0.90 1.00 9 12 -5 -0.20 1.20 -9 12 5 2.00 0.90 9 12 -5 0.60 1.10 -8 -12 5 21.10 2.20 -8 -12 5 22.00 2.60 -8 12 5 20.00 1.90 8 12 -5 21.80 2.30 -8 12 5 16.20 1.60 8 12 -5 17.60 1.90 -7 -12 5 4.70 1.70 -7 -12 5 4.80 1.30 -7 12 5 2.80 1.00 -7 12 5 2.30 0.90 7 12 -5 6.10 1.40 7 12 -5 3.30 1.10 -6 -12 5 77.89 3.10 -6 -12 5 88.99 3.50 -6 12 5 88.69 2.90 -6 12 5 87.19 2.70 6 12 -5 89.59 3.30 6 12 -5 87.79 3.10 -5 -12 5 3.80 1.00 -5 -12 5 3.10 1.20 -5 12 5 3.40 1.00 -5 12 5 3.00 0.80 5 12 -5 2.90 1.00 5 12 -5 4.00 1.40 -4 -12 5 34.60 2.20 4 -12 -5 34.20 1.20 4 -12 -5 34.70 1.20 -4 -12 5 28.00 2.00 -4 12 5 34.70 1.80 -4 12 5 36.90 2.10 4 12 -5 36.70 2.10 3 -12 -5 6.20 0.70 -3 -12 5 5.90 1.20 3 -12 -5 5.20 0.70 -3 -12 5 5.80 1.30 -3 12 5 4.90 1.00 -3 12 5 5.80 1.00 3 12 -5 4.70 1.10 2 -12 -5 2.30 0.80 -2 -12 5 2.60 1.00 2 -12 -5 1.90 0.60 -2 -12 5 0.10 1.70 2 12 -5 2.00 2.00 2 12 -5 0.30 0.90 -2 12 5 1.50 0.80 -2 12 5 1.70 1.00 1 -12 -5 149.19 3.80 1 -12 -5 147.79 3.60 -1 -12 5 146.69 4.20 1 12 -5 148.79 4.10 -1 12 5 154.38 4.20 -1 12 5 151.98 3.90 1 12 -5 124.09 6.20 0 -12 5 246.48 6.00 0 -12 -5 248.08 5.80 0 -12 -5 246.78 5.50 0 -12 5 257.47 6.00 0 12 -5 246.38 5.90 0 12 5 259.97 6.00 0 12 5 252.17 5.80 1 -12 5 73.69 2.80 -1 -12 -5 65.59 2.70 1 -12 5 68.19 2.70 -1 -12 -5 72.99 2.40 -1 12 -5 66.59 2.70 1 12 5 67.69 2.60 -1 12 -5 53.49 4.70 1 12 5 71.69 2.90 -2 -12 -5 15.50 1.60 2 -12 5 16.70 1.90 2 -12 5 15.40 1.70 -2 -12 -5 16.10 1.70 2 12 5 13.50 1.40 -2 12 -5 14.90 1.80 2 12 5 14.60 2.30 -2 12 -5 17.00 1.80 -3 -12 -5 0.00 1.10 3 -12 5 1.10 1.00 3 -12 5 0.50 0.90 -3 -12 -5 0.00 0.80 -3 12 -5 0.90 1.00 3 12 5 0.10 0.90 -3 12 -5 2.00 1.20 3 12 5 0.20 1.10 4 -12 5 0.40 0.90 4 -12 5 -0.40 0.90 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3.50 1.70 -11 12 -5 1.40 1.80 -12 -12 -5 1.50 2.20 12 -12 5 4.70 1.10 12 -12 5 1.90 0.90 -12 12 -5 3.70 1.70 12 12 5 5.80 2.00 -12 12 -5 7.30 2.10 12 12 5 2.50 2.20 13 13 -5 -0.40 1.50 -13 13 5 0.90 1.20 -12 -13 5 5.60 2.30 -12 -13 5 3.60 1.90 -12 13 5 2.40 1.10 -12 13 5 0.70 1.50 12 13 -5 1.00 1.40 -11 -13 5 1.20 1.60 -11 -13 5 3.40 1.90 11 13 -5 1.20 1.30 -11 13 5 -0.20 1.90 -11 13 5 1.80 1.00 -10 -13 5 -1.10 1.70 -10 -13 5 0.60 1.50 -10 13 5 3.70 1.20 10 13 -5 -3.00 1.80 10 13 -5 -0.80 1.20 -10 13 5 3.00 1.00 -9 -13 5 32.50 3.20 -9 -13 5 27.80 2.70 -9 13 5 28.10 2.30 9 13 -5 30.00 2.50 -9 13 5 29.90 2.00 -8 -13 5 30.10 2.60 -8 -13 5 27.20 2.70 -8 13 5 27.70 2.20 8 13 -5 25.50 3.00 -8 13 5 27.60 1.90 8 13 -5 17.80 2.30 -7 -13 5 2.00 1.10 -7 -13 5 4.10 1.50 -7 13 5 2.10 1.10 7 13 -5 -0.10 1.10 -7 13 5 1.00 0.90 7 13 -5 1.20 1.30 -6 -13 5 1.60 1.30 6 13 -5 0.90 1.30 6 13 -5 -0.60 0.90 -6 13 5 0.70 1.00 -6 13 5 -0.20 0.80 5 -13 -5 3.00 0.30 -5 -13 5 3.10 1.50 5 -13 -5 2.50 0.30 -5 13 5 1.80 1.00 5 13 -5 1.60 1.10 5 13 -5 2.00 1.30 -5 13 5 3.50 0.90 -4 -13 5 34.30 2.40 4 -13 -5 31.10 1.30 4 -13 -5 30.20 1.20 4 13 -5 29.70 2.10 -4 13 5 33.80 2.20 4 13 -5 30.30 2.50 -4 13 5 31.70 1.90 -3 -13 5 50.59 2.70 -3 -13 5 44.20 2.50 3 -13 -5 54.09 1.90 3 -13 -5 52.29 1.70 -3 13 5 51.69 2.50 3 13 -5 51.39 2.40 3 13 -5 54.59 2.90 -3 13 5 49.10 2.20 -2 -13 5 64.29 2.80 -2 -13 5 64.59 2.80 2 -13 -5 61.09 2.10 2 13 -5 59.19 2.70 2 13 -5 64.29 3.10 -2 13 5 64.79 2.50 -2 13 5 66.49 2.80 1 -13 -5 47.10 2.20 -1 -13 5 49.50 2.50 1 -13 -5 48.20 1.90 1 13 -5 45.00 2.40 -1 13 5 47.60 2.30 1 13 -5 40.30 2.80 -1 13 5 51.59 2.70 0 -13 5 1.60 1.10 0 -13 -5 2.20 1.00 0 -13 5 0.90 1.10 0 -13 -5 2.80 0.90 0 13 5 1.80 1.90 0 13 5 2.50 1.00 0 13 -5 2.20 1.40 0 13 -5 1.60 1.10 1 -13 5 33.10 2.20 1 -13 5 36.20 2.60 -1 -13 -5 26.70 2.20 -1 -13 -5 37.80 2.00 1 13 5 34.30 2.40 1 13 5 32.30 2.20 -1 13 -5 32.40 2.00 2 -13 5 49.30 2.40 -2 -13 -5 47.80 2.20 -2 -13 -5 37.50 2.50 -2 13 -5 43.20 2.30 2 13 5 44.80 2.60 2 13 5 41.80 2.40 -2 13 -5 51.19 2.90 -3 -13 -5 7.40 1.20 3 -13 5 6.90 1.10 -3 -13 -5 4.50 1.30 3 13 5 6.20 1.40 -3 13 -5 7.70 1.20 -3 13 -5 8.90 1.60 3 13 5 4.80 1.20 -4 -13 -5 2.40 1.10 -4 -13 -5 0.60 1.20 4 -13 5 1.10 0.90 -4 13 -5 2.10 1.30 -4 13 -5 0.20 1.00 -5 -13 -5 4.80 2.50 5 -13 5 8.00 1.50 5 -13 5 7.00 1.10 -5 13 -5 5.30 2.00 -5 13 -5 8.00 1.60 5 13 5 8.10 1.40 6 -13 5 3.90 1.20 -6 -13 -5 3.80 1.50 6 -13 5 1.90 1.00 -6 13 -5 1.50 1.50 6 13 5 2.40 1.30 -6 13 -5 3.70 1.20 -7 -13 -5 22.60 2.50 7 -13 5 21.90 1.90 7 -13 5 25.80 2.30 -7 -13 -5 22.10 2.80 -7 13 -5 18.40 2.20 -7 13 -5 20.80 2.20 7 13 5 20.60 2.40 7 13 5 17.90 2.00 8 -13 5 54.09 2.40 -8 -13 -5 55.89 3.00 -8 -13 -5 56.49 3.40 8 -13 5 58.59 2.80 8 13 5 60.49 3.20 -8 13 -5 60.89 3.00 8 13 5 55.39 3.40 -8 13 -5 51.09 3.50 -9 -13 -5 0.20 1.80 9 -13 5 0.20 1.20 -9 -13 -5 -0.20 1.50 9 -13 5 -0.30 0.90 -9 13 -5 1.60 1.30 9 13 5 -2.00 1.50 9 13 5 1.00 1.50 10 -13 5 8.60 1.40 10 -13 5 9.80 1.20 -10 -13 -5 7.20 1.80 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53.89 4.80 -14 -6 9 45.50 2.80 -14 6 9 48.40 1.70 -14 6 9 49.10 1.70 -13 -6 9 14.60 1.60 -13 -6 9 19.40 2.40 -13 6 9 16.00 1.00 -13 6 9 16.50 1.00 -12 -6 9 7.30 1.20 -12 -6 9 7.00 1.30 -12 6 9 8.20 0.70 -12 6 9 9.30 0.70 -11 -6 9 4.50 1.10 -11 -6 9 4.50 1.20 -11 6 9 4.00 0.50 -11 6 9 4.00 0.40 -10 -6 9 0.30 0.90 -10 -6 9 0.90 0.90 10 6 -9 0.30 0.30 -10 6 9 0.20 0.20 10 6 -9 0.30 0.30 -9 -6 9 185.48 4.50 -9 -6 9 178.38 4.70 9 6 -9 177.08 3.70 9 6 -9 182.38 3.70 -8 -6 9 49.99 2.30 -8 -6 9 49.40 2.10 8 6 -9 51.49 1.60 8 6 -9 49.50 1.60 -8 6 9 43.10 1.10 -8 6 9 47.90 1.10 -7 -6 9 144.79 3.60 -7 -6 9 138.49 3.80 -7 6 9 134.19 2.80 7 6 -9 136.69 3.20 7 6 -9 137.69 3.20 -7 6 9 135.19 2.70 -6 -6 9 40.60 1.80 -6 -6 9 38.90 2.00 6 6 -9 39.80 1.50 -6 6 9 37.80 1.10 -6 6 9 39.70 1.20 6 6 -9 39.40 1.60 -5 -6 9 0.90 0.70 -5 -6 9 0.30 0.60 5 6 -9 0.10 0.60 -5 6 9 -0.20 0.30 5 6 -9 0.50 0.50 -5 6 9 -0.30 0.40 -4 -6 9 0.60 0.70 -4 -6 9 0.30 0.60 4 6 -9 0.40 0.50 -4 6 9 -0.20 0.40 4 6 -9 0.00 0.60 -4 6 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30.60 1.90 -4 -6 -9 26.30 1.80 4 -6 9 29.30 1.80 4 -6 9 27.30 1.90 4 6 9 26.00 1.70 4 6 9 29.50 1.90 -4 6 -9 29.00 1.80 -4 6 -9 28.70 2.10 5 -6 9 52.59 2.20 -5 -6 -9 49.20 2.20 -5 -6 -9 53.09 2.40 5 -6 9 50.09 2.40 -5 6 -9 56.19 2.30 5 6 9 50.79 2.30 -6 -6 -9 0.70 1.00 6 -6 9 1.70 0.90 -6 -6 -9 1.00 1.00 6 -6 9 2.30 1.20 6 6 9 0.70 1.00 -6 6 -9 0.40 0.90 -6 6 -9 1.20 1.10 6 6 9 1.80 0.90 7 -6 9 2.80 0.90 -7 -6 -9 2.30 1.10 -7 -6 -9 0.30 1.10 7 -6 9 3.40 1.10 -7 6 -9 1.10 1.10 7 6 9 1.00 1.00 -7 6 -9 1.80 1.00 7 6 9 3.00 1.10 8 -6 9 10.70 1.40 8 -6 9 9.20 1.20 -8 -6 -9 8.00 1.40 8 6 9 8.40 1.30 -8 6 -9 9.80 1.50 -8 6 -9 9.60 1.60 -9 -6 -9 10.00 1.60 9 -6 9 8.10 1.40 9 -6 9 8.10 1.20 -9 6 -9 9.50 1.60 9 6 9 5.60 1.40 -9 6 -9 9.00 1.40 10 -6 9 2.30 1.30 -10 -6 -9 3.60 1.60 -10 -6 -9 4.90 1.40 -10 6 -9 3.00 1.30 -10 6 -9 2.70 1.50 10 6 9 2.80 1.40 10 6 9 -0.10 1.30 -11 -6 -9 0.70 1.50 11 -6 9 -1.00 1.20 11 -6 9 0.00 1.10 -11 -6 -9 -1.90 1.50 11 6 9 -1.00 1.50 -11 6 -9 -1.10 1.40 -11 6 -9 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13.30 1.20 -3 -3 -10 10.10 1.10 -3 -3 -10 7.70 1.00 -3 3 -10 12.40 1.50 3 3 10 10.10 1.10 3 3 10 9.10 1.00 -3 3 -10 12.50 1.30 -4 -3 -10 24.60 1.60 4 -3 10 26.60 1.70 4 -3 10 28.00 1.80 -4 -3 -10 27.40 1.80 4 3 10 24.90 1.70 -4 3 -10 26.00 1.90 4 3 10 26.10 1.80 -4 3 -10 28.30 1.80 5 -3 10 -0.30 0.70 5 -3 10 0.40 0.80 -5 -3 -10 -0.60 0.80 -5 -3 -10 0.00 0.80 -5 3 -10 -0.80 0.90 -5 3 -10 0.20 0.80 5 3 10 1.40 0.90 5 3 10 0.80 0.80 6 -3 10 -1.40 0.70 -6 -3 -10 -0.60 0.80 -6 -3 -10 1.80 0.90 6 3 10 0.20 1.00 -6 3 -10 0.20 0.90 6 3 10 -0.20 0.80 -6 3 -10 0.30 0.90 -7 -3 -10 0.80 1.00 7 -3 10 -0.10 1.00 7 -3 10 0.80 0.90 7 3 10 1.20 0.90 -7 3 -10 0.90 0.90 7 3 10 0.70 1.00 8 -3 10 69.59 2.70 -8 -3 -10 68.49 3.10 8 -3 10 69.19 3.00 8 3 10 58.89 4.10 -8 3 -10 58.59 3.20 -9 -3 -10 6.70 1.40 -9 3 -10 8.10 1.30 9 3 10 5.60 1.30 -9 3 -10 4.40 1.30 -10 -3 -10 37.00 2.70 -10 -3 -10 30.20 2.70 10 -3 10 34.60 2.30 10 3 10 40.80 2.80 10 3 10 36.30 2.50 -10 3 -10 36.80 2.70 -10 3 -10 39.00 3.00 11 -3 10 0.40 1.20 -11 -3 -10 1.40 1.50 -11 -3 -10 -0.20 1.40 11 3 10 -1.20 1.50 11 3 10 -0.60 1.30 -11 3 -10 -2.00 1.50 -11 3 -10 2.70 1.50 12 -3 10 0.50 1.60 -12 -3 -10 -0.80 1.60 12 -3 10 -0.90 1.20 -12 -3 -10 -3.40 1.60 -12 3 -10 -2.90 1.50 12 3 10 -0.60 1.60 -12 3 -10 -2.20 1.70 12 3 10 -3.40 1.30 13 -3 10 10.80 2.10 -13 -3 -10 9.90 2.20 13 -3 10 10.10 1.60 -13 3 -10 8.30 2.00 13 3 10 8.50 1.80 13 3 10 5.30 2.00 -15 -4 10 -0.10 1.20 -15 -4 10 2.30 1.40 -15 4 10 0.00 0.70 -15 4 10 0.50 0.70 -14 -4 10 0.20 1.10 -14 -4 10 1.20 1.20 -14 4 10 -1.00 0.60 -14 4 10 1.60 0.60 -13 -4 10 0.60 1.10 -13 -4 10 -1.30 0.90 -13 4 10 -0.20 0.40 -13 4 10 0.40 0.40 -12 -4 10 8.80 1.10 -12 -4 10 10.40 1.20 -12 4 10 8.50 0.60 -12 4 10 8.60 0.60 -11 -4 10 -0.30 0.90 -11 -4 10 -0.70 0.80 -10 -4 10 38.50 2.00 -10 -4 10 40.80 1.90 -9 -4 10 -0.80 0.70 -9 -4 10 0.10 0.70 -8 -4 10 1.50 0.80 -8 -4 10 2.80 0.80 -7 -4 10 227.58 5.10 -7 -4 10 228.48 4.90 7 4 -10 218.18 4.20 -7 4 10 220.68 4.20 -7 4 10 220.68 4.20 7 4 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10.90 1.40 1 4 10 10.60 1.10 -1 4 -10 11.10 1.30 1 4 10 11.30 1.20 -2 -4 -10 23.00 1.60 2 -4 10 28.10 1.70 2 -4 10 28.80 1.60 -2 -4 -10 24.10 1.50 2 4 10 28.90 1.70 -2 4 -10 28.30 1.60 2 4 10 27.80 1.60 -2 4 -10 27.20 1.60 3 -4 10 40.80 1.90 -3 -4 -10 36.30 1.90 -3 -4 -10 35.60 1.80 3 -4 10 40.70 1.90 3 4 10 35.40 1.90 -3 4 -10 37.60 2.00 3 4 10 37.40 2.00 -3 4 -10 40.90 1.80 -4 -4 -10 63.39 2.40 4 -4 10 65.59 2.50 -4 -4 -10 64.59 2.50 4 -4 10 66.39 2.40 4 4 10 59.89 2.40 -4 4 -10 59.49 2.40 4 4 10 66.19 2.40 -4 4 -10 65.79 2.70 -5 -4 -10 8.30 1.10 -5 -4 -10 8.50 1.20 5 -4 10 9.60 1.20 5 -4 10 7.10 1.00 -5 4 -10 7.20 1.10 5 4 10 6.30 1.00 6 -4 10 20.80 1.60 -6 -4 -10 23.20 1.90 -6 -4 -10 19.50 1.80 6 -4 10 20.60 2.10 6 4 10 24.10 1.70 6 4 10 22.90 2.00 -6 4 -10 22.50 1.80 -7 -4 -10 2.10 1.10 -7 -4 -10 3.50 1.10 7 -4 10 3.70 0.90 7 -4 10 3.30 1.10 7 4 10 3.70 1.00 -7 4 -10 2.10 1.00 7 4 10 2.70 1.10 8 -4 10 -1.20 1.10 -8 -4 -10 -0.20 1.10 8 -4 10 -0.30 0.80 8 4 10 -0.40 1.00 -8 4 -10 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2.30 -9 -5 10 1.20 0.80 -9 -5 10 0.10 0.80 -8 -5 10 23.60 1.60 -8 -5 10 21.70 1.70 8 5 -10 20.10 0.80 8 5 -10 18.30 0.80 -7 -5 10 146.69 3.90 -7 -5 10 147.19 3.70 -7 5 10 145.69 2.90 7 5 -10 150.08 3.20 7 5 -10 143.39 3.10 -7 5 10 146.09 2.90 -6 -5 10 1.60 0.70 -6 -5 10 0.40 0.70 -6 5 10 0.10 0.30 -6 5 10 0.10 0.30 6 5 -10 0.80 0.50 6 5 -10 0.40 0.50 -5 -5 10 4.00 0.80 -5 -5 10 3.70 0.80 5 5 -10 3.60 0.60 5 5 -10 3.70 0.60 -5 5 10 3.50 0.40 -5 5 10 3.90 0.50 -4 -5 10 0.30 0.60 -4 -5 10 -0.60 0.70 -4 5 10 0.20 0.40 4 5 -10 0.20 0.60 -4 5 10 -0.10 0.40 4 5 -10 -0.50 0.50 -3 -5 10 30.00 1.50 -3 -5 10 28.70 1.60 3 5 -10 30.80 1.40 -3 5 10 32.20 1.30 3 5 -10 29.40 1.60 -3 5 10 30.20 1.20 -2 -5 10 66.29 2.30 2 -5 -10 62.99 1.60 -2 -5 10 62.09 2.20 2 -5 -10 60.59 1.60 2 5 -10 62.09 2.00 2 5 -10 64.59 2.20 -2 5 10 64.09 1.90 -2 5 10 61.29 1.80 1 -5 -10 12.00 1.00 1 -5 -10 12.20 0.90 -1 -5 10 13.10 1.40 -1 -5 10 11.50 1.30 1 5 -10 13.50 1.20 -1 5 10 13.10 1.10 -1 5 10 12.30 1.10 1 5 -10 16.20 1.50 0 -5 -10 12.90 1.10 0 -5 -10 14.50 1.20 0 -5 10 14.10 1.40 0 -5 10 13.10 1.30 0 5 -10 13.80 1.30 0 5 10 14.20 1.30 0 5 10 13.70 1.20 0 5 -10 14.70 1.50 -1 -5 -10 11.10 1.30 1 -5 10 9.50 1.00 1 -5 10 10.40 1.30 -1 -5 -10 10.10 1.10 -1 5 -10 12.00 1.30 1 5 10 11.70 1.30 1 5 10 10.30 1.20 2 -5 10 51.79 2.10 2 -5 10 54.69 2.10 -2 -5 -10 50.19 2.00 -2 -5 -10 49.50 2.00 2 5 10 49.90 2.00 2 5 10 52.49 2.10 -2 5 -10 54.99 2.20 -2 5 -10 51.49 2.10 -3 -5 -10 125.69 3.50 -3 -5 -10 128.49 3.50 3 -5 10 132.79 3.60 3 -5 10 129.19 3.50 3 5 10 126.69 3.50 3 5 10 117.29 3.40 -3 5 -10 129.29 3.50 -3 5 -10 127.79 3.70 4 -5 10 235.28 5.50 -4 -5 -10 236.38 5.40 -4 -5 -10 224.48 5.50 4 -5 10 233.98 5.40 4 5 10 221.18 5.40 -4 5 -10 244.88 5.70 4 5 10 231.28 5.40 -4 5 -10 225.18 5.40 5 -5 10 16.40 1.60 -5 -5 -10 12.60 2.00 5 -5 10 12.10 2.30 -5 -5 -10 16.20 1.80 5 5 10 15.90 1.80 -5 5 -10 14.70 1.50 5 5 10 17.70 1.60 -5 5 -10 14.50 1.70 -6 -5 -10 7.20 1.20 6 -5 10 6.20 1.10 6 -5 10 5.60 1.20 -6 -5 -10 8.30 1.30 -6 5 -10 5.40 1.00 6 5 10 6.10 1.10 6 5 10 4.90 1.20 -7 -5 -10 24.30 2.40 7 -5 10 23.40 2.20 7 -5 10 26.60 1.90 7 5 10 25.10 2.30 -7 5 -10 26.90 2.40 7 5 10 15.90 2.00 8 -5 10 3.10 1.10 8 -5 10 1.50 1.20 -8 5 -10 2.70 1.20 8 5 10 3.60 1.20 -8 5 -10 1.90 1.10 9 -5 10 18.10 2.30 -9 -5 -10 18.60 1.90 9 5 10 19.40 2.00 -9 5 -10 15.90 1.80 -9 5 -10 24.10 2.40 9 5 10 20.90 2.30 -10 -5 -10 11.60 1.70 10 -5 10 11.80 1.50 -10 -5 -10 9.40 1.80 10 5 10 12.90 1.60 -10 5 -10 13.60 1.80 -10 5 -10 14.00 1.90 10 5 10 12.60 1.90 11 -5 10 -0.60 1.20 -11 -5 -10 1.40 1.70 -11 -5 -10 -1.40 1.50 11 5 10 -0.10 1.40 -11 5 -10 0.40 1.60 -11 5 -10 -3.60 1.30 11 5 10 -0.40 1.60 12 -5 10 1.60 1.60 12 -5 10 -0.40 1.30 -12 -5 -10 0.90 1.80 -12 5 -10 1.30 1.90 -12 5 -10 0.40 1.60 12 5 10 -1.70 1.80 12 5 10 0.20 1.50 -15 -6 10 9.20 1.80 -15 -6 10 7.00 1.60 -15 6 10 7.40 0.80 -15 6 10 5.20 0.80 -14 -6 10 2.40 1.30 -14 6 10 1.00 0.50 -14 6 10 1.80 0.60 -13 -6 10 22.90 2.50 -13 -6 10 23.40 2.20 -13 6 10 21.80 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-3 7 21 0.37 0.00 -2 7 21 -0.58 0.00 -6 0 22 0.57 0.00 -4 0 22 0.58 0.00 -2 0 22 0.33 0.00 0 0 22 0.59 0.00 -6 1 22 -0.11 0.00 -5 1 22 -0.51 0.00 -4 1 22 -0.05 0.00 -3 1 22 -0.22 0.00 -2 1 22 0.18 0.00 -1 1 22 -0.35 0.00 0 1 22 0.29 0.00 -6 2 22 0.13 0.00 -5 2 22 0.18 0.00 -4 2 22 0.03 0.00 -3 2 22 -0.01 0.00 -2 2 22 -0.04 0.00 -1 2 22 -0.23 0.00 -5 3 22 0.09 0.00 -4 3 22 -0.16 0.00 -3 3 22 0.24 0.00 -2 3 22 -0.06 0.00 -1 3 22 -0.13 0.00 -4 4 22 -0.22 0.00 -3 4 22 0.15 0.00 -2 4 22 -0.04 0.00 1 1 0 -67.12 0.00 0 2 0 54.15 0.00 15 9 0 -0.23 0.00 13 13 0 -0.24 0.00 -1 0 1 -75.91 0.00 1 0 1 -61.88 0.00 -1 1 1 2.23 0.00 0 1 1 68.18 0.00 1 1 1 -0.36 0.00 0 2 1 -1.20 0.00 16 5 1 0.50 0.00 -16 6 1 0.26 0.00 -13 13 1 0.09 0.00 8 18 1 0.15 0.00 4 20 1 0.31 0.00 -2 0 2 60.72 0.00 0 0 2 59.26 0.00 -1 1 2 -59.91 0.00 0 1 2 -1.67 0.00 16 3 2 -0.07 0.00 16 4 2 0.50 0.00 15 8 2 0.10 0.00 11 15 2 0.25 0.00 4 20 2 0.04 0.00 16 1 3 0.55 0.00 16 2 3 -0.03 0.00 15 7 3 -0.02 0.00 14 10 3 0.05 0.00 13 12 3 0.11 0.00 10 16 3 -0.22 0.00 6 19 3 0.23 0.00 15 6 4 0.01 0.00 -16 7 4 0.42 0.00 12 13 4 0.27 0.00 -4 20 4 0.23 0.00 3 20 4 -0.55 0.00 15 5 5 0.14 0.00 11 14 5 0.35 0.00 8 17 5 -0.45 0.00 -8 18 5 0.67 0.00 5 19 5 0.13 0.00 -3 20 5 -0.24 0.00 2 20 5 0.47 0.00 15 2 6 0.21 0.00 15 3 6 -0.51 0.00 13 10 6 -0.39 0.00 12 12 6 -0.40 0.00 -13 13 6 -0.17 0.00 -8 18 6 0.33 0.00 6 18 6 -0.05 0.00 -6 19 6 0.31 0.00 4 19 6 0.27 0.00 -2 20 6 0.15 0.00 -1 20 6 -0.15 0.00 0 20 6 0.10 0.00 -16 6 7 0.00 0.00 14 6 7 -0.10 0.00 -15 9 7 -0.12 0.00 13 9 7 -0.15 0.00 -9 17 7 -0.43 0.00 7 17 7 0.14 0.00 14 4 8 0.29 0.00 -16 6 8 -0.06 0.00 13 8 8 0.09 0.00 -14 11 8 -0.18 0.00 11 12 8 -0.18 0.00 -12 14 8 -0.29 0.00 -11 15 8 0.33 0.00 -10 16 8 -0.19 0.00 -7 18 8 -0.12 0.00 2 19 8 0.48 0.00 -16 5 9 0.02 0.00 9 14 9 -0.15 0.00 8 15 9 0.21 0.00 7 16 9 -0.09 0.00 -8 17 9 0.11 0.00 -3 19 9 0.07 0.00 -2 19 9 -0.02 0.00 -1 19 9 0.45 0.00 0 19 9 0.08 0.00 -16 4 10 0.01 0.00 12 8 10 -0.28 0.00 -14 10 10 -0.01 0.00 10 12 10 -0.81 0.00 -12 13 10 0.13 0.00 -9 16 10 0.07 0.00 -16 1 11 -0.16 0.00 -16 2 11 0.72 0.00 -15 7 11 -0.01 0.00 11 9 11 -0.14 0.00 10 11 11 -0.83 0.00 -3 18 11 0.10 0.00 0 18 11 -0.06 0.00 12 4 12 -0.18 0.00 -15 6 12 0.08 0.00 -12 12 12 -0.02 0.00 -9 15 12 0.29 0.00 4 16 12 0.40 0.00 2 17 12 0.09 0.00 -15 4 13 -0.10 0.00 9 10 13 0.27 0.00 -3 17 13 0.24 0.00 -2 17 13 0.01 0.00 -1 17 13 0.16 0.00 -15 1 14 -0.15 0.00 11 1 14 0.43 0.00 -15 2 14 -0.38 0.00 10 6 14 -0.16 0.00 -13 9 14 0.42 0.00 -10 13 14 -0.16 0.00 -7 15 14 -0.07 0.00 3 15 14 0.36 0.00 10 3 15 -0.63 0.00 -14 5 15 -0.13 0.00 9 7 15 -0.78 0.00 8 9 15 0.21 0.00 -11 11 15 -0.12 0.00 -10 12 15 -0.01 0.00 -9 13 15 0.00 0.00 1 15 15 -0.44 0.00 -14 0 16 -0.62 0.00 -14 1 16 -0.29 0.00 -14 2 16 -0.24 0.00 9 4 16 -0.10 0.00 -13 6 16 -0.17 0.00 8 7 16 0.91 0.00 7 9 16 -0.34 0.00 -11 10 16 -0.32 0.00 -10 11 16 0.12 0.00 -9 12 16 0.01 0.00 3 13 16 0.61 0.00 -6 14 16 0.26 0.00 1 14 16 -0.54 0.00 -13 4 17 -0.56 0.00 8 4 17 0.43 0.00 7 7 17 -0.95 0.00 -10 10 17 0.12 0.00 5 10 17 -0.40 0.00 -9 11 17 0.08 0.00 4 11 17 0.28 0.00 3 12 17 0.05 0.00 -6 13 17 0.05 0.00 1 13 17 -0.28 0.00 7 4 18 -0.71 0.00 -11 7 18 -0.05 0.00 5 8 18 -0.98 0.00 2 11 18 -0.04 0.00 0 12 18 0.26 0.00 6 2 19 0.42 0.00 6 3 19 -0.85 0.00 5 6 19 -0.10 0.00 -9 8 19 -0.01 0.00 -8 9 19 -0.03 0.00 -7 10 19 0.06 0.00 -5 11 19 0.13 0.00 -4 11 19 0.18 0.00 -1 11 19 -0.23 0.00 -10 4 20 -0.19 0.00 4 4 20 -0.51 0.00 -9 6 20 -0.05 0.00 3 6 20 -0.43 0.00 -7 8 20 0.08 0.00 -6 9 20 -0.37 0.00 0 9 20 0.23 0.00 -9 0 21 -0.30 0.00 3 0 21 -0.04 0.00 -9 1 21 0.01 0.00 3 1 21 -0.12 0.00 -9 2 21 -0.02 0.00 3 2 21 -0.10 0.00 2 4 21 0.13 0.00 -7 6 21 -0.09 0.00 1 6 21 0.16 0.00 -6 7 21 -0.10 0.00 -1 7 21 0.00 0.00 -7 1 22 -0.21 0.00 0 2 22 0.45 0.00 -6 3 22 -0.15 0.00 0 3 22 -0.01 0.00 -5 4 22 0.22 0.00 -1 4 22 0.19 0.00 -4 5 22 -0.20 0.00 -3 5 22 0.21 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 120 40 ' ' 2 0.500 0.000 1.000 120 40 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 1 0 2.024 0 2 0 2.528 -1 0 1 1.781 1 0 1 2.150 -1 1 1 2.184 0 1 1 1.731 1 1 1 2.494 0 2 1 2.791 -2 0 2 3.565 0 0 2 2.365 -1 1 2 2.872 0 1 2 2.682 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL mo_molan50P 21/nk_0m_a R = 0.08 CELL 13.1307 16.1160 17.5545 90.00 101.15 90.00 SPGR P21/n # Solvent Accessible Volume = 240 # Electrons Found in S.A.V. = 80 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.559 0.976 0.048 ! 4.73 eA-3 C102 0.543 0.038 0.072 ! 3.62 eA-3 C103 0.998 0.580 0.477 ! 3.52 eA-3 Q104 0.839 0.786 0.043 ! 0.86 eA-3 ) ; _shelx_fab_checksum 68633 data_mo_molan508e_293k_0m_a_sq _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' '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' 'Fe' 'Fe' 0.3463 0.8444 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.1666(7) _cell_length_b 16.1319(9) _cell_length_c 17.6152(10) _cell_angle_alpha 90 _cell_angle_beta 100.981(2) _cell_angle_gamma 90 _cell_volume 3673.0(4) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 9895 _cell_measurement_theta_min 2.98 _cell_measurement_theta_max 26.87 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.292 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.457 _shelx_estimated_absorpt_T_min 0.765 _shelx_estimated_absorpt_T_max 0.964 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6592 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 49967 _diffrn_reflns_av_unetI/netI 0.0273 _diffrn_reflns_av_R_equivalents 0.0456 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.977 _diffrn_reflns_theta_max 27.148 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 8112 _reflns_number_gt 5759 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0453P)^2^+2.6836P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 8112 _refine_ls_number_parameters 537 _refine_ls_number_restraints 136 _refine_ls_R_factor_all 0.0721 _refine_ls_R_factor_gt 0.0427 _refine_ls_wR_factor_ref 0.1180 _refine_ls_wR_factor_gt 0.0970 _refine_ls_goodness_of_fit_ref 1.045 _refine_ls_restrained_S_all 1.041 _refine_ls_shift/su_max 0.088 _refine_ls_shift/su_mean 0.001 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 Fe1 Fe 0.66323(2) 0.27499(2) 0.45015(2) 0.03302(10) Uani 1 1 d . . . . . O1 O 1.22678(12) 0.25605(13) 0.25137(10) 0.0527(5) Uani 1 1 d . . . . . O2 O 0.10300(14) 0.25170(13) 0.65581(12) 0.0633(6) Uani 1 1 d . . . . . N1 N 0.71218(13) 0.33445(11) 0.37448(10) 0.0326(4) Uani 1 1 d . . . . . N2 N 0.79482(13) 0.31800(11) 0.34437(10) 0.0338(4) Uani 1 1 d . . . . . N3 N 0.86128(13) 0.20901(11) 0.43544(10) 0.0346(4) Uani 1 1 d . . . . . N4 N 0.77595(13) 0.20520(11) 0.46488(10) 0.0326(4) Uani 1 1 d . . . . . N5 N 0.55374(13) 0.20396(11) 0.44076(10) 0.0309(4) Uani 1 1 d . . . . . N6 N 0.46982(13) 0.20647(11) 0.47178(10) 0.0318(4) Uani 1 1 d . . . . . N7 N 0.52653(13) 0.32741(11) 0.54985(10) 0.0340(4) Uani 1 1 d . . . . . N8 N 0.60818(13) 0.34012(11) 0.51723(10) 0.0333(4) Uani 1 1 d D . . . . C1 C 0.65139(16) 0.39955(13) 0.33148(13) 0.0355(5) Uani 1 1 d . . . . . C2 C 0.54795(18) 0.40935(17) 0.33629(15) 0.0479(6) Uani 1 1 d . . . . . H2 H 0.517269 0.372653 0.365858 0.058 Uiso 1 1 calc R U . . . C3 C 0.4901(2) 0.47365(19) 0.29718(17) 0.0593(7) Uani 1 1 d . . . . . H3 H 0.421193 0.480012 0.301482 0.071 Uiso 1 1 calc R U . . . C4 C 0.5332(2) 0.52787(17) 0.25231(18) 0.0591(7) Uani 1 1 d . . . . . H4 H 0.494323 0.571150 0.226677 0.071 Uiso 1 1 calc R U . . . C5 C 0.6348(2) 0.51707(17) 0.24591(18) 0.0603(7) Uani 1 1 d . . . . . H5 H 0.664223 0.552666 0.214640 0.072 Uiso 1 1 calc R U . . . C6 C 0.69384(19) 0.45411(16) 0.28524(16) 0.0490(6) Uani 1 1 d . . . . . H6 H 0.762686 0.448280 0.280650 0.059 Uiso 1 1 calc R U . . . C7 C 0.86394(15) 0.26241(13) 0.37755(12) 0.0310(4) Uani 1 1 d . . . . . C8 C 0.96019(16) 0.25786(13) 0.34498(12) 0.0311(4) Uani 1 1 d . . . . . C9 C 0.95947(16) 0.27738(14) 0.26810(12) 0.0347(5) Uani 1 1 d . . . . . H9 H 0.897656 0.292482 0.236084 0.042 Uiso 1 1 calc R U . . . C10 C 1.04878(17) 0.27468(14) 0.23872(12) 0.0371(5) Uani 1 1 d . . . . . H10 H 1.046669 0.287005 0.186863 0.045 Uiso 1 1 calc R U . . . C11 C 1.14222(16) 0.25371(14) 0.28578(13) 0.0339(5) Uani 1 1 d . . . . . C12 C 1.14490(17) 0.23340(15) 0.36250(13) 0.0386(5) Uani 1 1 d . . . . . H12 H 1.206935 0.218559 0.394363 0.046 Uiso 1 1 calc R U . . . C13 C 1.05408(17) 0.23544(15) 0.39120(13) 0.0395(5) Uani 1 1 d . . . . . H13 H 1.055838 0.221485 0.442655 0.047 Uiso 1 1 calc R U . . . C14 C 1.3249(2) 0.2385(2) 0.29784(19) 0.0753(10) Uani 1 1 d . . . . . H14A H 1.377575 0.243787 0.267191 0.113 Uiso 1 1 calc R U . . . H14B H 1.325125 0.183040 0.317551 0.113 Uiso 1 1 calc R U . . . H14C H 1.338462 0.276933 0.340204 0.113 Uiso 1 1 calc R U . . . C15 C 0.78050(16) 0.13647(14) 0.51761(12) 0.0341(5) Uani 1 1 d . . . . . C16 C 0.8263(2) 0.06209(15) 0.50343(15) 0.0497(6) Uani 1 1 d . . . . . H16 H 0.855048 0.056077 0.459440 0.060 Uiso 1 1 calc R U . . . C17 C 0.8292(2) -0.00291(17) 0.55458(17) 0.0610(7) Uani 1 1 d . . . . . H17 H 0.860633 -0.052475 0.545099 0.073 Uiso 1 1 calc R U . . . C18 C 0.7860(2) 0.00472(17) 0.61960(16) 0.0561(7) Uani 1 1 d . . . . . H18 H 0.787615 -0.039613 0.653559 0.067 Uiso 1 1 calc R U . . . C19 C 0.7406(2) 0.07810(18) 0.63387(15) 0.0528(7) Uani 1 1 d . . . . . H19 H 0.711394 0.083489 0.677699 0.063 Uiso 1 1 calc R U . . . C20 C 0.73800(18) 0.14426(15) 0.58346(13) 0.0420(5) Uani 1 1 d . . . . . H20 H 0.707663 0.194021 0.593798 0.050 Uiso 1 1 calc R U . . . C21 C 0.55199(15) 0.13385(13) 0.39009(12) 0.0311(4) Uani 1 1 d . . . . . C22 C 0.5197(2) 0.05735(15) 0.41137(15) 0.0483(6) Uani 1 1 d . . . . . H22 H 0.496588 0.051368 0.457780 0.058 Uiso 1 1 calc R U . . . C23 C 0.5217(2) -0.01014(16) 0.36372(17) 0.0554(7) Uani 1 1 d . . . . . H23 H 0.501668 -0.061871 0.378922 0.067 Uiso 1 1 calc R U . . . C24 C 0.5532(2) -0.00188(16) 0.29382(17) 0.0533(7) Uani 1 1 d . . . . . H24 H 0.553827 -0.047504 0.261645 0.064 Uiso 1 1 calc R U . . . C25 C 0.5834(2) 0.07454(17) 0.27243(16) 0.0534(7) Uani 1 1 d . . . . . H25 H 0.604100 0.080639 0.225128 0.064 Uiso 1 1 calc R U . . . C26 C 0.58365(17) 0.14284(15) 0.32007(13) 0.0398(5) Uani 1 1 d . . . . . H26 H 0.604910 0.194290 0.305107 0.048 Uiso 1 1 calc R U . . . C27 C 0.46185(15) 0.26489(13) 0.52430(11) 0.0293(4) Uani 1 1 d . . . . . C28 C 0.36806(15) 0.25898(13) 0.55948(12) 0.0312(4) Uani 1 1 d . . . . . C29 C 0.33615(18) 0.32540(16) 0.59915(15) 0.0449(6) Uani 1 1 d . . . . . H29 H 0.374941 0.373952 0.604812 0.054 Uiso 1 1 calc R U . . . C30 C 0.24799(19) 0.32062(17) 0.63027(16) 0.0517(7) Uani 1 1 d . . . . . H30 H 0.227649 0.366111 0.656172 0.062 Uiso 1 1 calc R U . . . C31 C 0.18962(17) 0.24923(16) 0.62346(14) 0.0418(5) Uani 1 1 d . . . . . C32 C 0.22158(17) 0.18135(16) 0.58658(13) 0.0416(5) Uani 1 1 d . . . . . H32 H 0.184189 0.132151 0.583357 0.050 Uiso 1 1 calc R U . . . C33 C 0.30948(17) 0.18659(15) 0.55434(13) 0.0376(5) Uani 1 1 d . . . . . H33 H 0.329779 0.140857 0.528752 0.045 Uiso 1 1 calc R U . . . C34 C 0.0287(2) 0.1878(2) 0.63608(17) 0.0648(8) Uani 1 1 d . . . . . H34A H 0.010169 0.183319 0.580821 0.097 Uiso 1 1 calc R U . . . H34B H -0.031837 0.200704 0.656796 0.097 Uiso 1 1 calc R U . . . H34C H 0.057317 0.136189 0.657251 0.097 Uiso 1 1 calc R U . . . C35 C 0.6705(8) 0.4076(7) 0.5560(7) 0.035(5) Uani 0.326(3) 1 d DG U P A 1 C36 C 0.6585(8) 0.4884(8) 0.5282(7) 0.045(4) Uani 0.326(3) 1 d G . P A 1 H36 H 0.610247 0.499957 0.483591 0.054 Uiso 0.326(3) 1 calc R U P A 1 C37 C 0.7186(10) 0.5517(6) 0.5669(9) 0.044(4) Uani 0.326(3) 1 d G . P A 1 H37 H 0.710586 0.605745 0.548271 0.053 Uiso 0.326(3) 1 calc R U P A 1 C38 C 0.7907(10) 0.5344(7) 0.6335(8) 0.062(5) Uani 0.326(3) 1 d G U P A 1 H38 H 0.830932 0.576799 0.659455 0.074 Uiso 0.326(3) 1 calc R U P A 1 C39 C 0.8027(9) 0.4537(9) 0.6614(6) 0.050(4) Uani 0.326(3) 1 d G . P A 1 H39 H 0.850939 0.442066 0.705960 0.060 Uiso 0.326(3) 1 calc R U P A 1 C40 C 0.7426(9) 0.3903(6) 0.6226(7) 0.037(4) Uani 0.326(3) 1 d G . P A 1 H40 H 0.750601 0.336278 0.641281 0.044 Uiso 0.326(3) 1 calc R U P A 1 C35' C 0.6710(8) 0.4075(6) 0.5578(6) 0.030(3) Uani 0.347(3) 1 d DG U P A 2 C36' C 0.6874(8) 0.4806(6) 0.5201(5) 0.047(3) Uani 0.347(3) 1 d G . P A 2 H36' H 0.655847 0.488447 0.468715 0.057 Uiso 0.347(3) 1 calc R U P A 2 C37' C 0.7509(8) 0.5418(5) 0.5592(7) 0.053(3) Uani 0.347(3) 1 d G . P A 2 H37' H 0.761851 0.590737 0.534014 0.063 Uiso 0.347(3) 1 calc R U P A 2 C38' C 0.7980(8) 0.5300(6) 0.6360(7) 0.057(4) Uani 0.347(3) 1 d G . P A 2 H38' H 0.840471 0.571047 0.662223 0.069 Uiso 0.347(3) 1 calc R U P A 2 C39' C 0.7816(8) 0.4570(7) 0.6737(5) 0.044(3) Uani 0.347(3) 1 d G . P A 2 H39' H 0.813089 0.449068 0.725135 0.052 Uiso 0.347(3) 1 calc R U P A 2 C40' C 0.7181(8) 0.3957(5) 0.6346(6) 0.036(3) Uani 0.347(3) 1 d G . P A 2 H40' H 0.707086 0.346778 0.659838 0.043 Uiso 0.347(3) 1 calc R U P A 2 C35" C 0.6705(7) 0.4056(6) 0.5519(6) 0.041(4) Uani 0.327(3) 1 d DG U P A 3 C36" C 0.6324(7) 0.4859(7) 0.5412(7) 0.053(3) Uani 0.327(3) 1 d G . P A 3 H36" H 0.568270 0.495588 0.509766 0.063 Uiso 0.327(3) 1 calc R U P A 3 C37" C 0.6901(9) 0.5519(5) 0.5774(8) 0.059(4) Uani 0.327(3) 1 d G . P A 3 H37" H 0.664564 0.605671 0.570274 0.070 Uiso 0.327(3) 1 calc R U P A 3 C38" C 0.7859(9) 0.5375(6) 0.6244(7) 0.066(5) Uani 0.327(3) 1 d G . P A 3 H38" H 0.824472 0.581622 0.648658 0.080 Uiso 0.327(3) 1 calc R U P A 3 C39" C 0.8240(7) 0.4571(7) 0.6351(6) 0.078(5) Uani 0.327(3) 1 d G . P A 3 H39" H 0.888087 0.447489 0.666534 0.094 Uiso 0.327(3) 1 calc R U P A 3 C40" C 0.7663(8) 0.3912(5) 0.5989(6) 0.058(4) Uani 0.327(3) 1 d G . P A 3 H40" H 0.791794 0.337404 0.606027 0.069 Uiso 0.327(3) 1 calc R U P A 3 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 Fe1 0.02700(16) 0.03754(18) 0.03776(18) -0.00166(14) 0.01440(12) -0.00254(13) O1 0.0304(8) 0.0837(13) 0.0480(10) 0.0119(9) 0.0172(7) 0.0057(8) O2 0.0380(10) 0.0862(14) 0.0744(13) -0.0200(11) 0.0327(9) -0.0099(9) N1 0.0244(8) 0.0328(9) 0.0419(10) -0.0032(8) 0.0093(7) -0.0033(7) N2 0.0285(9) 0.0360(10) 0.0388(10) -0.0009(8) 0.0109(8) -0.0011(7) N3 0.0276(9) 0.0411(11) 0.0373(10) 0.0021(8) 0.0116(7) 0.0000(7) N4 0.0325(9) 0.0364(10) 0.0312(9) -0.0009(7) 0.0120(7) -0.0038(7) N5 0.0308(9) 0.0336(10) 0.0315(9) 0.0004(7) 0.0138(7) -0.0004(7) N6 0.0274(8) 0.0390(10) 0.0310(9) -0.0005(8) 0.0106(7) -0.0018(7) N7 0.0287(9) 0.0385(10) 0.0369(10) -0.0019(8) 0.0115(7) -0.0023(7) N8 0.0278(8) 0.0351(10) 0.0382(10) -0.0010(8) 0.0095(7) -0.0030(7) C1 0.0300(10) 0.0322(11) 0.0431(12) -0.0046(9) 0.0038(9) 0.0001(9) C2 0.0332(12) 0.0576(16) 0.0529(15) 0.0025(12) 0.0081(11) 0.0032(11) C3 0.0382(14) 0.0707(19) 0.0670(18) -0.0001(15) 0.0049(13) 0.0157(13) C4 0.0519(16) 0.0439(15) 0.075(2) 0.0010(14) -0.0029(14) 0.0134(12) C5 0.0556(16) 0.0451(15) 0.077(2) 0.0153(14) 0.0056(15) -0.0028(13) C6 0.0355(12) 0.0441(14) 0.0673(17) 0.0092(12) 0.0098(12) -0.0022(10) C7 0.0249(9) 0.0375(12) 0.0311(10) -0.0020(9) 0.0069(8) -0.0022(8) C8 0.0290(10) 0.0319(11) 0.0338(11) 0.0003(9) 0.0098(9) -0.0003(8) C9 0.0265(10) 0.0426(12) 0.0342(11) 0.0017(10) 0.0039(8) 0.0021(9) C10 0.0365(11) 0.0458(13) 0.0306(11) 0.0042(10) 0.0103(9) 0.0028(10) C11 0.0267(10) 0.0380(12) 0.0393(12) 0.0008(9) 0.0118(9) -0.0020(9) C12 0.0280(10) 0.0484(14) 0.0390(12) 0.0079(10) 0.0055(9) 0.0045(10) C13 0.0341(11) 0.0525(14) 0.0330(11) 0.0095(10) 0.0091(9) 0.0048(10) C14 0.0283(13) 0.125(3) 0.075(2) 0.018(2) 0.0164(13) 0.0073(15) C15 0.0326(11) 0.0366(12) 0.0332(11) 0.0018(9) 0.0067(9) -0.0053(9) C16 0.0658(17) 0.0413(14) 0.0459(14) 0.0000(11) 0.0205(13) 0.0011(12) C17 0.083(2) 0.0378(14) 0.0642(18) 0.0024(13) 0.0186(16) 0.0050(14) C18 0.0701(18) 0.0460(15) 0.0518(16) 0.0168(12) 0.0106(14) -0.0074(13) C19 0.0593(16) 0.0602(17) 0.0433(14) 0.0116(12) 0.0206(12) -0.0037(13) C20 0.0447(13) 0.0435(13) 0.0404(13) 0.0035(10) 0.0148(10) 0.0018(10) C21 0.0272(10) 0.0337(11) 0.0339(11) -0.0018(9) 0.0092(8) -0.0008(8) C22 0.0672(17) 0.0380(13) 0.0447(14) 0.0018(11) 0.0233(13) -0.0054(12) C23 0.0692(18) 0.0310(13) 0.0691(18) 0.0010(12) 0.0208(15) -0.0046(12) C24 0.0515(15) 0.0412(14) 0.0719(18) -0.0219(13) 0.0242(13) -0.0049(11) C25 0.0578(16) 0.0572(17) 0.0536(15) -0.0175(13) 0.0317(13) -0.0109(13) C26 0.0433(12) 0.0392(12) 0.0421(12) -0.0039(10) 0.0215(10) -0.0091(10) C27 0.0261(9) 0.0357(11) 0.0265(10) 0.0016(8) 0.0055(8) 0.0010(8) C28 0.0265(9) 0.0384(12) 0.0289(10) -0.0011(9) 0.0061(8) -0.0008(8) C29 0.0383(12) 0.0434(14) 0.0579(15) -0.0103(11) 0.0214(11) -0.0060(10) C30 0.0423(13) 0.0514(16) 0.0677(17) -0.0177(13) 0.0268(13) 0.0000(11) C31 0.0293(11) 0.0583(15) 0.0406(12) -0.0053(11) 0.0139(10) -0.0025(10) C32 0.0344(11) 0.0490(14) 0.0438(13) -0.0026(11) 0.0137(10) -0.0096(10) C33 0.0354(11) 0.0416(13) 0.0380(12) -0.0055(10) 0.0129(10) -0.0029(9) C34 0.0368(13) 0.099(2) 0.0625(18) -0.0029(17) 0.0191(13) -0.0170(15) C35 0.030(6) 0.033(5) 0.043(6) -0.003(4) 0.013(3) -0.004(4) C36 0.057(8) 0.035(5) 0.047(6) -0.004(4) 0.021(6) 0.005(4) C37 0.053(8) 0.029(5) 0.059(6) -0.006(4) 0.027(6) 0.004(4) C38 0.062(7) 0.059(6) 0.065(6) -0.003(4) 0.014(4) -0.009(4) C39 0.042(8) 0.061(6) 0.047(6) -0.004(5) 0.010(5) -0.015(4) C40 0.020(6) 0.039(5) 0.055(7) 0.006(4) 0.016(5) -0.003(3) C35' 0.026(5) 0.029(4) 0.036(4) -0.006(3) 0.009(3) -0.004(3) C36' 0.061(7) 0.038(4) 0.042(5) 0.000(3) 0.007(5) -0.007(4) C37' 0.061(7) 0.033(4) 0.066(5) -0.011(4) 0.015(5) -0.006(4) C38' 0.064(8) 0.042(6) 0.064(6) -0.022(5) 0.007(5) -0.022(5) C39' 0.034(5) 0.051(4) 0.048(5) -0.015(3) 0.012(4) -0.004(3) C40' 0.028(6) 0.047(4) 0.036(4) -0.006(3) 0.013(4) -0.003(3) C35" 0.038(5) 0.044(5) 0.043(5) 0.000(4) 0.016(3) -0.003(3) C36" 0.057(6) 0.047(4) 0.056(6) -0.007(4) 0.015(5) 0.003(4) C37" 0.072(7) 0.043(5) 0.068(7) -0.012(4) 0.031(6) -0.005(4) C38" 0.073(8) 0.043(6) 0.083(10) -0.018(6) 0.014(6) -0.032(5) C39" 0.055(6) 0.059(5) 0.108(11) -0.013(6) -0.017(7) -0.020(4) C40" 0.044(5) 0.040(5) 0.083(8) -0.004(5) -0.003(5) -0.011(4) _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 Fe1 N5 1.8242(17) . ? Fe1 N8 1.8308(17) . ? Fe1 N4 1.8415(18) . ? Fe1 N1 1.8546(18) . ? O1 C11 1.366(2) . ? O1 C14 1.420(3) . ? O2 C31 1.369(3) . ? O2 C34 1.418(3) . ? N1 N2 1.325(2) . ? N1 C1 1.444(3) . ? N2 C7 1.331(3) . ? N3 N4 1.325(2) . ? N3 C7 1.340(3) . ? N4 C15 1.440(3) . ? N5 N6 1.323(2) . ? N5 C21 1.438(3) . ? N6 C27 1.339(3) . ? N7 N8 1.328(2) . ? N7 C27 1.341(3) . ? N8 C35" 1.404(7) . ? N8 C35 1.453(7) . ? N8 C35' 1.466(7) . ? C1 C6 1.387(3) . ? C1 C2 1.390(3) . ? C2 C3 1.390(4) . ? C2 H2 0.9300 . ? C3 C4 1.372(4) . ? C3 H3 0.9300 . ? C4 C5 1.375(4) . ? C4 H4 0.9300 . ? C5 C6 1.382(4) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C7 C8 1.489(3) . ? C8 C9 1.389(3) . ? C8 C13 1.392(3) . ? C9 C10 1.373(3) . ? C9 H9 0.9300 . ? C10 C11 1.388(3) . ? C10 H10 0.9300 . ? C11 C12 1.384(3) . ? C12 C13 1.384(3) . ? C12 H12 0.9300 . ? C13 H13 0.9300 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 C20 1.386(3) . ? C15 C16 1.387(3) . ? C16 C17 1.378(4) . ? C16 H16 0.9300 . ? C17 C18 1.378(4) . ? C17 H17 0.9300 . ? C18 C19 1.371(4) . ? C18 H18 0.9300 . ? C19 C20 1.385(3) . ? C19 H19 0.9300 . ? C20 H20 0.9300 . ? C21 C22 1.380(3) . ? C21 C26 1.383(3) . ? C22 C23 1.378(4) . ? C22 H22 0.9300 . ? C23 C24 1.378(4) . ? C23 H23 0.9300 . ? C24 C25 1.370(4) . ? C24 H24 0.9300 . ? C25 C26 1.385(3) . ? C25 H25 0.9300 . ? C26 H26 0.9300 . ? C27 C28 1.486(3) . ? C28 C29 1.387(3) . ? C28 C33 1.393(3) . ? C29 C30 1.377(3) . ? C29 H29 0.9300 . ? C30 C31 1.377(3) . ? C30 H30 0.9300 . ? C31 C32 1.379(3) . ? C32 C33 1.385(3) . ? C32 H32 0.9300 . ? C33 H33 0.9300 . ? C34 H34A 0.9600 . ? C34 H34B 0.9600 . ? C34 H34C 0.9600 . ? C35 C36 1.3900 . ? C35 C40 1.3900 . ? C36 C37 1.3900 . ? C36 H36 0.9300 . ? C37 C38 1.3900 . ? C37 H37 0.9300 . ? C38 C39 1.3900 . ? C38 H38 0.9300 . ? C39 C40 1.3900 . ? C39 H39 0.9300 . ? C40 H40 0.9300 . ? C35' C36' 1.3900 . ? C35' C40' 1.3900 . ? C36' C37' 1.3900 . ? C36' H36' 0.9300 . ? C37' C38' 1.3900 . ? C37' H37' 0.9300 . ? C38' C39' 1.3900 . ? C38' H38' 0.9300 . ? C39' C40' 1.3900 . ? C39' H39' 0.9300 . ? C40' H40' 0.9300 . ? C35" C36" 1.3900 . ? C35" C40" 1.3900 . ? C36" C37" 1.3900 . ? C36" H36" 0.9300 . ? C37" C38" 1.3900 . ? C37" H37" 0.9300 . ? C38" C39" 1.3900 . ? C38" H38" 0.9300 . ? C39" C40" 1.3900 . ? C39" H39" 0.9300 . ? C40" H40" 0.9300 . ? 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 N5 Fe1 N8 90.91(7) . . ? N5 Fe1 N4 103.33(8) . . ? N8 Fe1 N4 131.87(8) . . ? N5 Fe1 N1 129.53(8) . . ? N8 Fe1 N1 113.68(8) . . ? N4 Fe1 N1 92.08(7) . . ? C11 O1 C14 117.9(2) . . ? C31 O2 C34 117.9(2) . . ? N2 N1 C1 110.55(17) . . ? N2 N1 Fe1 127.48(14) . . ? C1 N1 Fe1 121.28(13) . . ? N1 N2 C7 120.27(18) . . ? N4 N3 C7 118.32(17) . . ? N3 N4 C15 110.72(17) . . ? N3 N4 Fe1 129.57(14) . . ? C15 N4 Fe1 119.66(13) . . ? N6 N5 C21 111.37(16) . . ? N6 N5 Fe1 130.61(14) . . ? C21 N5 Fe1 117.98(13) . . ? N5 N6 C27 119.24(17) . . ? N8 N7 C27 119.06(17) . . ? N7 N8 C35" 112.5(5) . . ? N7 N8 C35 110.1(5) . . ? N7 N8 C35' 109.4(5) . . ? N7 N8 Fe1 130.04(14) . . ? C35" N8 Fe1 116.2(5) . . ? C35 N8 Fe1 118.4(5) . . ? C35' N8 Fe1 119.0(5) . . ? C6 C1 C2 118.2(2) . . ? C6 C1 N1 121.62(19) . . ? C2 C1 N1 120.2(2) . . ? C1 C2 C3 120.4(2) . . ? C1 C2 H2 119.8 . . ? C3 C2 H2 119.8 . . ? C4 C3 C2 120.9(2) . . ? C4 C3 H3 119.5 . . ? C2 C3 H3 119.5 . . ? C3 C4 C5 118.8(3) . . ? C3 C4 H4 120.6 . . ? C5 C4 H4 120.6 . . ? C4 C5 C6 121.0(3) . . ? C4 C5 H5 119.5 . . ? C6 C5 H5 119.5 . . ? C5 C6 C1 120.6(2) . . ? C5 C6 H6 119.7 . . ? C1 C6 H6 119.7 . . ? N2 C7 N3 130.72(18) . . ? N2 C7 C8 115.14(18) . . ? N3 C7 C8 114.14(18) . . ? C9 C8 C13 118.01(19) . . ? C9 C8 C7 121.09(19) . . ? C13 C8 C7 120.90(19) . . ? C10 C9 C8 120.9(2) . . ? C10 C9 H9 119.6 . . ? C8 C9 H9 119.6 . . ? C9 C10 C11 120.5(2) . . ? C9 C10 H10 119.7 . . ? C11 C10 H10 119.7 . . ? O1 C11 C12 124.6(2) . . ? O1 C11 C10 115.65(19) . . ? C12 C11 C10 119.71(19) . . ? C13 C12 C11 119.2(2) . . ? C13 C12 H12 120.4 . . ? C11 C12 H12 120.4 . . ? C12 C13 C8 121.7(2) . . ? C12 C13 H13 119.2 . . ? C8 C13 H13 119.2 . . ? O1 C14 H14A 109.5 . . ? O1 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O1 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C20 C15 C16 119.2(2) . . ? C20 C15 N4 119.7(2) . . ? C16 C15 N4 121.06(19) . . ? C17 C16 C15 120.0(2) . . ? C17 C16 H16 120.0 . . ? C15 C16 H16 120.0 . . ? C18 C17 C16 120.7(3) . . ? C18 C17 H17 119.6 . . ? C16 C17 H17 119.6 . . ? C19 C18 C17 119.5(2) . . ? C19 C18 H18 120.2 . . ? C17 C18 H18 120.2 . . ? C18 C19 C20 120.4(2) . . ? C18 C19 H19 119.8 . . ? C20 C19 H19 119.8 . . ? C19 C20 C15 120.1(2) . . ? C19 C20 H20 119.9 . . ? C15 C20 H20 119.9 . . ? C22 C21 C26 119.8(2) . . ? C22 C21 N5 120.25(18) . . ? C26 C21 N5 119.95(19) . . ? C23 C22 C21 119.9(2) . . ? C23 C22 H22 120.1 . . ? C21 C22 H22 120.1 . . ? C24 C23 C22 120.8(2) . . ? C24 C23 H23 119.6 . . ? C22 C23 H23 119.6 . . ? C25 C24 C23 119.0(2) . . ? C25 C24 H24 120.5 . . ? C23 C24 H24 120.5 . . ? C24 C25 C26 121.1(2) . . ? C24 C25 H25 119.4 . . ? C26 C25 H25 119.4 . . ? C21 C26 C25 119.4(2) . . ? C21 C26 H26 120.3 . . ? C25 C26 H26 120.3 . . ? N6 C27 N7 129.26(18) . . ? N6 C27 C28 115.07(18) . . ? N7 C27 C28 115.67(18) . . ? C29 C28 C33 117.59(19) . . ? C29 C28 C27 121.05(19) . . ? C33 C28 C27 121.36(19) . . ? C30 C29 C28 121.1(2) . . ? C30 C29 H29 119.5 . . ? C28 C29 H29 119.5 . . ? C29 C30 C31 120.7(2) . . ? C29 C30 H30 119.6 . . ? C31 C30 H30 119.6 . . ? O2 C31 C30 115.8(2) . . ? O2 C31 C32 124.9(2) . . ? C30 C31 C32 119.3(2) . . ? C31 C32 C33 119.9(2) . . ? C31 C32 H32 120.1 . . ? C33 C32 H32 120.1 . . ? C32 C33 C28 121.3(2) . . ? C32 C33 H33 119.3 . . ? C28 C33 H33 119.3 . . ? O2 C34 H34A 109.5 . . ? O2 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O2 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C36 C35 C40 120.0 . . ? C36 C35 N8 121.3(9) . . ? C40 C35 N8 118.7(9) . . ? C37 C36 C35 120.0 . . ? C37 C36 H36 120.0 . . ? C35 C36 H36 120.0 . . ? C36 C37 C38 120.0 . . ? C36 C37 H37 120.0 . . ? C38 C37 H37 120.0 . . ? C39 C38 C37 120.0 . . ? C39 C38 H38 120.0 . . ? C37 C38 H38 120.0 . . ? C38 C39 C40 120.0 . . ? C38 C39 H39 120.0 . . ? C40 C39 H39 120.0 . . ? C39 C40 C35 120.0 . . ? C39 C40 H40 120.0 . . ? C35 C40 H40 120.0 . . ? C36' C35' C40' 120.0 . . ? C36' C35' N8 121.3(7) . . ? C40' C35' N8 118.6(7) . . ? C37' C36' C35' 120.0 . . ? C37' C36' H36' 120.0 . . ? C35' C36' H36' 120.0 . . ? C36' C37' C38' 120.0 . . ? C36' C37' H37' 120.0 . . ? C38' C37' H37' 120.0 . . ? C39' C38' C37' 120.0 . . ? C39' C38' H38' 120.0 . . ? C37' C38' H38' 120.0 . . ? C40' C39' C38' 120.0 . . ? C40' C39' H39' 120.0 . . ? C38' C39' H39' 120.0 . . ? C39' C40' C35' 120.0 . . ? C39' C40' H40' 120.0 . . ? C35' C40' H40' 120.0 . . ? C36" C35" C40" 120.0 . . ? C36" C35" N8 118.5(7) . . ? C40" C35" N8 121.5(7) . . ? C35" C36" C37" 120.0 . . ? C35" C36" H36" 120.0 . . ? C37" C36" H36" 120.0 . . ? C38" C37" C36" 120.0 . . ? C38" C37" H37" 120.0 . . ? C36" C37" H37" 120.0 . . ? C37" C38" C39" 120.0 . . ? C37" C38" H38" 120.0 . . ? C39" C38" H38" 120.0 . . ? C40" C39" C38" 120.0 . . ? C40" C39" H39" 120.0 . . ? C38" C39" H39" 120.0 . . ? C39" C40" C35" 120.0 . . ? C39" C40" H40" 120.0 . . ? C35" C40" H40" 120.0 . . ? _refine_diff_density_max 0.229 _refine_diff_density_min -0.369 _refine_diff_density_rms 0.057 _shelx_res_file ; TITL mo_molan508e_293K_0m_a.res in P2(1)/n mo_molan508e_293k_0m_a_sq.res created by SHELXL-2018/1 at 14:03:35 on 22-Oct-2018 REM Old TITL mo_molan508e_293K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.154, Rweak 0.002, Alpha 0.030, Orientation as input REM Formula found by SHELXT: C43 N9 O Fe CELL 0.71073 13.1666 16.1319 17.6152 90.000 100.981 90.000 ZERR 4.000 0.0007 0.0009 0.0010 0.000 0.002 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C N O FE H UNIT 160 32 8 4 136 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP 19.850 SIZE 0.080 0.360 0.620 L.S. 5 0 23 BOND $H dfix 1.44 0.01 N8 C35 N8 C35' N8 C35" rigu 0.002 C35 > C40 rigu 0.002 C35' > C40' rigu 0.002 C35" > C40" sump 1 0.0001 1 2 1 3 1 4 isor 0.005 C38 c35 C35' C35" PLAN 5 ACTA ABIN WGHT 0.045300 2.683600 FVAR 0.20802 0.32603 0.34714 0.32683 FE1 4 0.663226 0.274993 0.450151 11.00000 0.02700 0.03754 = 0.03776 -0.00166 0.01440 -0.00254 O1 3 1.226784 0.256050 0.251367 11.00000 0.03040 0.08367 = 0.04799 0.01189 0.01722 0.00565 O2 3 0.102999 0.251702 0.655811 11.00000 0.03796 0.08624 = 0.07444 -0.02000 0.03271 -0.00994 N1 2 0.712177 0.334446 0.374476 11.00000 0.02444 0.03283 = 0.04185 -0.00321 0.00932 -0.00328 N2 2 0.794820 0.317997 0.344367 11.00000 0.02849 0.03597 = 0.03884 -0.00086 0.01094 -0.00107 N3 2 0.861277 0.209006 0.435435 11.00000 0.02762 0.04111 = 0.03730 0.00211 0.01160 0.00000 N4 2 0.775954 0.205202 0.464877 11.00000 0.03250 0.03644 = 0.03117 -0.00086 0.01200 -0.00377 N5 2 0.553738 0.203958 0.440758 11.00000 0.03081 0.03358 = 0.03147 0.00038 0.01375 -0.00036 N6 2 0.469819 0.206468 0.471782 11.00000 0.02736 0.03897 = 0.03096 -0.00045 0.01062 -0.00175 N7 2 0.526528 0.327408 0.549850 11.00000 0.02869 0.03851 = 0.03695 -0.00187 0.01149 -0.00233 N8 2 0.608181 0.340125 0.517234 11.00000 0.02775 0.03514 = 0.03820 -0.00104 0.00953 -0.00297 C1 1 0.651391 0.399553 0.331485 11.00000 0.03004 0.03216 = 0.04306 -0.00461 0.00377 0.00009 C2 1 0.547947 0.409346 0.336293 11.00000 0.03320 0.05758 = 0.05293 0.00251 0.00812 0.00318 AFIX 43 H2 5 0.517269 0.372653 0.365858 11.00000 -1.20000 AFIX 0 C3 1 0.490071 0.473646 0.297181 11.00000 0.03822 0.07066 = 0.06700 -0.00012 0.00486 0.01572 AFIX 43 H3 5 0.421193 0.480012 0.301482 11.00000 -1.20000 AFIX 0 C4 1 0.533156 0.527866 0.252308 11.00000 0.05191 0.04391 = 0.07540 0.00099 -0.00295 0.01341 AFIX 43 H4 5 0.494323 0.571150 0.226677 11.00000 -1.20000 AFIX 0 C5 1 0.634776 0.517066 0.245910 11.00000 0.05559 0.04515 = 0.07743 0.01528 0.00563 -0.00278 AFIX 43 H5 5 0.664223 0.552666 0.214640 11.00000 -1.20000 AFIX 0 C6 1 0.693843 0.454110 0.285240 11.00000 0.03555 0.04413 = 0.06732 0.00916 0.00985 -0.00216 AFIX 43 H6 5 0.762686 0.448280 0.280650 11.00000 -1.20000 AFIX 0 C7 1 0.863945 0.262410 0.377552 11.00000 0.02492 0.03748 = 0.03106 -0.00195 0.00687 -0.00216 C8 1 0.960193 0.257860 0.344978 11.00000 0.02900 0.03189 = 0.03381 0.00031 0.00981 -0.00031 C9 1 0.959472 0.277380 0.268095 11.00000 0.02654 0.04258 = 0.03415 0.00173 0.00388 0.00212 AFIX 43 H9 5 0.897656 0.292482 0.236084 11.00000 -1.20000 AFIX 0 C10 1 1.048782 0.274682 0.238716 11.00000 0.03646 0.04577 = 0.03063 0.00417 0.01025 0.00277 AFIX 43 H10 5 1.046669 0.287005 0.186863 11.00000 -1.20000 AFIX 0 C11 1 1.142222 0.253710 0.285782 11.00000 0.02671 0.03803 = 0.03929 0.00077 0.01182 -0.00199 C12 1 1.144896 0.233396 0.362499 11.00000 0.02802 0.04844 = 0.03896 0.00786 0.00547 0.00448 AFIX 43 H12 5 1.206935 0.218559 0.394363 11.00000 -1.20000 AFIX 0 C13 1 1.054082 0.235441 0.391197 11.00000 0.03411 0.05248 = 0.03299 0.00954 0.00915 0.00476 AFIX 43 H13 5 1.055838 0.221485 0.442655 11.00000 -1.20000 AFIX 0 C14 1 1.324939 0.238533 0.297844 11.00000 0.02831 0.12479 = 0.07536 0.01770 0.01643 0.00732 AFIX 137 H14A 5 1.377575 0.243787 0.267191 11.00000 -1.50000 H14B 5 1.325125 0.183040 0.317551 11.00000 -1.50000 H14C 5 1.338462 0.276933 0.340204 11.00000 -1.50000 AFIX 0 C15 1 0.780500 0.136467 0.517609 11.00000 0.03259 0.03655 = 0.03318 0.00175 0.00665 -0.00527 C16 1 0.826298 0.062093 0.503430 11.00000 0.06577 0.04127 = 0.04591 -0.00003 0.02046 0.00114 AFIX 43 H16 5 0.855048 0.056077 0.459440 11.00000 -1.20000 AFIX 0 C17 1 0.829184 -0.002915 0.554579 11.00000 0.08300 0.03779 = 0.06416 0.00243 0.01863 0.00498 AFIX 43 H17 5 0.860633 -0.052475 0.545099 11.00000 -1.20000 AFIX 0 C18 1 0.785993 0.004715 0.619595 11.00000 0.07005 0.04599 = 0.05176 0.01685 0.01058 -0.00736 AFIX 43 H18 5 0.787615 -0.039613 0.653559 11.00000 -1.20000 AFIX 0 C19 1 0.740616 0.078101 0.633867 11.00000 0.05929 0.06022 = 0.04328 0.01162 0.02061 -0.00370 AFIX 43 H19 5 0.711394 0.083489 0.677699 11.00000 -1.20000 AFIX 0 C20 1 0.737997 0.144256 0.583460 11.00000 0.04473 0.04349 = 0.04042 0.00353 0.01476 0.00184 AFIX 43 H20 5 0.707663 0.194021 0.593798 11.00000 -1.20000 AFIX 0 C21 1 0.551994 0.133849 0.390087 11.00000 0.02716 0.03371 = 0.03389 -0.00183 0.00915 -0.00085 C22 1 0.519690 0.057354 0.411371 11.00000 0.06721 0.03798 = 0.04474 0.00176 0.02330 -0.00542 AFIX 43 H22 5 0.496588 0.051368 0.457780 11.00000 -1.20000 AFIX 0 C23 1 0.521734 -0.010138 0.363723 11.00000 0.06919 0.03104 = 0.06907 0.00097 0.02083 -0.00455 AFIX 43 H23 5 0.501668 -0.061871 0.378922 11.00000 -1.20000 AFIX 0 C24 1 0.553156 -0.001883 0.293823 11.00000 0.05154 0.04120 = 0.07193 -0.02187 0.02417 -0.00486 AFIX 43 H24 5 0.553827 -0.047504 0.261645 11.00000 -1.20000 AFIX 0 C25 1 0.583397 0.074543 0.272434 11.00000 0.05777 0.05723 = 0.05357 -0.01751 0.03173 -0.01088 AFIX 43 H25 5 0.604100 0.080639 0.225128 11.00000 -1.20000 AFIX 0 C26 1 0.583646 0.142838 0.320069 11.00000 0.04329 0.03922 = 0.04209 -0.00395 0.02152 -0.00909 AFIX 43 H26 5 0.604910 0.194290 0.305107 11.00000 -1.20000 AFIX 0 C27 1 0.461849 0.264890 0.524305 11.00000 0.02608 0.03566 = 0.02647 0.00156 0.00547 0.00104 C28 1 0.368057 0.258979 0.559483 11.00000 0.02645 0.03841 = 0.02892 -0.00107 0.00610 -0.00076 C29 1 0.336150 0.325398 0.599147 11.00000 0.03825 0.04339 = 0.05795 -0.01030 0.02142 -0.00604 AFIX 43 H29 5 0.374941 0.373952 0.604812 11.00000 -1.20000 AFIX 0 C30 1 0.247991 0.320624 0.630272 11.00000 0.04230 0.05140 = 0.06771 -0.01770 0.02677 0.00002 AFIX 43 H30 5 0.227649 0.366111 0.656172 11.00000 -1.20000 AFIX 0 C31 1 0.189624 0.249228 0.623463 11.00000 0.02929 0.05832 = 0.04061 -0.00534 0.01390 -0.00246 C32 1 0.221579 0.181351 0.586580 11.00000 0.03438 0.04902 = 0.04383 -0.00262 0.01372 -0.00960 AFIX 43 H32 5 0.184189 0.132151 0.583357 11.00000 -1.20000 AFIX 0 C33 1 0.309478 0.186593 0.554342 11.00000 0.03541 0.04164 = 0.03801 -0.00553 0.01286 -0.00294 AFIX 43 H33 5 0.329779 0.140857 0.528752 11.00000 -1.20000 AFIX 0 C34 1 0.028657 0.187818 0.636076 11.00000 0.03676 0.09913 = 0.06245 -0.00290 0.01912 -0.01702 AFIX 137 H34A 5 0.010169 0.183319 0.580821 11.00000 -1.50000 H34B 5 -0.031837 0.200704 0.656796 11.00000 -1.50000 H34C 5 0.057317 0.136189 0.657251 11.00000 -1.50000 AFIX 66 PART 1 21.00 C35 1 0.670475 0.407630 0.556023 21.00000 0.02955 0.03338 = 0.04309 -0.00350 0.01299 -0.00384 C36 1 0.658489 0.488354 0.528161 21.00000 0.05673 0.03522 = 0.04652 -0.00378 0.02141 0.00523 AFIX 43 H36 5 0.610247 0.499957 0.483591 21.00000 -1.20000 AFIX 65 C37 1 0.718606 0.551735 0.566913 21.00000 0.05262 0.02870 = 0.05852 -0.00592 0.02740 0.00435 AFIX 43 H37 5 0.710586 0.605745 0.548271 21.00000 -1.20000 AFIX 65 C38 1 0.790710 0.534393 0.633527 21.00000 0.06231 0.05875 = 0.06485 -0.00288 0.01363 -0.00902 AFIX 43 H38 5 0.830932 0.576799 0.659455 21.00000 -1.20000 AFIX 65 C39 1 0.802697 0.453669 0.661390 21.00000 0.04189 0.06098 = 0.04749 -0.00398 0.00973 -0.01458 AFIX 43 H39 5 0.850939 0.442066 0.705960 21.00000 -1.20000 AFIX 65 C40 1 0.742580 0.390287 0.622639 21.00000 0.02026 0.03945 = 0.05476 0.00559 0.01563 -0.00337 AFIX 43 H40 5 0.750601 0.336278 0.641281 21.00000 -1.20000 AFIX 66 PART 2 31.000 C35' 1 0.670957 0.407471 0.557801 31.00000 0.02648 0.02883 = 0.03553 -0.00611 0.00936 -0.00416 C36' 1 0.687363 0.480554 0.520109 31.00000 0.06060 0.03762 = 0.04219 0.00001 0.00742 -0.00744 AFIX 43 H36' 5 0.655847 0.488447 0.468715 31.00000 -1.20000 AFIX 65 C37' 1 0.750874 0.541839 0.559232 31.00000 0.06102 0.03323 = 0.06559 -0.01074 0.01533 -0.00593 AFIX 43 H37' 5 0.761851 0.590737 0.534014 31.00000 -1.20000 AFIX 65 C38' 1 0.797979 0.530043 0.636048 31.00000 0.06364 0.04195 = 0.06446 -0.02209 0.00668 -0.02222 AFIX 43 H38' 5 0.840471 0.571047 0.662223 31.00000 -1.20000 AFIX 65 C39' 1 0.781573 0.456961 0.673741 31.00000 0.03362 0.05137 = 0.04763 -0.01491 0.01158 -0.00436 AFIX 43 H39' 5 0.813089 0.449068 0.725135 31.00000 -1.20000 AFIX 65 C40' 1 0.718063 0.395675 0.634619 31.00000 0.02799 0.04656 = 0.03565 -0.00572 0.01292 -0.00288 AFIX 43 H40' 5 0.707086 0.346778 0.659838 31.00000 -1.20000 AFIX 66 PART 3 41.000 C35" 1 0.670484 0.405582 0.551897 41.00000 0.03761 0.04438 = 0.04342 0.00002 0.01601 -0.00276 C36" 1 0.632371 0.485947 0.541187 41.00000 0.05684 0.04685 = 0.05589 -0.00702 0.01463 0.00317 AFIX 43 H36" 5 0.568270 0.495588 0.509766 41.00000 -1.20000 AFIX 65 C37" 1 0.690065 0.551902 0.577440 41.00000 0.07163 0.04304 = 0.06799 -0.01151 0.03074 -0.00512 AFIX 43 H37" 5 0.664564 0.605671 0.570274 41.00000 -1.20000 AFIX 65 C38" 1 0.785872 0.537493 0.624403 41.00000 0.07269 0.04251 = 0.08320 -0.01763 0.01382 -0.03184 AFIX 43 H38" 5 0.824472 0.581622 0.648658 41.00000 -1.20000 AFIX 65 C39" 1 0.823986 0.457129 0.635113 41.00000 0.05484 0.05924 = 0.10834 -0.01322 -0.01705 -0.01982 AFIX 43 H39" 5 0.888087 0.447489 0.666534 41.00000 -1.20000 AFIX 65 C40" 1 0.766293 0.391173 0.598861 41.00000 0.04424 0.03979 = 0.08256 -0.00400 -0.00317 -0.01091 AFIX 43 H40" 5 0.791794 0.337404 0.606027 41.00000 -1.20000 part 0 AFIX 0 HKLF 4 REM mo_molan508e_293K_0m_a.res in P2(1)/n REM R1 = 0.0427 for 5759 Fo > 4sig(Fo) and 0.0721 for all 8112 data REM 537 parameters refined using 136 restraints END WGHT 0.0453 2.6836 REM Highest difference peak 0.229, deepest hole -0.369, 1-sigma level 0.057 Q1 1 0.0070 0.2769 0.6496 11.00000 0.05 0.23 Q2 1 0.7802 0.1391 0.5576 11.00000 0.05 0.23 Q3 1 0.6253 0.4176 0.4304 11.00000 0.05 0.22 Q4 1 0.9145 0.2661 0.3639 11.00000 0.05 0.22 Q5 1 0.7849 0.4185 0.5093 11.00000 0.05 0.21 ; _shelx_res_checksum 16103 _shelx_hkl_file ; 2 0 0 257.57 4.70 -2 0 0 263.57 4.60 -2 0 0 262.47 4.60 2 0 0 243.48 4.70 3 0 0 -0.70 0.20 -3 0 0 -0.20 0.20 -3 0 0 -0.40 0.20 -4 0 0 359.06 6.50 -4 0 0 359.46 6.50 4 0 0 357.36 6.50 4 0 0 349.96 6.50 -5 0 0 0.00 0.20 -5 0 0 -0.50 0.30 5 0 0 -0.40 0.30 5 0 0 -0.20 0.30 -6 0 0 506.45 9.20 6 0 0 503.55 9.30 6 0 0 510.25 9.30 -6 0 0 493.95 9.10 -7 0 0 0.00 0.30 -7 0 0 0.30 0.40 7 0 0 0.30 0.40 7 0 0 0.50 0.40 8 0 0 79.69 2.10 -8 0 0 80.29 1.90 -8 0 0 77.69 1.90 8 0 0 79.49 2.20 9 0 0 0.00 0.50 -9 0 0 -0.10 0.40 9 0 0 0.80 0.60 -9 0 0 0.30 0.40 -10 0 0 218.88 4.40 -10 0 0 213.28 4.40 10 0 0 219.58 4.90 10 0 0 220.98 4.80 11 0 0 -0.20 0.80 11 0 0 -0.30 0.70 -11 0 0 0.00 0.50 -11 0 0 0.00 0.50 12 0 0 11.70 1.20 -12 0 0 13.20 1.00 12 0 0 9.90 1.20 -12 0 0 12.00 0.90 13 0 0 -0.40 1.00 -13 0 0 -1.00 0.40 -13 0 0 -0.20 0.40 13 0 0 -1.00 1.00 14 0 0 4.70 1.20 14 0 0 3.50 1.20 15 0 0 -0.90 1.30 15 0 0 -1.30 1.30 16 0 0 34.20 3.10 16 0 0 39.70 3.20 2 -1 0 884.61 15.90 -2 -1 0 862.21 15.90 -2 -1 0 870.21 15.80 2 -1 0 877.01 15.90 -2 1 0 869.81 15.80 2 1 0 888.51 16.00 2 1 0 867.31 15.90 -2 1 0 889.51 15.90 -3 -1 0 1298.27 22.90 3 -1 0 1272.57 22.90 -3 -1 0 1289.37 23.00 3 -1 0 1267.87 23.20 3 1 0 1273.27 23.00 3 1 0 1279.27 22.80 -3 1 0 1314.97 23.20 -3 1 0 1192.08 22.40 4 -1 0 6.40 0.50 -4 -1 0 6.60 0.40 -4 -1 0 6.80 0.40 4 -1 0 7.10 0.60 -4 1 0 7.90 0.50 4 1 0 7.10 0.50 -4 1 0 6.90 0.50 4 1 0 6.70 0.50 5 -1 0 97.59 2.20 -5 -1 0 99.19 2.00 5 -1 0 96.79 2.20 -5 -1 0 96.79 2.00 5 1 0 96.19 2.10 -5 1 0 96.79 2.10 -5 1 0 97.09 2.10 5 1 0 96.79 2.10 6 -1 0 21.70 1.00 6 -1 0 23.30 1.00 -6 -1 0 22.10 0.80 -6 -1 0 22.80 0.80 -6 1 0 23.10 0.90 6 1 0 22.90 1.00 -6 1 0 22.70 0.90 6 1 0 22.10 0.90 -7 -1 0 119.49 2.50 7 -1 0 116.59 2.80 7 -1 0 118.49 2.70 -7 -1 0 122.79 2.50 -7 1 0 121.29 2.60 -7 1 0 114.19 2.60 7 1 0 116.09 2.70 7 1 0 117.49 2.60 -8 -1 0 2.80 0.40 -8 -1 0 2.40 0.40 8 -1 0 2.60 0.50 8 -1 0 2.40 0.60 8 1 0 2.50 0.50 -8 1 0 1.80 0.50 -8 1 0 1.60 0.50 8 1 0 1.70 0.50 -9 -1 0 0.40 0.40 9 -1 0 0.90 0.60 9 -1 0 0.00 0.60 -9 -1 0 0.30 0.40 9 1 0 -0.10 0.60 -9 1 0 0.30 0.50 -9 1 0 -0.20 0.40 9 1 0 0.70 0.60 10 -1 0 47.50 2.00 -10 -1 0 44.80 1.40 10 -1 0 45.70 1.90 -10 -1 0 44.90 1.40 10 1 0 46.10 1.90 10 1 0 46.30 1.90 -10 1 0 44.90 1.60 -10 1 0 45.20 1.60 11 -1 0 0.00 0.80 11 -1 0 0.20 0.80 -11 -1 0 0.40 0.40 -11 -1 0 0.30 0.40 -11 1 0 -0.30 0.50 11 1 0 1.20 0.80 11 1 0 1.50 0.70 -11 1 0 -0.20 0.50 -12 -1 0 15.60 0.70 -12 -1 0 13.70 0.70 12 -1 0 14.00 1.70 12 -1 0 14.90 1.60 12 1 0 15.50 1.60 12 1 0 12.70 1.30 -12 1 0 14.10 1.10 -12 1 0 14.60 1.20 13 -1 0 0.00 1.00 13 -1 0 0.00 1.00 13 1 0 -1.20 1.00 -13 1 0 0.10 0.50 13 1 0 -1.40 0.90 -13 1 0 0.50 0.60 14 -1 0 38.60 2.50 14 -1 0 39.60 2.60 -14 1 0 34.00 1.20 14 1 0 38.20 2.40 14 1 0 42.40 2.50 -14 1 0 35.20 1.10 15 -1 0 7.10 1.60 15 -1 0 5.30 1.50 15 1 0 3.80 1.40 15 1 0 2.90 1.30 16 -1 0 13.50 1.90 16 -1 0 14.10 2.00 16 1 0 10.60 1.70 16 1 0 14.70 1.90 -1 -2 0 28.80 0.80 1 -2 0 26.70 0.90 -1 -2 0 30.60 0.80 -1 2 0 25.00 0.80 2 -2 0 125.39 2.50 2 -2 0 124.59 2.50 -2 -2 0 125.99 2.40 -2 -2 0 125.39 2.40 -2 2 0 127.89 2.50 -2 2 0 126.79 2.50 2 2 0 126.79 2.40 2 2 0 127.49 2.40 3 -2 0 1.70 0.40 -3 -2 0 1.30 0.20 3 -2 0 2.90 0.50 -3 -2 0 2.00 0.30 3 2 0 1.30 0.30 3 2 0 1.40 0.30 -3 2 0 1.70 0.30 -3 2 0 1.50 0.30 -4 -2 0 273.87 5.10 4 -2 0 273.87 5.30 -4 -2 0 271.37 5.00 4 -2 0 277.67 5.20 4 2 0 276.27 5.10 4 2 0 275.97 5.10 -4 2 0 281.87 5.20 -4 2 0 281.77 5.20 -5 -2 0 148.19 2.80 5 -2 0 139.29 3.00 -5 -2 0 144.09 2.80 5 -2 0 145.89 3.10 5 2 0 144.19 2.90 -5 2 0 146.79 3.00 -5 2 0 145.99 3.00 5 2 0 141.49 2.90 6 -2 0 38.80 1.30 -6 -2 0 40.20 1.00 6 -2 0 40.30 1.40 -6 -2 0 41.50 1.10 6 2 0 39.70 1.20 6 2 0 41.40 1.20 -6 2 0 41.70 1.30 -6 2 0 39.10 1.30 -7 -2 0 178.68 3.50 -7 -2 0 182.18 3.50 7 -2 0 181.18 4.00 7 -2 0 177.98 3.80 -7 2 0 181.68 3.80 7 2 0 179.38 3.80 7 2 0 182.48 3.70 -7 2 0 178.18 3.80 8 -2 0 3.60 0.70 8 -2 0 1.30 0.50 -8 -2 0 2.20 0.40 -8 -2 0 2.20 0.30 -8 2 0 1.30 0.50 8 2 0 2.20 0.50 -8 2 0 1.60 0.50 8 2 0 2.00 0.50 -9 -2 0 1.30 0.40 -9 -2 0 0.30 0.40 9 -2 0 1.00 0.60 9 -2 0 1.30 0.70 9 2 0 0.60 0.60 -9 2 0 0.30 0.50 9 2 0 1.10 0.60 -9 2 0 0.80 0.50 -10 -2 0 145.49 3.00 10 -2 0 151.98 3.70 10 -2 0 148.79 3.90 -10 -2 0 149.09 3.00 10 2 0 149.69 3.60 -10 2 0 155.98 3.40 -10 2 0 145.59 3.40 10 2 0 148.29 3.60 -11 -2 0 20.30 0.70 11 -2 0 24.20 1.80 -11 -2 0 21.90 0.70 11 -2 0 21.00 1.70 -11 2 0 20.10 1.40 11 2 0 22.30 1.60 11 2 0 23.70 1.60 -11 2 0 21.20 1.30 12 -2 0 2.00 1.00 12 2 0 3.10 0.80 12 2 0 1.60 0.90 -12 2 0 1.50 0.70 -12 2 0 3.40 0.70 13 -2 0 2.00 1.10 13 -2 0 1.50 1.10 13 2 0 -0.70 0.90 -13 2 0 0.00 0.60 13 2 0 0.60 1.50 -13 2 0 0.50 0.70 14 -2 0 5.60 1.40 -14 2 0 3.90 0.70 -14 2 0 4.60 0.70 14 2 0 3.30 1.20 14 2 0 3.50 1.10 15 -2 0 1.30 1.40 15 -2 0 1.60 1.50 15 2 0 -0.20 1.30 15 2 0 1.20 1.30 16 -2 0 20.50 2.30 16 -2 0 23.70 3.00 16 2 0 20.10 2.10 16 2 0 24.50 2.80 0 -3 0 0.10 0.20 0 3 0 0.10 0.20 0 3 0 0.00 0.20 1 -3 0 86.09 1.80 -1 -3 0 86.29 1.80 -1 -3 0 85.69 1.80 1 -3 0 86.09 1.90 -1 3 0 86.29 1.90 1 3 0 86.29 1.80 1 3 0 84.19 1.80 -1 3 0 84.39 1.80 2 -3 0 14.00 0.70 -2 -3 0 13.30 0.50 -2 -3 0 13.80 0.50 2 -3 0 14.30 0.70 2 3 0 13.60 0.60 -2 3 0 14.30 0.70 2 3 0 12.20 0.60 -2 3 0 13.90 0.70 -3 -3 0 1.50 0.20 3 -3 0 1.50 0.40 3 -3 0 1.10 0.30 -3 -3 0 1.40 0.20 -3 3 0 1.70 0.40 -3 3 0 1.00 0.30 3 3 0 1.50 0.30 3 3 0 0.60 0.20 4 -3 0 165.68 3.40 -4 -3 0 167.28 3.20 -4 -3 0 165.18 3.20 4 -3 0 164.08 3.50 -4 3 0 167.08 3.40 4 3 0 171.38 3.30 -4 3 0 166.78 3.40 4 3 0 167.68 3.30 5 -3 0 13.20 0.80 5 -3 0 12.00 0.90 -5 -3 0 12.20 0.60 -5 -3 0 12.10 0.50 -5 3 0 12.40 0.80 -5 3 0 12.90 0.80 5 3 0 12.80 0.70 5 3 0 12.70 0.70 6 -3 0 14.40 0.90 -6 -3 0 14.60 0.60 -6 -3 0 13.60 0.60 6 -3 0 14.60 1.00 6 3 0 14.80 0.80 -6 3 0 14.80 0.90 6 3 0 15.60 0.80 -6 3 0 14.00 0.90 -7 -3 0 26.30 0.90 7 -3 0 27.90 1.40 7 -3 0 26.60 1.20 -7 -3 0 26.10 0.80 7 3 0 25.20 1.10 -7 3 0 23.80 1.20 7 3 0 25.60 1.10 -7 3 0 26.00 1.20 8 -3 0 1.60 0.60 -8 -3 0 2.40 0.30 8 -3 0 2.60 0.60 -8 -3 0 2.30 0.40 8 3 0 2.20 0.50 8 3 0 2.30 0.50 -8 3 0 2.50 0.60 -8 3 0 2.00 0.60 -9 -3 0 2.90 0.40 -9 -3 0 2.60 0.30 9 -3 0 1.90 0.80 9 -3 0 1.70 0.70 -9 3 0 2.70 0.70 9 3 0 2.60 0.70 -9 3 0 1.10 0.60 9 3 0 2.00 0.60 -10 -3 0 42.30 1.20 10 -3 0 46.60 2.10 10 -3 0 47.50 2.00 -10 -3 0 42.90 1.00 -10 3 0 46.60 1.80 -10 3 0 43.60 1.80 10 3 0 44.30 1.80 10 3 0 44.50 1.80 11 -3 0 4.50 1.00 11 -3 0 5.60 1.10 11 3 0 5.60 0.90 -11 3 0 4.50 0.80 11 3 0 5.20 0.90 -11 3 0 4.70 0.80 12 -3 0 4.60 1.20 12 -3 0 4.90 1.10 -12 3 0 3.60 0.80 -12 3 0 4.60 0.80 12 3 0 5.10 0.90 12 3 0 3.50 0.90 13 -3 0 13.20 1.50 13 -3 0 15.90 2.00 -13 3 0 12.80 1.40 13 3 0 14.00 1.30 -13 3 0 15.60 1.50 13 3 0 13.00 2.10 14 -3 0 19.40 2.30 14 -3 0 16.50 1.80 14 3 0 19.90 2.00 14 3 0 20.60 2.20 -14 3 0 22.10 1.50 -14 3 0 22.70 1.60 15 -3 0 13.00 1.80 15 -3 0 15.50 2.00 -15 3 0 13.50 1.40 15 3 0 11.70 2.10 -15 3 0 15.50 1.40 15 3 0 15.20 1.70 16 -3 0 0.50 1.70 16 -3 0 3.00 1.80 16 3 0 -0.10 1.50 16 3 0 4.40 1.60 0 -4 0 4690.23 81.39 0 -4 0 4413.36 80.59 0 4 0 4514.55 80.79 0 4 0 4509.35 80.99 1 -4 0 207.98 4.20 -1 -4 0 210.18 4.00 1 -4 0 210.28 4.10 1 4 0 208.08 4.00 -1 4 0 202.48 4.10 -1 4 0 213.08 4.20 1 4 0 210.68 4.10 2 -4 0 67.29 1.70 -2 -4 0 64.69 1.50 2 -4 0 68.69 1.60 -2 -4 0 65.39 1.50 -2 4 0 65.39 1.70 2 4 0 66.19 1.50 -2 4 0 65.09 1.60 2 4 0 64.49 1.60 3 -4 0 2.20 0.40 3 -4 0 2.20 0.40 -3 -4 0 2.40 0.30 -3 -4 0 2.20 0.30 3 4 0 2.20 0.30 -3 4 0 2.70 0.40 3 4 0 2.60 0.30 -3 4 0 2.50 0.40 -4 -4 0 159.38 3.10 -4 -4 0 156.78 3.00 4 -4 0 164.68 3.40 4 -4 0 152.08 3.40 4 4 0 155.28 3.20 -4 4 0 161.88 3.40 4 4 0 159.28 3.20 -4 4 0 156.48 3.30 5 -4 0 1.90 0.50 -5 -4 0 2.80 0.30 5 -4 0 3.30 0.50 -5 -4 0 2.50 0.30 5 4 0 1.90 0.40 5 4 0 2.10 0.40 -5 4 0 2.60 0.50 -5 4 0 2.80 0.50 -6 -4 0 456.45 8.50 6 -4 0 473.15 9.20 6 -4 0 487.35 9.00 -6 -4 0 468.45 8.60 6 4 0 484.75 8.80 -6 4 0 479.75 9.00 -6 4 0 477.35 9.00 6 4 0 479.55 8.80 7 -4 0 104.09 2.80 -7 -4 0 102.89 2.10 7 -4 0 99.39 2.60 -7 -4 0 104.29 2.10 -7 4 0 104.39 2.60 7 4 0 104.69 2.50 -7 4 0 103.89 2.60 7 4 0 103.09 2.40 -8 -4 0 12.70 0.60 8 -4 0 13.10 1.20 8 -4 0 11.90 1.30 -8 -4 0 12.80 0.60 8 4 0 11.90 1.00 -8 4 0 12.20 1.10 -8 4 0 12.30 1.10 8 4 0 13.70 1.00 9 -4 0 0.60 0.70 -9 -4 0 0.60 0.30 -9 -4 0 0.50 0.20 9 -4 0 1.40 0.80 -9 4 0 -0.20 0.60 9 4 0 0.30 0.60 -9 4 0 1.00 0.60 9 4 0 0.60 0.60 10 -4 0 73.29 2.50 10 -4 0 74.99 2.70 -10 4 0 73.79 2.30 -10 4 0 75.49 2.40 10 4 0 75.59 2.30 10 4 0 72.29 2.30 11 -4 0 29.60 2.10 11 -4 0 28.70 2.50 -11 4 0 30.40 1.70 11 4 0 32.50 1.80 -11 4 0 30.80 1.70 11 4 0 33.60 1.80 12 -4 0 1.90 1.20 12 -4 0 1.20 1.10 12 4 0 2.60 0.90 -12 4 0 0.60 0.80 -12 4 0 2.60 0.90 12 4 0 2.60 0.90 13 -4 0 21.30 2.60 13 -4 0 18.20 2.20 -13 4 0 19.30 1.70 13 4 0 13.00 2.10 13 4 0 23.10 1.90 -13 4 0 16.60 1.60 14 -4 0 1.80 1.40 14 -4 0 0.00 1.30 -14 4 0 -0.10 0.90 -14 4 0 1.40 0.90 14 4 0 -0.10 1.10 14 4 0 -0.20 1.00 15 -4 0 8.30 1.80 15 -4 0 5.50 1.60 -15 4 0 9.20 1.00 -15 4 0 6.50 1.00 15 4 0 5.90 1.50 15 4 0 7.90 1.70 16 -4 0 1.00 1.70 16 -4 0 2.80 1.90 16 4 0 -0.10 1.40 -16 4 0 2.80 0.80 -16 4 0 1.90 0.70 16 4 0 1.10 1.50 0 -5 0 0.10 0.30 0 -5 0 -0.50 0.30 0 5 0 -0.30 0.40 0 5 0 -0.20 0.30 1 -5 0 44.20 1.40 -1 -5 0 41.30 1.20 1 -5 0 42.70 1.30 -1 -5 0 43.00 1.20 1 5 0 43.20 1.20 1 5 0 42.80 1.30 -1 5 0 43.40 1.30 -1 5 0 43.20 1.40 -2 -5 0 24.80 0.90 -2 -5 0 24.20 0.90 2 -5 0 24.50 1.00 2 -5 0 24.30 1.10 -2 5 0 25.10 1.10 -2 5 0 23.80 1.00 2 5 0 22.90 0.90 2 5 0 24.10 1.00 -3 -5 0 310.47 5.80 3 -5 0 314.27 6.10 -3 -5 0 298.47 5.70 3 -5 0 310.67 6.00 -3 5 0 311.27 6.10 3 5 0 312.77 5.90 -3 5 0 313.57 6.00 3 5 0 300.17 5.80 4 -5 0 439.76 8.40 4 -5 0 435.06 8.20 -4 -5 0 430.56 7.90 -4 -5 0 420.26 7.90 -4 5 0 441.06 8.30 4 5 0 439.06 8.10 -4 5 0 440.56 8.30 4 5 0 432.96 8.10 -5 -5 0 5.70 0.50 -5 -5 0 4.90 0.60 5 -5 0 4.60 0.60 5 -5 0 4.70 0.70 -5 5 0 3.50 0.60 -5 5 0 5.50 0.70 5 5 0 6.50 0.70 5 5 0 6.60 0.70 -6 -5 0 6.90 0.60 -6 -5 0 7.50 0.50 6 -5 0 7.60 0.90 6 -5 0 6.90 0.80 -6 5 0 7.20 0.80 6 5 0 7.90 0.80 -6 5 0 7.80 1.00 6 5 0 7.20 0.80 7 -5 0 104.49 2.70 -7 -5 0 105.69 2.20 7 -5 0 103.09 2.90 -7 -5 0 103.79 2.10 7 5 0 104.59 2.50 -7 5 0 106.19 2.80 7 5 0 107.89 2.60 -7 5 0 107.29 2.70 -8 -5 0 -0.30 0.30 8 -5 0 -0.20 0.70 8 -5 0 -0.20 0.60 -8 -5 0 -0.10 0.20 8 5 0 -0.30 0.50 8 5 0 0.40 0.50 -8 5 0 -0.10 0.60 -8 5 0 -1.30 0.60 9 -5 0 4.60 0.90 9 -5 0 3.60 0.80 -9 5 0 2.70 0.80 9 5 0 2.60 0.60 -9 5 0 3.60 0.80 9 5 0 2.70 0.70 10 -5 0 89.19 3.10 10 -5 0 85.69 2.80 10 5 0 87.79 2.60 -10 5 0 87.29 2.70 -10 5 0 88.69 2.70 10 5 0 84.09 2.50 11 -5 0 0.40 0.90 11 -5 0 0.50 1.10 -11 5 0 0.50 0.80 -11 5 0 2.20 0.90 11 5 0 0.20 0.70 11 5 0 1.50 0.80 12 -5 0 3.50 1.20 12 -5 0 2.90 1.10 -12 5 0 4.40 1.00 -12 5 0 3.60 1.00 12 5 0 4.40 1.00 12 5 0 5.30 1.00 13 -5 0 37.70 2.80 13 -5 0 37.10 2.50 -13 5 0 40.20 2.10 13 5 0 41.70 2.50 13 5 0 39.90 2.20 -13 5 0 40.20 2.10 14 -5 0 5.90 1.50 14 -5 0 9.60 1.70 -14 5 0 10.70 1.20 14 5 0 6.90 1.20 -14 5 0 6.20 1.10 14 5 0 6.80 1.30 15 -5 0 1.30 1.60 15 -5 0 5.70 1.60 15 5 0 4.10 1.40 15 5 0 4.30 1.50 -15 5 0 5.30 1.10 -15 5 0 5.20 1.10 16 -5 0 -2.20 1.90 16 -5 0 1.00 1.80 -16 5 0 1.40 1.00 16 5 0 -2.20 1.30 16 5 0 1.60 1.60 -16 5 0 0.60 0.90 0 -6 0 209.08 4.30 0 -6 0 204.18 4.10 0 6 0 208.48 4.20 0 6 0 202.88 4.30 -1 -6 0 59.29 1.60 1 -6 0 60.89 1.80 -1 -6 0 60.29 1.70 1 -6 0 60.29 1.70 1 6 0 59.89 1.70 -1 6 0 59.19 1.80 -1 6 0 62.09 1.70 1 6 0 60.39 1.80 -2 -6 0 4.70 0.50 2 -6 0 4.30 0.60 2 -6 0 3.70 0.50 -2 -6 0 4.10 0.40 -2 6 0 3.60 0.50 2 6 0 4.80 0.60 2 6 0 3.20 0.50 -2 6 0 4.50 0.60 -3 -6 0 -0.20 0.30 -3 -6 0 -0.10 0.30 3 -6 0 0.40 0.50 3 -6 0 -0.10 0.50 -3 6 0 -0.30 0.40 3 6 0 -0.40 0.40 -3 6 0 0.20 0.50 4 -6 0 258.97 5.50 -4 -6 0 254.07 4.90 -4 -6 0 264.47 5.00 4 -6 0 261.07 5.30 4 6 0 259.47 5.20 -4 6 0 255.27 5.30 4 6 0 258.17 5.10 -4 6 0 260.17 5.40 5 -6 0 49.99 1.90 -5 -6 0 49.50 1.30 -5 -6 0 51.89 1.30 5 -6 0 49.20 1.70 -5 6 0 47.00 1.70 5 6 0 48.70 1.50 -5 6 0 48.30 1.70 5 6 0 48.80 1.50 6 -6 0 71.49 2.20 -6 -6 0 74.09 1.70 -6 -6 0 73.39 1.60 6 -6 0 72.19 2.40 -6 6 0 69.79 2.10 6 6 0 72.99 2.00 -6 6 0 71.69 2.20 6 6 0 73.59 2.00 -7 -6 0 112.99 2.30 7 -6 0 120.19 3.10 7 -6 0 114.89 3.20 -7 -6 0 116.19 2.40 -7 6 0 117.59 3.00 7 6 0 115.59 2.80 -7 6 0 111.69 3.00 7 6 0 116.39 2.80 -8 -6 0 1.30 0.30 8 -6 0 1.40 0.70 8 -6 0 0.70 0.80 -8 -6 0 1.10 0.30 -8 6 0 1.40 0.70 8 6 0 1.00 0.60 -8 6 0 2.20 0.70 8 6 0 0.50 0.60 9 -6 0 8.60 1.00 9 -6 0 9.60 1.20 9 6 0 9.70 1.30 9 6 0 9.20 1.20 -9 6 0 8.50 1.00 -9 6 0 13.20 1.40 10 -6 0 97.79 3.40 -10 6 0 97.39 3.00 10 6 0 98.49 2.80 -10 6 0 98.09 3.00 10 6 0 99.99 2.90 11 -6 0 5.30 1.30 11 -6 0 3.70 1.10 -11 6 0 3.80 1.00 11 6 0 4.10 0.90 11 6 0 3.70 0.90 -11 6 0 4.50 1.00 12 -6 0 8.50 1.40 12 -6 0 9.40 1.70 12 6 0 12.80 1.70 -12 6 0 9.10 1.20 12 6 0 13.70 1.70 -12 6 0 10.20 1.20 13 -6 0 5.30 1.60 13 -6 0 4.80 1.40 -13 6 0 5.00 1.10 -13 6 0 6.30 1.20 13 6 0 6.10 1.30 13 6 0 5.50 1.10 14 -6 0 -0.60 1.50 14 -6 0 3.00 1.50 -14 6 0 4.40 1.10 -14 6 0 2.50 1.20 14 6 0 0.70 1.10 14 6 0 2.00 1.20 15 -6 0 -1.00 1.80 15 -6 0 0.60 1.60 15 6 0 0.80 1.20 -15 6 0 -0.50 1.20 15 6 0 -0.30 1.40 -15 6 0 1.10 1.10 0 -7 0 -0.20 0.50 0 -7 0 -0.30 0.40 0 7 0 -0.40 0.40 0 7 0 -0.70 0.50 1 -7 0 5.00 0.70 -1 -7 0 5.40 0.70 1 -7 0 6.10 0.60 -1 -7 0 6.50 0.80 -1 7 0 5.20 0.60 -1 7 0 5.40 0.70 1 7 0 6.40 0.80 1 7 0 5.00 0.60 2 -7 0 286.77 5.70 -2 -7 0 284.57 5.50 2 -7 0 291.47 5.90 -2 -7 0 279.67 5.60 2 7 0 284.67 5.70 2 7 0 289.57 5.80 -2 7 0 282.87 5.90 -2 7 0 283.57 5.80 3 -7 0 232.58 5.10 -3 -7 0 229.78 4.60 -3 -7 0 232.68 4.60 3 -7 0 236.98 4.90 3 7 0 235.28 4.80 3 7 0 237.78 4.90 -3 7 0 227.88 4.90 -3 7 0 234.98 5.00 4 -7 0 145.99 3.40 4 -7 0 146.49 3.70 -4 -7 0 145.59 3.10 -4 -7 0 150.88 3.10 -4 7 0 146.99 3.50 -4 7 0 145.89 3.50 4 7 0 147.99 3.30 5 -7 0 -0.80 0.60 5 -7 0 -1.40 0.50 -5 -7 0 0.10 0.30 -5 -7 0 -0.30 0.30 5 7 0 -0.20 0.50 5 7 0 -0.10 0.50 -5 7 0 -0.80 0.60 6 -7 0 -1.00 0.60 -6 -7 0 -0.10 0.30 -6 -7 0 -0.10 0.30 6 -7 0 -1.10 0.60 -6 7 0 -1.10 0.60 6 7 0 0.30 0.50 6 7 0 -0.20 0.50 -6 7 0 -0.10 0.60 -7 -7 0 39.30 1.10 -7 -7 0 38.80 1.10 7 -7 0 41.00 2.00 7 -7 0 43.00 1.90 7 7 0 40.40 1.60 7 7 0 38.70 1.60 -7 7 0 40.80 1.80 -7 7 0 40.20 1.80 8 -7 0 15.60 1.70 8 -7 0 13.90 1.50 -8 -7 0 15.40 0.60 -8 -7 0 15.70 0.70 8 7 0 16.20 1.30 -8 7 0 14.70 1.50 -8 7 0 13.90 1.50 8 7 0 15.50 1.30 9 -7 0 99.79 3.40 9 -7 0 98.39 3.20 -9 7 0 103.59 3.10 9 7 0 103.19 2.90 -9 7 0 106.49 3.10 9 7 0 102.59 2.80 10 -7 0 43.20 2.50 10 -7 0 44.20 2.30 10 7 0 42.10 1.90 10 7 0 40.70 2.00 -10 7 0 42.50 2.20 -10 7 0 46.50 2.20 11 -7 0 2.80 1.20 11 -7 0 1.30 1.00 11 7 0 0.70 0.90 -11 7 0 0.90 0.90 -11 7 0 1.30 1.00 11 7 0 1.40 0.80 12 -7 0 8.40 1.50 12 -7 0 5.70 1.30 12 7 0 6.50 1.30 -12 7 0 7.20 1.20 -12 7 0 7.40 1.20 12 7 0 5.10 1.00 13 -7 0 26.70 2.90 13 -7 0 24.70 2.50 13 7 0 24.00 2.30 -13 7 0 26.40 2.30 13 7 0 26.00 2.10 -13 7 0 24.60 2.20 14 -7 0 7.40 1.70 14 -7 0 8.50 2.00 14 7 0 7.20 1.50 -14 7 0 9.80 1.40 -14 7 0 8.50 1.40 14 7 0 7.70 1.30 15 -7 0 0.70 1.80 15 -7 0 3.00 2.00 -15 7 0 4.50 1.40 15 7 0 2.30 1.50 -15 7 0 3.30 1.30 15 7 0 5.40 1.50 0 -8 0 65.09 2.00 0 -8 0 65.99 1.90 0 8 0 66.99 2.10 0 8 0 65.39 2.00 1 -8 0 110.89 2.90 1 -8 0 111.19 2.70 -1 -8 0 111.19 2.80 -1 -8 0 112.49 2.60 -1 8 0 111.69 2.90 1 8 0 111.19 2.80 1 8 0 111.19 2.90 -1 8 0 110.09 2.80 2 -8 0 5.50 0.70 -2 -8 0 4.80 0.60 2 -8 0 4.30 0.80 -2 -8 0 4.10 0.60 -2 8 0 5.20 0.80 2 8 0 4.70 0.70 2 8 0 4.70 0.70 -2 8 0 3.40 0.70 3 -8 0 3.90 0.70 3 -8 0 3.50 0.80 -3 -8 0 5.00 0.60 -3 -8 0 4.00 0.50 3 8 0 3.30 0.70 -3 8 0 4.10 0.70 -3 8 0 4.10 0.80 3 8 0 4.60 0.70 -4 -8 0 170.88 3.60 -4 -8 0 168.78 3.50 4 -8 0 169.08 3.90 4 -8 0 173.68 4.20 4 8 0 168.68 3.90 4 8 0 172.68 3.80 -4 8 0 170.28 4.00 -4 8 0 168.08 4.00 -5 -8 0 82.09 2.00 5 -8 0 78.79 2.70 5 -8 0 80.69 2.40 -5 -8 0 79.99 2.00 -5 8 0 81.49 2.50 5 8 0 82.19 2.40 5 8 0 81.29 2.30 -5 8 0 82.89 2.50 -6 -8 0 1.90 0.40 6 -8 0 2.50 0.90 6 -8 0 1.90 0.70 -6 -8 0 2.00 0.50 6 8 0 0.70 0.60 -6 8 0 0.30 0.70 6 8 0 2.10 0.70 -6 8 0 1.10 0.70 7 -8 0 116.89 3.50 7 -8 0 115.29 3.20 -7 -8 0 112.89 2.40 -7 -8 0 113.79 2.50 7 8 0 121.09 3.00 -7 8 0 114.39 3.20 -7 8 0 118.19 3.30 7 8 0 116.69 3.10 -8 -8 0 0.30 0.30 -8 -8 0 0.00 0.30 8 -8 0 0.10 0.80 8 -8 0 -0.10 1.00 -8 8 0 0.20 0.80 8 8 0 0.20 0.70 8 8 0 -0.60 0.60 -8 8 0 0.70 0.80 9 -8 0 35.90 2.40 9 -8 0 33.50 2.00 9 8 0 30.20 1.80 -9 8 0 30.80 2.00 -9 8 0 35.20 2.00 9 8 0 35.10 1.80 10 -8 0 36.80 2.60 10 -8 0 42.00 2.30 10 8 0 39.10 2.00 -10 8 0 39.30 2.20 -10 8 0 35.30 2.20 10 8 0 40.00 2.10 11 -8 0 73.39 3.00 11 8 0 69.69 2.60 -11 8 0 67.69 2.80 -11 8 0 67.29 2.80 11 8 0 73.29 2.70 12 -8 0 0.20 1.30 12 -8 0 -0.70 1.30 12 8 0 -1.00 1.20 -12 8 0 0.00 1.10 12 8 0 -0.20 0.90 13 -8 0 20.20 2.00 13 -8 0 18.10 2.20 13 8 0 20.90 2.40 -13 8 0 21.90 2.60 13 8 0 22.40 2.10 -13 8 0 23.40 2.40 14 -8 0 0.00 1.80 14 -8 0 1.60 1.60 -14 8 0 2.50 1.40 -14 8 0 2.20 1.30 14 8 0 0.20 1.40 15 -8 0 -1.30 1.90 15 -8 0 0.40 2.20 -15 8 0 1.50 1.40 15 8 0 -1.60 1.50 -15 8 0 1.90 1.60 15 8 0 2.30 1.40 0 -9 0 -0.50 0.60 0 -9 0 -0.90 0.50 0 9 0 -0.70 0.50 0 9 0 -0.20 0.70 -1 -9 0 10.90 1.10 1 -9 0 9.00 1.00 -1 -9 0 8.80 1.00 1 -9 0 7.50 0.90 1 9 0 8.30 0.90 -1 9 0 6.60 0.90 -1 9 0 8.20 1.00 1 9 0 11.30 1.30 -2 -9 0 15.50 1.10 -2 -9 0 16.20 1.20 2 -9 0 15.90 1.20 2 -9 0 16.30 1.30 -2 9 0 14.10 1.20 2 9 0 16.20 1.20 -2 9 0 15.70 1.30 2 9 0 16.10 1.30 3 -9 0 331.97 6.80 -3 -9 0 331.27 6.50 -3 -9 0 329.57 6.60 3 -9 0 340.77 7.10 3 9 0 344.17 6.80 -3 9 0 335.57 6.90 -3 9 0 338.37 7.00 3 9 0 330.17 6.90 4 -9 0 96.29 2.70 -4 -9 0 94.69 2.30 -4 -9 0 92.79 2.30 4 -9 0 92.99 3.00 4 9 0 93.49 2.70 -4 9 0 94.69 2.90 4 9 0 95.19 2.60 -4 9 0 92.59 2.80 -5 -9 0 15.90 1.00 5 -9 0 12.70 1.60 -5 -9 0 15.00 1.00 5 -9 0 15.10 1.30 -5 9 0 16.50 1.40 -5 9 0 15.60 1.50 5 9 0 13.00 1.40 5 9 0 13.60 1.30 -6 -9 0 1.20 0.50 6 -9 0 1.10 0.80 6 -9 0 0.40 0.90 -6 -9 0 1.90 0.50 6 9 0 1.10 0.70 -6 9 0 0.20 0.80 -6 9 0 1.80 0.90 6 9 0 1.90 0.80 -7 -9 0 65.79 1.70 7 -9 0 67.69 2.50 -7 -9 0 64.79 1.70 7 -9 0 65.79 2.70 -7 9 0 68.59 2.60 7 9 0 65.59 2.20 7 9 0 68.69 2.40 -7 9 0 67.09 2.50 -8 -9 0 25.10 0.80 8 -9 0 23.20 1.90 8 -9 0 22.90 2.10 -8 -9 0 23.00 0.90 -8 9 0 24.60 1.90 8 9 0 22.50 1.70 -8 9 0 23.00 1.90 8 9 0 24.90 1.60 9 -9 0 26.20 2.10 9 -9 0 27.10 2.30 9 9 0 28.20 1.90 -9 9 0 26.40 2.00 -9 9 0 25.60 2.00 9 9 0 27.40 1.70 10 -9 0 9.30 1.30 10 -9 0 7.80 2.20 -10 9 0 9.90 1.30 10 9 0 8.60 1.20 -10 9 0 7.50 2.20 10 9 0 9.00 1.10 11 -9 0 2.90 1.40 11 -9 0 3.70 1.30 -11 9 0 1.50 1.20 11 9 0 3.90 1.30 11 9 0 3.60 1.00 -11 9 0 1.30 1.20 12 -9 0 0.30 1.50 12 -9 0 0.20 1.30 -12 9 0 0.40 1.20 12 9 0 0.20 1.00 12 9 0 0.90 1.20 -12 9 0 1.40 1.30 13 -9 0 33.70 3.50 13 -9 0 36.00 3.00 13 9 0 37.20 2.50 -13 9 0 39.60 2.80 -13 9 0 38.20 2.80 13 9 0 40.80 2.80 14 -9 0 -2.50 1.90 14 -9 0 -1.10 1.70 -14 9 0 0.00 1.50 14 9 0 2.00 1.50 14 9 0 -0.60 1.30 0 -10 0 39.60 1.70 0 -10 0 41.40 1.80 0 10 0 40.80 1.80 0 10 0 41.50 2.00 1 -10 0 17.80 1.30 -1 -10 0 18.40 1.40 1 -10 0 16.10 1.40 -1 -10 0 15.70 1.20 -1 10 0 14.30 1.30 1 10 0 17.30 1.50 -1 10 0 15.90 1.50 1 10 0 15.10 1.40 -2 -10 0 2.10 0.70 2 -10 0 0.80 0.70 2 -10 0 1.30 0.80 -2 -10 0 2.00 0.60 -2 10 0 0.30 0.70 2 10 0 1.20 0.70 -2 10 0 0.80 0.80 2 10 0 2.20 0.80 3 -10 0 0.70 0.70 -3 -10 0 0.70 0.60 -3 -10 0 1.90 0.60 3 -10 0 0.70 0.80 3 10 0 0.50 0.60 -3 10 0 0.50 0.90 3 10 0 0.70 0.70 -3 10 0 1.30 0.80 4 -10 0 3.00 0.80 4 -10 0 4.90 1.00 -4 -10 0 4.50 0.70 -4 -10 0 3.50 0.60 -4 10 0 4.20 0.90 4 10 0 3.60 0.80 4 10 0 4.30 0.90 -4 10 0 3.30 0.90 5 -10 0 175.58 4.30 -5 -10 0 168.78 3.70 -5 -10 0 169.48 3.70 5 -10 0 176.78 4.60 5 10 0 175.78 4.30 -5 10 0 175.18 4.40 5 10 0 175.98 4.10 -5 10 0 176.98 4.40 -6 -10 0 7.90 0.90 6 -10 0 4.60 1.10 -6 -10 0 7.10 0.90 6 -10 0 6.40 1.00 -6 10 0 7.00 1.10 6 10 0 5.70 1.00 -6 10 0 6.80 1.20 6 10 0 5.80 0.90 7 -10 0 26.20 2.00 -7 -10 0 25.50 1.10 -7 -10 0 24.70 1.10 7 -10 0 25.90 2.00 -7 10 0 26.40 2.00 -7 10 0 22.30 1.90 7 10 0 27.30 1.70 8 -10 0 1.00 1.00 -8 -10 0 0.30 0.40 8 -10 0 -0.80 1.10 -8 -10 0 0.60 0.40 8 10 0 -0.40 0.90 -8 10 0 0.10 1.00 8 10 0 -0.50 0.70 9 -10 0 0.40 1.10 9 -10 0 0.90 1.40 9 10 0 0.80 1.00 9 10 0 0.40 0.80 -9 10 0 2.40 1.10 -9 10 0 1.70 1.10 10 -10 0 8.30 1.50 10 -10 0 4.30 1.50 10 10 0 8.10 1.20 -10 10 0 6.70 1.40 10 10 0 8.00 1.10 -10 10 0 5.20 1.30 11 -10 0 100.69 4.20 11 -10 0 106.09 3.80 -11 10 0 100.29 3.70 -11 10 0 98.39 3.60 11 10 0 103.69 3.60 11 10 0 101.29 3.30 12 -10 0 0.00 1.70 12 -10 0 -2.20 1.40 -12 10 0 -0.50 1.30 12 10 0 2.10 1.10 12 10 0 1.10 1.30 13 -10 0 28.30 3.00 13 -10 0 33.60 3.60 13 10 0 36.40 2.90 13 10 0 25.50 2.80 -13 10 0 33.50 2.90 14 -10 0 -0.80 2.10 14 -10 0 -1.90 2.00 14 10 0 -1.10 1.60 14 10 0 -0.10 1.30 -14 10 0 3.50 1.70 0 -11 0 -1.30 0.70 0 -11 0 -0.40 0.60 0 11 0 -0.50 0.80 0 11 0 -0.60 0.70 1 -11 0 3.80 0.90 -1 -11 0 3.00 0.70 -1 -11 0 3.10 0.90 1 -11 0 3.00 0.90 -1 11 0 2.40 0.90 1 11 0 2.40 0.80 1 11 0 2.40 0.90 -1 11 0 2.60 1.00 2 -11 0 13.80 1.40 -2 -11 0 17.60 1.40 -2 -11 0 15.10 1.30 2 -11 0 17.30 1.70 -2 11 0 12.70 1.50 2 11 0 16.90 1.70 -2 11 0 14.70 1.60 2 11 0 15.00 1.50 3 -11 0 83.49 2.70 -3 -11 0 81.79 2.40 3 -11 0 79.29 2.90 -3 -11 0 79.39 2.40 3 11 0 82.39 2.60 3 11 0 82.49 2.80 -3 11 0 78.39 2.60 -3 11 0 79.19 2.90 -4 -11 0 9.50 1.10 4 -11 0 8.60 1.10 4 -11 0 5.90 1.20 -4 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13 -11 0 -1.70 1.70 13 11 0 0.90 1.30 13 11 0 0.70 1.60 -13 11 0 3.70 1.60 -13 11 0 0.40 1.90 -14 11 0 2.60 1.80 -14 11 0 2.60 1.90 14 11 0 6.20 2.00 14 11 0 2.30 1.50 0 -12 0 31.00 1.80 0 -12 0 34.60 2.00 0 12 0 33.80 2.20 0 12 0 30.90 1.90 1 -12 0 -1.20 0.80 1 -12 0 -0.30 0.80 -1 -12 0 -0.10 0.70 -1 12 0 -1.60 1.00 1 12 0 -1.20 0.80 -2 -12 0 1.60 0.70 -2 -12 0 0.70 0.80 2 -12 0 -1.20 0.90 2 -12 0 -0.50 0.90 2 12 0 0.50 0.80 -2 12 0 -1.00 1.10 2 12 0 1.90 1.00 -2 12 0 -1.30 0.90 -3 -12 0 6.10 0.80 3 -12 0 5.00 1.20 3 -12 0 5.10 1.00 -3 -12 0 6.10 0.90 -3 12 0 4.60 1.10 -3 12 0 5.50 1.20 3 12 0 4.00 0.90 3 12 0 6.30 1.20 4 -12 0 11.00 1.50 -4 -12 0 10.20 1.30 -4 -12 0 10.80 1.30 4 -12 0 7.60 2.00 4 12 0 7.90 1.10 4 12 0 9.50 1.30 -4 12 0 7.80 1.20 5 -12 0 98.19 3.20 -5 -12 0 95.49 2.60 -5 -12 0 96.19 2.60 5 -12 0 97.69 3.60 -5 12 0 97.29 3.30 -5 12 0 103.49 3.50 5 12 0 97.99 3.00 5 12 0 92.49 3.30 6 -12 0 -1.20 1.00 -6 -12 0 -0.10 0.50 -6 -12 0 -0.60 0.60 6 12 0 -1.00 0.90 -6 12 0 0.80 1.00 -6 12 0 1.10 1.10 6 12 0 1.30 1.00 -7 -12 0 6.90 0.90 -7 -12 0 6.60 0.70 7 -12 0 7.60 1.70 -7 12 0 7.20 1.30 7 12 0 5.50 1.10 -7 12 0 7.00 1.30 7 12 0 7.50 1.30 -8 -12 0 1.40 0.40 -8 -12 0 2.30 0.50 8 -12 0 2.90 1.50 -8 12 0 1.90 1.20 -8 12 0 1.70 1.40 8 12 0 1.60 0.90 9 -12 0 2.30 1.50 9 -12 0 -0.50 1.10 9 12 0 0.60 1.00 -9 12 0 0.30 1.30 10 -12 0 -0.70 1.40 10 -12 0 1.80 1.70 -10 12 0 -0.40 1.40 10 12 0 -0.20 1.00 11 -12 0 13.50 1.80 11 -12 0 15.80 2.30 -11 12 0 14.70 1.90 -11 12 0 15.40 2.10 11 12 0 20.80 2.20 11 12 0 16.90 1.90 12 -12 0 -3.20 1.60 12 12 0 1.20 1.60 -12 12 0 0.90 1.60 -12 12 0 -2.50 1.60 12 12 0 0.30 1.30 13 -12 0 2.60 2.40 -13 12 0 5.10 1.80 13 12 0 4.50 1.90 -13 12 0 1.30 1.90 13 12 0 -0.30 1.30 0 -13 0 -2.10 0.80 0 13 0 -2.50 1.30 1 -13 0 5.70 1.30 -1 -13 0 5.10 1.00 1 -13 0 7.50 1.20 -1 13 0 4.60 1.20 1 13 0 7.70 1.20 1 13 0 7.20 1.40 -2 -13 0 0.00 0.80 2 -13 0 -1.50 1.10 -2 -13 0 -0.20 0.80 -2 13 0 -2.90 1.10 2 13 0 -0.20 1.10 2 13 0 -1.30 0.90 -2 13 0 -2.60 0.90 -3 -13 0 104.89 3.00 -3 -13 0 109.59 3.10 3 -13 0 107.89 3.70 3 -13 0 99.39 3.80 3 13 0 105.89 3.30 3 13 0 108.59 3.70 -3 13 0 88.99 3.50 -3 13 0 109.39 3.50 4 -13 0 25.80 2.00 -4 -13 0 25.60 1.60 4 -13 0 23.70 2.30 -4 -13 0 21.80 1.60 -4 13 0 24.40 2.30 4 13 0 21.30 2.30 4 13 0 23.90 1.90 -4 13 0 20.80 2.00 5 -13 0 11.50 1.60 5 -13 0 9.80 1.30 -5 -13 0 11.20 1.30 -5 -13 0 13.90 1.30 5 13 0 9.30 1.80 5 13 0 8.00 1.20 -5 13 0 11.00 1.40 -5 13 0 10.20 1.40 -6 -13 0 0.80 0.70 -6 -13 0 1.50 0.60 6 13 0 0.90 0.90 -6 13 0 0.30 1.10 6 13 0 1.20 1.90 -6 13 0 1.10 1.10 -7 -13 0 5.60 0.70 -7 -13 0 5.50 0.70 7 -13 0 6.00 1.60 7 13 0 6.10 1.10 -7 13 0 4.30 1.50 7 13 0 3.50 1.20 -8 -13 0 15.50 1.00 8 -13 0 13.40 1.90 -8 -13 0 12.70 1.00 -8 13 0 14.20 1.80 8 13 0 15.20 2.00 8 13 0 13.90 1.70 9 -13 0 17.30 2.20 -9 13 0 15.00 2.60 9 13 0 18.20 2.10 -9 13 0 20.00 2.60 9 13 0 20.70 2.60 10 -13 0 7.00 2.10 10 -13 0 5.60 1.80 10 13 0 8.80 1.70 -10 13 0 6.60 1.70 10 13 0 8.50 1.40 -10 13 0 8.10 1.70 11 -13 0 3.20 2.00 11 -13 0 4.20 1.70 11 13 0 1.40 1.30 -11 13 0 1.30 1.70 -11 13 0 3.70 1.70 12 -13 0 -0.20 2.80 12 -13 0 -1.40 2.20 -12 13 0 0.90 1.70 -12 13 0 -1.00 1.80 12 13 0 0.70 1.40 0 -14 0 3.80 1.10 0 -14 0 1.10 1.20 0 14 0 3.00 1.40 0 14 0 4.90 1.30 -1 -14 0 83.09 2.90 1 -14 0 81.29 3.30 -1 14 0 77.49 3.20 1 14 0 87.09 3.20 -1 14 0 87.29 3.60 1 14 0 86.69 3.50 2 -14 0 9.50 1.50 2 -14 0 9.80 1.30 -2 -14 0 15.50 1.80 -2 -14 0 13.40 1.60 2 14 0 9.00 1.50 2 14 0 9.70 1.40 -2 14 0 9.30 1.40 -3 -14 0 8.80 1.10 -3 -14 0 8.70 1.10 3 -14 0 8.10 1.50 3 -14 0 9.80 1.40 3 14 0 7.60 1.50 3 14 0 9.50 1.30 -3 14 0 8.30 1.40 4 -14 0 3.40 1.20 -4 -14 0 3.20 0.90 -4 -14 0 3.70 0.90 4 -14 0 3.70 1.30 4 14 0 7.10 1.40 4 14 0 5.50 1.10 -4 14 0 4.50 1.60 5 -14 0 11.10 2.00 -5 -14 0 14.30 1.50 -5 -14 0 11.60 1.40 -5 14 0 9.20 1.50 5 14 0 12.30 1.70 5 14 0 17.20 1.90 -6 -14 0 -0.50 0.60 -6 -14 0 0.50 0.70 6 -14 0 1.20 1.40 6 14 0 -1.30 1.20 6 14 0 1.10 1.10 -6 14 0 -0.10 1.20 7 -14 0 26.60 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4 295.87 5.80 3 -4 4 917.51 16.90 3 -4 4 929.31 17.00 -3 -4 -4 943.21 16.90 -3 -4 -4 931.81 16.80 -3 4 -4 946.21 16.90 3 4 4 929.41 16.90 3 4 4 950.20 17.00 -3 4 -4 917.21 16.90 4 -4 4 11.40 1.00 -4 -4 -4 12.10 0.90 4 -4 4 10.40 1.10 -4 -4 -4 10.00 1.00 -4 4 -4 10.50 1.00 -4 4 -4 9.70 1.00 4 4 4 12.40 1.00 4 4 4 10.00 1.00 5 -4 4 231.88 5.00 -5 -4 -4 231.18 4.80 5 -4 4 223.78 4.80 -5 -4 -4 229.68 4.70 5 4 4 230.58 4.90 -5 4 -4 222.98 4.80 -5 4 -4 226.68 4.90 5 4 4 224.28 4.80 -6 -4 -4 0.00 0.50 6 -4 4 0.10 0.60 6 -4 4 0.10 0.60 -6 -4 -4 -1.20 0.50 6 4 4 0.30 0.60 -6 4 -4 0.00 0.60 -6 4 -4 -0.80 0.60 6 4 4 -0.80 0.50 -7 -4 -4 1.60 0.60 7 -4 4 2.50 0.80 7 -4 4 3.50 0.80 -7 -4 -4 2.20 0.70 7 4 4 2.10 0.80 -7 4 -4 1.30 0.70 -7 4 -4 2.10 0.80 7 4 4 1.80 0.70 8 -4 4 57.79 2.30 -8 -4 -4 58.49 1.90 8 -4 4 55.99 2.10 -8 -4 -4 55.79 2.00 8 4 4 58.19 2.20 8 4 4 57.29 2.20 -8 4 -4 58.29 2.20 -8 4 -4 60.59 2.20 9 -4 4 36.60 2.40 -9 -4 -4 39.70 1.80 -9 -4 -4 41.30 1.70 9 -4 4 39.40 2.10 9 4 4 43.90 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5.90 1.40 16 5 -4 9.20 1.40 15 -5 -4 1.00 1.40 15 -5 -4 0.30 1.50 15 5 -4 0.40 1.70 15 5 -4 0.00 1.00 14 -5 -4 -0.40 1.20 14 -5 -4 -2.20 1.90 14 5 -4 0.80 0.90 14 5 -4 -0.80 0.80 13 -5 -4 11.00 1.30 13 -5 -4 14.00 1.60 13 5 -4 12.90 1.40 -13 5 4 14.00 0.90 -13 5 4 12.00 0.90 13 5 -4 12.80 1.50 12 -5 -4 0.90 1.10 12 5 -4 1.40 0.60 -12 5 4 -0.20 0.50 12 5 -4 -0.10 0.60 -12 5 4 -0.50 0.50 11 -5 -4 93.89 3.20 11 -5 -4 96.49 2.90 11 5 -4 95.29 2.40 -11 5 4 97.89 2.40 -11 5 4 95.59 2.40 11 5 -4 97.59 2.50 10 -5 -4 0.90 0.90 10 -5 -4 0.40 0.80 -10 5 4 -0.10 0.50 10 5 -4 0.30 0.50 10 5 -4 0.50 0.50 -10 5 4 0.80 0.60 9 -5 -4 6.30 1.00 9 -5 -4 7.00 0.90 -9 5 4 8.20 1.00 9 5 -4 9.00 0.80 -9 5 4 9.20 1.00 9 5 -4 6.50 0.80 8 -5 -4 18.80 1.40 8 -5 -4 20.40 1.40 -8 5 4 19.90 1.20 8 5 -4 20.30 0.80 8 5 -4 19.80 0.80 -8 5 4 22.40 1.20 7 -5 -4 26.00 1.40 7 -5 -4 25.80 1.50 7 5 -4 25.10 0.80 -7 5 4 25.00 1.20 7 5 -4 24.80 0.80 -7 5 4 24.00 1.20 6 -5 -4 25.50 1.40 6 -5 -4 24.30 1.30 -6 5 4 25.00 1.20 6 5 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4 0.70 0.80 -4 9 -4 1.60 0.80 -4 9 -4 2.20 0.90 5 -9 4 19.20 1.90 5 -9 4 19.60 1.50 -5 -9 -4 21.70 1.40 -5 -9 -4 21.40 1.60 5 9 4 20.70 1.80 5 9 4 20.30 1.50 -5 9 -4 19.00 1.70 -5 9 -4 20.50 1.80 6 -9 4 3.00 1.10 -6 -9 -4 3.70 0.80 -6 -9 -4 4.30 0.90 6 -9 4 4.00 1.10 6 9 4 5.20 1.00 -6 9 -4 2.10 1.00 6 9 4 6.10 1.10 -6 9 -4 3.50 1.00 -7 -9 -4 69.99 2.20 7 -9 4 73.39 3.00 -7 -9 -4 72.99 2.50 7 9 4 71.19 2.80 -7 9 -4 68.09 2.90 -7 9 -4 75.09 2.80 7 9 4 67.79 2.60 -8 -9 -4 23.30 1.50 8 -9 4 27.30 2.20 -8 -9 -4 24.00 1.70 8 9 4 19.40 2.00 8 9 4 23.70 1.90 -8 9 -4 30.20 2.20 -8 9 -4 25.20 2.10 9 -9 4 -0.70 1.20 -9 -9 -4 0.40 0.70 -9 -9 -4 0.30 0.80 9 9 4 -1.40 0.90 9 9 4 -0.50 1.10 -9 9 -4 -0.50 1.00 -9 9 -4 -0.60 1.10 10 -9 4 -0.80 1.40 -10 -9 -4 0.20 0.90 -10 -9 -4 0.60 0.70 10 -9 4 0.00 1.10 10 9 4 1.50 1.20 -10 9 -4 2.10 1.20 -10 9 -4 -1.60 1.10 10 9 4 -0.80 0.90 -11 -9 -4 -1.10 0.80 -11 -9 -4 0.00 0.70 11 -9 4 -2.40 1.40 -11 9 -4 0.10 1.20 11 9 4 0.90 1.30 11 9 4 -2.60 1.10 -12 -9 -4 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10 -4 158.38 3.80 -9 10 4 165.18 4.30 -9 10 4 164.18 4.30 8 -10 -4 6.40 1.40 8 -10 -4 7.60 1.30 -8 10 4 7.00 1.20 8 10 -4 5.50 0.90 8 10 -4 4.60 0.80 -8 10 4 5.30 1.10 7 -10 -4 77.69 4.30 7 -10 -4 80.79 3.20 7 10 -4 81.69 2.40 -7 10 4 82.69 2.80 7 10 -4 81.99 2.50 -7 10 4 85.49 2.90 6 -10 -4 0.20 0.90 6 -10 -4 -0.70 1.00 -6 10 4 -1.30 0.80 6 10 -4 -0.60 0.60 6 10 -4 1.30 0.70 -6 10 4 0.30 0.80 5 -10 -4 -0.30 0.90 5 -10 -4 -1.00 0.80 -5 10 4 -0.60 0.90 5 10 -4 -1.00 0.50 -5 10 4 -1.50 0.70 5 10 -4 -1.20 0.60 -4 -10 4 -0.30 0.30 -4 -10 4 0.00 0.30 4 -10 -4 0.60 0.90 4 -10 -4 0.70 0.80 -4 10 4 -1.90 0.70 -4 10 4 -0.30 0.90 4 10 -4 -0.10 0.60 4 10 -4 0.10 0.70 -3 -10 4 110.09 2.60 3 -10 -4 114.39 3.40 3 -10 -4 112.49 3.20 -3 -10 4 111.09 2.50 -3 10 4 112.99 3.20 3 10 -4 109.99 3.10 -3 10 4 115.69 3.40 3 10 -4 113.29 2.90 2 -10 -4 34.30 1.90 2 -10 -4 32.80 1.80 -2 -10 4 35.40 1.30 -2 -10 4 34.10 1.50 -2 10 4 34.30 2.00 -2 10 4 36.90 1.90 2 10 -4 33.00 1.60 2 10 -4 34.10 1.80 1 -10 -4 27.40 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5.60 1.00 13 -10 4 8.00 2.30 -13 10 -4 8.70 1.90 13 10 4 8.30 2.00 13 10 4 8.10 1.80 -13 10 -4 6.40 2.00 14 -11 -4 -2.10 2.20 14 -11 -4 1.00 1.90 -14 11 4 -0.30 1.50 -14 11 4 -0.20 1.40 14 11 -4 2.20 1.50 14 11 -4 2.70 1.20 13 -11 -4 -0.60 1.60 13 -11 -4 0.90 2.00 -13 11 4 5.60 1.40 -13 11 4 0.50 1.40 13 11 -4 3.70 1.40 13 11 -4 2.50 1.10 12 -11 -4 -2.90 1.70 12 -11 -4 1.50 1.50 12 11 -4 0.90 1.10 12 11 -4 0.20 0.90 -12 11 4 -0.10 1.10 -12 11 4 -0.30 1.30 11 -11 -4 6.50 1.90 11 -11 -4 8.20 1.60 -11 11 4 9.10 1.40 11 11 -4 6.30 1.00 -11 11 4 7.60 1.40 10 -11 -4 56.49 2.90 10 -11 -4 62.39 3.30 -10 11 4 60.69 2.80 10 11 -4 56.79 2.30 -10 11 4 54.49 2.80 9 -11 -4 4.10 1.30 9 -11 -4 2.90 2.20 -9 11 4 4.60 1.20 -9 11 4 1.70 1.30 9 11 -4 3.60 1.00 9 11 -4 4.70 0.90 8 -11 -4 2.20 1.30 8 -11 -4 1.90 1.20 8 11 -4 0.50 0.90 -8 11 4 1.90 1.00 8 11 -4 1.00 0.80 7 -11 -4 44.60 2.40 7 -11 -4 38.80 2.60 -7 11 4 40.10 2.20 7 11 -4 40.30 2.00 -7 11 4 41.90 2.30 7 11 -4 37.90 1.90 6 -11 -4 -0.20 1.00 6 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4.20 8 11 -5 171.98 4.10 -8 11 5 166.78 4.70 7 -11 -5 5.20 1.20 7 -11 -5 5.00 1.30 7 11 -5 4.50 0.90 -7 11 5 3.60 1.00 -7 11 5 5.20 1.20 7 11 -5 3.80 0.90 6 -11 -5 2.10 1.10 6 -11 -5 0.30 1.00 -6 11 5 1.30 1.00 6 11 -5 1.20 0.80 -6 11 5 0.20 0.90 6 11 -5 -0.90 0.70 5 -11 -5 -0.10 1.00 5 -11 -5 0.40 1.70 5 11 -5 -0.50 0.80 5 11 -5 -0.80 0.60 -5 11 5 -1.50 0.80 -5 11 5 -0.30 1.00 4 -11 -5 37.40 2.30 4 -11 -5 36.70 2.10 -4 -11 5 36.60 1.10 -4 -11 5 36.30 1.10 -4 11 5 39.90 2.10 4 11 -5 34.80 1.90 4 11 -5 34.70 1.70 -4 11 5 37.90 2.30 3 -11 -5 5.40 1.20 -3 -11 5 5.10 0.70 3 -11 -5 5.20 1.10 -3 -11 5 5.90 0.60 3 11 -5 5.30 0.80 -3 11 5 4.90 1.10 3 11 -5 6.00 1.00 -3 11 5 6.40 1.30 -2 -11 5 129.39 3.00 2 -11 -5 130.99 3.60 -2 -11 5 130.39 3.20 2 -11 -5 129.49 3.80 -2 11 5 129.59 3.90 -2 11 5 132.69 3.70 2 11 -5 129.29 3.60 2 11 -5 134.49 3.40 1 -11 -5 0.40 0.90 -1 -11 5 -1.60 0.70 1 -11 -5 0.50 0.90 -1 -11 5 1.10 0.60 -1 11 5 -0.80 0.80 1 11 -5 0.50 0.90 -1 11 5 0.60 1.00 1 11 -5 0.20 0.80 0 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1.00 7 -11 5 1.20 1.30 -7 -11 -5 1.20 0.80 -7 -11 -5 0.40 1.00 -7 11 -5 0.60 1.30 7 11 5 -0.30 1.00 -8 -11 -5 66.39 2.40 -8 -11 -5 69.29 2.80 8 -11 5 68.99 3.60 -8 11 -5 70.59 3.20 8 11 5 65.79 3.60 8 11 5 68.79 3.40 9 -11 5 -1.50 1.50 -9 -11 -5 0.50 0.80 -9 -11 -5 -0.20 1.10 9 11 5 -1.70 1.00 -9 11 -5 -1.40 1.30 9 11 5 0.10 1.40 -9 11 -5 -0.60 1.40 10 -11 5 37.10 3.00 -10 -11 -5 35.10 2.00 10 -11 5 40.70 3.50 -10 -11 -5 40.80 2.40 10 11 5 35.70 3.30 -10 11 -5 34.20 3.00 10 11 5 37.60 2.70 -10 11 -5 35.10 3.20 11 -11 5 0.80 1.60 -11 -11 -5 0.50 1.20 11 -11 5 1.00 2.00 -11 -11 -5 -0.20 0.90 11 11 5 1.90 1.80 -11 11 -5 -0.10 1.70 -11 11 -5 -1.50 1.80 11 11 5 -0.20 1.40 -12 -11 -5 4.80 1.20 12 -11 5 5.70 2.30 -12 -11 -5 2.90 0.90 -12 11 -5 1.50 1.90 -12 11 -5 3.50 2.10 12 11 5 3.00 1.60 12 11 5 2.90 2.00 13 -12 -5 -2.20 1.90 13 -12 -5 -1.60 2.20 -13 12 5 3.70 2.40 -13 12 5 -1.40 1.50 13 12 -5 1.50 1.10 12 -12 -5 6.60 2.10 12 -12 -5 4.60 1.70 -12 12 5 4.80 1.50 12 12 -5 5.60 1.70 12 12 -5 5.40 1.20 -12 12 5 5.90 2.10 11 -12 -5 0.30 1.50 11 -12 -5 0.90 1.70 11 12 -5 0.90 1.00 11 12 -5 1.50 1.10 -11 12 5 -0.70 1.30 -11 12 5 1.70 1.30 10 -12 -5 12.80 2.00 10 -12 -5 10.90 1.70 -10 12 5 10.50 1.60 -10 12 5 13.90 1.60 10 12 -5 10.40 1.20 10 12 -5 12.40 1.40 9 -12 -5 0.50 1.50 9 -12 -5 -0.90 1.20 9 12 -5 0.20 1.00 -9 12 5 0.90 1.30 9 12 -5 0.20 0.90 -9 12 5 -0.40 1.10 8 -12 -5 14.70 1.90 8 -12 -5 21.30 2.20 8 12 -5 16.90 1.90 -8 12 5 22.20 2.30 8 12 -5 17.30 1.70 -8 12 5 22.80 2.10 7 -12 -5 2.80 1.50 7 -12 -5 3.30 1.20 7 12 -5 1.20 0.90 -7 12 5 1.70 1.00 7 12 -5 3.40 1.00 -7 12 5 2.80 1.30 6 -12 -5 74.69 3.20 6 -12 -5 58.49 2.80 6 12 -5 68.09 2.60 -6 12 5 72.79 3.00 6 12 -5 69.39 2.40 -6 12 5 70.39 2.80 5 -12 -5 4.20 1.20 5 -12 -5 1.00 1.00 -5 12 5 2.50 1.00 -5 12 5 3.70 1.50 5 12 -5 2.90 0.80 5 12 -5 4.90 1.00 -4 -12 5 27.10 1.10 -4 -12 5 28.60 1.10 4 -12 -5 28.60 2.30 4 -12 -5 24.80 1.90 -4 12 5 30.30 2.00 4 12 -5 30.60 1.80 -4 12 5 25.20 3.20 4 12 -5 32.20 2.00 -3 -12 5 5.40 0.60 -3 -12 5 4.20 0.70 3 -12 -5 3.80 1.20 3 -12 -5 3.80 1.30 -3 12 5 4.50 1.10 3 12 -5 4.70 1.00 3 12 -5 5.60 1.00 2 -12 -5 1.00 1.00 -2 -12 5 1.00 0.70 -2 -12 5 1.90 0.60 2 12 -5 1.40 1.00 -2 12 5 0.40 1.00 -2 12 5 2.10 2.20 2 12 -5 0.90 0.80 -1 -12 5 123.59 3.10 1 -12 -5 117.09 3.70 -1 -12 5 117.89 3.40 1 12 -5 123.49 3.40 1 12 -5 125.69 3.70 -1 12 5 120.79 3.60 0 -12 5 216.38 4.80 0 -12 5 219.68 5.20 0 -12 -5 218.78 5.30 0 -12 -5 214.28 5.40 0 12 -5 226.28 5.50 0 12 -5 218.18 5.20 0 12 5 220.58 5.40 -1 -12 -5 58.59 2.70 1 -12 5 57.19 2.20 1 -12 5 52.79 2.60 -1 -12 -5 53.09 2.50 -1 12 -5 55.09 2.70 -1 12 -5 52.79 2.30 1 12 5 54.19 2.50 2 -12 5 13.80 1.30 2 -12 5 12.50 1.50 -2 -12 -5 17.40 1.90 -2 -12 -5 14.40 1.80 2 12 5 16.40 1.70 -2 12 -5 10.20 1.30 2 12 5 10.60 1.60 -3 -12 -5 -0.80 0.90 3 -12 5 -0.60 0.80 -3 -12 -5 -1.30 1.00 3 -12 5 -1.30 1.10 3 12 5 -0.10 1.20 3 12 5 0.40 0.90 -3 12 -5 -1.60 0.90 -3 12 -5 -2.00 1.10 4 -12 5 -0.10 1.20 4 -12 5 -0.50 0.90 -4 -12 -5 -0.60 0.90 -4 -12 -5 1.00 1.00 4 12 5 0.50 1.00 4 12 5 0.50 1.20 -5 -12 -5 1.00 0.80 -5 -12 -5 1.40 1.00 5 -12 5 -2.30 1.10 5 -12 5 -1.00 1.00 5 12 5 0.60 1.20 5 12 5 -0.20 0.90 -5 12 -5 -1.40 1.00 -6 -12 -5 46.20 2.40 6 -12 5 37.10 4.40 -6 -12 -5 41.00 2.10 -6 12 -5 43.20 2.70 6 12 5 40.90 2.40 6 12 5 41.70 2.80 -7 -12 -5 50.19 2.30 -7 -12 -5 51.49 2.60 7 -12 5 47.10 3.20 -7 12 -5 53.59 3.00 7 12 5 51.39 3.10 -8 -12 -5 8.90 1.10 -8 -12 -5 8.40 1.30 8 -12 5 9.90 1.90 8 -12 5 8.90 1.60 8 12 5 9.90 1.50 -8 12 -5 9.50 1.70 -8 12 -5 7.00 1.60 -9 -12 -5 3.80 1.00 9 -12 5 0.60 1.50 -9 -12 -5 2.20 1.20 9 -12 5 3.70 1.70 -9 12 -5 4.10 1.60 9 12 5 3.10 1.40 -9 12 -5 3.40 1.60 10 -12 5 24.40 3.10 10 -12 5 20.10 2.50 -10 -12 -5 18.70 1.80 -10 -12 -5 19.70 2.30 10 12 5 20.80 2.60 10 12 5 33.70 3.50 -10 12 -5 20.90 2.30 -10 12 -5 27.90 3.10 11 -12 5 1.30 2.10 -11 -12 -5 1.00 1.00 -11 -12 -5 0.00 1.20 11 -12 5 0.20 1.80 11 12 5 -0.30 1.80 -11 12 -5 1.60 1.80 11 12 5 -1.90 1.40 -11 12 -5 -2.00 1.90 -12 -12 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33.90 2.40 -2 13 -5 35.90 2.30 -3 -13 -5 4.60 1.10 3 -13 5 2.60 1.30 3 -13 5 4.50 1.10 -3 13 -5 2.40 1.20 -3 13 -5 4.10 1.30 3 13 5 7.00 1.60 3 13 5 5.70 1.20 4 -13 5 1.20 1.10 4 -13 5 -0.50 1.20 -4 -13 -5 1.20 1.00 4 13 5 0.90 1.00 4 13 5 2.00 1.40 -4 13 -5 -0.20 2.00 -5 -13 -5 6.40 1.60 5 -13 5 7.70 2.70 -5 -13 -5 5.70 1.10 -5 13 -5 7.40 1.40 5 13 5 6.30 1.50 5 13 5 6.50 1.50 -6 -13 -5 4.30 1.30 6 -13 5 0.80 1.40 -6 -13 -5 1.90 1.00 6 13 5 2.00 1.30 -6 13 -5 1.30 1.30 6 13 5 3.00 1.60 7 -13 5 15.10 1.80 -7 -13 -5 16.90 1.80 7 -13 5 18.90 2.20 -7 -13 -5 21.60 2.30 -7 13 -5 12.30 1.80 -7 13 -5 15.70 1.90 7 13 5 15.30 2.00 7 13 5 21.50 2.30 -8 -13 -5 46.00 2.70 8 -13 5 41.00 2.80 -8 -13 -5 45.00 2.30 8 -13 5 51.19 3.50 -8 13 -5 42.40 3.10 -8 13 -5 47.10 3.20 8 13 5 47.80 3.50 8 13 5 44.30 2.80 -9 -13 -5 0.10 0.90 9 -13 5 0.10 1.60 9 -13 5 1.40 1.90 -9 -13 -5 0.10 1.30 -9 13 -5 -0.40 1.60 -9 13 -5 1.50 1.60 9 13 5 0.80 1.70 9 13 5 1.80 1.40 -10 -13 -5 5.30 1.10 10 -13 5 5.60 1.80 10 -13 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6 185.38 4.00 5 6 -6 174.78 3.40 5 6 -6 180.18 3.50 -5 6 6 177.18 3.90 4 -6 -6 38.60 1.60 4 -6 -6 37.40 1.60 -4 6 6 39.20 1.50 4 6 -6 38.10 1.10 4 6 -6 36.30 1.20 -4 6 6 38.00 1.60 3 -6 -6 268.77 5.60 3 -6 -6 271.97 5.80 -3 6 6 277.47 5.60 3 6 -6 269.67 5.20 -3 6 6 280.57 5.70 3 6 -6 273.07 5.30 2 -6 -6 164.98 3.70 -2 -6 6 164.48 3.10 2 -6 -6 155.48 3.80 -2 -6 6 162.98 3.20 2 6 -6 163.88 3.40 -2 6 6 160.08 3.80 2 6 -6 158.48 3.50 -2 6 6 169.28 3.70 1 -6 -6 13.50 1.10 -1 -6 6 12.80 0.90 -1 -6 6 12.10 0.80 -1 6 6 13.60 1.00 -1 6 6 12.40 1.20 1 6 -6 12.10 0.90 1 6 -6 13.50 1.00 0 -6 6 -0.10 0.40 0 -6 -6 -0.40 0.60 0 -6 -6 -0.60 0.50 0 -6 6 -0.40 0.40 0 6 -6 -0.10 0.40 0 6 -6 -0.10 0.50 0 6 6 -0.20 0.50 0 6 6 0.30 0.60 -1 -6 -6 0.70 0.60 1 -6 6 0.30 0.50 1 -6 6 0.20 0.50 -1 -6 -6 0.20 0.60 -1 6 -6 -0.10 0.50 1 6 6 1.30 0.60 -1 6 -6 0.10 0.50 1 6 6 1.50 0.60 -2 -6 -6 217.68 4.70 2 -6 6 216.28 4.70 2 -6 6 211.48 4.50 -2 -6 -6 215.78 4.70 2 6 6 209.38 4.80 -2 6 -6 216.58 4.70 -2 6 -6 218.78 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0.10 1.10 14 4 -10 -0.30 0.60 14 4 -10 0.00 0.60 13 -4 -10 -0.30 1.00 13 -4 -10 0.30 1.10 13 4 -10 0.10 0.50 13 4 -10 -0.70 0.40 12 -4 -10 6.40 1.20 12 -4 -10 6.90 1.10 12 4 -10 6.70 0.60 12 4 -10 7.30 0.60 11 -4 -10 -0.10 0.90 11 -4 -10 0.40 0.80 10 -4 -10 33.10 2.00 10 -4 -10 32.50 1.80 9 -4 -10 0.00 0.80 9 -4 -10 0.10 0.70 8 -4 -10 1.30 0.80 8 -4 -10 1.20 0.70 7 -4 -10 204.18 4.50 7 -4 -10 204.98 4.70 7 4 -10 199.38 3.70 -7 4 10 197.28 3.90 7 4 -10 193.48 3.70 -7 4 10 199.88 3.70 6 -4 -10 -0.30 0.60 6 -4 -10 0.20 0.70 -6 4 10 0.00 0.40 6 4 -10 0.10 0.30 -6 4 10 0.30 0.40 6 4 -10 0.30 0.30 5 -4 -10 32.80 1.50 5 -4 -10 36.00 1.70 5 4 -10 34.50 1.10 -5 4 10 33.90 1.40 5 4 -10 34.60 1.10 -5 4 10 36.30 1.30 4 -4 -10 1.60 0.60 4 4 -10 1.70 0.40 -4 4 10 0.80 0.60 4 4 -10 2.00 0.40 -4 4 10 1.60 0.50 3 -4 -10 8.20 1.10 3 -4 -10 6.50 0.80 3 4 -10 9.30 0.80 3 4 -10 8.50 0.80 -3 4 10 7.90 0.80 -3 4 10 8.00 0.90 -2 -4 10 5.80 0.70 -2 -4 10 5.90 0.70 2 -4 -10 4.70 0.80 2 -4 -10 6.40 0.80 2 4 -10 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12 62.09 2.30 -1 -6 12 15.60 1.20 1 -6 -12 16.40 1.80 -1 -6 12 14.40 1.30 1 -6 -12 16.80 1.60 1 6 -12 15.70 1.50 -1 6 12 13.70 1.70 1 6 -12 17.60 1.40 -1 6 12 16.00 1.50 0 -6 12 0.20 0.70 0 -6 12 0.10 0.60 0 -6 -12 -0.60 0.90 0 -6 -12 1.00 0.90 0 6 12 -0.10 1.00 0 6 12 0.20 0.80 0 6 -12 -0.30 0.70 0 6 -12 -0.30 0.80 1 -6 12 6.30 0.90 -1 -6 -12 8.00 1.10 1 -6 12 7.00 1.00 -1 6 -12 8.20 1.10 1 6 12 8.30 1.30 -1 6 -12 7.80 1.10 1 6 12 9.10 1.10 2 -6 12 13.80 1.70 -2 -6 -12 15.10 1.80 -2 -6 -12 14.30 1.50 2 -6 12 13.90 1.30 2 6 12 15.20 1.60 -2 6 -12 13.70 1.70 -2 6 -12 11.50 2.20 -3 -6 -12 107.99 3.70 3 -6 12 125.89 3.60 3 -6 12 127.09 3.80 -3 -6 -12 129.29 3.70 3 6 12 131.39 3.80 -3 6 -12 122.09 3.80 3 6 12 132.19 4.10 -3 6 -12 117.79 3.60 4 -6 12 78.79 3.10 4 -6 12 82.09 3.10 -4 -6 -12 86.89 3.10 -4 -6 -12 81.39 3.20 -4 6 -12 82.19 3.20 4 6 12 86.89 3.50 4 6 12 88.69 3.20 -4 6 -12 85.29 3.10 5 -6 12 50.19 2.80 -5 -6 -12 46.50 2.90 5 -6 12 46.60 2.60 5 6 12 39.70 4.20 -6 -6 -12 1.30 1.10 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-3 7 19 0.79 0.00 -2 7 19 -0.06 0.00 -1 7 19 0.46 0.00 0 7 19 -0.04 0.00 1 7 19 0.36 0.00 2 7 19 -0.62 0.00 3 7 19 -0.08 0.00 4 7 19 -0.78 0.00 -8 8 19 -0.12 0.00 -7 8 19 -0.37 0.00 -6 8 19 -0.41 0.00 -5 8 19 -0.63 0.00 -4 8 19 -0.65 0.00 -3 8 19 0.03 0.00 -2 8 19 -0.31 0.00 -1 8 19 0.03 0.00 0 8 19 -0.13 0.00 1 8 19 0.13 0.00 2 8 19 -0.14 0.00 3 8 19 0.45 0.00 -8 9 19 0.12 0.00 -7 9 19 0.28 0.00 -6 9 19 0.62 0.00 -5 9 19 0.30 0.00 -4 9 19 0.23 0.00 -3 9 19 0.09 0.00 -2 9 19 -0.21 0.00 -1 9 19 -0.18 0.00 0 9 19 0.05 0.00 1 9 19 -0.06 0.00 2 9 19 -0.05 0.00 -6 10 19 -0.07 0.00 -5 10 19 -0.35 0.00 -4 10 19 0.21 0.00 -3 10 19 0.32 0.00 -2 10 19 0.41 0.00 -1 10 19 0.13 0.00 0 10 19 0.23 0.00 1 10 19 -0.09 0.00 -4 11 19 -0.26 0.00 -3 11 19 -0.53 0.00 -2 11 19 -0.37 0.00 -10 0 20 -0.14 0.00 -8 0 20 0.39 0.00 -6 0 20 0.09 0.00 -4 0 20 -0.05 0.00 -2 0 20 0.42 0.00 0 0 20 0.83 0.00 2 0 20 0.58 0.00 4 0 20 -0.36 0.00 -10 1 20 -0.54 0.00 -9 1 20 -0.12 0.00 -8 1 20 -0.41 0.00 -7 1 20 -0.29 0.00 -6 1 20 -0.15 0.00 -5 1 20 0.09 0.00 -4 1 20 -0.12 0.00 -3 1 20 -0.09 0.00 -2 1 20 -0.20 0.00 -1 1 20 -0.55 0.00 0 1 20 -0.31 0.00 1 1 20 -0.70 0.00 2 1 20 0.04 0.00 3 1 20 -0.10 0.00 4 1 20 0.36 0.00 -10 2 20 -0.21 0.00 -9 2 20 0.68 0.00 -8 2 20 0.20 0.00 -7 2 20 0.30 0.00 -6 2 20 0.08 0.00 -5 2 20 0.14 0.00 -4 2 20 -0.11 0.00 -3 2 20 0.23 0.00 -2 2 20 0.17 0.00 -1 2 20 0.54 0.00 0 2 20 0.41 0.00 1 2 20 0.41 0.00 2 2 20 0.27 0.00 3 2 20 -0.54 0.00 4 2 20 -0.17 0.00 -10 3 20 -0.43 0.00 -9 3 20 0.14 0.00 -8 3 20 -0.30 0.00 -7 3 20 -0.23 0.00 -6 3 20 -0.09 0.00 -5 3 20 -0.02 0.00 -4 3 20 -0.19 0.00 -3 3 20 0.01 0.00 -2 3 20 -0.47 0.00 -1 3 20 -0.22 0.00 0 3 20 -0.83 0.00 1 3 20 -0.08 0.00 2 3 20 0.13 0.00 3 3 20 0.15 0.00 4 3 20 1.02 0.00 -9 4 20 -0.01 0.00 -8 4 20 0.10 0.00 -7 4 20 -0.02 0.00 -6 4 20 0.31 0.00 -5 4 20 0.17 0.00 -4 4 20 0.01 0.00 -3 4 20 0.36 0.00 -2 4 20 0.18 0.00 -1 4 20 0.78 0.00 0 4 20 0.09 0.00 1 4 20 0.51 0.00 2 4 20 -0.43 0.00 3 4 20 -0.93 0.00 4 4 20 -0.40 0.00 -9 5 20 0.18 0.00 -8 5 20 0.19 0.00 -7 5 20 -0.41 0.00 -6 5 20 -0.11 0.00 -5 5 20 -0.22 0.00 -4 5 20 -0.45 0.00 -3 5 20 -0.02 0.00 -2 5 20 -0.59 0.00 -1 5 20 -0.24 0.00 0 5 20 -0.75 0.00 1 5 20 0.42 0.00 2 5 20 0.27 0.00 3 5 20 0.82 0.00 -8 6 20 0.19 0.00 -7 6 20 -0.02 0.00 -6 6 20 0.48 0.00 -5 6 20 0.48 0.00 -4 6 20 -0.01 0.00 -3 6 20 0.64 0.00 -2 6 20 0.09 0.00 -1 6 20 0.64 0.00 0 6 20 -0.08 0.00 1 6 20 0.29 0.00 2 6 20 -0.88 0.00 3 6 20 -0.60 0.00 -8 7 20 0.09 0.00 -7 7 20 -0.44 0.00 -6 7 20 -0.28 0.00 -5 7 20 -0.33 0.00 -4 7 20 -0.66 0.00 -3 7 20 0.10 0.00 -2 7 20 -0.55 0.00 -1 7 20 -0.08 0.00 0 7 20 -0.37 0.00 1 7 20 0.44 0.00 2 7 20 0.07 0.00 -7 8 20 0.12 0.00 -6 8 20 0.56 0.00 -5 8 20 0.40 0.00 -4 8 20 0.12 0.00 -3 8 20 0.40 0.00 -2 8 20 -0.03 0.00 -1 8 20 0.19 0.00 0 8 20 0.01 0.00 1 8 20 0.04 0.00 -5 9 20 -0.42 0.00 -4 9 20 -0.07 0.00 -3 9 20 0.10 0.00 -2 9 20 0.08 0.00 -1 9 20 -0.05 0.00 -9 0 21 -0.42 0.00 -7 0 21 -0.27 0.00 -5 0 21 0.07 0.00 -3 0 21 -0.06 0.00 -1 0 21 -0.42 0.00 1 0 21 -0.69 0.00 3 0 21 0.03 0.00 -9 1 21 0.47 0.00 -8 1 21 0.44 0.00 -7 1 21 0.21 0.00 -6 1 21 0.04 0.00 -5 1 21 0.06 0.00 -4 1 21 -0.07 0.00 -3 1 21 0.07 0.00 -2 1 21 0.13 0.00 -1 1 21 0.22 0.00 0 1 21 0.51 0.00 1 1 21 0.11 0.00 2 1 21 0.38 0.00 3 1 21 -0.22 0.00 -8 2 21 -0.43 0.00 -7 2 21 -0.27 0.00 -6 2 21 -0.08 0.00 -5 2 21 0.06 0.00 -4 2 21 -0.02 0.00 -3 2 21 0.07 0.00 -2 2 21 -0.23 0.00 -1 2 21 -0.13 0.00 0 2 21 -0.47 0.00 1 2 21 -0.29 0.00 2 2 21 0.14 0.00 -8 3 21 0.31 0.00 -7 3 21 0.05 0.00 -6 3 21 0.15 0.00 -5 3 21 -0.04 0.00 -4 3 21 -0.08 0.00 -3 3 21 0.07 0.00 -2 3 21 0.03 0.00 -1 3 21 0.58 0.00 0 3 21 0.05 0.00 1 3 21 0.35 0.00 2 3 21 -0.06 0.00 -8 4 21 0.04 0.00 -7 4 21 -0.35 0.00 -6 4 21 0.07 0.00 -5 4 21 -0.05 0.00 -4 4 21 -0.06 0.00 -3 4 21 -0.01 0.00 -2 4 21 -0.40 0.00 -1 4 21 -0.14 0.00 0 4 21 -0.72 0.00 1 4 21 0.26 0.00 2 4 21 0.25 0.00 -7 5 21 -0.10 0.00 -6 5 21 0.27 0.00 -5 5 21 0.19 0.00 -4 5 21 -0.10 0.00 -3 5 21 0.38 0.00 -2 5 21 0.18 0.00 -1 5 21 0.71 0.00 0 5 21 -0.08 0.00 1 5 21 0.28 0.00 -6 6 21 -0.16 0.00 -5 6 21 0.01 0.00 -4 6 21 -0.52 0.00 -3 6 21 0.09 0.00 -2 6 21 -0.65 0.00 -1 6 21 -0.16 0.00 0 6 21 -0.54 0.00 -5 7 21 0.42 0.00 -4 7 21 -0.17 0.00 -3 7 21 0.62 0.00 -2 7 21 0.06 0.00 -1 7 21 0.53 0.00 -6 0 22 0.07 0.00 -4 0 22 0.03 0.00 -2 0 22 0.12 0.00 0 0 22 0.61 0.00 -6 1 22 -0.08 0.00 -5 1 22 -0.02 0.00 -4 1 22 -0.04 0.00 -3 1 22 0.01 0.00 -2 1 22 -0.14 0.00 -1 1 22 -0.26 0.00 0 1 22 -0.20 0.00 -6 2 22 0.09 0.00 -5 2 22 -0.02 0.00 -4 2 22 -0.04 0.00 -3 2 22 0.05 0.00 -2 2 22 -0.02 0.00 -1 2 22 0.38 0.00 0 2 22 0.25 0.00 -6 3 22 0.12 0.00 -5 3 22 0.01 0.00 -4 3 22 0.10 0.00 -3 3 22 0.04 0.00 -2 3 22 -0.25 0.00 -1 3 22 -0.06 0.00 -5 4 22 -0.09 0.00 -4 4 22 -0.08 0.00 -3 4 22 0.09 0.00 -2 4 22 0.14 0.00 1 1 0 -67.38 0.00 0 2 0 54.25 0.00 16 6 0 0.28 0.00 15 9 0 -0.19 0.00 13 13 0 0.41 0.00 -1 0 1 -76.13 0.00 1 0 1 -62.36 0.00 -1 1 1 2.13 0.00 0 1 1 68.55 0.00 1 1 1 -0.43 0.00 0 2 1 -1.09 0.00 16 5 1 0.05 0.00 -16 6 1 0.31 0.00 14 11 1 -0.33 0.00 -7 19 1 0.23 0.00 -2 0 2 60.33 0.00 0 0 2 59.76 0.00 -1 1 2 -60.02 0.00 0 1 2 -1.54 0.00 16 4 2 -0.11 0.00 15 8 2 0.32 0.00 12 14 2 -0.51 0.00 8 18 2 -0.03 0.00 -7 19 2 -0.03 0.00 4 20 2 -0.20 0.00 -17 0 3 0.24 0.00 16 1 3 0.46 0.00 16 2 3 0.13 0.00 -16 7 3 0.17 0.00 14 10 3 0.03 0.00 13 12 3 0.67 0.00 10 16 3 -0.13 0.00 9 17 3 0.01 0.00 6 19 3 -0.25 0.00 -17 1 4 0.42 0.00 -16 7 4 0.45 0.00 12 13 4 0.24 0.00 -4 20 4 -0.33 0.00 3 20 4 -0.61 0.00 -17 0 5 0.65 0.00 -17 1 5 0.15 0.00 15 5 5 -0.18 0.00 -16 7 5 -0.06 0.00 13 11 5 -0.35 0.00 11 14 5 0.63 0.00 5 19 5 0.29 0.00 -3 20 5 0.06 0.00 2 20 5 0.67 0.00 15 3 6 0.11 0.00 13 10 6 -0.25 0.00 12 12 6 -0.69 0.00 -13 13 6 -0.02 0.00 -8 18 6 0.12 0.00 -6 19 6 0.10 0.00 -2 20 6 -0.12 0.00 -1 20 6 -0.49 0.00 0 20 6 -0.42 0.00 1 20 6 -0.58 0.00 -13 13 7 0.04 0.00 11 13 7 -0.19 0.00 -9 17 7 -0.39 0.00 7 17 7 -0.15 0.00 14 5 8 0.33 0.00 -16 6 8 0.35 0.00 13 8 8 -0.33 0.00 -15 9 8 0.32 0.00 -14 11 8 -0.23 0.00 -12 14 8 -0.05 0.00 -11 15 8 0.32 0.00 -10 16 8 -0.48 0.00 -7 18 8 -0.22 0.00 2 19 8 -0.28 0.00 14 1 9 -0.35 0.00 14 2 9 0.51 0.00 -16 5 9 0.41 0.00 13 7 9 -0.37 0.00 10 13 9 -0.41 0.00 9 14 9 0.31 0.00 7 16 9 -0.37 0.00 4 18 9 -0.12 0.00 -3 19 9 0.16 0.00 -2 19 9 -0.25 0.00 0 19 9 0.13 0.00 -16 4 10 0.14 0.00 13 5 10 -0.30 0.00 -15 8 10 0.08 0.00 12 8 10 -0.03 0.00 -14 10 10 -0.18 0.00 10 12 10 -0.26 0.00 -9 16 10 -0.12 0.00 13 0 11 0.94 0.00 13 1 11 -0.40 0.00 -16 2 11 0.26 0.00 -16 3 11 -0.16 0.00 -15 7 11 0.11 0.00 11 9 11 -0.02 0.00 10 11 11 -0.18 0.00 -4 18 11 -0.47 0.00 0 18 11 -0.29 0.00 1 18 11 0.10 0.00 12 4 12 0.11 0.00 -15 6 12 0.17 0.00 10 10 12 -0.16 0.00 -12 12 12 0.01 0.00 7 14 12 -0.17 0.00 2 17 12 0.29 0.00 11 6 13 -0.22 0.00 -14 8 13 -0.35 0.00 -13 10 13 -0.24 0.00 7 13 13 -0.30 0.00 6 14 13 0.33 0.00 3 16 13 -0.41 0.00 -3 17 13 0.58 0.00 -2 17 13 -0.12 0.00 -1 17 13 0.36 0.00 -15 1 14 -0.15 0.00 11 1 14 0.95 0.00 -15 2 14 0.06 0.00 11 2 14 -0.22 0.00 -13 9 14 0.01 0.00 9 9 14 0.33 0.00 -11 12 14 -0.10 0.00 7 12 14 -0.30 0.00 -10 13 14 0.10 0.00 6 13 14 0.36 0.00 -7 15 14 -0.27 0.00 -5 16 14 0.40 0.00 1 16 14 -0.26 0.00 10 3 15 -0.58 0.00 10 4 15 -0.09 0.00 -14 5 15 -0.57 0.00 9 7 15 -0.27 0.00 8 9 15 -0.64 0.00 -11 11 15 -0.14 0.00 -10 12 15 0.27 0.00 -9 13 15 -0.19 0.00 1 15 15 -0.20 0.00 -14 0 16 0.17 0.00 -14 1 16 0.02 0.00 -14 2 16 0.35 0.00 9 4 16 0.13 0.00 -13 6 16 -0.07 0.00 8 7 16 0.28 0.00 7 9 16 0.83 0.00 -11 10 16 -0.03 0.00 -9 12 16 -0.16 0.00 -8 13 16 0.02 0.00 -6 14 16 0.66 0.00 -13 4 17 -0.47 0.00 8 4 17 0.04 0.00 -12 7 17 -0.17 0.00 7 7 17 -0.23 0.00 6 9 17 -0.82 0.00 -10 10 17 0.00 0.00 5 10 17 0.37 0.00 -9 11 17 0.06 0.00 4 11 17 -0.14 0.00 -8 12 17 -0.07 0.00 3 12 17 0.15 0.00 -6 13 17 0.60 0.00 1 13 17 0.16 0.00 7 4 18 -0.41 0.00 -12 5 18 0.09 0.00 -11 7 18 0.01 0.00 6 7 18 0.20 0.00 -6 12 18 0.39 0.00 1 12 18 0.18 0.00 6 3 19 -0.26 0.00 -11 5 19 -0.37 0.00 5 6 19 0.73 0.00 -10 7 19 -0.17 0.00 -9 8 19 0.11 0.00 3 9 19 0.04 0.00 -7 10 19 -0.42 0.00 -5 11 19 -0.32 0.00 -1 11 19 -0.29 0.00 0 11 19 0.09 0.00 5 1 20 0.44 0.00 5 2 20 -0.55 0.00 -10 4 20 -0.39 0.00 4 5 20 1.05 0.00 -9 6 20 -0.32 0.00 -6 9 20 -0.12 0.00 0 9 20 0.10 0.00 -3 10 20 -0.39 0.00 -9 2 21 -0.30 0.00 3 2 21 -0.01 0.00 -9 3 21 0.38 0.00 3 3 21 -0.57 0.00 -8 5 21 0.27 0.00 2 5 21 -0.66 0.00 -7 6 21 -0.38 0.00 1 6 21 0.54 0.00 -6 7 21 0.26 0.00 0 7 21 -0.11 0.00 -4 8 21 -0.38 0.00 -3 8 21 0.09 0.00 -2 8 21 -0.36 0.00 -7 1 22 -0.22 0.00 1 1 22 -0.56 0.00 -7 2 22 0.11 0.00 0 3 22 -0.51 0.00 -6 4 22 0.09 0.00 -1 4 22 0.57 0.00 -4 5 22 -0.20 0.00 -3 5 22 -0.01 0.00 -2 5 22 -0.50 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 120 41 ' ' 2 0.500 0.000 1.000 120 41 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 1 0 2.019 0 2 0 2.525 -1 0 1 1.778 1 0 1 2.139 -1 1 1 2.181 0 1 1 1.726 1 1 1 2.484 0 2 1 2.786 -2 0 2 3.558 0 0 2 2.356 -1 1 2 2.866 0 1 2 2.673 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL mo_molan50P 21/nk_0m_a R = 0.08 CELL 13.1666 16.1319 17.6152 90.00 100.98 90.00 SPGR P21/n # Solvent Accessible Volume = 241 # Electrons Found in S.A.V. = 81 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.941 0.461 0.454 ! 4.05 eA-3 C102 0.536 0.052 0.057 ! 3.09 eA-3 C103 0.501 0.074 0.007 ! 3.08 eA-3 Q104 0.661 0.277 0.448 ! 0.86 eA-3 ) ; _shelx_fab_checksum 69615 data_mo_molan508e_325k_0m_a_sq _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' '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' 'Fe' 'Fe' 0.3463 0.8444 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.2004(16) _cell_length_b 16.119(2) _cell_length_c 17.705(2) _cell_angle_alpha 90 _cell_angle_beta 100.793(5) _cell_angle_gamma 90 _cell_volume 3700.7(8) _cell_formula_units_Z 4 _cell_measurement_temperature 325(2) _cell_measurement_reflns_used 9985 _cell_measurement_theta_min 2.98 _cell_measurement_theta_max 27.10 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.283 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.453 _shelx_estimated_absorpt_T_min 0.766 _shelx_estimated_absorpt_T_max 0.965 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6571 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 325(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 50077 _diffrn_reflns_av_unetI/netI 0.0319 _diffrn_reflns_av_R_equivalents 0.0541 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.976 _diffrn_reflns_theta_max 27.143 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 8154 _reflns_number_gt 5398 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0497P)^2^+3.1263P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 8154 _refine_ls_number_parameters 537 _refine_ls_number_restraints 136 _refine_ls_R_factor_all 0.0860 _refine_ls_R_factor_gt 0.0469 _refine_ls_wR_factor_ref 0.1336 _refine_ls_wR_factor_gt 0.1065 _refine_ls_goodness_of_fit_ref 1.035 _refine_ls_restrained_S_all 1.031 _refine_ls_shift/su_max 0.110 _refine_ls_shift/su_mean 0.001 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 Fe1 Fe 0.66360(3) 0.27518(2) 0.45004(2) 0.03842(12) Uani 1 1 d . . . . . O1 O 1.22678(14) 0.25601(15) 0.25203(12) 0.0605(6) Uani 1 1 d . . . . . O2 O 0.10448(16) 0.25157(16) 0.65594(14) 0.0720(7) Uani 1 1 d . . . . . N1 N 0.71256(14) 0.33441(12) 0.37377(12) 0.0380(5) Uani 1 1 d . . . . . N2 N 0.79561(15) 0.31812(13) 0.34455(12) 0.0391(5) Uani 1 1 d . . . . . N3 N 0.86127(15) 0.20891(13) 0.43514(12) 0.0395(5) Uani 1 1 d . . . . . N4 N 0.77710(15) 0.20533(13) 0.46531(11) 0.0372(5) Uani 1 1 d . . . . . N5 N 0.55328(15) 0.20401(12) 0.44023(11) 0.0362(5) Uani 1 1 d . . . . . N6 N 0.47047(15) 0.20623(13) 0.47199(11) 0.0366(5) Uani 1 1 d . . . . . N7 N 0.52687(15) 0.32719(13) 0.54987(12) 0.0384(5) Uani 1 1 d . . . . . N8 N 0.60854(15) 0.34002(12) 0.51776(12) 0.0386(5) Uani 1 1 d D . . . . C1 C 0.65215(19) 0.39927(16) 0.33106(16) 0.0414(6) Uani 1 1 d . . . . . C2 C 0.5493(2) 0.4094(2) 0.33602(18) 0.0557(7) Uani 1 1 d . . . . . H2 H 0.518656 0.372932 0.365706 0.067 Uiso 1 1 calc R U . . . C3 C 0.4917(2) 0.4734(2) 0.2972(2) 0.0679(9) Uani 1 1 d . . . . . H3 H 0.423079 0.479766 0.301797 0.081 Uiso 1 1 calc R U . . . C4 C 0.5340(3) 0.5274(2) 0.2521(2) 0.0687(9) Uani 1 1 d . . . . . H4 H 0.495150 0.570579 0.226579 0.082 Uiso 1 1 calc R U . . . C5 C 0.6353(3) 0.5162(2) 0.2455(2) 0.0718(10) Uani 1 1 d . . . . . H5 H 0.664740 0.551598 0.214138 0.086 Uiso 1 1 calc R U . . . C6 C 0.6939(2) 0.45354(19) 0.28457(19) 0.0584(8) Uani 1 1 d . . . . . H6 H 0.762401 0.447586 0.279644 0.070 Uiso 1 1 calc R U . . . C7 C 0.86419(18) 0.26248(15) 0.37761(14) 0.0353(5) Uani 1 1 d . . . . . C8 C 0.96030(18) 0.25809(15) 0.34509(14) 0.0350(5) Uani 1 1 d . . . . . C9 C 0.95977(18) 0.27705(16) 0.26871(14) 0.0402(6) Uani 1 1 d . . . . . H9 H 0.898183 0.291724 0.236736 0.048 Uiso 1 1 calc R U . . . C10 C 1.04941(19) 0.27442(17) 0.23958(15) 0.0433(6) Uani 1 1 d . . . . . H10 H 1.047597 0.286796 0.188044 0.052 Uiso 1 1 calc R U . . . C11 C 1.14242(18) 0.25350(16) 0.28636(15) 0.0391(6) Uani 1 1 d . . . . . C12 C 1.14434(19) 0.23364(17) 0.36267(15) 0.0442(6) Uani 1 1 d . . . . . H12 H 1.206064 0.219096 0.394530 0.053 Uiso 1 1 calc R U . . . C13 C 1.0538(2) 0.23559(17) 0.39110(15) 0.0452(6) Uani 1 1 d . . . . . H13 H 1.055307 0.221538 0.442240 0.054 Uiso 1 1 calc R U . . . C14 C 1.3244(2) 0.2387(3) 0.2982(2) 0.0849(12) Uani 1 1 d . . . . . H14A H 1.376985 0.244051 0.267693 0.127 Uiso 1 1 calc R U . . . H14B H 1.324614 0.183131 0.317762 0.127 Uiso 1 1 calc R U . . . H14C H 1.337544 0.277112 0.340285 0.127 Uiso 1 1 calc R U . . . C15 C 0.78176(19) 0.13671(16) 0.51776(14) 0.0389(6) Uani 1 1 d . . . . . C16 C 0.8274(3) 0.06262(18) 0.50375(18) 0.0567(8) Uani 1 1 d . . . . . H16 H 0.856294 0.056604 0.460026 0.068 Uiso 1 1 calc R U . . . C17 C 0.8301(3) -0.0026(2) 0.5547(2) 0.0697(9) Uani 1 1 d . . . . . H17 H 0.861257 -0.052225 0.545215 0.084 Uiso 1 1 calc R U . . . C18 C 0.7871(3) 0.0052(2) 0.61944(19) 0.0643(9) Uani 1 1 d . . . . . H18 H 0.788863 -0.039042 0.653395 0.077 Uiso 1 1 calc R U . . . C19 C 0.7416(3) 0.0785(2) 0.63342(18) 0.0617(8) Uani 1 1 d . . . . . H19 H 0.712330 0.084074 0.676995 0.074 Uiso 1 1 calc R U . . . C20 C 0.7392(2) 0.14429(19) 0.58310(16) 0.0494(7) Uani 1 1 d . . . . . H20 H 0.708605 0.194035 0.593222 0.059 Uiso 1 1 calc R U . . . C21 C 0.55167(18) 0.13397(15) 0.38981(14) 0.0356(5) Uani 1 1 d . . . . . C22 C 0.5191(2) 0.05762(18) 0.41080(17) 0.0553(8) Uani 1 1 d . . . . . H22 H 0.495595 0.051580 0.456850 0.066 Uiso 1 1 calc R U . . . C23 C 0.5214(3) -0.00978(19) 0.3633(2) 0.0638(9) Uani 1 1 d . . . . . H23 H 0.501590 -0.061632 0.378390 0.077 Uiso 1 1 calc R U . . . C24 C 0.5525(2) -0.00144(19) 0.2937(2) 0.0607(8) Uani 1 1 d . . . . . H24 H 0.552770 -0.046984 0.261459 0.073 Uiso 1 1 calc R U . . . C25 C 0.5833(2) 0.0750(2) 0.27257(19) 0.0619(9) Uani 1 1 d . . . . . H25 H 0.604213 0.081241 0.225579 0.074 Uiso 1 1 calc R U . . . C26 C 0.5835(2) 0.14304(17) 0.32024(15) 0.0450(6) Uani 1 1 d . . . . . H26 H 0.604896 0.194564 0.305538 0.054 Uiso 1 1 calc R U . . . C27 C 0.46235(17) 0.26465(15) 0.52436(13) 0.0337(5) Uani 1 1 d . . . . . C28 C 0.36883(18) 0.25870(16) 0.55934(13) 0.0354(5) Uani 1 1 d . . . . . C29 C 0.3372(2) 0.32496(18) 0.59926(17) 0.0509(7) Uani 1 1 d . . . . . H29 H 0.376167 0.373416 0.605108 0.061 Uiso 1 1 calc R U . . . C30 C 0.2493(2) 0.3203(2) 0.63035(19) 0.0599(8) Uani 1 1 d . . . . . H30 H 0.229246 0.365750 0.656358 0.072 Uiso 1 1 calc R U . . . C31 C 0.1910(2) 0.24920(19) 0.62334(16) 0.0478(7) Uani 1 1 d . . . . . C32 C 0.2220(2) 0.18154(19) 0.58621(16) 0.0484(7) Uani 1 1 d . . . . . H32 H 0.184106 0.132564 0.582573 0.058 Uiso 1 1 calc R U . . . C33 C 0.3098(2) 0.18673(18) 0.55423(15) 0.0447(6) Uani 1 1 d . . . . . H33 H 0.329879 0.140914 0.528687 0.054 Uiso 1 1 calc R U . . . C34 C 0.0293(2) 0.1892(3) 0.6359(2) 0.0748(10) Uani 1 1 d . . . . . H34A H 0.009237 0.186590 0.580961 0.112 Uiso 1 1 calc R U . . . H34B H -0.029863 0.201822 0.658130 0.112 Uiso 1 1 calc R U . . . H34C H 0.057379 0.136635 0.654974 0.112 Uiso 1 1 calc R U . . . C35 C 0.6707(9) 0.4069(7) 0.5582(8) 0.034(5) Uani 0.308(3) 1 d DG U P A 1 C36 C 0.6603(9) 0.4872(9) 0.5291(7) 0.045(4) Uani 0.308(3) 1 d G . P A 1 H36 H 0.613092 0.498314 0.484280 0.054 Uiso 0.308(3) 1 calc R U P A 1 C37 C 0.7203(11) 0.5508(6) 0.5670(9) 0.045(4) Uani 0.308(3) 1 d G . P A 1 H37 H 0.713364 0.604498 0.547587 0.054 Uiso 0.308(3) 1 calc R U P A 1 C38 C 0.7908(11) 0.5341(8) 0.6340(9) 0.070(6) Uani 0.308(3) 1 d G U P A 1 H38 H 0.831039 0.576684 0.659417 0.084 Uiso 0.308(3) 1 calc R U P A 1 C39 C 0.8013(10) 0.4538(10) 0.6631(7) 0.057(5) Uani 0.308(3) 1 d G . P A 1 H39 H 0.848441 0.442686 0.707940 0.068 Uiso 0.308(3) 1 calc R U P A 1 C40 C 0.7412(10) 0.3902(7) 0.6252(8) 0.042(5) Uani 0.308(3) 1 d G . P A 1 H40 H 0.748169 0.336501 0.644633 0.050 Uiso 0.308(3) 1 calc R U P A 1 C35' C 0.6708(9) 0.4072(6) 0.5577(7) 0.040(4) Uani 0.351(3) 1 d DG U P A 2 C36' C 0.6892(9) 0.4796(7) 0.5198(6) 0.054(4) Uani 0.351(3) 1 d G . P A 2 H36' H 0.659320 0.486963 0.468344 0.065 Uiso 0.351(3) 1 calc R U P A 2 C37' C 0.7522(9) 0.5409(5) 0.5588(7) 0.063(4) Uani 0.351(3) 1 d G . P A 2 H37' H 0.764470 0.589388 0.533460 0.076 Uiso 0.351(3) 1 calc R U P A 2 C38' C 0.7968(9) 0.5299(7) 0.6357(8) 0.069(5) Uani 0.351(3) 1 d G . P A 2 H38' H 0.838966 0.570951 0.661806 0.083 Uiso 0.351(3) 1 calc R U P A 2 C39' C 0.7784(10) 0.4575(8) 0.6736(6) 0.056(3) Uani 0.351(3) 1 d G . P A 2 H39' H 0.808313 0.450088 0.725038 0.067 Uiso 0.351(3) 1 calc R U P A 2 C40' C 0.7155(9) 0.3961(6) 0.6346(7) 0.044(3) Uani 0.351(3) 1 d G . P A 2 H40' H 0.703163 0.347661 0.659923 0.053 Uiso 0.351(3) 1 calc R U P A 2 C35" C 0.6695(8) 0.4062(6) 0.5521(6) 0.047(4) Uani 0.342(3) 1 d DG U P A 3 C36" C 0.6322(7) 0.4868(7) 0.5415(7) 0.063(4) Uani 0.342(3) 1 d G . P A 3 H36" H 0.568903 0.496859 0.509746 0.076 Uiso 0.342(3) 1 calc R U P A 3 C37" C 0.6896(9) 0.5524(5) 0.5783(8) 0.068(4) Uani 0.342(3) 1 d G . P A 3 H37" H 0.664612 0.606366 0.571244 0.081 Uiso 0.342(3) 1 calc R U P A 3 C38" C 0.7842(9) 0.5374(6) 0.6258(8) 0.077(6) Uani 0.342(3) 1 d G . P A 3 H38" H 0.822587 0.581306 0.650427 0.092 Uiso 0.342(3) 1 calc R U P A 3 C39" C 0.8215(7) 0.4568(7) 0.6364(7) 0.099(6) Uani 0.342(3) 1 d G . P A 3 H39" H 0.884855 0.446739 0.668112 0.118 Uiso 0.342(3) 1 calc R U P A 3 C40" C 0.7642(8) 0.3912(5) 0.5995(6) 0.065(4) Uani 0.342(3) 1 d G . P A 3 H40" H 0.789148 0.337231 0.606615 0.078 Uiso 0.342(3) 1 calc R U P A 3 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 Fe1 0.03133(18) 0.0430(2) 0.0447(2) -0.00224(17) 0.01687(15) -0.00290(16) O1 0.0370(10) 0.0936(16) 0.0557(12) 0.0106(11) 0.0214(9) 0.0059(10) O2 0.0425(11) 0.0974(18) 0.0856(16) -0.0217(14) 0.0367(11) -0.0110(11) N1 0.0279(10) 0.0353(11) 0.0521(13) -0.0027(9) 0.0109(9) -0.0024(8) N2 0.0332(10) 0.0403(12) 0.0461(12) -0.0010(9) 0.0132(9) -0.0004(9) N3 0.0320(10) 0.0440(12) 0.0447(12) 0.0018(10) 0.0134(9) -0.0001(9) N4 0.0387(11) 0.0393(12) 0.0358(11) 0.0002(9) 0.0132(9) -0.0052(9) N5 0.0374(11) 0.0369(11) 0.0381(11) -0.0008(9) 0.0170(9) -0.0014(9) N6 0.0324(10) 0.0437(12) 0.0366(11) -0.0014(9) 0.0138(8) -0.0033(9) N7 0.0323(10) 0.0428(12) 0.0425(11) -0.0034(9) 0.0130(9) -0.0031(9) N8 0.0325(10) 0.0392(11) 0.0456(12) -0.0010(9) 0.0108(9) -0.0039(9) C1 0.0350(13) 0.0353(13) 0.0525(15) -0.0065(12) 0.0043(11) 0.0004(10) C2 0.0380(14) 0.066(2) 0.0631(19) 0.0036(15) 0.0087(13) 0.0053(14) C3 0.0448(17) 0.080(2) 0.077(2) -0.0002(19) 0.0062(16) 0.0185(16) C4 0.060(2) 0.0485(18) 0.091(3) 0.0038(18) -0.0031(18) 0.0159(15) C5 0.064(2) 0.0523(19) 0.095(3) 0.0190(18) 0.0050(19) -0.0021(16) C6 0.0408(15) 0.0487(17) 0.085(2) 0.0105(16) 0.0098(15) -0.0031(13) C7 0.0303(11) 0.0404(14) 0.0357(12) -0.0004(10) 0.0076(10) -0.0027(10) C8 0.0326(12) 0.0357(13) 0.0384(13) 0.0012(10) 0.0108(10) -0.0004(10) C9 0.0306(12) 0.0480(15) 0.0413(14) 0.0022(12) 0.0053(10) 0.0031(11) C10 0.0421(14) 0.0550(16) 0.0350(13) 0.0029(12) 0.0129(11) 0.0022(12) C11 0.0303(12) 0.0421(14) 0.0474(15) -0.0005(11) 0.0137(11) -0.0016(10) C12 0.0327(12) 0.0540(17) 0.0453(15) 0.0087(13) 0.0057(11) 0.0042(11) C13 0.0400(14) 0.0571(17) 0.0395(14) 0.0123(12) 0.0105(11) 0.0056(12) C14 0.0323(15) 0.139(4) 0.087(3) 0.018(2) 0.0188(16) 0.0092(19) C15 0.0385(13) 0.0400(14) 0.0384(13) 0.0012(11) 0.0080(11) -0.0058(11) C16 0.078(2) 0.0448(17) 0.0530(17) 0.0008(14) 0.0260(16) 0.0008(15) C17 0.095(3) 0.0422(17) 0.074(2) 0.0035(16) 0.022(2) 0.0065(17) C18 0.083(2) 0.0501(19) 0.060(2) 0.0179(15) 0.0162(17) -0.0083(17) C19 0.070(2) 0.069(2) 0.0518(18) 0.0138(16) 0.0244(16) -0.0036(17) C20 0.0511(16) 0.0515(17) 0.0488(16) 0.0051(13) 0.0175(13) 0.0023(13) C21 0.0329(12) 0.0372(13) 0.0380(13) -0.0020(10) 0.0100(10) -0.0015(10) C22 0.076(2) 0.0431(16) 0.0532(17) 0.0005(13) 0.0272(15) -0.0069(14) C23 0.080(2) 0.0349(16) 0.080(2) 0.0015(15) 0.0245(19) -0.0056(15) C24 0.0606(19) 0.0444(17) 0.083(2) -0.0249(16) 0.0284(17) -0.0053(14) C25 0.069(2) 0.064(2) 0.0627(19) -0.0195(16) 0.0380(17) -0.0124(16) C26 0.0492(15) 0.0432(15) 0.0485(15) -0.0051(12) 0.0242(12) -0.0101(12) C27 0.0308(11) 0.0416(14) 0.0289(11) 0.0015(10) 0.0060(9) 0.0009(10) C28 0.0312(11) 0.0430(14) 0.0326(12) 0.0000(10) 0.0071(10) -0.0006(10) C29 0.0426(14) 0.0474(16) 0.0685(19) -0.0115(14) 0.0249(14) -0.0057(12) C30 0.0496(17) 0.0591(19) 0.078(2) -0.0201(16) 0.0298(16) -0.0007(14) C31 0.0327(13) 0.0662(18) 0.0477(15) -0.0059(13) 0.0159(12) -0.0024(12) C32 0.0400(14) 0.0560(17) 0.0523(16) -0.0049(13) 0.0167(12) -0.0127(12) C33 0.0424(14) 0.0473(15) 0.0473(15) -0.0073(12) 0.0161(12) -0.0051(12) C34 0.0392(16) 0.115(3) 0.074(2) -0.003(2) 0.0204(16) -0.0183(18) C35 0.029(6) 0.031(5) 0.044(6) -0.006(4) 0.012(3) -0.007(4) C36 0.057(9) 0.034(5) 0.049(6) -0.005(4) 0.025(6) 0.005(4) C37 0.055(8) 0.027(5) 0.061(6) -0.007(4) 0.033(6) 0.003(4) C38 0.071(7) 0.068(7) 0.072(7) -0.003(4) 0.014(4) -0.007(4) C39 0.044(8) 0.070(7) 0.054(7) -0.003(5) 0.002(6) -0.015(5) C40 0.022(7) 0.052(6) 0.054(7) 0.004(5) 0.014(5) -0.007(5) C35' 0.036(6) 0.038(5) 0.049(5) -0.006(4) 0.010(3) -0.005(4) C36' 0.067(8) 0.047(5) 0.050(5) -0.002(4) 0.012(5) -0.007(5) C37' 0.074(9) 0.041(5) 0.077(6) -0.013(5) 0.020(6) -0.008(5) C38' 0.077(10) 0.052(7) 0.076(7) -0.031(6) 0.008(6) -0.029(6) C39' 0.045(6) 0.058(5) 0.064(6) -0.020(4) 0.012(5) -0.005(4) C40' 0.033(7) 0.047(5) 0.051(5) -0.005(4) 0.009(4) -0.001(4) C35" 0.044(5) 0.047(5) 0.053(5) -0.002(4) 0.018(4) -0.004(4) C36" 0.063(7) 0.052(5) 0.076(8) -0.009(4) 0.017(6) 0.006(4) C37" 0.081(8) 0.049(5) 0.082(8) -0.014(5) 0.037(7) -0.005(5) C38" 0.080(9) 0.049(6) 0.102(12) -0.016(8) 0.018(7) -0.037(6) C39" 0.080(9) 0.064(6) 0.133(14) -0.015(7) -0.028(9) -0.021(5) C40" 0.056(6) 0.040(5) 0.093(9) -0.005(5) -0.004(6) -0.009(4) _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 Fe1 N5 1.836(2) . ? Fe1 N8 1.840(2) . ? Fe1 N4 1.853(2) . ? Fe1 N1 1.865(2) . ? O1 C11 1.365(3) . ? O1 C14 1.418(4) . ? O2 C31 1.374(3) . ? O2 C34 1.411(4) . ? N1 N2 1.323(3) . ? N1 C1 1.440(3) . ? N2 C7 1.330(3) . ? N3 N4 1.321(3) . ? N3 C7 1.341(3) . ? N4 C15 1.438(3) . ? N5 N6 1.320(3) . ? N5 C21 1.437(3) . ? N6 C27 1.340(3) . ? N7 N8 1.326(3) . ? N7 C27 1.342(3) . ? N8 C35" 1.404(7) . ? N8 C35 1.458(8) . ? N8 C35' 1.459(7) . ? C1 C6 1.384(4) . ? C1 C2 1.387(4) . ? C2 C3 1.385(4) . ? C3 C4 1.368(5) . ? C4 C5 1.377(5) . ? C5 C6 1.377(4) . ? C7 C8 1.490(3) . ? C8 C9 1.385(3) . ? C8 C13 1.394(3) . ? C9 C10 1.377(3) . ? C10 C11 1.388(4) . ? C11 C12 1.384(4) . ? C12 C13 1.381(3) . ? C15 C16 1.381(4) . ? C15 C20 1.383(3) . ? C16 C17 1.381(4) . ? C17 C18 1.376(4) . ? C18 C19 1.369(5) . ? C19 C20 1.381(4) . ? C21 C22 1.378(4) . ? C21 C26 1.382(3) . ? C22 C23 1.378(4) . ? C23 C24 1.377(4) . ? C24 C25 1.371(4) . ? C25 C26 1.383(4) . ? C27 C28 1.484(3) . ? C28 C29 1.387(4) . ? C28 C33 1.391(4) . ? C29 C30 1.376(4) . ? C30 C31 1.373(4) . ? C31 C32 1.374(4) . ? C32 C33 1.385(3) . ? C35 C36 1.3900 . ? C35 C40 1.3900 . ? C36 C37 1.3900 . ? C37 C38 1.3900 . ? C38 C39 1.3900 . ? C39 C40 1.3900 . ? C35' C36' 1.3900 . ? C35' C40' 1.3900 . ? C36' C37' 1.3900 . ? C37' C38' 1.3900 . ? C38' C39' 1.3900 . ? C39' C40' 1.3900 . ? C35" C36" 1.3900 . ? C35" C40" 1.3900 . ? C36" C37" 1.3900 . ? C37" C38" 1.3900 . ? C38" C39" 1.3900 . ? C39" C40" 1.3900 . ? 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 N5 Fe1 N8 90.78(8) . . ? N5 Fe1 N4 103.85(9) . . ? N8 Fe1 N4 131.10(9) . . ? N5 Fe1 N1 128.86(9) . . ? N8 Fe1 N1 114.43(9) . . ? N4 Fe1 N1 92.09(8) . . ? C11 O1 C14 117.8(2) . . ? C31 O2 C34 118.4(2) . . ? N2 N1 C1 110.9(2) . . ? N2 N1 Fe1 127.31(17) . . ? C1 N1 Fe1 121.25(16) . . ? N1 N2 C7 120.5(2) . . ? N4 N3 C7 118.8(2) . . ? N3 N4 C15 110.9(2) . . ? N3 N4 Fe1 129.25(16) . . ? C15 N4 Fe1 119.81(15) . . ? N6 N5 C21 111.65(19) . . ? N6 N5 Fe1 130.39(16) . . ? C21 N5 Fe1 117.95(15) . . ? N5 N6 C27 119.6(2) . . ? N8 N7 C27 119.3(2) . . ? N7 N8 C35" 112.3(5) . . ? N7 N8 C35 109.4(6) . . ? N7 N8 C35' 109.7(6) . . ? N7 N8 Fe1 130.01(16) . . ? C35" N8 Fe1 116.7(5) . . ? C35 N8 Fe1 119.0(6) . . ? C35' N8 Fe1 118.8(6) . . ? C6 C1 C2 117.8(3) . . ? C6 C1 N1 121.9(2) . . ? C2 C1 N1 120.3(2) . . ? C3 C2 C1 120.6(3) . . ? C4 C3 C2 121.1(3) . . ? C3 C4 C5 118.4(3) . . ? C4 C5 C6 121.1(3) . . ? C5 C6 C1 120.9(3) . . ? N2 C7 N3 130.9(2) . . ? N2 C7 C8 114.9(2) . . ? N3 C7 C8 114.2(2) . . ? C9 C8 C13 118.0(2) . . ? C9 C8 C7 121.2(2) . . ? C13 C8 C7 120.8(2) . . ? C10 C9 C8 120.7(2) . . ? C9 C10 C11 120.7(2) . . ? O1 C11 C12 125.0(2) . . ? O1 C11 C10 115.6(2) . . ? C12 C11 C10 119.4(2) . . ? C13 C12 C11 119.4(2) . . ? C12 C13 C8 121.7(2) . . ? C16 C15 C20 119.1(3) . . ? C16 C15 N4 121.1(2) . . ? C20 C15 N4 119.8(2) . . ? C15 C16 C17 119.9(3) . . ? C18 C17 C16 120.7(3) . . ? C19 C18 C17 119.5(3) . . ? C18 C19 C20 120.3(3) . . ? C19 C20 C15 120.5(3) . . ? C22 C21 C26 119.8(2) . . ? C22 C21 N5 120.2(2) . . ? C26 C21 N5 119.9(2) . . ? C21 C22 C23 119.7(3) . . ? C24 C23 C22 120.9(3) . . ? C25 C24 C23 119.0(3) . . ? C24 C25 C26 120.9(3) . . ? C21 C26 C25 119.6(3) . . ? N6 C27 N7 129.3(2) . . ? N6 C27 C28 115.1(2) . . ? N7 C27 C28 115.7(2) . . ? C29 C28 C33 117.2(2) . . ? C29 C28 C27 121.0(2) . . ? C33 C28 C27 121.7(2) . . ? C30 C29 C28 121.2(3) . . ? C31 C30 C29 120.6(3) . . ? C30 C31 O2 115.8(3) . . ? C30 C31 C32 119.6(2) . . ? O2 C31 C32 124.6(3) . . ? C31 C32 C33 119.6(3) . . ? C32 C33 C28 121.7(3) . . ? C36 C35 C40 120.0 . . ? C36 C35 N8 119.9(10) . . ? C40 C35 N8 120.1(10) . . ? C35 C36 C37 120.0 . . ? C38 C37 C36 120.0 . . ? C37 C38 C39 120.0 . . ? C38 C39 C40 120.0 . . ? C39 C40 C35 120.0 . . ? C36' C35' C40' 120.0 . . ? C36' C35' N8 121.5(8) . . ? C40' C35' N8 118.5(8) . . ? C37' C36' C35' 120.0 . . ? C36' C37' C38' 120.0 . . ? C39' C38' C37' 120.0 . . ? C38' C39' C40' 120.0 . . ? C39' C40' C35' 120.0 . . ? C36" C35" C40" 120.0 . . ? C36" C35" N8 119.5(8) . . ? C40" C35" N8 120.5(8) . . ? C35" C36" C37" 120.0 . . ? C38" C37" C36" 120.0 . . ? C39" C38" C37" 120.0 . . ? C38" C39" C40" 120.0 . . ? C39" C40" C35" 120.0 . . ? _refine_diff_density_max 0.256 _refine_diff_density_min -0.350 _refine_diff_density_rms 0.059 _shelx_res_file ; TITL mo_molan508e_325K_0m_a.res in P2(1)/n mo_molan508e_325k_0m_a_sq.res created by SHELXL-2018/1 at 13:24:18 on 22-Oct-2018 REM Old TITL mo_molan508e_325K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.185, Rweak 0.004, Alpha 0.040, Orientation as input REM Formula found by SHELXT: C41 N9 O2 Fe CELL 0.71073 13.2004 16.1193 17.7054 90.000 100.793 90.000 ZERR 4.000 0.0016 0.0022 0.0023 0.000 0.005 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C N O FE H UNIT 160 32 8 4 136 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP 51.970 SIZE 0.080 0.360 0.620 L.S. 5 0 23 dfix 1.44 0.01 N8 C35 N8 C35' N8 C35" rigu 0.002 C35 > C40 rigu 0.002 C35' > C40' rigu 0.002 C35" > C40" sump 1 0.0001 1 2 1 3 1 4 isor 0.005 C38 c35 C35' C35" PLAN 5 ACTA ABIN WGHT 0.049700 3.126300 FVAR 0.20826 0.30775 0.35069 0.34157 FE1 4 0.663603 0.275176 0.450043 11.00000 0.03133 0.04302 = 0.04468 -0.00224 0.01687 -0.00290 O1 3 1.226778 0.256013 0.252029 11.00000 0.03701 0.09362 = 0.05568 0.01064 0.02138 0.00593 O2 3 0.104483 0.251567 0.655944 11.00000 0.04252 0.09739 = 0.08556 -0.02175 0.03675 -0.01096 N1 2 0.712556 0.334411 0.373775 11.00000 0.02790 0.03532 = 0.05207 -0.00274 0.01090 -0.00239 N2 2 0.795613 0.318117 0.344555 11.00000 0.03319 0.04029 = 0.04609 -0.00095 0.01320 -0.00040 N3 2 0.861275 0.208905 0.435137 11.00000 0.03202 0.04404 = 0.04475 0.00185 0.01341 -0.00007 N4 2 0.777105 0.205328 0.465313 11.00000 0.03874 0.03931 = 0.03583 0.00019 0.01319 -0.00524 N5 2 0.553280 0.204005 0.440229 11.00000 0.03738 0.03691 = 0.03811 -0.00085 0.01700 -0.00141 N6 2 0.470470 0.206233 0.471990 11.00000 0.03238 0.04366 = 0.03655 -0.00144 0.01380 -0.00329 N7 2 0.526870 0.327186 0.549865 11.00000 0.03230 0.04280 = 0.04247 -0.00344 0.01297 -0.00315 N8 2 0.608543 0.340025 0.517764 11.00000 0.03252 0.03919 = 0.04561 -0.00098 0.01082 -0.00388 C1 1 0.652151 0.399269 0.331063 11.00000 0.03502 0.03527 = 0.05255 -0.00648 0.00434 0.00043 C2 1 0.549264 0.409420 0.336023 11.00000 0.03803 0.06561 = 0.06308 0.00360 0.00869 0.00534 AFIX 43 H2 5 0.518656 0.372932 0.365706 11.00000 -1.20000 AFIX 0 C3 1 0.491675 0.473398 0.297174 11.00000 0.04482 0.07994 = 0.07698 -0.00022 0.00625 0.01854 AFIX 43 H3 5 0.423079 0.479766 0.301797 11.00000 -1.20000 AFIX 0 C4 1 0.533955 0.527384 0.252119 11.00000 0.06044 0.04853 = 0.09055 0.00379 -0.00308 0.01586 AFIX 43 H4 5 0.495150 0.570579 0.226579 11.00000 -1.20000 AFIX 0 C5 1 0.635322 0.516230 0.245499 11.00000 0.06428 0.05226 = 0.09498 0.01903 0.00499 -0.00213 AFIX 43 H5 5 0.664740 0.551598 0.214138 11.00000 -1.20000 AFIX 0 C6 1 0.693863 0.453540 0.284569 11.00000 0.04077 0.04870 = 0.08500 0.01054 0.00984 -0.00314 AFIX 43 H6 5 0.762401 0.447586 0.279644 11.00000 -1.20000 AFIX 0 C7 1 0.864195 0.262482 0.377612 11.00000 0.03032 0.04044 = 0.03567 -0.00041 0.00759 -0.00273 C8 1 0.960296 0.258094 0.345090 11.00000 0.03257 0.03571 = 0.03840 0.00121 0.01084 -0.00039 C9 1 0.959768 0.277054 0.268708 11.00000 0.03065 0.04801 = 0.04131 0.00217 0.00532 0.00306 AFIX 43 H9 5 0.898183 0.291724 0.236736 11.00000 -1.20000 AFIX 0 C10 1 1.049407 0.274424 0.239585 11.00000 0.04206 0.05501 = 0.03503 0.00287 0.01289 0.00224 AFIX 43 H10 5 1.047597 0.286796 0.188044 11.00000 -1.20000 AFIX 0 C11 1 1.142424 0.253502 0.286355 11.00000 0.03029 0.04212 = 0.04735 -0.00051 0.01371 -0.00165 C12 1 1.144340 0.233637 0.362668 11.00000 0.03273 0.05403 = 0.04531 0.00868 0.00574 0.00421 AFIX 43 H12 5 1.206064 0.219096 0.394530 11.00000 -1.20000 AFIX 0 C13 1 1.053820 0.235592 0.391100 11.00000 0.04005 0.05706 = 0.03955 0.01226 0.01048 0.00562 AFIX 43 H13 5 1.055307 0.221538 0.442240 11.00000 -1.20000 AFIX 0 C14 1 1.324359 0.238677 0.298168 11.00000 0.03232 0.13871 = 0.08665 0.01794 0.01880 0.00917 AFIX 137 H14A 5 1.376985 0.244051 0.267693 11.00000 -1.50000 H14B 5 1.324614 0.183131 0.317762 11.00000 -1.50000 H14C 5 1.337544 0.277112 0.340285 11.00000 -1.50000 AFIX 0 C15 1 0.781758 0.136707 0.517763 11.00000 0.03849 0.04003 = 0.03841 0.00117 0.00802 -0.00584 C16 1 0.827388 0.062615 0.503749 11.00000 0.07765 0.04478 = 0.05304 0.00084 0.02599 0.00082 AFIX 43 H16 5 0.856294 0.056604 0.460026 11.00000 -1.20000 AFIX 0 C17 1 0.830060 -0.002557 0.554726 11.00000 0.09543 0.04218 = 0.07390 0.00347 0.02191 0.00652 AFIX 43 H17 5 0.861257 -0.052225 0.545215 11.00000 -1.20000 AFIX 0 C18 1 0.787067 0.005186 0.619440 11.00000 0.08344 0.05008 = 0.06032 0.01791 0.01619 -0.00828 AFIX 43 H18 5 0.788863 -0.039042 0.653395 11.00000 -1.20000 AFIX 0 C19 1 0.741647 0.078510 0.633419 11.00000 0.06951 0.06876 = 0.05176 0.01381 0.02443 -0.00361 AFIX 43 H19 5 0.712330 0.084074 0.676995 11.00000 -1.20000 AFIX 0 C20 1 0.739155 0.144287 0.583096 11.00000 0.05115 0.05153 = 0.04882 0.00513 0.01754 0.00229 AFIX 43 H20 5 0.708605 0.194035 0.593222 11.00000 -1.20000 AFIX 0 C21 1 0.551674 0.133973 0.389808 11.00000 0.03291 0.03724 = 0.03802 -0.00200 0.01001 -0.00150 C22 1 0.519064 0.057617 0.410798 11.00000 0.07558 0.04306 = 0.05318 0.00046 0.02717 -0.00687 AFIX 43 H22 5 0.495595 0.051580 0.456850 11.00000 -1.20000 AFIX 0 C23 1 0.521373 -0.009779 0.363250 11.00000 0.08012 0.03491 = 0.07997 0.00155 0.02454 -0.00555 AFIX 43 H23 5 0.501590 -0.061632 0.378390 11.00000 -1.20000 AFIX 0 C24 1 0.552544 -0.001437 0.293669 11.00000 0.06057 0.04438 = 0.08293 -0.02490 0.02842 -0.00531 AFIX 43 H24 5 0.552770 -0.046984 0.261459 11.00000 -1.20000 AFIX 0 C25 1 0.583253 0.075023 0.272566 11.00000 0.06888 0.06415 = 0.06269 -0.01955 0.03800 -0.01242 AFIX 43 H25 5 0.604213 0.081241 0.225579 11.00000 -1.20000 AFIX 0 C26 1 0.583473 0.143044 0.320235 11.00000 0.04925 0.04317 = 0.04855 -0.00515 0.02422 -0.01006 AFIX 43 H26 5 0.604896 0.194564 0.305538 11.00000 -1.20000 AFIX 0 C27 1 0.462353 0.264647 0.524363 11.00000 0.03084 0.04164 = 0.02892 0.00148 0.00603 0.00091 C28 1 0.368830 0.258696 0.559341 11.00000 0.03122 0.04295 = 0.03257 -0.00001 0.00705 -0.00060 C29 1 0.337238 0.324961 0.599255 11.00000 0.04256 0.04738 = 0.06845 -0.01146 0.02490 -0.00566 AFIX 43 H29 5 0.376167 0.373416 0.605108 11.00000 -1.20000 AFIX 0 C30 1 0.249346 0.320304 0.630347 11.00000 0.04956 0.05915 = 0.07792 -0.02015 0.02984 -0.00067 AFIX 43 H30 5 0.229246 0.365750 0.656358 11.00000 -1.20000 AFIX 0 C31 1 0.191042 0.249203 0.623335 11.00000 0.03272 0.06621 = 0.04771 -0.00590 0.01587 -0.00241 C32 1 0.221951 0.181540 0.586208 11.00000 0.04002 0.05604 = 0.05226 -0.00494 0.01672 -0.01275 AFIX 43 H32 5 0.184106 0.132564 0.582573 11.00000 -1.20000 AFIX 0 C33 1 0.309827 0.186733 0.554230 11.00000 0.04240 0.04732 = 0.04731 -0.00725 0.01609 -0.00506 AFIX 43 H33 5 0.329879 0.140914 0.528687 11.00000 -1.20000 AFIX 0 C34 1 0.029303 0.189168 0.635901 11.00000 0.03917 0.11528 = 0.07364 -0.00307 0.02043 -0.01827 AFIX 137 H34A 5 0.009237 0.186590 0.580961 11.00000 -1.50000 H34B 5 -0.029863 0.201822 0.658130 11.00000 -1.50000 H34C 5 0.057379 0.136635 0.654974 11.00000 -1.50000 AFIX 66 PART 1 21.00 C35 1 0.670688 0.406880 0.558179 21.00000 0.02923 0.03125 = 0.04426 -0.00569 0.01247 -0.00725 C36 1 0.660263 0.487164 0.529108 21.00000 0.05660 0.03442 = 0.04947 -0.00508 0.02474 0.00516 AFIX 43 H36 5 0.613092 0.498314 0.484280 21.00000 -1.20000 AFIX 65 C37 1 0.720340 0.550783 0.567038 21.00000 0.05506 0.02719 = 0.06119 -0.00680 0.03281 0.00349 AFIX 43 H37 5 0.713364 0.604498 0.547587 21.00000 -1.20000 AFIX 65 C38 1 0.790843 0.534118 0.634039 21.00000 0.07112 0.06765 = 0.07201 -0.00301 0.01378 -0.00724 AFIX 43 H38 5 0.831039 0.576684 0.659417 21.00000 -1.20000 AFIX 65 C39 1 0.801270 0.453835 0.663111 21.00000 0.04389 0.06981 = 0.05404 -0.00270 0.00244 -0.01494 AFIX 43 H39 5 0.848441 0.442686 0.707940 21.00000 -1.20000 AFIX 65 C40 1 0.741193 0.390216 0.625182 21.00000 0.02226 0.05232 = 0.05374 0.00439 0.01385 -0.00698 AFIX 43 H40 5 0.748169 0.336501 0.644633 21.00000 -1.20000 AFIX 66 PART 2 31.000 C35' 1 0.670816 0.407157 0.557677 31.00000 0.03565 0.03786 = 0.04872 -0.00580 0.00988 -0.00536 C36' 1 0.689183 0.479571 0.519793 31.00000 0.06682 0.04660 = 0.04984 -0.00153 0.01209 -0.00653 AFIX 43 H36' 5 0.659320 0.486963 0.468344 31.00000 -1.20000 AFIX 65 C37' 1 0.752182 0.540938 0.558807 31.00000 0.07358 0.04068 = 0.07683 -0.01304 0.01979 -0.00776 AFIX 43 H37' 5 0.764470 0.589388 0.533460 31.00000 -1.20000 AFIX 65 C38' 1 0.796816 0.529892 0.635704 31.00000 0.07738 0.05154 = 0.07555 -0.03062 0.00788 -0.02888 AFIX 43 H38' 5 0.838966 0.570951 0.661806 31.00000 -1.20000 AFIX 65 C39' 1 0.778450 0.457478 0.673588 31.00000 0.04475 0.05825 = 0.06441 -0.01966 0.01167 -0.00513 AFIX 43 H39' 5 0.808313 0.450088 0.725038 31.00000 -1.20000 AFIX 65 C40' 1 0.715451 0.396111 0.634576 31.00000 0.03337 0.04719 = 0.05138 -0.00490 0.00918 -0.00059 AFIX 43 H40' 5 0.703163 0.347661 0.659923 31.00000 -1.20000 AFIX 66 PART 3 41.000 C35" 1 0.669536 0.406189 0.552083 41.00000 0.04444 0.04741 = 0.05251 -0.00164 0.01766 -0.00372 C36" 1 0.632230 0.486813 0.541488 41.00000 0.06309 0.05167 = 0.07596 -0.00930 0.01728 0.00613 AFIX 43 H36" 5 0.568903 0.496859 0.509746 41.00000 -1.20000 AFIX 65 C37" 1 0.689573 0.552423 0.578334 41.00000 0.08090 0.04851 = 0.08250 -0.01357 0.03694 -0.00519 AFIX 43 H37" 5 0.664612 0.606366 0.571244 41.00000 -1.20000 AFIX 65 C38" 1 0.784222 0.537409 0.625775 41.00000 0.07968 0.04862 = 0.10216 -0.01559 0.01753 -0.03655 AFIX 43 H38" 5 0.822587 0.581306 0.650427 41.00000 -1.20000 AFIX 65 C39" 1 0.821529 0.456785 0.636371 41.00000 0.07980 0.06442 = 0.13298 -0.01519 -0.02800 -0.02095 AFIX 43 H39" 5 0.884855 0.446739 0.668112 41.00000 -1.20000 AFIX 65 C40" 1 0.764187 0.391174 0.599525 41.00000 0.05565 0.03978 = 0.09337 -0.00466 -0.00390 -0.00933 AFIX 43 H40" 5 0.789148 0.337231 0.606615 41.00000 -1.20000 part 0 AFIX 0 HKLF 4 REM mo_molan508e_325K_0m_a.res in P2(1)/n REM R1 = 0.0469 for 5398 Fo > 4sig(Fo) and 0.0860 for all 8154 data REM 537 parameters refined using 136 restraints END WGHT 0.0497 3.1265 REM Highest difference peak 0.256, deepest hole -0.350, 1-sigma level 0.059 Q1 1 0.6296 0.4198 0.4298 11.00000 0.05 0.26 Q2 1 0.7795 0.3420 0.4608 11.00000 0.05 0.26 Q3 1 0.5981 0.3999 0.3180 11.00000 0.05 0.23 Q4 1 0.7941 0.3203 0.5657 11.00000 0.05 0.23 Q5 1 0.0096 0.2812 0.6496 11.00000 0.05 0.22 ; _shelx_res_checksum 91360 _shelx_hkl_file ; -2 0 0 266.17 4.50 2 0 0 266.27 4.50 2 0 0 260.27 4.50 -2 0 0 255.47 4.50 3 0 0 -0.50 0.20 -3 0 0 -0.60 0.20 3 0 0 -0.60 0.20 -4 0 0 343.57 6.00 4 0 0 340.17 5.90 4 0 0 350.76 5.90 -4 0 0 347.27 6.00 -5 0 0 -0.30 0.30 5 0 0 -0.30 0.30 5 0 0 -0.20 0.30 -5 0 0 -0.20 0.30 6 0 0 509.85 8.50 -6 0 0 493.35 8.70 6 0 0 483.45 8.50 -6 0 0 495.65 8.60 -7 0 0 0.60 0.40 7 0 0 0.00 0.40 7 0 0 0.20 0.40 8 0 0 73.19 1.80 8 0 0 71.79 1.80 -8 0 0 74.49 2.10 -8 0 0 71.39 2.10 9 0 0 0.20 0.50 9 0 0 0.20 0.50 -9 0 0 -0.20 0.60 -9 0 0 -0.50 0.60 -10 0 0 194.18 4.30 10 0 0 188.38 3.70 10 0 0 184.78 3.70 -10 0 0 192.18 4.40 -11 0 0 0.40 0.80 -11 0 0 1.00 0.90 11 0 0 0.20 0.50 11 0 0 0.20 0.50 12 0 0 10.30 0.90 -12 0 0 10.20 1.30 12 0 0 12.20 0.80 -12 0 0 12.20 1.30 -13 0 0 -0.30 1.30 -14 0 0 3.60 1.30 -14 0 0 3.90 1.40 -15 0 0 -2.90 1.40 -15 0 0 -1.80 1.40 -16 0 0 24.60 3.40 -16 0 0 33.70 3.60 -2 -1 0 853.51 14.30 2 -1 0 766.72 14.50 -2 -1 0 850.91 14.30 2 -1 0 872.41 14.10 -2 1 0 876.61 14.40 2 1 0 834.62 14.20 -2 1 0 835.12 14.30 2 1 0 884.81 14.30 3 -1 0 1295.87 21.50 -3 -1 0 1319.17 21.80 3 -1 0 1326.87 21.70 -3 -1 0 1269.77 21.80 -3 1 0 1285.57 21.40 3 1 0 1264.27 21.40 -3 1 0 1302.07 21.80 3 1 0 1240.68 21.20 4 -1 0 5.90 0.40 -4 -1 0 6.60 0.60 4 -1 0 6.50 0.50 -4 -1 0 6.70 0.60 4 1 0 7.20 0.60 4 1 0 7.40 0.60 -4 1 0 6.10 0.50 -4 1 0 7.30 0.50 -5 -1 0 91.19 2.10 -5 -1 0 91.69 2.10 5 -1 0 94.69 1.90 5 -1 0 90.79 1.80 5 1 0 92.19 2.00 -5 1 0 91.79 2.00 5 1 0 89.49 2.00 -5 1 0 93.79 2.00 6 -1 0 21.30 0.80 -6 -1 0 22.30 1.00 6 -1 0 21.20 0.80 -6 -1 0 23.00 1.10 -6 1 0 22.40 1.00 6 1 0 23.00 1.00 -6 1 0 22.20 1.00 6 1 0 20.20 1.00 -7 -1 0 101.59 2.40 7 -1 0 104.69 2.10 7 -1 0 102.99 2.10 -7 -1 0 101.09 2.50 7 1 0 99.29 2.30 -7 1 0 102.79 2.40 7 1 0 105.89 2.30 -7 1 0 104.39 2.40 8 -1 0 2.50 0.40 -8 -1 0 3.30 0.70 -8 -1 0 3.10 0.60 8 -1 0 2.60 0.40 -8 1 0 2.50 0.60 -8 1 0 1.70 0.50 8 1 0 3.00 0.60 8 1 0 2.20 0.50 9 -1 0 0.20 0.40 -9 -1 0 0.10 0.60 9 -1 0 0.40 0.40 -9 -1 0 0.00 0.60 -9 1 0 0.00 0.60 9 1 0 0.60 0.50 9 1 0 0.80 0.50 -9 1 0 -0.40 0.60 -10 -1 0 43.90 2.10 10 -1 0 43.50 1.30 10 -1 0 45.50 1.30 -10 -1 0 42.40 2.00 10 1 0 39.90 1.60 -10 1 0 43.60 2.00 10 1 0 42.40 1.60 -10 1 0 44.10 2.00 -11 -1 0 0.40 0.90 11 -1 0 0.30 0.40 11 -1 0 0.30 0.40 -11 -1 0 0.90 0.90 11 1 0 -0.70 0.60 -11 1 0 1.00 0.80 -11 1 0 0.80 0.80 11 1 0 0.40 0.60 -12 -1 0 11.20 1.40 -12 -1 0 12.30 1.40 12 1 0 13.90 1.20 -12 1 0 11.70 1.30 -12 1 0 12.70 1.30 12 1 0 13.10 1.20 -13 -1 0 1.90 1.20 -13 -1 0 -0.80 1.10 13 1 0 0.40 0.50 -13 1 0 0.30 1.00 13 1 0 -0.30 0.50 -14 -1 0 30.20 2.70 -14 -1 0 26.90 2.70 -14 1 0 27.80 2.50 -14 1 0 29.10 2.60 -15 -1 0 -0.80 1.50 -15 -1 0 2.00 1.60 -15 1 0 0.20 1.70 -15 1 0 2.50 1.50 -16 -1 0 12.50 2.00 -16 -1 0 12.90 2.10 -16 1 0 12.40 1.90 -16 1 0 10.60 1.90 1 -2 0 31.30 0.90 -1 -2 0 29.30 1.00 1 -2 0 30.30 0.80 1 2 0 26.20 0.90 -2 -2 0 125.29 2.40 2 -2 0 123.99 2.20 -2 -2 0 130.19 2.40 2 -2 0 124.79 2.20 2 2 0 125.99 2.40 -2 2 0 125.49 2.30 -2 2 0 125.79 2.30 2 2 0 125.49 2.40 -3 -2 0 1.10 0.30 3 -2 0 1.40 0.20 3 -2 0 0.90 0.20 -3 -2 0 1.90 0.40 3 2 0 1.70 0.40 -3 2 0 1.10 0.30 3 2 0 1.90 0.40 -3 2 0 1.00 0.30 -4 -2 0 264.57 4.80 -4 -2 0 263.97 4.90 4 -2 0 265.97 4.60 4 -2 0 258.97 4.60 -4 2 0 262.77 4.70 -4 2 0 273.07 4.70 4 2 0 265.07 4.80 4 2 0 268.17 4.80 -5 -2 0 140.49 2.90 5 -2 0 135.89 2.50 -5 -2 0 136.09 2.90 5 -2 0 137.99 2.60 5 2 0 136.09 2.80 -5 2 0 140.09 2.70 -5 2 0 137.79 2.70 5 2 0 136.99 2.80 6 -2 0 45.90 1.10 6 -2 0 44.50 1.10 -6 -2 0 45.60 1.50 -6 -2 0 47.30 1.50 6 2 0 48.10 1.40 6 2 0 44.80 1.40 -6 2 0 44.10 1.30 -6 2 0 46.40 1.30 -7 -2 0 168.98 3.70 7 -2 0 176.68 3.20 -7 -2 0 172.38 3.60 7 -2 0 170.48 3.20 -7 2 0 172.58 3.50 7 2 0 167.78 3.50 7 2 0 174.68 3.50 -7 2 0 170.48 3.50 -8 -2 0 2.70 0.70 -8 -2 0 2.30 0.70 8 -2 0 2.80 0.40 8 -2 0 2.80 0.40 8 2 0 2.90 0.60 -8 2 0 2.70 0.60 8 2 0 3.60 0.60 -8 2 0 3.40 0.60 9 -2 0 0.40 0.30 -9 -2 0 1.00 0.70 9 -2 0 0.40 0.30 -9 -2 0 0.10 0.70 -9 2 0 1.30 0.70 9 2 0 1.30 0.60 9 2 0 1.30 0.60 -9 2 0 1.40 0.60 10 -2 0 124.79 2.40 -10 -2 0 127.09 3.40 10 -2 0 120.79 2.50 -10 -2 0 131.69 3.60 -10 2 0 126.19 3.20 10 2 0 129.09 3.00 10 2 0 128.09 3.00 -10 2 0 128.49 3.20 -11 -2 0 19.10 1.90 -11 -2 0 18.80 2.00 -11 2 0 20.00 1.70 -11 2 0 19.50 1.70 11 2 0 15.60 1.40 11 2 0 16.10 1.40 -12 -2 0 2.20 1.20 -12 -2 0 3.50 1.30 -12 2 0 4.20 1.00 12 2 0 3.40 0.80 12 2 0 3.70 0.80 -12 2 0 2.60 1.00 -13 -2 0 -1.00 1.20 -13 -2 0 -0.50 1.20 13 2 0 0.70 0.70 -13 2 0 0.70 1.00 -13 2 0 1.90 1.80 13 2 0 1.20 0.70 -14 -2 0 6.00 1.50 -14 -2 0 4.10 2.30 -14 2 0 3.70 1.30 -14 2 0 3.70 1.30 14 2 0 5.90 0.70 14 2 0 5.40 0.70 -15 -2 0 0.10 1.60 -15 -2 0 -0.20 1.60 -15 2 0 -0.70 1.40 -16 -2 0 18.50 2.40 -16 -2 0 14.00 2.10 -16 2 0 15.40 2.00 -16 2 0 12.50 1.90 0 -3 0 -0.10 0.20 0 -3 0 0.20 0.20 0 3 0 0.20 0.30 -1 -3 0 82.29 1.80 1 -3 0 81.59 1.70 1 -3 0 84.99 1.70 -1 -3 0 83.39 1.80 -1 3 0 81.39 1.70 1 3 0 85.99 1.80 -1 3 0 86.59 1.80 1 3 0 82.49 1.80 2 -3 0 13.00 0.60 -2 -3 0 14.10 0.70 2 -3 0 12.40 0.50 -2 -3 0 14.30 0.80 -2 3 0 12.70 0.60 -2 3 0 12.30 0.60 2 3 0 12.90 0.80 2 3 0 12.90 0.70 3 -3 0 2.90 0.40 3 -3 0 2.60 0.30 -3 -3 0 2.30 0.40 -3 -3 0 2.70 0.50 3 3 0 3.30 0.40 -3 3 0 2.70 0.30 3 3 0 2.40 0.40 -4 -3 0 163.68 3.30 4 -3 0 161.58 2.90 -4 -3 0 158.88 3.30 4 -3 0 161.18 2.90 4 3 0 160.48 3.20 -4 3 0 161.98 3.00 -4 3 0 164.58 3.10 4 3 0 163.98 3.20 -5 -3 0 14.40 1.00 -5 -3 0 14.40 1.00 5 -3 0 13.80 0.60 5 -3 0 13.10 0.60 5 3 0 14.40 0.90 5 3 0 13.90 0.90 -5 3 0 13.90 0.80 -5 3 0 14.20 0.80 6 -3 0 12.30 0.60 -6 -3 0 11.70 1.10 -6 -3 0 13.80 1.00 6 -3 0 11.90 0.60 -6 3 0 12.70 0.90 6 3 0 12.00 1.00 -6 3 0 12.10 0.80 6 3 0 12.70 1.00 -7 -3 0 21.60 1.30 7 -3 0 21.40 0.80 7 -3 0 21.80 0.80 -7 -3 0 21.30 1.40 -7 3 0 21.50 1.10 7 3 0 20.40 1.20 7 3 0 20.70 1.20 -7 3 0 22.20 1.10 -8 -3 0 2.00 0.70 8 -3 0 2.30 0.30 8 -3 0 2.50 0.30 -8 -3 0 1.50 0.70 8 3 0 1.70 0.60 -8 3 0 2.30 0.60 -8 3 0 2.40 0.60 8 3 0 3.00 0.70 -9 -3 0 2.50 0.90 -9 -3 0 1.20 0.80 9 3 0 1.50 0.70 -9 3 0 2.50 0.70 -9 3 0 3.60 0.70 9 3 0 4.00 0.70 -10 -3 0 38.80 2.10 -10 -3 0 41.40 2.30 -10 3 0 40.80 1.90 10 3 0 37.90 1.80 10 3 0 38.40 1.80 -10 3 0 39.40 1.90 -11 -3 0 4.30 1.20 -11 -3 0 5.90 1.20 -11 3 0 5.50 0.90 -11 3 0 5.90 1.00 11 3 0 4.70 0.90 11 3 0 5.40 0.90 -12 -3 0 3.60 1.30 -12 -3 0 1.80 1.30 -12 3 0 3.30 1.00 12 3 0 4.00 0.90 12 3 0 4.50 0.90 -12 3 0 3.80 1.00 -13 -3 0 11.10 1.60 -13 -3 0 13.10 1.70 13 3 0 13.80 1.60 -13 3 0 11.70 1.40 -13 3 0 12.10 1.80 13 3 0 11.20 1.50 -14 -3 0 11.90 1.90 -14 -3 0 18.00 2.00 -14 3 0 14.40 1.60 14 3 0 18.40 1.50 14 3 0 17.10 1.50 -14 3 0 17.00 2.30 -15 -3 0 13.00 2.10 -15 -3 0 12.60 2.10 15 3 0 13.10 1.10 -15 3 0 11.70 1.70 15 3 0 12.80 1.10 -16 -3 0 1.50 2.10 -16 -3 0 1.20 1.90 -16 3 0 1.10 1.60 -16 3 0 3.20 1.60 0 -4 0 4740.03 78.19 0 -4 0 4542.35 77.39 0 4 0 4547.75 77.69 0 4 0 4740.33 78.29 -1 -4 0 211.18 3.90 1 -4 0 206.98 3.80 -1 -4 0 206.18 4.00 -1 4 0 210.08 3.80 1 4 0 206.38 3.90 1 4 0 210.48 4.00 -1 4 0 209.48 3.90 -2 -4 0 66.59 1.80 2 -4 0 67.49 1.50 -2 -4 0 67.29 1.70 2 -4 0 63.79 1.50 2 4 0 66.29 1.70 -2 4 0 66.99 1.50 2 4 0 66.89 1.70 -2 4 0 65.99 1.60 -3 -4 0 2.00 0.40 3 -4 0 2.40 0.30 -3 -4 0 2.20 0.50 3 -4 0 2.50 0.30 -3 4 0 2.20 0.40 -3 4 0 2.10 0.40 3 4 0 2.40 0.40 3 4 0 2.70 0.50 4 -4 0 140.29 2.60 -4 -4 0 135.79 3.10 -4 -4 0 137.89 3.00 4 -4 0 141.89 2.60 -4 4 0 139.69 2.80 -4 4 0 140.79 2.80 4 4 0 138.59 3.00 4 4 0 139.39 3.00 -5 -4 0 3.30 0.70 5 -4 0 2.90 0.30 -5 -4 0 2.70 0.60 5 -4 0 2.80 0.30 -5 4 0 2.30 0.40 5 4 0 2.50 0.50 -5 4 0 2.60 0.40 5 4 0 2.20 0.50 -6 -4 0 471.05 8.40 -6 -4 0 455.75 8.50 6 -4 0 451.15 7.80 6 -4 0 449.06 7.80 6 4 0 461.15 8.30 6 4 0 470.85 8.40 -6 4 0 454.35 8.10 -6 4 0 467.65 8.10 -7 -4 0 93.09 2.60 7 -4 0 96.49 1.90 7 -4 0 95.19 1.90 -7 -4 0 96.59 2.70 7 4 0 97.19 2.50 7 4 0 93.79 2.50 -7 4 0 93.69 2.30 -7 4 0 97.39 2.30 -8 -4 0 8.70 1.10 -8 -4 0 7.10 0.90 8 4 0 9.30 1.20 -8 4 0 8.90 1.10 -8 4 0 8.70 1.10 8 4 0 8.90 1.20 -9 -4 0 1.00 0.90 -9 -4 0 0.70 0.80 -9 4 0 0.00 0.60 -9 4 0 -0.10 0.60 9 4 0 -0.80 0.70 9 4 0 0.40 0.70 -10 -4 0 61.89 2.70 -10 -4 0 60.59 2.50 10 4 0 62.19 2.20 -10 4 0 61.39 2.20 10 4 0 61.49 2.30 -10 4 0 61.59 2.20 -11 -4 0 22.00 2.10 -11 -4 0 26.20 2.30 -11 4 0 24.50 1.80 11 4 0 25.10 1.80 11 4 0 24.60 1.80 -11 4 0 28.70 1.90 -12 -4 0 1.10 1.30 -12 -4 0 1.90 1.10 12 4 0 1.30 0.90 -12 4 0 3.20 0.90 12 4 0 2.00 0.90 -12 4 0 3.60 1.00 -13 -4 0 14.20 1.80 -13 -4 0 13.30 1.60 -13 4 0 16.70 2.10 13 4 0 14.50 1.80 13 4 0 18.90 1.80 -14 -4 0 -0.90 1.40 -14 -4 0 -1.00 1.50 -14 4 0 0.80 1.30 14 4 0 1.40 0.90 -14 4 0 -0.40 1.10 14 4 0 1.70 0.90 -15 -4 0 3.80 2.00 -15 -4 0 4.90 1.80 15 4 0 4.90 0.90 -15 4 0 3.80 1.50 15 4 0 5.20 1.00 -16 -4 0 1.60 2.00 -16 -4 0 -1.40 2.10 -16 4 0 0.40 1.50 -16 4 0 -0.30 1.60 0 -5 0 0.30 0.40 0 -5 0 0.10 0.40 0 5 0 -0.10 0.40 0 5 0 -0.30 0.30 -1 -5 0 41.40 1.40 -1 -5 0 42.50 1.30 1 -5 0 42.60 1.30 1 -5 0 42.50 1.20 -1 5 0 41.10 1.30 1 5 0 42.60 1.40 1 5 0 42.00 1.30 -1 5 0 43.10 1.40 -2 -5 0 27.20 1.10 2 -5 0 24.90 0.90 -2 -5 0 23.40 1.20 2 -5 0 24.60 0.90 -2 5 0 25.10 1.00 -2 5 0 26.40 1.10 2 5 0 25.60 1.20 2 5 0 25.80 1.10 -3 -5 0 310.07 5.90 3 -5 0 296.97 5.40 -3 -5 0 307.27 5.70 3 -5 0 304.77 5.40 -3 5 0 307.97 5.50 -3 5 0 305.17 5.60 3 5 0 304.77 5.80 3 5 0 309.97 5.70 4 -5 0 424.06 7.40 -4 -5 0 431.66 8.00 -4 -5 0 440.66 7.80 4 -5 0 428.46 7.40 -4 5 0 438.56 7.60 4 5 0 432.16 7.80 -4 5 0 424.46 7.60 4 5 0 435.86 7.90 5 -5 0 4.90 0.60 5 -5 0 5.40 0.50 -5 -5 0 4.10 0.70 -5 -5 0 4.40 0.80 5 5 0 4.40 0.70 5 5 0 4.20 0.70 -5 5 0 4.70 0.60 -5 5 0 4.40 0.50 -6 -5 0 5.60 0.90 6 -5 0 5.60 0.60 6 -5 0 5.30 0.60 -6 -5 0 5.50 0.80 6 5 0 5.20 0.70 6 5 0 4.60 0.70 -6 5 0 6.60 0.70 -6 5 0 5.20 0.60 -7 -5 0 95.09 2.90 7 -5 0 95.39 1.90 -7 -5 0 94.89 2.70 7 -5 0 94.29 1.90 7 5 0 95.59 2.60 -7 5 0 96.89 2.40 7 5 0 98.99 2.60 -7 5 0 97.19 2.40 -8 -5 0 0.60 0.90 -8 -5 0 0.10 0.70 8 5 0 -0.20 0.70 8 5 0 0.20 0.70 -8 5 0 -0.30 0.60 -8 5 0 0.10 0.60 -9 -5 0 2.00 1.00 -9 -5 0 1.40 0.90 -9 5 0 2.10 0.70 -9 5 0 1.80 0.70 9 5 0 2.80 0.90 9 5 0 2.90 0.90 -10 -5 0 78.09 3.10 -10 -5 0 80.39 2.90 -10 5 0 78.09 2.50 -10 5 0 78.89 2.60 10 5 0 76.39 2.60 10 5 0 78.79 2.70 -11 -5 0 -0.50 1.10 -11 -5 0 1.00 1.20 -11 5 0 1.10 0.80 -11 5 0 1.20 0.80 11 5 0 -1.10 0.90 11 5 0 0.60 0.90 -12 -5 0 1.90 1.20 -12 -5 0 3.90 1.30 12 5 0 3.90 1.10 -12 5 0 2.70 1.00 12 5 0 3.40 1.00 -12 5 0 3.10 1.00 -13 -5 0 31.60 2.80 -13 -5 0 31.10 4.10 -13 5 0 30.70 2.30 13 5 0 29.60 2.20 13 5 0 32.40 2.20 -14 -5 0 5.70 1.70 -14 -5 0 4.80 1.80 14 5 0 3.20 1.20 -14 5 0 4.70 1.30 -14 5 0 5.80 1.40 14 5 0 6.20 1.20 -15 -5 0 5.50 2.10 -15 -5 0 3.10 1.90 -15 5 0 2.60 1.50 15 5 0 4.70 1.10 15 5 0 6.10 1.10 -16 -5 0 1.50 2.10 -16 -5 0 -5.20 2.20 -16 5 0 -0.80 1.50 16 5 0 -1.00 1.20 16 5 0 0.30 0.90 -16 5 0 -1.70 1.70 0 -6 0 195.78 3.90 0 -6 0 198.18 4.00 0 6 0 197.08 4.10 0 6 0 195.38 3.90 -1 -6 0 60.59 1.80 -1 -6 0 57.39 1.70 1 -6 0 58.59 1.70 1 -6 0 57.39 1.60 -1 6 0 58.29 1.60 1 6 0 57.09 1.80 1 6 0 58.59 1.70 -1 6 0 57.29 1.80 -2 -6 0 4.30 0.60 2 -6 0 3.80 0.50 2 -6 0 4.50 0.50 -2 -6 0 3.40 0.60 -2 6 0 4.60 0.60 2 6 0 4.50 0.60 2 6 0 4.50 0.70 -2 6 0 4.50 0.60 -3 -6 0 -0.10 0.60 3 -6 0 -0.30 0.40 -3 -6 0 0.10 0.50 3 -6 0 -0.10 0.40 -3 6 0 -0.70 0.40 3 6 0 0.60 0.60 3 6 0 -0.70 0.50 -4 -6 0 243.38 4.90 4 -6 0 241.78 4.50 4 -6 0 238.78 4.40 -4 -6 0 242.18 5.10 4 6 0 241.18 4.90 4 6 0 237.48 4.90 -4 6 0 240.68 4.70 -4 6 0 246.28 4.60 -5 -6 0 43.20 1.90 5 -6 0 43.70 1.20 5 -6 0 43.40 1.20 -5 -6 0 45.30 1.80 -5 6 0 43.30 1.50 5 6 0 42.00 1.70 -5 6 0 41.00 1.50 5 6 0 42.90 1.70 -6 -6 0 68.49 2.40 6 -6 0 65.79 1.50 6 -6 0 69.49 1.60 -6 -6 0 69.69 2.30 -6 6 0 66.49 1.90 -6 6 0 70.99 2.00 6 6 0 67.19 2.20 6 6 0 68.89 2.20 7 -6 0 108.49 2.20 -7 -6 0 113.59 3.30 7 -6 0 107.19 2.20 -7 -6 0 113.29 3.10 -7 6 0 113.29 2.70 -7 6 0 112.19 2.80 7 6 0 114.29 3.00 7 6 0 113.79 3.00 -8 -6 0 0.50 0.90 -8 -6 0 1.20 0.90 8 6 0 1.50 0.80 8 6 0 0.90 0.80 -8 6 0 1.90 0.60 -8 6 0 1.30 0.70 -9 -6 0 8.80 1.30 -9 -6 0 9.00 1.20 9 6 0 7.90 1.10 -9 6 0 5.40 0.80 -9 6 0 6.20 0.90 9 6 0 8.60 1.10 -10 -6 0 84.59 3.30 -10 -6 0 76.19 4.40 -10 6 0 86.29 2.70 10 6 0 86.69 2.90 10 6 0 80.99 2.90 -10 6 0 84.29 2.60 -11 -6 0 3.60 1.40 -11 -6 0 1.30 1.10 11 6 0 1.70 1.00 -11 6 0 3.40 0.90 -11 6 0 1.50 0.90 11 6 0 1.00 1.00 -12 -6 0 6.20 1.40 -12 -6 0 6.50 1.60 -12 6 0 7.70 1.20 12 6 0 8.00 1.20 12 6 0 7.20 1.20 -12 6 0 8.40 1.20 -13 -6 0 5.50 1.50 -13 -6 0 6.40 1.80 -13 6 0 6.00 1.20 13 6 0 8.50 1.30 13 6 0 6.40 1.20 -13 6 0 4.20 1.40 -14 -6 0 0.80 1.60 -14 -6 0 0.50 1.70 -14 6 0 1.30 1.30 14 6 0 2.40 1.20 14 6 0 2.40 1.20 -14 6 0 2.40 1.20 -15 -6 0 -0.60 1.80 -15 -6 0 1.40 2.20 15 6 0 0.90 1.20 -15 6 0 -1.10 1.60 15 6 0 0.40 1.30 -15 6 0 -0.50 1.50 0 -7 0 -1.00 0.40 0 -7 0 -0.20 0.50 0 7 0 -0.50 0.50 0 7 0 -1.00 0.40 -1 -7 0 4.30 0.60 1 -7 0 3.90 0.60 -1 -7 0 3.20 0.70 1 -7 0 4.30 0.60 -1 7 0 4.10 0.70 -1 7 0 3.40 0.60 1 7 0 3.70 0.60 1 7 0 3.90 0.70 2 -7 0 264.57 5.00 2 -7 0 267.37 5.10 -2 -7 0 265.47 5.20 -2 -7 0 269.27 5.50 2 7 0 270.67 5.30 -2 7 0 269.17 5.20 2 7 0 268.27 5.40 -2 7 0 264.77 5.30 -3 -7 0 227.18 4.90 3 -7 0 231.88 4.40 3 -7 0 225.48 4.40 -3 -7 0 232.98 4.70 -3 7 0 238.08 4.60 -3 7 0 228.58 4.70 3 7 0 230.18 4.80 3 7 0 222.98 4.80 4 -7 0 151.38 3.00 4 -7 0 151.08 3.10 -4 -7 0 147.69 3.70 -4 -7 0 151.98 3.50 -4 7 0 151.58 3.30 4 7 0 145.79 3.50 4 7 0 146.59 3.60 5 -7 0 -0.30 0.30 -5 -7 0 -1.80 0.70 5 -7 0 0.20 0.40 -5 -7 0 0.10 0.60 -5 7 0 -0.20 0.50 5 7 0 -1.40 0.60 5 7 0 -0.60 0.60 -5 7 0 -0.10 0.50 6 -7 0 -0.40 0.30 -6 -7 0 -0.60 0.70 -6 -7 0 -0.50 0.70 6 -7 0 -0.20 0.40 6 7 0 -1.00 0.60 -6 7 0 -0.20 0.50 -6 7 0 -0.20 0.60 6 7 0 -0.50 0.60 7 -7 0 35.60 1.00 -7 -7 0 35.70 2.20 7 -7 0 32.50 1.10 -7 -7 0 34.90 2.00 7 7 0 37.90 2.00 -7 7 0 35.80 1.70 7 7 0 36.90 1.90 -7 7 0 36.00 1.60 -8 -7 0 9.40 1.30 -8 -7 0 15.30 1.80 -8 7 0 14.90 1.50 -8 7 0 13.20 1.40 8 7 0 12.50 1.70 8 7 0 12.10 1.60 -9 -7 0 98.79 3.20 -9 -7 0 91.59 3.40 -9 7 0 89.79 2.80 -9 7 0 90.19 2.70 9 7 0 91.99 3.00 9 7 0 89.99 3.00 -10 -7 0 38.10 2.60 -10 -7 0 41.40 2.80 10 7 0 41.00 2.40 -10 7 0 36.80 2.10 10 7 0 39.90 2.30 -10 7 0 38.60 2.00 -11 -7 0 -0.50 1.20 -11 -7 0 1.10 1.40 -11 7 0 0.20 0.90 11 7 0 2.00 1.10 11 7 0 0.50 1.00 -11 7 0 0.80 0.90 -12 -7 0 3.70 1.50 -12 -7 0 5.10 1.70 12 7 0 4.50 1.20 -12 7 0 4.90 1.10 -12 7 0 3.50 1.20 12 7 0 5.40 1.30 -13 -7 0 26.40 2.90 -13 -7 0 26.20 3.20 -13 7 0 21.40 2.50 13 7 0 23.60 2.40 13 7 0 23.90 2.50 -13 7 0 20.80 2.20 -14 -7 0 6.80 2.10 -14 -7 0 1.10 1.80 14 7 0 6.70 1.40 -14 7 0 5.90 1.40 14 7 0 5.10 1.40 -14 7 0 7.80 1.60 -15 -7 0 0.40 2.00 -15 -7 0 4.30 2.40 -15 7 0 1.90 1.40 15 7 0 2.20 1.40 -15 7 0 2.40 1.60 15 7 0 3.70 1.40 0 -8 0 61.79 1.90 0 -8 0 64.39 2.10 0 8 0 64.29 2.20 0 8 0 62.99 2.00 -1 -8 0 105.79 2.70 1 -8 0 109.99 2.70 1 -8 0 108.89 2.60 -1 -8 0 106.29 2.90 1 8 0 104.49 2.90 -1 8 0 109.29 2.70 1 8 0 106.09 2.80 -1 8 0 108.79 2.90 2 -8 0 5.30 0.70 -2 -8 0 5.00 0.90 -2 -8 0 6.30 0.80 2 -8 0 6.40 0.70 -2 8 0 5.40 0.70 2 8 0 6.40 0.90 -2 8 0 5.60 0.80 2 8 0 6.80 1.00 3 -8 0 4.70 0.60 -3 -8 0 2.60 0.80 3 -8 0 4.30 0.60 -3 -8 0 4.30 0.80 -3 8 0 4.80 0.80 3 8 0 2.10 0.70 3 8 0 4.70 0.90 -3 8 0 3.90 0.70 4 -8 0 157.08 3.30 -4 -8 0 148.59 3.70 4 -8 0 156.18 3.20 -4 -8 0 154.28 4.00 4 8 0 151.88 3.80 -4 8 0 156.38 3.50 -4 8 0 154.68 3.60 4 8 0 155.78 3.80 -5 -8 0 71.29 2.70 5 -8 0 74.79 1.90 -5 -8 0 70.09 2.40 5 -8 0 71.49 1.80 5 8 0 75.19 2.50 -5 8 0 75.59 2.20 5 8 0 74.29 2.50 6 -8 0 1.50 0.40 -6 -8 0 1.50 0.80 -6 -8 0 1.80 1.00 6 -8 0 2.30 0.50 -6 8 0 2.30 0.70 -6 8 0 0.50 0.60 6 8 0 1.40 0.80 6 8 0 -0.30 0.80 7 -8 0 103.99 2.30 -7 -8 0 110.49 3.30 7 -8 0 106.99 2.20 -7 -8 0 107.49 3.50 7 8 0 112.09 3.20 7 8 0 111.79 3.30 -7 8 0 107.59 3.00 -7 8 0 108.99 2.90 8 -8 0 0.20 0.40 -8 -8 0 0.30 1.20 -8 -8 0 0.60 1.00 8 8 0 1.10 0.90 -8 8 0 0.50 0.80 8 8 0 0.80 1.00 -8 8 0 -0.40 0.70 -9 -8 0 27.70 2.30 -9 -8 0 27.00 2.50 9 8 0 28.30 2.20 -9 8 0 23.70 1.80 9 8 0 26.30 2.10 -9 8 0 24.00 1.90 -10 -8 0 24.30 2.60 -10 -8 0 28.90 2.50 -10 8 0 29.20 2.10 10 8 0 33.20 2.40 -10 8 0 31.40 2.00 10 8 0 31.80 2.30 -11 -8 0 61.99 3.20 11 8 0 61.49 2.90 -11 8 0 60.69 2.70 -11 8 0 59.39 2.50 11 8 0 63.49 2.90 -12 -8 0 -2.60 1.40 -12 -8 0 -1.40 1.50 -12 8 0 -0.90 1.00 12 8 0 -1.60 1.20 12 8 0 0.10 1.30 -13 -8 0 20.40 2.20 -13 -8 0 14.50 2.30 13 8 0 25.80 2.70 -13 8 0 15.80 1.80 -13 8 0 24.50 2.40 -14 -8 0 0.20 1.80 -14 -8 0 -0.60 2.10 -14 8 0 1.00 1.40 -14 8 0 1.30 1.50 14 8 0 2.10 1.50 -15 -8 0 -2.00 2.20 15 8 0 0.90 1.50 -15 8 0 5.90 1.80 -15 8 0 -1.20 1.40 0 -9 0 0.50 0.70 0 -9 0 0.30 0.60 0 9 0 -0.80 0.60 0 9 0 0.10 0.80 1 -9 0 6.60 0.80 -1 -9 0 8.20 1.10 1 -9 0 9.90 1.20 -1 -9 0 8.70 0.90 -1 9 0 9.40 1.10 -1 9 0 7.80 0.90 1 9 0 8.90 1.10 1 9 0 7.30 0.90 2 -9 0 15.00 1.20 2 -9 0 14.60 1.30 -2 -9 0 12.60 1.40 -2 -9 0 14.20 1.60 2 9 0 11.70 1.40 2 9 0 13.30 1.60 -2 9 0 14.50 1.50 -2 9 0 13.50 1.30 3 -9 0 315.97 6.00 -3 -9 0 319.17 6.40 -3 -9 0 320.67 6.70 3 -9 0 317.07 6.10 -3 9 0 321.57 6.30 3 9 0 314.07 6.60 -3 9 0 318.17 6.50 3 9 0 314.97 6.40 -4 -9 0 85.79 2.70 4 -9 0 84.19 2.20 4 -9 0 86.79 2.30 -4 -9 0 85.69 3.00 4 9 0 81.79 2.70 -4 9 0 86.19 2.70 -4 9 0 84.89 2.50 4 9 0 82.19 2.80 5 -9 0 16.60 1.10 5 -9 0 15.20 1.10 -5 -9 0 16.40 1.60 -5 -9 0 13.40 1.80 5 9 0 15.50 1.70 5 9 0 19.00 1.80 -5 9 0 16.50 1.60 -5 9 0 17.00 1.50 -6 -9 0 1.30 1.00 6 -9 0 1.50 0.50 -6 -9 0 0.30 0.90 6 -9 0 1.70 0.50 -6 9 0 0.30 0.70 6 9 0 2.90 1.00 6 9 0 0.70 0.90 -7 -9 0 59.49 2.70 7 -9 0 57.09 1.50 7 -9 0 56.19 1.60 -7 -9 0 56.59 2.80 7 9 0 61.09 2.60 7 9 0 60.89 2.60 -7 9 0 57.09 2.40 -7 9 0 59.29 2.20 -8 -9 0 21.10 2.40 8 -9 0 19.20 0.70 -8 -9 0 20.70 2.20 8 9 0 19.60 2.00 -8 9 0 19.80 1.90 8 9 0 20.10 2.10 -8 9 0 17.40 1.70 -9 -9 0 21.90 2.60 -9 -9 0 22.90 2.40 -9 9 0 23.80 1.80 9 9 0 26.30 2.30 9 9 0 26.30 2.30 -9 9 0 23.60 2.10 -10 -9 0 7.20 1.40 -10 -9 0 10.10 2.10 -10 9 0 8.80 1.20 10 9 0 8.30 1.50 10 9 0 6.10 2.30 -10 9 0 7.10 1.20 -11 -9 0 3.20 1.50 -11 -9 0 6.10 1.80 -11 9 0 5.20 1.30 -11 9 0 3.30 1.10 11 9 0 4.60 1.40 11 9 0 2.80 1.40 -12 -9 0 0.00 1.60 -12 -9 0 1.20 1.70 12 9 0 0.60 1.50 12 9 0 0.50 1.30 -12 9 0 1.70 1.30 -12 9 0 -0.20 1.00 -13 -9 0 32.60 3.90 -13 -9 0 29.50 3.40 -13 9 0 28.70 2.50 13 9 0 35.00 2.90 -13 9 0 29.20 2.90 13 9 0 27.80 2.90 -14 -9 0 2.10 2.40 -14 -9 0 -2.60 1.90 14 9 0 0.30 1.60 -14 9 0 1.40 1.60 14 9 0 2.30 1.50 -14 9 0 2.80 2.50 0 -10 0 32.80 1.70 0 -10 0 33.00 1.90 0 10 0 30.60 1.80 0 10 0 31.00 2.00 -1 -10 0 15.20 1.70 1 -10 0 17.30 1.50 -1 -10 0 14.40 1.50 1 -10 0 14.50 1.40 -1 10 0 13.80 1.70 -1 10 0 13.30 1.50 1 10 0 13.00 1.70 -2 -10 0 1.00 0.80 2 -10 0 0.40 0.70 -2 -10 0 1.20 0.90 2 -10 0 1.00 0.70 -2 10 0 1.10 0.80 -2 10 0 0.80 0.70 2 10 0 1.10 0.90 2 10 0 -0.30 0.80 -3 -10 0 1.20 1.00 3 -10 0 1.20 0.70 -3 -10 0 0.60 0.90 3 -10 0 1.70 0.70 3 10 0 1.20 0.80 3 10 0 0.70 0.90 -3 10 0 0.80 0.90 -3 10 0 1.60 0.80 -4 -10 0 2.00 1.00 -4 -10 0 2.40 0.90 4 -10 0 3.80 0.70 4 -10 0 4.00 0.70 4 10 0 3.10 1.00 4 10 0 2.60 0.90 -4 10 0 1.90 0.80 -4 10 0 3.80 1.00 -5 -10 0 162.68 4.10 -5 -10 0 155.48 4.40 5 -10 0 152.28 3.40 5 -10 0 156.88 3.40 5 10 0 160.18 4.20 -5 10 0 157.58 4.10 5 10 0 158.08 4.10 -5 10 0 156.88 3.80 -6 -10 0 6.20 1.10 -6 -10 0 6.60 1.30 6 -10 0 8.70 1.10 6 -10 0 7.70 1.00 -6 10 0 9.00 1.20 6 10 0 9.70 1.40 -6 10 0 7.20 1.00 6 10 0 7.90 1.30 7 -10 0 23.50 1.10 7 -10 0 22.50 1.20 -7 -10 0 25.70 2.40 -7 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0.90 1 -11 0 2.80 0.80 -1 11 0 3.00 0.90 1 11 0 0.50 0.90 -1 11 0 2.30 1.00 1 11 0 0.70 1.00 -2 -11 0 9.30 1.10 2 -11 0 11.10 1.50 -2 -11 0 12.10 1.40 2 -11 0 10.70 1.40 2 11 0 11.50 1.40 2 11 0 9.10 1.20 -2 11 0 12.70 1.60 -2 11 0 9.90 1.30 3 -11 0 68.69 2.30 -3 -11 0 71.09 2.70 -3 -11 0 73.69 3.00 3 -11 0 69.49 2.40 -3 11 0 72.09 2.80 -3 11 0 73.09 2.60 3 11 0 71.39 2.70 3 11 0 69.79 2.90 -4 -11 0 6.60 1.30 -4 -11 0 5.70 1.20 4 -11 0 6.20 0.90 4 -11 0 5.80 0.90 4 11 0 6.40 1.30 4 11 0 4.50 1.10 -4 11 0 5.30 1.10 -4 11 0 4.70 1.00 5 -11 0 3.80 0.70 5 -11 0 3.40 0.80 -5 -11 0 3.40 1.10 -5 -11 0 3.30 1.20 -5 11 0 3.30 1.00 5 11 0 3.20 1.20 5 11 0 3.10 1.10 -5 11 0 4.20 1.10 -6 -11 0 3.30 1.20 -6 -11 0 3.10 1.40 6 -11 0 4.20 0.70 6 -11 0 3.50 0.70 6 11 0 3.80 1.20 -6 11 0 3.00 1.10 -6 11 0 2.90 0.90 6 11 0 2.90 1.80 7 -11 0 8.50 0.80 -7 -11 0 9.70 1.50 7 -11 0 8.90 1.00 -7 11 0 7.80 1.10 -7 11 0 7.10 1.30 7 11 0 9.00 1.40 7 11 0 11.40 1.50 8 -11 0 16.90 1.00 8 -11 0 17.80 0.90 -8 -11 0 24.00 2.70 -8 11 0 19.30 1.90 8 11 0 14.40 1.60 8 11 0 17.20 2.20 -9 -11 0 8.80 1.70 -9 -11 0 10.90 1.90 9 11 0 8.00 1.50 9 11 0 8.00 1.50 -9 11 0 10.90 1.40 -10 -11 0 23.50 2.90 -10 -11 0 30.20 3.40 10 11 0 19.60 2.00 10 11 0 22.70 2.70 -10 11 0 18.10 2.20 -10 11 0 18.90 2.10 -11 -11 0 9.10 1.80 -11 -11 0 13.90 2.40 -11 11 0 10.00 1.70 11 11 0 10.10 1.80 -11 11 0 9.40 1.40 -12 -11 0 -0.80 2.10 -12 -11 0 1.30 1.80 -12 11 0 4.60 1.70 12 11 0 2.70 1.60 -12 11 0 1.50 1.30 -13 -11 0 -1.20 2.00 -13 -11 0 1.20 2.50 -13 11 0 1.70 1.80 13 11 0 1.50 1.80 -13 11 0 -0.40 1.40 -14 11 0 0.90 2.10 14 11 0 5.30 2.40 14 11 0 5.50 2.00 -14 11 0 -0.40 1.60 0 -12 0 28.70 1.90 0 -12 0 28.10 2.10 0 12 0 31.00 2.40 0 12 0 30.10 2.10 1 -12 0 0.40 0.80 -1 -12 0 -0.50 0.90 -1 -12 0 -2.20 0.90 1 12 0 -2.70 1.10 -1 12 0 -0.20 1.10 -1 12 0 -1.20 0.90 1 12 0 -2.40 1.00 -2 -12 0 -1.30 0.90 2 -12 0 -0.30 0.90 2 -12 0 0.80 0.80 -2 -12 0 0.10 1.10 -2 12 0 -0.30 0.90 2 12 0 -1.80 1.20 2 12 0 -2.30 1.00 -2 12 0 0.50 1.20 3 -12 0 4.10 0.90 -3 -12 0 3.20 1.10 -3 -12 0 3.70 1.20 3 -12 0 5.00 1.00 -3 12 0 4.40 1.20 3 12 0 2.80 1.30 3 12 0 2.70 1.20 -3 12 0 3.60 1.10 4 -12 0 8.30 1.00 -4 -12 0 8.00 2.40 4 -12 0 7.60 1.00 -4 -12 0 10.00 1.60 -4 12 0 8.50 1.20 4 12 0 6.60 1.40 -4 12 0 7.60 1.40 5 -12 0 77.99 2.40 -5 -12 0 76.89 3.10 5 -12 0 76.59 2.40 -5 -12 0 83.59 3.50 5 12 0 82.29 3.30 -5 12 0 80.59 2.90 -5 12 0 76.59 3.20 5 12 0 83.29 3.20 6 -12 0 0.10 0.70 -6 -12 0 1.20 1.20 6 -12 0 -0.30 0.60 6 12 0 -0.90 1.10 -6 12 0 1.30 1.20 6 12 0 0.60 1.10 -6 12 0 -0.60 1.00 -7 -12 0 6.60 1.80 7 -12 0 5.00 0.80 7 -12 0 5.30 0.70 7 12 0 6.10 1.50 7 12 0 5.00 1.30 -7 12 0 6.20 1.40 -7 12 0 6.50 1.20 8 -12 0 1.30 0.50 -8 -12 0 0.20 1.50 8 -12 0 1.80 0.50 8 12 0 1.30 1.30 8 12 0 1.00 1.30 -8 12 0 2.90 1.10 -9 -12 0 0.70 1.40 -9 -12 0 4.00 1.80 9 12 0 -1.60 1.30 -9 12 0 0.20 1.10 9 12 0 1.80 1.70 -10 -12 0 0.40 1.90 -10 -12 0 1.00 1.60 -10 12 0 1.70 1.20 10 12 0 1.80 1.50 -11 -12 0 8.60 1.90 -11 -12 0 13.40 2.50 -11 12 0 20.60 2.40 11 12 0 13.10 2.10 -12 -12 0 0.30 2.00 -12 -12 0 -1.90 2.40 12 12 0 -2.70 1.80 12 12 0 1.00 1.70 -12 12 0 0.80 1.80 -13 -12 0 1.30 2.70 13 12 0 1.20 1.90 -13 12 0 2.80 1.50 -13 12 0 2.10 2.00 13 12 0 -1.40 2.00 0 -13 0 -2.20 1.00 0 13 0 -1.60 1.60 1 -13 0 6.30 1.20 -1 -13 0 3.40 1.20 -1 -13 0 1.30 1.30 -1 13 0 4.00 1.40 1 13 0 2.70 1.20 -1 13 0 3.30 1.20 -2 -13 0 -1.40 1.30 2 -13 0 -1.00 0.90 2 -13 0 -1.20 0.90 -2 13 0 -1.60 1.00 -2 13 0 -0.80 1.20 2 13 0 -3.10 1.30 3 -13 0 97.19 3.00 -3 -13 0 91.29 3.70 3 -13 0 92.49 2.90 -3 -13 0 87.59 3.40 -3 13 0 96.59 3.30 3 13 0 89.49 3.40 3 13 0 79.99 3.60 -3 13 0 91.79 3.70 4 -13 0 20.40 1.80 4 -13 0 20.90 1.80 -4 -13 0 14.00 1.70 -4 -13 0 21.50 2.30 4 13 0 17.60 2.20 4 13 0 14.40 1.70 -4 13 0 18.20 2.10 -4 13 0 13.80 1.70 -5 -13 0 9.40 1.70 5 -13 0 8.00 1.00 -5 -13 0 8.90 1.60 5 -13 0 9.50 1.10 5 13 0 7.50 1.40 -5 13 0 7.80 2.40 5 13 0 7.40 1.50 -5 13 0 6.80 1.20 6 -13 0 0.80 0.70 6 -13 0 0.00 0.70 6 13 0 -0.70 1.20 -6 13 0 1.60 1.10 6 13 0 0.00 1.30 -6 13 0 2.80 2.10 7 -13 0 4.60 0.70 7 -13 0 5.90 0.80 -7 -13 0 5.80 1.70 -7 13 0 4.10 1.10 -7 13 0 5.50 1.50 7 13 0 5.40 2.30 8 -13 0 12.80 1.10 8 -13 0 11.20 1.00 -8 -13 0 8.50 2.00 8 13 0 11.00 1.90 -8 13 0 9.40 1.70 -8 13 0 9.60 1.40 -9 -13 0 14.20 2.20 -9 -13 0 9.70 1.70 -9 13 0 9.00 1.80 -9 13 0 10.20 1.40 9 13 0 11.30 1.90 -10 -13 0 7.90 2.00 -10 -13 0 5.60 2.30 10 13 0 6.20 1.90 -10 13 0 7.10 1.90 -10 13 0 5.60 1.40 10 13 0 4.60 1.80 -11 -13 0 -1.60 2.40 -11 -13 0 2.60 1.90 11 13 0 4.70 1.90 -11 13 0 5.10 2.50 11 13 0 -0.10 1.80 -12 -13 0 0.50 2.70 -12 -13 0 -3.30 2.70 12 13 0 -4.00 1.80 12 13 0 0.50 2.00 -12 13 0 -2.00 1.40 0 -14 0 4.20 1.30 0 -14 0 4.20 1.30 0 14 0 5.20 1.40 0 14 0 4.10 1.60 -1 -14 0 67.29 3.40 1 -14 0 71.59 3.00 1 14 0 66.59 3.20 -1 14 0 74.09 3.60 -1 14 0 73.59 3.20 1 14 0 67.49 3.60 -2 -14 0 9.70 1.50 2 -14 0 11.20 1.30 -2 -14 0 5.80 1.50 2 -14 0 9.00 1.40 -2 14 0 10.60 1.70 -2 14 0 8.90 1.40 2 14 0 8.40 1.50 -3 -14 0 5.80 1.50 3 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14 0 6.40 2.20 -12 -14 0 4.60 3.00 12 14 0 3.50 2.20 -12 14 0 6.70 2.50 12 14 0 6.00 2.40 -12 14 0 4.30 1.70 1 -15 0 67.09 3.90 -1 -15 0 74.19 3.40 -1 -15 0 74.09 3.60 -1 15 0 81.49 3.50 -1 15 0 74.39 4.00 1 15 0 76.19 5.10 -2 -15 0 25.90 3.00 -2 -15 0 23.20 2.60 2 -15 0 25.50 2.40 2 -15 0 27.80 2.40 -2 15 0 26.60 3.10 -2 15 0 31.90 2.60 2 15 0 23.50 2.80 -3 -15 0 -1.10 1.10 3 -15 0 -0.30 1.10 3 -15 0 -0.80 1.10 -3 15 0 0.10 1.20 -3 15 0 -0.30 1.50 3 15 0 2.30 1.40 -4 -15 0 18.30 2.20 4 -15 0 14.20 1.40 4 -15 0 13.20 1.50 4 15 0 13.70 1.90 -4 15 0 11.20 1.90 -4 15 0 14.70 1.70 -5 -15 0 -1.60 1.50 5 -15 0 1.60 1.00 5 -15 0 -0.80 1.00 -5 -15 0 1.00 2.20 -5 15 0 0.40 1.60 5 15 0 -0.10 1.80 -5 15 0 -1.20 1.20 5 15 0 0.00 1.60 6 -15 0 -0.60 0.80 -6 -15 0 1.00 1.50 6 -15 0 0.10 1.00 -6 -15 0 2.50 1.80 6 15 0 -0.80 1.60 -6 15 0 0.90 1.60 6 15 0 0.70 1.70 -6 15 0 0.70 1.50 -7 -15 0 3.10 2.00 7 -15 0 1.90 0.80 -7 -15 0 1.40 1.60 7 -15 0 1.90 0.90 7 15 0 2.00 1.90 -7 15 0 5.10 1.90 7 15 0 0.50 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2.00 -16 3 4 14.10 1.60 -16 3 4 12.30 1.70 -15 -3 4 2.10 1.40 -15 -3 4 2.20 1.60 -15 3 4 1.70 1.10 -15 3 4 1.70 1.10 -14 -3 4 -1.20 1.20 -14 -3 4 -1.10 1.30 -14 3 4 1.80 0.90 -14 3 4 0.70 0.90 -13 -3 4 12.80 1.60 -13 -3 4 9.00 1.30 -13 3 4 12.70 1.60 -13 3 4 9.80 1.10 -12 -3 4 1.70 1.10 -12 -3 4 2.00 1.00 -12 3 4 2.10 0.70 -12 3 4 1.20 0.70 -11 -3 4 35.50 2.00 -11 -3 4 33.60 2.10 -11 3 4 34.50 1.50 -11 3 4 34.90 1.50 -10 -3 4 11.70 1.50 -10 -3 4 10.00 1.10 -10 3 4 10.00 1.00 -10 3 4 8.40 1.00 -9 -3 4 1.60 0.80 -9 -3 4 3.10 0.80 -9 3 4 2.60 0.50 9 3 -4 2.40 0.40 9 3 -4 2.10 0.40 -9 3 4 1.90 0.50 -8 -3 4 -0.10 0.60 -8 -3 4 1.50 0.70 -8 3 4 1.20 0.30 -8 3 4 1.50 0.30 8 3 -4 0.70 0.30 8 3 -4 1.30 0.40 -7 -3 4 4.60 0.70 -7 -3 4 2.80 0.60 -7 3 4 3.80 0.40 7 3 -4 3.60 0.40 7 3 -4 4.50 0.50 -7 3 4 4.50 0.40 -6 -3 4 72.89 2.00 -6 -3 4 72.99 2.00 6 3 -4 76.09 1.70 6 3 -4 75.69 1.70 -5 -3 4 -0.30 0.40 -5 -3 4 0.00 0.40 5 3 -4 0.00 0.30 5 3 -4 0.10 0.30 -4 -3 4 304.17 5.60 -4 -3 4 305.87 5.50 4 3 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4 -3 4 2.20 0.50 -4 -3 -4 1.40 0.60 -4 3 -4 2.30 0.60 -4 3 -4 1.70 0.60 4 3 4 1.90 0.60 4 3 4 1.50 0.60 -5 -3 -4 272.87 5.60 5 -3 4 282.37 5.40 5 -3 4 274.57 5.30 -5 -3 -4 280.17 5.50 -5 3 -4 274.37 5.40 5 3 4 273.87 5.50 -5 3 -4 278.77 5.50 5 3 4 278.37 5.50 -6 -3 -4 28.70 1.50 6 -3 4 23.80 1.40 6 -3 4 25.50 1.40 -6 -3 -4 27.20 1.60 -6 3 -4 27.60 1.50 6 3 4 30.10 1.60 6 3 4 28.10 1.60 -6 3 -4 26.80 1.50 7 -3 4 50.69 1.80 -7 -3 -4 48.40 2.10 -7 -3 -4 47.50 2.00 7 -3 4 46.80 1.80 7 3 4 47.30 2.00 -7 3 -4 47.20 1.90 -7 3 -4 48.30 2.00 7 3 4 49.00 2.00 8 -3 4 40.60 1.70 -8 -3 -4 41.70 2.20 -8 -3 -4 39.90 2.10 8 -3 4 36.30 1.80 -8 3 -4 38.70 1.90 8 3 4 39.90 2.00 -8 3 -4 40.90 2.00 8 3 4 38.10 2.00 9 -3 4 1.80 0.80 -9 -3 -4 2.30 1.00 -9 -3 -4 3.50 1.10 9 -3 4 2.60 0.80 9 3 4 2.20 1.00 -9 3 -4 2.00 0.90 9 3 4 1.20 0.90 -9 3 -4 2.80 0.90 10 -3 4 25.20 1.70 -10 -3 -4 27.00 2.30 10 -3 4 25.50 1.80 -10 -3 -4 23.30 2.30 10 3 4 26.30 2.10 -10 3 -4 23.50 2.20 10 3 4 28.60 2.10 -10 3 -4 24.80 2.10 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47.10 1.50 -3 4 4 48.90 1.00 3 4 -4 47.00 1.40 -3 4 4 46.70 1.10 2 -4 -4 523.25 8.80 -2 -4 4 546.55 9.50 -2 -4 4 547.05 9.40 -2 4 4 514.65 9.00 2 4 -4 546.55 9.30 2 4 -4 548.05 9.50 -2 4 4 529.85 9.10 1 -4 -4 39.70 1.00 1 -4 -4 38.70 1.10 -1 -4 4 40.30 1.40 -1 -4 4 40.00 1.30 1 4 -4 39.30 1.40 1 4 -4 38.40 1.20 -1 4 4 38.90 1.10 -1 4 4 39.70 1.20 0 -4 -4 214.98 4.10 0 -4 4 212.48 4.20 0 -4 4 215.38 4.20 0 -4 -4 217.68 4.00 0 4 4 215.58 4.00 0 4 4 218.58 4.10 0 4 -4 212.88 4.30 0 4 -4 213.98 4.10 1 -4 4 98.99 2.30 1 -4 4 94.99 2.30 -1 -4 -4 95.59 2.30 -1 -4 -4 98.99 2.20 1 4 4 95.39 2.20 -1 4 -4 94.89 2.40 1 4 4 97.49 2.30 -1 4 -4 96.99 2.30 2 -4 4 289.07 5.40 2 -4 4 288.97 5.40 -2 -4 -4 285.17 5.50 -2 -4 -4 290.77 5.40 -2 4 -4 289.47 5.40 -2 4 -4 286.37 5.50 2 4 4 289.97 5.40 2 4 4 289.67 5.50 3 -4 4 920.01 15.50 -3 -4 -4 898.71 15.60 -3 -4 -4 927.11 15.70 3 -4 4 906.11 15.50 -3 4 -4 915.41 15.60 3 4 4 914.31 15.60 -3 4 -4 899.61 15.50 3 4 4 905.31 15.60 4 -4 4 10.80 1.00 -4 -4 -4 12.30 1.30 -4 -4 -4 9.80 1.10 4 -4 4 11.70 1.10 4 4 4 10.30 1.20 -4 4 -4 9.80 1.20 -4 4 -4 10.90 1.10 4 4 4 9.90 1.10 5 -4 4 218.28 4.40 5 -4 4 209.58 4.30 -5 -4 -4 215.28 4.70 -5 -4 -4 216.18 4.50 5 4 4 215.28 4.50 -5 4 -4 219.18 4.60 -5 4 -4 208.08 4.40 5 4 4 221.08 4.60 6 -4 4 -0.40 0.60 6 -4 4 -0.20 0.50 -6 -4 -4 0.40 0.70 -6 -4 -4 0.30 0.70 -6 4 -4 -0.40 0.60 -6 4 -4 -0.60 0.60 6 4 4 -1.20 0.60 6 4 4 -0.30 0.70 -7 -4 -4 1.00 0.80 7 -4 4 1.80 0.70 7 -4 4 1.70 0.70 -7 -4 -4 1.50 0.80 7 4 4 2.60 0.80 -7 4 -4 2.60 0.80 7 4 4 2.10 0.80 -7 4 -4 1.40 0.80 -8 -4 -4 52.49 2.30 8 -4 4 51.29 2.00 -8 -4 -4 52.49 2.40 8 -4 4 52.09 1.90 8 4 4 50.59 2.20 8 4 4 48.40 2.20 -8 4 -4 51.59 2.20 -8 4 -4 51.49 2.20 -9 -4 -4 40.40 2.30 -9 -4 -4 43.20 2.50 9 -4 4 39.20 1.80 9 -4 4 38.00 1.90 9 4 4 38.80 2.20 -9 4 -4 42.60 2.20 -9 4 -4 36.80 2.20 9 4 4 39.00 2.20 10 -4 4 117.19 3.10 10 -4 4 118.99 3.20 -10 -4 -4 116.29 3.80 -10 -4 -4 120.79 4.00 10 4 4 117.79 3.50 10 4 4 118.79 3.60 -10 4 -4 124.19 3.80 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1.60 -13 5 4 9.10 1.00 -12 -5 4 -0.40 1.70 -12 -5 4 -1.10 1.10 -12 5 4 -0.70 0.70 12 5 -4 -0.10 0.50 -12 5 4 -0.10 0.70 12 5 -4 -0.70 0.60 -11 -5 4 89.09 3.30 -11 -5 4 93.09 3.10 11 5 -4 88.99 2.30 -11 5 4 89.29 2.40 11 5 -4 93.49 2.30 -11 5 4 88.79 2.30 -10 -5 4 0.50 0.90 -10 -5 4 -1.80 0.90 -10 5 4 0.30 0.50 10 5 -4 0.20 0.60 -10 5 4 0.80 0.50 10 5 -4 -0.90 0.60 -9 -5 4 5.20 1.00 -9 -5 4 5.00 1.10 9 5 -4 6.40 0.80 9 5 -4 5.90 0.70 -9 5 4 7.30 0.90 -9 5 4 7.80 0.80 -8 -5 4 19.10 1.50 -8 -5 4 17.40 1.70 -8 5 4 18.70 0.90 8 5 -4 20.00 1.30 8 5 -4 20.80 1.30 -8 5 4 19.60 0.90 -7 -5 4 26.00 1.70 -7 -5 4 27.90 1.60 -7 5 4 26.90 0.90 -7 5 4 25.90 0.90 7 5 -4 25.30 1.30 7 5 -4 25.50 1.30 -6 -5 4 29.00 1.60 -6 -5 4 28.40 1.50 6 5 -4 29.60 1.30 6 5 -4 28.80 1.30 -6 5 4 26.60 0.80 -6 5 4 28.90 0.80 -5 -5 4 70.19 2.10 -5 -5 4 68.89 2.20 -5 5 4 64.79 1.40 -5 5 4 68.09 1.40 5 5 -4 68.79 2.00 5 5 -4 71.99 1.90 -4 -5 4 39.40 1.60 -4 -5 4 37.80 1.50 -4 5 4 38.40 1.00 4 5 -4 38.10 1.40 4 5 -4 38.80 1.50 -3 -5 4 133.59 2.90 -3 -5 4 129.89 3.10 3 5 -4 129.79 2.90 -3 5 4 130.39 2.50 3 5 -4 127.19 3.00 -3 5 4 130.19 2.60 -2 -5 4 144.29 3.30 -2 -5 4 140.69 3.10 2 -5 -4 146.29 2.60 2 5 -4 142.79 3.30 2 5 -4 146.99 3.10 -2 5 4 145.29 2.80 -2 5 4 147.99 2.90 1 -5 -4 10.70 0.80 -1 -5 4 9.40 0.90 1 -5 -4 12.90 0.70 -1 -5 4 10.00 1.00 -1 5 4 12.20 0.90 1 5 -4 9.80 1.10 1 5 -4 10.90 0.90 -1 5 4 11.20 0.70 0 -5 -4 385.46 6.90 0 -5 4 388.36 7.10 0 -5 4 400.56 7.20 0 -5 -4 381.66 7.00 0 5 4 390.36 7.10 0 5 4 389.06 7.00 0 5 -4 386.86 7.20 0 5 -4 393.66 7.10 -1 -5 -4 64.39 1.90 1 -5 4 62.09 1.90 1 -5 4 62.29 1.80 -1 -5 -4 64.79 1.70 1 5 4 67.49 1.90 1 5 4 63.69 1.80 -1 5 -4 67.49 2.00 2 -5 4 44.10 1.60 -2 -5 -4 45.50 1.70 2 -5 4 44.90 1.60 -2 -5 -4 44.50 1.50 2 5 4 46.80 1.60 2 5 4 45.50 1.60 -2 5 -4 41.70 1.70 -2 5 -4 45.70 1.60 -3 -5 -4 1.10 0.60 -3 -5 -4 1.70 0.60 3 -5 4 0.10 0.50 3 -5 4 0.10 0.50 -3 5 -4 0.40 0.60 3 5 4 0.10 0.60 -3 5 -4 0.00 0.50 3 5 4 0.60 0.60 4 -5 4 35.00 1.50 -4 -5 -4 35.20 1.70 -4 -5 -4 36.90 1.60 4 -5 4 35.00 1.50 -4 5 -4 36.70 1.60 -4 5 -4 33.70 1.60 4 5 4 39.40 1.70 4 5 4 35.90 1.60 5 -5 4 104.89 2.60 -5 -5 -4 110.19 3.00 -5 -5 -4 108.79 2.90 5 -5 4 107.59 2.70 5 5 4 105.19 2.90 -5 5 -4 108.09 2.90 5 5 4 106.89 2.90 -5 5 -4 103.09 2.70 6 -5 4 7.10 0.80 6 -5 4 7.30 0.80 -6 -5 -4 5.70 1.00 -6 -5 -4 7.60 1.00 6 5 4 6.90 0.90 -6 5 -4 7.10 0.90 -6 5 -4 6.30 0.90 6 5 4 6.00 0.90 7 -5 4 125.19 3.00 -7 -5 -4 122.79 3.60 7 -5 4 127.39 3.10 -7 -5 -4 127.49 3.40 -7 5 -4 126.29 3.40 -7 5 -4 123.09 3.30 7 5 4 125.59 3.40 7 5 4 126.09 3.40 8 -5 4 1.50 0.80 -8 -5 -4 0.90 1.00 8 -5 4 1.20 0.70 -8 -5 -4 1.70 1.00 -8 5 -4 1.00 0.80 8 5 4 0.00 1.00 -8 5 -4 0.80 0.90 8 5 4 0.90 0.90 9 -5 4 7.90 0.90 -9 -5 -4 8.50 1.30 -9 -5 -4 7.40 1.40 9 -5 4 12.00 1.10 -9 5 -4 7.10 1.20 9 5 4 9.40 1.30 -9 5 -4 10.20 1.20 9 5 4 10.20 1.30 -10 -5 -4 0.80 1.20 10 -5 4 -1.20 0.80 10 -5 4 0.30 0.70 -10 -5 -4 1.00 1.20 -10 5 -4 -0.30 1.70 10 5 4 -0.10 1.00 -10 5 -4 -0.40 1.00 10 5 4 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26.00 1.40 -13 6 4 28.30 1.90 13 6 -4 29.50 1.50 -13 6 4 28.50 1.90 -12 -6 4 -0.10 1.20 -12 -6 4 1.20 1.30 12 6 -4 -0.50 0.70 12 6 -4 0.60 0.70 -12 6 4 -0.60 0.70 -12 6 4 0.50 0.70 -11 -6 4 0.70 1.20 -11 -6 4 1.40 1.10 11 6 -4 0.40 0.70 -11 6 4 -0.90 0.60 -11 6 4 1.00 0.60 11 6 -4 0.20 0.70 -10 -6 4 5.10 1.10 -10 -6 4 4.20 1.20 -10 6 4 5.30 0.70 10 6 -4 4.50 0.90 -10 6 4 5.50 0.70 10 6 -4 4.80 0.80 -9 -6 4 56.79 2.40 -9 -6 4 55.99 2.60 -9 6 4 54.39 1.60 -9 6 4 53.79 1.60 9 6 -4 57.09 2.00 9 6 -4 53.49 2.00 -8 -6 4 50.89 2.20 -8 -6 4 47.60 2.30 -8 6 4 49.70 1.50 8 6 -4 53.29 1.90 8 6 -4 51.49 1.90 -8 6 4 51.09 1.50 -7 -6 4 43.50 2.00 -7 -6 4 44.00 1.90 7 6 -4 42.60 1.70 -7 6 4 40.40 1.20 7 6 -4 41.10 1.70 -7 6 4 39.70 1.20 -6 -6 4 0.30 0.70 -6 -6 4 -0.10 0.60 6 6 -4 0.50 0.60 -6 6 4 0.10 0.40 -6 6 4 0.00 0.30 6 6 -4 0.10 0.60 -5 -6 4 -0.10 0.60 -5 -6 4 1.00 0.80 -5 6 4 0.60 0.30 5 6 -4 1.10 0.60 5 6 -4 1.00 0.60 -4 -6 4 9.40 0.90 -4 -6 4 7.30 0.90 -4 6 4 9.80 0.70 4 6 -4 10.50 1.20 -4 6 4 9.30 0.80 4 6 -4 6.30 0.70 -3 -6 4 836.42 14.30 3 -6 -4 808.32 13.60 -3 -6 4 845.82 14.60 3 6 -4 847.42 14.30 -3 6 4 795.32 13.90 3 6 -4 833.92 14.40 -3 6 4 820.82 14.00 2 -6 -4 269.47 4.90 -2 -6 4 273.27 5.50 2 -6 -4 278.67 4.90 -2 -6 4 271.97 5.40 -2 6 4 267.27 5.00 2 6 -4 277.77 5.50 2 6 -4 283.57 5.40 -2 6 4 280.87 5.20 1 -6 -4 3.50 0.40 -1 -6 4 2.70 0.70 1 -6 -4 3.10 0.50 -1 -6 4 2.70 0.60 -1 6 4 2.60 0.50 1 6 -4 2.20 0.60 1 6 -4 2.80 0.70 -1 6 4 3.50 0.60 0 -6 -4 45.40 1.60 0 -6 -4 41.50 1.30 0 -6 4 42.50 1.60 0 6 4 44.10 1.60 0 6 -4 43.70 1.70 0 6 -4 41.00 1.60 0 6 4 43.90 1.50 -1 -6 -4 1.40 0.60 1 -6 4 1.40 0.60 -1 -6 -4 1.60 0.50 1 -6 4 0.00 0.50 1 6 4 1.40 0.50 1 6 4 1.70 0.60 -1 6 -4 0.80 0.50 -1 6 -4 1.00 0.60 2 -6 4 0.30 0.60 -2 -6 -4 0.70 0.50 2 -6 4 0.50 0.50 -2 -6 -4 1.10 0.60 2 6 4 1.20 0.60 -2 6 -4 1.00 0.60 2 6 4 1.50 0.60 3 -6 4 130.39 3.10 -3 -6 -4 131.79 3.30 -3 -6 -4 133.89 3.10 3 -6 4 133.79 3.10 3 6 4 133.79 3.20 3 6 4 135.39 3.20 -3 6 -4 132.49 3.30 -3 6 -4 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148.99 2.80 3 -7 -4 147.19 2.80 -3 7 4 149.09 3.30 3 7 -4 151.18 3.50 3 7 -4 151.78 3.70 -3 7 4 148.89 3.10 2 -7 -4 40.80 1.30 -2 -7 4 45.80 1.80 2 -7 -4 46.00 1.40 -2 -7 4 42.20 1.90 -2 7 4 41.30 1.50 -2 7 4 40.80 1.70 2 7 -4 47.20 1.80 2 7 -4 46.10 1.90 1 -7 -4 56.69 1.70 -1 -7 4 56.49 2.10 -1 -7 4 59.29 1.90 1 -7 -4 57.39 1.60 1 7 -4 56.69 2.10 1 7 -4 58.09 1.90 -1 7 4 55.19 1.90 -1 7 4 55.79 1.70 0 -7 4 1.20 0.60 0 -7 -4 2.70 0.60 0 -7 -4 2.70 0.50 0 7 -4 1.70 0.60 0 7 4 2.30 0.60 0 7 -4 1.70 0.70 0 7 4 2.30 0.70 -1 -7 -4 217.88 4.60 1 -7 4 215.78 4.50 -1 -7 -4 218.78 4.40 1 -7 4 215.28 4.60 -1 7 -4 222.08 4.60 1 7 4 226.18 4.60 1 7 4 216.78 4.50 -1 7 -4 219.58 4.80 -2 -7 -4 2.00 0.70 2 -7 4 2.60 0.70 -2 -7 -4 2.70 0.60 2 -7 4 1.90 0.60 2 7 4 1.90 0.60 2 7 4 3.40 0.80 -2 7 -4 1.80 0.70 -2 7 -4 2.60 0.70 3 -7 4 53.29 1.90 3 -7 4 55.99 2.00 -3 -7 -4 58.39 2.00 -3 -7 -4 57.09 2.20 3 7 4 58.49 2.10 3 7 4 57.49 2.10 4 -7 4 0.00 0.60 -4 -7 -4 0.90 0.70 4 -7 4 1.10 0.60 -4 -7 -4 1.20 0.80 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233.18 4.50 2 8 -4 234.58 5.10 -2 8 4 230.78 4.80 2 8 -4 237.68 4.90 -2 8 4 221.88 4.60 1 -8 -4 5.30 0.70 -1 -8 4 6.00 0.90 -1 -8 4 5.30 0.90 1 -8 -4 5.90 0.60 1 8 -4 5.50 0.80 -1 8 4 5.10 0.70 1 8 -4 5.70 1.00 -1 8 4 5.20 0.80 0 -8 4 1.00 0.70 0 -8 -4 1.00 0.70 0 -8 -4 1.50 0.60 0 8 -4 0.30 0.80 0 8 4 0.90 0.60 0 8 -4 0.70 0.70 0 8 4 0.80 0.70 -1 -8 -4 92.89 2.40 1 -8 4 90.89 2.60 1 -8 4 87.39 2.70 -1 -8 -4 91.99 2.70 1 8 4 89.99 2.70 1 8 4 93.69 2.60 -1 8 -4 91.59 2.90 -1 8 -4 95.89 2.60 2 -8 4 -1.10 0.70 -2 -8 -4 1.30 0.60 2 -8 4 -0.20 0.60 -2 -8 -4 -0.40 0.70 2 8 4 1.70 0.80 2 8 4 0.70 0.70 -2 8 -4 -0.50 0.60 -2 8 -4 -0.70 0.80 -3 -8 -4 43.70 2.10 3 -8 4 40.70 1.80 3 -8 4 41.60 1.80 -3 -8 -4 42.60 1.80 -3 8 -4 42.30 1.80 -3 8 -4 41.10 2.00 3 8 4 42.30 1.90 3 8 4 43.10 2.00 -4 -8 -4 2.80 1.00 4 -8 4 2.80 0.80 4 -8 4 2.80 0.80 -4 -8 -4 3.00 0.80 4 8 4 3.00 0.90 -4 8 -4 3.40 1.00 4 8 4 2.30 0.80 -4 8 -4 3.30 0.90 -5 -8 -4 64.79 2.70 5 -8 4 65.39 2.20 5 -8 4 67.39 2.30 -5 -8 -4 60.79 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9 9 -4 2.10 1.00 9 9 -4 1.90 1.00 -9 9 4 1.90 0.80 -9 9 4 1.50 0.70 -8 -9 4 11.10 1.60 -8 -9 4 9.30 1.60 8 9 -4 10.00 1.20 -8 9 4 9.00 0.90 8 9 -4 10.90 1.30 -7 -9 4 13.60 1.50 -7 -9 4 11.30 1.50 -7 9 4 15.50 1.40 -7 9 4 12.10 1.30 7 9 -4 13.10 1.70 7 9 -4 15.90 1.80 -6 -9 4 1.00 0.90 -6 -9 4 1.10 1.10 -6 9 4 0.00 0.60 6 9 -4 0.20 0.90 -6 9 4 0.20 0.70 6 9 -4 0.90 0.80 -5 -9 4 24.10 2.10 -5 -9 4 26.70 1.90 5 9 -4 27.90 1.80 5 9 -4 31.50 2.00 -5 9 4 28.00 1.60 -5 9 4 25.30 1.40 4 -9 -4 11.80 0.70 4 -9 -4 12.70 0.70 -4 -9 4 11.50 1.20 -4 -9 4 10.80 1.20 4 9 -4 11.40 1.30 4 9 -4 11.20 1.50 -4 9 4 11.70 1.20 -4 9 4 13.30 1.40 -3 -9 4 4.60 1.00 3 -9 -4 6.00 0.80 3 -9 -4 5.30 0.60 -3 -9 4 5.90 1.00 -3 9 4 4.00 0.70 3 9 -4 6.00 1.10 3 9 -4 4.40 0.90 -3 9 4 4.20 0.90 -2 -9 4 19.80 1.60 2 -9 -4 19.50 1.20 -2 -9 4 21.60 1.80 2 -9 -4 21.60 1.30 2 9 -4 20.50 1.60 -2 9 4 18.50 1.60 2 9 -4 21.70 1.90 -2 9 4 19.10 1.40 -1 -9 4 138.49 3.70 1 -9 -4 132.49 3.10 -1 -9 4 137.19 3.50 1 -9 -4 132.49 3.30 -1 9 4 135.59 3.30 -1 9 4 134.59 3.50 1 9 -4 139.39 3.50 1 9 -4 141.19 3.80 0 -9 4 12.80 1.50 0 -9 -4 16.20 1.20 0 -9 -4 14.80 1.50 0 9 -4 11.60 1.50 0 9 4 13.80 1.50 0 9 4 18.10 1.40 0 9 -4 15.30 1.70 1 -9 4 39.00 2.00 -1 -9 -4 41.60 1.70 -1 -9 -4 41.90 2.00 1 -9 4 38.80 1.90 1 9 4 41.30 1.80 1 9 4 43.10 2.00 -1 9 -4 35.60 1.90 -1 9 -4 37.60 2.10 2 -9 4 -1.10 0.70 -2 -9 -4 0.30 0.80 -2 -9 -4 1.20 0.80 2 -9 4 -1.30 0.70 -2 9 -4 -1.30 0.70 2 9 4 0.00 0.80 2 9 4 0.90 0.80 -2 9 -4 0.60 0.90 -3 -9 -4 12.10 1.50 -3 -9 -4 12.50 1.70 3 -9 4 10.70 1.40 3 -9 4 11.00 1.40 -3 9 -4 8.10 1.00 3 9 4 10.60 1.10 -3 9 -4 11.90 1.30 3 9 4 9.60 1.10 4 -9 4 1.10 0.70 -4 -9 -4 0.40 0.80 -4 -9 -4 1.70 1.00 4 -9 4 1.20 0.80 4 9 4 1.30 1.00 4 9 4 0.50 0.90 -4 9 -4 1.30 0.80 -4 9 -4 2.40 1.00 5 -9 4 17.90 1.60 -5 -9 -4 18.70 1.80 -5 -9 -4 18.10 2.10 5 -9 4 20.10 1.60 -5 9 -4 18.00 1.70 5 9 4 19.20 2.00 5 9 4 16.90 1.90 -5 9 -4 15.70 1.90 6 -9 4 3.40 0.90 -6 -9 -4 2.10 1.20 -6 -9 -4 1.80 1.20 6 -9 4 3.50 0.80 6 9 4 3.30 1.10 -6 9 -4 3.10 1.10 6 9 4 2.90 1.10 -6 9 -4 3.20 1.00 7 -9 4 58.89 2.40 -7 -9 -4 62.29 3.10 7 -9 4 57.69 2.20 7 9 4 65.39 2.90 -7 9 -4 61.89 2.90 7 9 4 54.59 3.30 -7 9 -4 60.09 2.60 -8 -9 -4 23.90 2.60 8 -9 4 19.20 1.60 8 -9 4 19.50 1.80 8 9 4 25.00 2.30 -8 9 -4 18.90 2.00 8 9 4 27.30 2.40 9 -9 4 -0.60 0.90 9 -9 4 -0.80 0.70 -9 -9 -4 -1.50 1.40 9 9 4 1.10 1.30 9 9 4 -0.50 1.20 -9 9 -4 -0.50 1.20 -9 9 -4 -0.30 1.00 -10 -9 -4 -0.70 1.50 10 -9 4 -0.50 0.70 -10 -9 -4 1.30 1.40 10 -9 4 0.80 0.90 10 9 4 -0.20 1.20 -10 9 -4 -0.70 1.30 10 9 4 -3.10 2.40 -10 9 -4 -2.30 1.10 11 -9 4 0.40 0.80 -11 -9 -4 0.60 1.60 11 -9 4 0.10 0.90 -11 -9 -4 0.20 1.90 11 9 4 -1.80 1.50 -11 9 -4 -1.90 1.50 -11 9 -4 -0.40 1.60 12 -9 4 2.30 0.90 -12 -9 -4 -1.50 1.80 12 -9 4 0.70 0.70 -12 -9 -4 0.70 2.20 12 9 4 1.20 1.90 12 9 4 0.80 1.70 -12 9 -4 3.40 1.40 -12 9 -4 0.20 1.70 -13 -9 -4 18.10 3.00 -13 -9 -4 17.50 2.50 13 9 4 14.10 2.20 -13 9 -4 11.30 1.80 -13 9 -4 13.00 2.20 13 9 4 17.50 2.20 -14 -9 -4 9.90 2.80 14 9 4 1.30 2.00 -14 9 -4 1.40 2.20 14 9 4 6.00 2.10 -14 9 -4 4.00 1.80 -14 -10 4 -0.20 2.30 -14 -10 4 1.30 2.10 -14 10 4 3.50 1.80 -14 10 4 0.20 1.20 14 10 -4 -0.10 1.30 14 10 -4 1.00 1.40 -13 -10 4 13.20 2.50 -13 -10 4 10.30 2.00 -13 10 4 11.80 1.60 13 10 -4 9.90 1.70 -13 10 4 10.40 1.30 13 10 -4 9.30 1.50 -12 -10 4 -0.80 1.70 -12 -10 4 0.30 1.90 -12 10 4 0.70 1.10 -12 10 4 0.50 0.90 12 10 -4 1.10 1.10 12 10 -4 -0.10 1.20 -11 -10 4 -1.30 1.40 -11 -10 4 3.40 1.70 11 10 -4 -1.10 1.20 11 10 -4 0.10 1.10 -11 10 4 0.20 1.00 -11 10 4 0.10 0.90 -10 -10 4 6.60 2.70 -10 -10 4 3.30 1.40 10 10 -4 2.20 1.10 10 10 -4 3.80 1.20 -10 10 4 2.50 0.90 -9 -10 4 141.69 4.40 -9 -10 4 143.59 4.70 9 10 -4 140.79 4.10 -9 10 4 138.89 3.50 9 10 -4 137.69 4.00 -8 -10 4 7.10 1.40 -8 -10 4 9.00 1.60 -8 10 4 3.90 0.90 -8 10 4 6.20 1.00 8 10 -4 7.60 1.30 8 10 -4 7.10 1.20 -7 -10 4 71.29 3.30 -7 10 4 65.79 2.30 7 10 -4 73.39 2.80 7 10 -4 71.09 2.90 -7 10 4 70.89 2.50 -6 -10 4 -0.30 1.00 -6 -10 4 0.60 1.10 6 10 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18.70 1.80 1 -10 4 16.40 1.70 1 10 4 20.90 1.80 -1 10 -4 16.20 1.70 1 10 4 19.20 1.70 -1 10 -4 18.50 2.00 -2 -10 -4 1.30 0.80 2 -10 4 2.00 0.90 2 -10 4 1.00 0.90 -2 -10 -4 0.80 0.90 -2 10 -4 0.60 1.00 2 10 4 0.90 0.80 -2 10 -4 -0.80 0.80 2 10 4 1.10 1.00 -3 -10 -4 36.70 2.30 3 -10 4 35.10 2.00 -3 -10 -4 37.60 2.00 3 -10 4 37.60 2.00 -3 10 -4 36.20 2.30 3 10 4 38.00 2.10 3 10 4 36.10 2.20 -3 10 -4 34.20 2.00 -4 -10 -4 11.50 1.50 4 -10 4 14.00 1.70 -4 -10 -4 7.60 1.10 4 -10 4 13.10 1.60 4 10 4 9.50 1.30 -4 10 -4 9.00 1.20 4 10 4 10.70 1.40 -4 10 -4 11.20 1.40 5 -10 4 24.30 1.90 5 -10 4 28.00 1.80 -5 -10 -4 24.30 2.00 -5 -10 -4 24.40 2.30 -5 10 -4 28.00 2.00 5 10 4 26.30 2.20 5 10 4 23.00 2.10 -6 -10 -4 0.90 1.10 6 -10 4 1.50 0.80 6 -10 4 0.40 0.90 -6 -10 -4 1.90 1.20 6 10 4 -0.70 1.00 -6 10 -4 0.60 1.00 6 10 4 -0.40 1.20 -7 -10 -4 1.80 1.40 7 -10 4 2.40 1.00 7 -10 4 2.20 0.80 7 10 4 2.00 1.10 -7 10 -4 3.80 1.10 7 10 4 2.80 1.20 8 -10 4 21.10 1.90 8 -10 4 20.00 1.70 8 10 4 17.70 2.30 -8 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13.80 1.60 3 -11 -4 11.70 1.30 3 11 -4 9.80 1.20 -3 11 4 13.10 1.60 -3 11 4 10.60 1.30 3 11 -4 12.70 1.60 2 -11 -4 -0.20 0.70 -2 -11 4 -0.70 1.00 2 -11 -4 -0.10 0.60 -2 -11 4 0.80 1.00 2 11 -4 -0.60 1.10 2 11 -4 -0.30 0.90 -2 11 4 0.30 1.00 -2 11 4 -1.00 0.80 -1 -11 4 52.29 2.50 1 -11 -4 51.79 2.00 1 -11 -4 49.40 2.20 -1 -11 4 53.69 2.60 1 11 -4 50.29 2.70 -1 11 4 54.19 2.50 1 11 -4 49.30 2.40 -1 11 4 52.29 2.20 0 -11 -4 86.09 2.60 0 -11 -4 88.29 2.90 0 -11 4 84.19 2.90 0 11 4 87.19 2.80 0 11 -4 82.39 2.90 0 11 4 88.29 3.10 0 11 -4 80.89 3.30 1 -11 4 194.88 4.70 -1 -11 -4 196.28 4.80 -1 -11 -4 193.58 4.50 1 -11 4 191.88 4.80 -1 11 -4 196.38 4.70 -1 11 -4 190.08 5.00 1 11 4 195.58 4.90 1 11 4 192.38 4.70 -2 -11 -4 10.90 1.40 -2 -11 -4 8.50 1.10 2 -11 4 14.10 1.80 2 -11 4 11.60 1.30 -2 11 -4 9.00 1.50 2 11 4 9.30 1.40 2 11 4 10.60 1.30 -2 11 -4 8.70 1.20 -3 -11 -4 20.30 1.90 3 -11 4 20.50 1.90 3 -11 4 16.40 1.80 -3 -11 -4 21.40 2.20 3 11 4 20.40 2.00 3 11 4 18.20 2.20 -3 11 -4 20.90 2.00 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1.10 11 -11 4 7.90 1.00 -11 11 -4 6.60 1.60 11 11 4 6.20 2.00 11 11 4 6.30 1.90 -11 11 -4 8.90 2.10 12 -11 4 1.00 0.70 -12 -11 -4 2.20 2.20 -12 -11 -4 0.60 2.60 12 -11 4 1.30 0.70 -12 11 -4 -0.30 1.60 -12 11 -4 6.50 2.30 12 11 4 -4.40 2.00 12 11 4 8.20 2.10 -13 -11 -4 5.50 2.90 -13 11 -4 2.50 1.90 -13 11 -4 6.80 2.60 13 11 4 1.80 2.30 13 11 4 4.20 2.10 -13 -12 4 23.80 3.30 -13 -12 4 18.10 2.50 -13 12 4 26.90 2.50 13 12 -4 18.50 2.20 -12 -12 4 0.00 1.80 -12 -12 4 1.80 2.40 -12 12 4 0.10 1.20 12 12 -4 -1.00 1.60 -11 -12 4 -1.90 1.90 -11 -12 4 1.20 1.80 11 12 -4 1.50 1.60 -11 12 4 1.40 1.40 -11 12 4 2.10 1.10 11 12 -4 0.30 1.60 -10 -12 4 6.00 1.80 -10 -12 4 3.40 1.90 10 12 -4 0.60 1.50 -10 12 4 4.00 1.30 10 12 -4 1.10 1.30 -10 12 4 2.20 1.10 -9 -12 4 37.70 3.40 -9 -12 4 31.90 3.10 9 12 -4 32.90 2.90 -9 12 4 37.20 2.20 9 12 -4 37.30 2.70 -9 12 4 31.70 2.60 -8 -12 4 17.40 2.30 -8 -12 4 20.90 2.80 8 12 -4 25.10 2.40 8 12 -4 23.30 2.60 -8 12 4 21.40 2.30 -8 12 4 22.20 2.00 -7 -12 4 15.70 2.10 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35.90 2.00 0 12 4 34.70 2.50 0 12 -4 31.50 2.30 0 12 -4 30.00 2.70 0 12 4 34.80 2.30 -1 -12 -4 32.50 2.50 1 -12 4 35.20 2.40 -1 -12 -4 39.50 2.20 1 -12 4 33.90 2.50 -1 12 -4 36.30 2.40 1 12 4 37.30 2.40 1 12 4 36.60 2.60 -1 12 -4 32.30 2.80 -2 -12 -4 4.50 1.10 -2 -12 -4 0.60 1.30 2 -12 4 7.80 1.40 2 -12 4 5.80 1.20 2 12 4 4.60 1.60 2 12 4 3.90 1.30 -2 12 -4 7.90 1.30 -2 12 -4 5.50 1.80 3 -12 4 32.60 2.30 -3 -12 -4 30.60 2.60 3 -12 4 31.50 2.10 -3 -12 -4 26.90 2.20 3 12 4 26.80 2.50 3 12 4 29.60 2.40 -3 12 -4 33.90 2.30 4 -12 4 30.70 2.10 -4 -12 -4 30.10 2.30 -4 -12 -4 27.70 2.70 4 -12 4 33.60 2.30 -4 12 -4 31.50 2.70 -4 12 -4 30.30 2.30 4 12 4 28.70 2.40 -5 -12 -4 -0.50 1.20 -5 -12 -4 0.10 1.20 5 -12 4 -0.10 1.00 5 -12 4 -0.10 0.90 5 12 4 -0.50 1.10 -5 12 -4 -0.30 1.40 -5 12 -4 1.20 1.10 6 -12 4 1.00 0.90 -6 -12 -4 -0.20 1.00 6 -12 4 2.20 1.10 -6 -12 -4 3.60 2.30 -6 12 -4 -0.20 1.40 -6 12 -4 0.90 1.10 6 12 4 0.20 1.70 6 12 4 1.20 1.10 7 -12 4 5.20 1.20 -7 -12 -4 6.70 1.80 7 -12 4 5.80 1.10 -7 12 -4 7.60 1.40 7 12 4 5.60 1.50 -7 12 -4 5.90 1.70 8 -12 4 3.30 1.00 8 -12 4 4.40 1.20 -8 -12 -4 3.90 1.90 -8 12 -4 3.50 1.70 8 12 4 1.50 2.40 8 12 4 2.60 1.50 -9 -12 -4 18.60 2.50 -9 -12 -4 31.80 3.70 9 -12 4 27.20 1.90 9 -12 4 25.10 2.20 -9 12 -4 27.10 2.60 9 12 4 27.00 3.10 9 12 4 27.00 3.10 -10 -12 -4 0.40 2.10 10 -12 4 4.80 1.20 10 -12 4 3.20 1.00 -10 -12 -4 3.90 1.70 10 12 4 2.30 1.80 -10 12 -4 4.30 1.50 10 12 4 3.00 1.70 -10 12 -4 4.40 1.80 -11 -12 -4 1.40 1.80 11 -12 4 0.60 0.80 -11 -12 -4 -3.10 2.30 11 -12 4 0.70 1.00 -11 12 -4 -1.50 1.40 -11 12 -4 1.90 2.10 11 12 4 0.40 1.90 11 12 4 -1.70 1.80 -12 -12 -4 2.40 2.80 12 -12 4 2.10 0.60 12 12 4 6.00 2.30 12 12 4 1.00 2.30 -12 12 -4 8.20 2.40 -12 12 -4 2.80 1.80 -13 -13 4 6.40 2.80 -13 13 4 3.00 1.40 -13 13 4 -3.70 1.90 13 13 -4 0.90 1.80 -12 -13 4 -2.60 2.10 -12 -13 4 -0.90 2.40 -12 13 4 -0.70 1.70 12 13 -4 -0.60 1.60 -12 13 4 1.50 1.30 -11 -13 4 16.90 2.40 -11 -13 4 21.50 2.90 11 13 -4 25.10 3.10 -11 13 4 20.70 2.40 -11 13 4 19.90 2.10 -10 -13 4 36.30 3.50 -10 -13 4 36.00 4.20 -10 13 4 38.10 2.50 10 13 -4 31.10 3.00 -9 -13 4 1.10 1.70 -9 -13 4 0.10 1.80 -9 13 4 -1.10 1.30 9 13 -4 1.10 1.60 9 13 -4 0.40 1.30 -9 13 4 1.20 1.10 -8 -13 4 1.40 1.80 -8 -13 4 0.30 1.70 -8 13 4 1.00 1.30 -8 13 4 2.40 1.10 8 13 -4 2.40 2.20 8 13 -4 0.10 1.40 -7 -13 4 1.70 1.50 -7 -13 4 0.50 1.20 7 13 -4 -1.80 1.30 -7 13 4 0.60 1.00 7 13 -4 0.90 1.20 -7 13 4 0.30 1.20 6 13 -4 30.20 2.80 -6 13 4 28.60 2.10 6 13 -4 31.70 2.50 -6 13 4 28.40 2.50 5 -13 -4 4.70 0.60 -5 -13 4 7.10 1.60 5 -13 -4 4.50 0.60 -5 13 4 6.00 1.40 5 13 -4 4.60 1.50 -5 13 4 3.60 1.10 5 13 -4 4.30 1.30 4 -13 -4 4.50 0.80 -4 -13 4 8.20 1.50 4 -13 -4 5.10 0.80 4 13 -4 5.90 1.40 -4 13 4 5.10 1.30 4 13 -4 5.30 1.50 -4 13 4 3.80 1.10 -3 -13 4 1.00 1.20 3 -13 -4 0.50 0.70 -3 -13 4 0.00 1.10 3 -13 -4 -0.50 0.80 3 13 -4 0.90 1.50 3 13 -4 -0.70 1.10 -3 13 4 -0.60 1.20 -3 13 4 1.10 1.00 -2 -13 4 4.60 1.30 -2 -13 4 2.80 1.20 2 -13 -4 4.90 0.90 2 13 -4 3.40 1.50 2 13 -4 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1.10 12 10 -5 7.40 1.40 12 10 -5 8.00 1.30 -12 10 5 10.20 1.30 -11 -10 5 11.00 2.00 -11 -10 5 10.90 1.70 11 10 -5 8.60 1.30 11 10 -5 10.60 1.50 -11 10 5 11.90 1.60 -10 -10 5 13.70 3.00 -10 -10 5 16.10 1.90 10 10 -5 9.90 1.30 10 10 -5 9.10 1.40 -10 10 5 14.10 1.60 -9 -10 5 1.80 1.40 -9 -10 5 3.40 1.30 9 10 -5 2.10 1.10 -9 10 5 2.50 0.80 -9 10 5 2.00 0.90 9 10 -5 1.60 1.10 -8 -10 5 37.50 2.60 -8 -10 5 38.40 2.90 8 10 -5 39.90 2.40 -8 10 5 34.10 1.80 -8 10 5 37.40 2.00 8 10 -5 38.00 2.30 -7 -10 5 47.10 2.90 -7 -10 5 43.80 3.40 -7 10 5 45.10 1.90 -7 10 5 47.90 2.10 7 10 -5 48.40 2.50 7 10 -5 51.29 2.40 -6 -10 5 22.30 2.10 -6 -10 5 25.20 2.40 -6 10 5 24.50 1.50 6 10 -5 24.80 1.90 6 10 -5 25.50 2.20 -6 10 5 25.40 1.70 -5 -10 5 0.70 1.00 -5 -10 5 2.00 1.10 5 10 -5 1.40 1.10 -5 10 5 2.00 0.80 5 10 -5 0.60 0.90 -5 10 5 1.50 0.70 -4 -10 5 10.50 1.30 -4 -10 5 7.10 1.20 4 -10 -5 8.50 0.70 4 -10 -5 8.40 0.70 4 10 -5 7.60 1.10 4 10 -5 9.80 1.40 -4 10 5 10.00 1.10 -4 10 5 9.70 1.00 -3 -10 5 2.30 1.00 3 -10 -5 1.30 0.60 3 -10 -5 2.40 0.50 -3 -10 5 1.70 1.10 3 10 -5 1.40 1.10 -3 10 5 1.60 0.80 3 10 -5 1.30 0.90 -3 10 5 2.60 0.90 2 -10 -5 9.80 1.30 -2 -10 5 8.30 1.20 2 -10 -5 8.40 1.10 -2 -10 5 7.10 1.20 2 10 -5 10.80 1.40 -2 10 5 9.60 1.00 2 10 -5 8.60 1.10 -2 10 5 9.50 1.10 1 -10 -5 7.60 1.00 1 -10 -5 10.60 1.20 -1 -10 5 6.30 1.10 -1 -10 5 7.40 1.20 -1 10 5 8.90 1.10 -1 10 5 7.90 1.10 1 10 -5 7.20 1.10 1 10 -5 6.50 1.20 0 -10 5 144.39 3.80 0 -10 -5 145.29 3.40 0 -10 5 149.79 4.00 0 -10 -5 148.69 3.80 0 10 5 151.08 3.90 0 10 5 146.79 3.70 0 10 -5 146.69 4.20 0 10 -5 147.69 3.80 -1 -10 -5 44.40 1.90 -1 -10 -5 42.10 2.20 1 -10 5 41.80 2.20 1 -10 5 38.90 2.20 1 10 5 45.10 2.10 -1 10 -5 40.60 2.20 1 10 5 45.00 2.30 -1 10 -5 42.40 2.50 2 -10 5 12.80 1.30 -2 -10 -5 15.80 1.60 -2 -10 -5 11.50 1.40 2 -10 5 11.20 1.30 -2 10 -5 11.70 1.50 -2 10 -5 13.40 1.70 2 10 5 14.00 1.90 2 10 5 13.60 1.70 3 -10 5 1.10 0.90 3 -10 5 1.90 0.90 -3 -10 -5 2.30 0.90 -3 -10 -5 2.10 1.10 3 10 5 2.50 1.00 -3 10 -5 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1.20 11 -10 5 2.40 1.00 11 10 5 0.80 1.80 11 10 5 3.40 1.80 -11 10 -5 1.50 1.50 -11 10 -5 2.10 1.80 12 -10 5 19.00 2.20 12 -10 5 18.40 1.80 -12 -10 -5 9.80 2.60 -12 -10 -5 19.10 2.70 12 10 5 12.50 2.20 12 10 5 11.20 2.20 -12 10 -5 24.20 3.20 -12 10 -5 31.60 4.00 -13 -10 -5 0.70 2.50 13 -10 5 1.60 0.80 13 10 5 -3.80 2.00 13 10 5 2.30 2.00 -13 10 -5 1.40 2.30 -13 10 -5 2.50 1.90 -14 -11 5 15.40 3.00 -14 -11 5 17.40 2.60 14 11 -5 12.00 1.80 14 11 -5 12.70 1.60 -14 11 5 19.10 2.40 -13 -11 5 3.70 2.40 -13 -11 5 1.20 2.00 13 11 -5 2.30 1.40 -13 11 5 3.40 1.10 13 11 -5 1.10 2.60 -12 -11 5 5.40 1.90 -12 -11 5 -1.00 1.90 12 11 -5 -0.90 1.30 -12 11 5 1.70 1.10 -11 -11 5 2.40 1.90 -11 -11 5 2.80 1.60 -11 11 5 2.00 1.00 11 11 -5 1.20 1.20 -10 -11 5 3.80 1.60 -10 -11 5 1.10 1.60 -10 11 5 3.00 1.10 10 11 -5 4.00 1.20 -10 11 5 3.70 1.00 -9 -11 5 2.50 1.40 -9 11 5 1.70 1.10 9 11 -5 3.50 1.20 -9 11 5 2.00 0.90 9 11 -5 3.80 1.50 -8 -11 5 149.09 4.90 -8 -11 5 150.58 4.50 8 11 -5 156.98 4.40 -8 11 5 139.79 3.70 -8 11 5 138.69 3.90 8 11 -5 151.28 4.20 -7 -11 5 3.80 1.40 -7 -11 5 1.90 1.20 -7 11 5 3.00 0.90 7 11 -5 2.70 1.10 7 11 -5 4.90 1.30 -7 11 5 2.30 1.00 -6 -11 5 0.10 1.10 -6 -11 5 2.10 1.30 -6 11 5 -0.60 0.80 6 11 -5 0.60 1.10 6 11 -5 -0.10 1.00 -6 11 5 0.70 0.90 -5 -11 5 1.50 1.20 -5 11 5 -0.80 0.90 -5 11 5 -1.20 0.70 5 11 -5 0.20 1.20 5 11 -5 -0.60 0.90 -4 -11 5 32.20 2.40 -4 -11 5 31.40 2.20 4 -11 -5 31.50 1.20 4 -11 -5 32.00 1.20 4 11 -5 35.00 2.60 4 11 -5 32.80 2.20 -4 11 5 36.60 2.20 -4 11 5 31.50 1.80 -3 -11 5 3.70 1.10 3 -11 -5 5.60 0.70 3 -11 -5 4.70 0.80 -3 -11 5 4.90 1.20 -3 11 5 5.70 1.00 3 11 -5 7.00 1.40 3 11 -5 4.40 1.10 -3 11 5 4.20 1.00 -2 -11 5 118.39 3.60 2 -11 -5 117.19 3.00 2 -11 -5 113.69 2.80 -2 -11 5 118.89 3.70 2 11 -5 110.89 3.80 -2 11 5 119.49 3.50 2 11 -5 113.69 3.50 -2 11 5 113.29 3.20 -1 -11 5 0.40 1.10 1 -11 -5 1.10 0.80 -1 -11 5 1.10 1.10 1 -11 -5 1.80 0.70 -1 11 5 0.80 1.00 1 11 -5 0.50 1.20 -1 11 5 1.10 0.90 1 11 -5 -1.50 0.90 0 -11 5 0.50 1.10 0 -11 -5 1.90 1.00 0 -11 5 -0.90 1.10 0 -11 -5 3.10 0.80 0 11 -5 0.80 1.00 0 11 -5 -0.50 1.20 0 11 5 2.40 1.00 0 11 5 1.60 0.90 1 -11 5 4.00 1.10 1 -11 5 3.50 1.10 -1 -11 -5 5.80 1.00 -1 -11 -5 5.10 1.20 -1 11 -5 4.70 1.30 -1 11 -5 4.40 1.10 1 11 5 4.10 1.20 1 11 5 4.90 1.10 2 -11 5 267.97 5.90 -2 -11 -5 266.67 6.20 2 -11 5 261.17 5.90 -2 -11 -5 266.37 5.70 -2 11 -5 268.67 6.00 2 11 5 265.97 6.10 2 11 5 269.47 6.00 -2 11 -5 265.97 6.40 -3 -11 -5 9.70 1.30 3 -11 5 8.40 1.20 3 -11 5 10.70 1.30 -3 -11 -5 11.40 1.60 -3 11 -5 9.70 1.20 3 11 5 10.80 1.70 -3 11 -5 6.70 1.40 3 11 5 7.30 1.30 4 -11 5 3.10 1.00 -4 -11 -5 1.40 1.40 4 -11 5 4.30 1.10 -4 -11 -5 1.90 1.30 -4 11 -5 2.70 1.10 4 11 5 1.60 1.20 4 11 5 -0.40 1.10 -5 -11 -5 0.10 1.20 -5 -11 -5 0.90 1.00 5 -11 5 0.60 1.00 5 -11 5 1.30 0.90 -5 11 -5 0.70 1.00 5 11 5 -0.60 1.20 -5 11 -5 1.10 1.40 5 11 5 1.60 1.10 6 -11 5 0.30 0.90 6 -11 5 0.40 1.00 -6 -11 -5 0.40 1.40 -6 -11 -5 0.40 1.10 6 11 5 0.40 1.30 -6 11 -5 2.00 1.20 6 11 5 1.00 1.30 7 -11 5 1.80 1.10 -7 -11 -5 -0.10 1.50 7 -11 5 1.00 0.90 -7 11 -5 0.90 1.10 7 11 5 -0.40 1.20 7 11 5 0.80 2.40 8 -11 5 57.49 2.80 -8 -11 -5 55.89 3.80 8 -11 5 54.99 2.40 -8 11 -5 51.59 3.00 -8 11 -5 60.79 3.50 8 11 5 59.69 3.40 9 -11 5 1.40 1.20 9 -11 5 1.00 0.90 -9 -11 -5 0.80 1.80 9 11 5 -1.60 1.50 -9 11 -5 0.60 1.20 -9 11 -5 3.30 1.70 9 11 5 -1.90 1.50 10 -11 5 27.20 2.00 10 -11 5 32.20 2.60 -10 -11 -5 37.10 4.10 -10 -11 -5 32.40 3.40 10 11 5 29.20 3.40 -10 11 -5 30.70 3.60 10 11 5 27.20 3.30 -10 11 -5 30.10 2.90 -11 -11 -5 0.00 2.30 11 -11 5 0.30 1.20 11 -11 5 0.20 1.00 -11 -11 -5 -1.70 1.80 -11 11 -5 1.50 1.60 11 11 5 0.80 1.80 -11 11 -5 1.70 2.10 11 11 5 -0.50 2.00 12 -11 5 1.90 1.20 -12 -11 -5 -1.40 2.70 12 -11 5 2.80 1.00 -12 11 -5 -0.40 1.70 12 11 5 2.40 1.90 12 11 5 2.60 2.30 -12 11 -5 2.00 2.30 -13 -12 5 -0.30 2.50 -13 -12 5 -2.00 2.10 13 12 -5 -1.10 1.50 13 12 -5 -0.10 1.70 -13 12 5 1.30 1.20 -13 12 5 -1.80 1.70 -12 -12 5 8.80 2.40 -12 -12 5 5.00 2.00 -12 12 5 8.70 1.30 -12 12 5 5.10 1.70 12 12 -5 1.70 1.60 12 12 -5 1.80 1.50 -11 -12 5 -1.20 1.80 -11 -12 5 -2.40 1.90 -11 12 5 -0.70 1.30 -11 12 5 2.00 1.10 11 12 -5 1.30 1.60 11 12 -5 -2.40 1.30 -10 -12 5 7.20 1.90 -10 -12 5 8.10 2.00 -10 12 5 8.00 1.40 -10 12 5 10.90 1.30 10 12 -5 7.50 1.60 10 12 -5 11.50 1.60 -9 -12 5 1.10 1.50 -9 -12 5 1.50 1.70 -9 12 5 1.90 1.20 9 12 -5 1.70 1.20 9 12 -5 1.30 1.40 -9 12 5 1.40 1.00 -8 -12 5 14.60 1.80 -8 -12 5 16.50 2.20 -8 12 5 16.80 1.90 8 12 -5 24.60 2.30 -8 12 5 15.00 1.50 8 12 -5 20.40 2.60 -7 -12 5 2.00 1.30 -7 -12 5 0.80 1.70 -7 12 5 0.30 1.00 7 12 -5 1.60 1.40 -7 12 5 1.70 1.00 7 12 -5 0.50 1.10 -6 -12 5 56.09 3.00 -6 -12 5 61.69 3.30 -6 12 5 60.89 2.80 -6 12 5 58.49 2.50 6 12 -5 63.69 2.90 6 12 -5 62.69 3.10 -5 -12 5 4.60 1.40 -5 -12 5 4.10 1.20 5 12 -5 1.80 1.10 -5 12 5 3.20 0.90 5 12 -5 3.50 1.70 -5 12 5 3.80 1.20 4 -12 -5 24.70 1.20 -4 -12 5 23.70 2.20 -4 -12 5 29.20 2.60 4 -12 -5 22.70 1.20 -4 12 5 30.20 2.30 4 12 -5 27.30 2.20 -4 12 5 24.50 1.90 3 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4.00 -7 9 6 138.59 3.30 7 9 -6 140.99 3.90 -7 9 6 134.49 3.10 7 9 -6 139.09 3.70 -6 -9 6 5.60 1.10 -6 -9 6 6.30 1.30 6 9 -6 4.20 0.90 6 9 -6 4.90 1.10 -6 9 6 4.60 0.70 -6 9 6 5.00 0.80 -5 -9 6 25.40 2.10 -5 -9 6 23.90 2.00 5 9 -6 24.20 2.00 -5 9 6 25.10 1.60 5 9 -6 24.00 1.70 -5 9 6 23.30 1.40 -4 -9 6 0.10 0.90 -4 -9 6 1.30 0.90 -4 9 6 2.50 0.70 4 9 -6 1.10 1.00 4 9 -6 1.20 0.80 -4 9 6 2.20 0.80 3 -9 -6 7.00 0.70 -3 -9 6 4.30 1.00 3 -9 -6 5.50 0.60 -3 -9 6 3.90 1.00 -3 9 6 5.50 0.80 3 9 -6 4.10 1.10 -3 9 6 6.30 0.90 3 9 -6 4.40 0.90 -2 -9 6 0.00 0.80 2 -9 -6 -0.20 0.50 -2 -9 6 0.10 0.90 2 -9 -6 -0.90 0.60 -2 9 6 -0.60 0.80 2 9 -6 0.20 0.80 -2 9 6 -0.10 0.60 2 9 -6 1.00 1.00 -1 -9 6 108.69 3.10 1 -9 -6 109.39 2.60 1 -9 -6 108.29 2.90 -1 9 6 111.69 3.10 1 9 -6 105.79 3.10 1 9 -6 110.49 3.40 -1 9 6 109.09 2.90 0 -9 6 25.70 1.80 0 -9 -6 27.80 1.50 0 -9 6 26.50 1.90 0 -9 -6 29.70 1.80 0 9 -6 27.10 2.10 0 9 -6 29.30 1.80 0 9 6 29.50 1.70 0 9 6 28.00 1.80 -1 -9 -6 49.90 2.00 1 -9 6 47.50 2.30 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1.80 -12 10 6 0.30 0.90 12 10 -6 0.70 1.10 12 10 -6 -0.20 1.20 -11 -10 6 3.80 1.70 -11 -10 6 4.50 1.60 11 10 -6 3.00 1.10 -11 10 6 4.00 0.90 11 10 -6 1.50 1.20 -10 -10 6 1.70 1.40 10 10 -6 -0.20 1.00 -10 10 6 -0.50 0.80 -10 10 6 -1.00 0.70 10 10 -6 -1.10 1.10 -9 -10 6 -0.50 1.20 -9 -10 6 -1.50 1.30 9 10 -6 -1.20 1.00 -9 10 6 -1.10 0.70 9 10 -6 -1.50 1.00 -9 10 6 -0.40 0.80 -8 -10 6 6.90 1.40 -8 -10 6 5.30 1.60 8 10 -6 7.20 1.30 8 10 -6 4.10 1.10 -8 10 6 4.10 0.80 -8 10 6 5.30 1.00 -7 -10 6 3.10 1.30 -7 -10 6 3.10 1.30 -7 10 6 3.00 0.80 7 10 -6 0.90 1.00 7 10 -6 3.10 1.20 -7 10 6 2.90 0.90 -6 -10 6 3.00 1.20 -6 -10 6 2.00 1.30 -6 10 6 2.40 0.90 6 10 -6 2.80 1.20 -6 10 6 0.80 0.70 6 10 -6 2.50 0.90 -5 -10 6 28.60 2.30 -5 -10 6 23.50 2.10 5 10 -6 26.20 2.20 5 10 -6 25.20 1.90 -5 10 6 25.10 1.50 -5 10 6 25.20 1.80 -4 -10 6 5.30 1.30 -4 -10 6 4.20 1.20 -4 10 6 4.90 0.90 4 10 -6 5.70 1.10 4 10 -6 4.40 1.20 -4 10 6 5.40 0.90 3 -10 -6 78.09 1.90 -3 -10 6 83.99 3.10 3 -10 -6 78.89 2.00 -3 -10 6 76.69 2.90 3 10 -6 77.79 3.10 -3 10 6 77.19 2.40 -3 10 6 81.69 2.70 3 10 -6 77.19 2.70 -2 -10 6 9.00 1.20 2 -10 -6 6.80 0.70 2 -10 -6 6.50 0.90 -2 -10 6 6.80 1.20 2 10 -6 7.20 1.40 -2 10 6 8.60 1.00 -2 10 6 5.90 1.00 2 10 -6 7.30 1.10 1 -10 -6 13.50 1.50 1 -10 -6 15.40 1.30 -1 -10 6 13.70 1.80 -1 10 6 13.90 1.50 1 10 -6 15.80 1.80 1 10 -6 12.00 1.50 -1 10 6 16.60 1.80 0 -10 6 -1.00 0.90 0 -10 -6 -0.50 0.80 0 -10 6 -1.00 1.00 0 -10 -6 0.70 0.70 0 10 -6 -1.00 1.10 0 10 6 0.20 0.80 0 10 6 0.40 0.90 0 10 -6 -1.10 0.80 1 -10 6 11.70 1.30 -1 -10 -6 15.70 1.50 1 -10 6 11.10 1.30 -1 -10 -6 16.20 1.90 -1 10 -6 14.00 1.60 1 10 6 15.80 1.80 -1 10 -6 11.70 1.30 1 10 6 18.00 1.90 2 -10 6 9.10 1.30 -2 -10 -6 7.80 1.30 2 -10 6 8.00 1.20 -2 -10 -6 7.10 1.00 2 10 6 8.60 1.30 -2 10 -6 6.00 1.40 -2 10 -6 9.30 1.30 2 10 6 6.70 1.20 -3 -10 -6 36.80 2.20 3 -10 6 40.30 2.30 3 -10 6 40.20 2.30 -3 -10 -6 37.90 2.50 3 10 6 34.60 2.30 -3 10 -6 32.60 2.60 -3 10 -6 35.90 2.20 3 10 6 40.20 2.40 4 -10 6 49.90 2.40 4 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2.60 8 11 -6 24.10 2.20 8 11 -6 28.10 2.60 -8 11 6 18.90 2.00 -8 11 6 19.00 1.70 -7 -11 6 108.39 4.00 -7 -11 6 101.89 3.70 -7 11 6 92.59 3.10 7 11 -6 105.89 3.60 7 11 -6 104.09 3.40 -7 11 6 98.09 2.90 -6 -11 6 9.50 1.40 -6 -11 6 8.30 1.60 6 11 -6 9.10 1.50 -6 11 6 7.00 1.00 -6 11 6 5.80 1.10 6 11 -6 7.00 1.20 -5 -11 6 27.00 2.40 -5 -11 6 25.20 2.50 5 11 -6 28.90 2.10 5 11 -6 30.90 2.50 -5 11 6 29.40 2.00 -5 11 6 26.40 1.80 4 -11 -6 1.70 0.40 4 -11 -6 2.50 0.40 -4 -11 6 2.60 1.20 4 11 -6 2.50 1.00 -4 11 6 2.10 1.00 -4 11 6 2.40 0.90 4 11 -6 1.60 1.30 -3 -11 6 14.60 1.50 -3 -11 6 12.70 1.50 3 -11 -6 13.90 1.10 3 -11 -6 12.70 1.20 -3 11 6 15.20 1.60 3 11 -6 14.50 1.60 -3 11 6 14.10 1.80 3 11 -6 11.80 1.30 2 -11 -6 23.90 1.60 -2 -11 6 23.00 2.20 -2 -11 6 23.20 2.10 2 -11 -6 22.10 1.40 2 11 -6 22.70 2.00 -2 11 6 23.10 2.10 -2 11 6 22.00 1.80 2 11 -6 21.40 2.40 -1 -11 6 110.79 3.50 1 -11 -6 112.79 2.90 1 -11 -6 117.29 3.20 -1 11 6 114.99 3.50 -1 11 6 114.19 3.30 1 11 -6 115.39 3.50 1 11 -6 111.49 3.90 0 -11 6 63.19 2.80 0 -11 -6 63.29 2.60 0 -11 -6 66.69 2.30 0 -11 6 64.49 2.90 0 11 -6 63.59 2.70 0 11 -6 67.39 3.20 0 11 6 64.99 2.80 0 11 6 70.89 2.60 1 -11 6 147.19 4.20 -1 -11 -6 148.69 3.80 1 -11 6 152.18 4.20 -1 -11 -6 145.89 4.20 -1 11 -6 147.19 4.50 -1 11 -6 148.29 4.10 1 11 6 150.88 4.20 1 11 6 150.88 4.10 -2 -11 -6 3.10 1.00 -2 -11 -6 4.90 1.40 2 -11 6 3.90 1.20 2 -11 6 5.40 1.20 -2 11 -6 4.20 1.10 2 11 6 4.00 1.20 2 11 6 5.10 1.30 -2 11 -6 4.50 1.80 3 -11 6 0.90 1.10 -3 -11 -6 -2.00 0.90 -3 -11 -6 -2.50 1.20 3 -11 6 1.00 1.10 -3 11 -6 -1.70 0.90 -3 11 -6 -2.00 1.50 3 11 6 -2.10 1.20 -4 -11 -6 7.60 1.50 -4 -11 -6 9.50 2.00 4 -11 6 11.70 1.40 4 -11 6 9.30 1.30 4 11 6 8.10 1.40 -4 11 -6 10.80 1.40 -4 11 -6 10.20 1.70 4 11 6 9.50 1.40 -5 -11 -6 2.80 1.20 5 -11 6 2.80 1.00 -5 -11 -6 0.70 1.30 5 -11 6 0.10 1.10 5 11 6 2.30 1.20 -5 11 -6 3.80 1.40 -5 11 -6 3.10 1.20 6 -11 6 -1.40 1.00 -6 -11 -6 -0.60 1.00 -6 -11 -6 -1.20 1.30 6 -11 6 1.80 1.00 6 11 6 -1.20 2.10 -6 11 -6 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2.00 12 -3 10 0.90 2.10 -12 -3 -10 -3.20 2.10 12 -3 10 -0.30 1.40 12 3 10 -3.90 1.80 -12 3 -10 -1.80 1.80 -12 3 -10 -2.20 1.70 12 3 10 -4.40 1.60 -13 -3 -10 8.00 2.40 13 -3 10 4.10 2.10 13 -3 10 5.30 1.80 -13 3 -10 1.70 2.10 13 3 10 4.80 2.20 13 3 10 5.70 2.00 -15 -4 10 2.10 1.50 -15 -4 10 2.90 1.70 -15 4 10 0.40 0.90 -15 4 10 0.90 0.80 -14 -4 10 -0.60 1.40 -14 -4 10 -2.30 1.30 -14 4 10 -1.30 0.60 -14 4 10 1.20 0.70 -13 -4 10 3.40 1.30 -13 -4 10 0.20 1.10 -13 4 10 0.40 0.50 -13 4 10 -1.00 0.50 -12 -4 10 4.50 1.20 -12 -4 10 4.20 1.30 -12 4 10 5.20 0.50 -12 4 10 4.60 0.50 -11 -4 10 -0.30 0.90 -11 -4 10 -0.50 1.10 -10 -4 10 27.00 2.10 -10 -4 10 29.00 1.90 -9 -4 10 -0.30 0.80 -9 -4 10 0.30 0.90 -8 -4 10 2.70 1.00 -8 -4 10 1.30 0.80 -7 -4 10 193.78 4.50 -7 -4 10 189.58 4.20 7 4 -10 190.88 3.40 7 4 -10 183.48 3.60 -7 4 10 189.88 3.40 -7 4 10 183.68 3.30 -6 -4 10 0.00 0.80 -6 -4 10 -0.90 0.60 -6 4 10 -0.20 0.30 -6 4 10 0.50 0.40 6 4 -10 0.40 0.40 6 4 -10 0.40 0.50 -5 -4 10 32.70 1.60 -5 -4 10 31.20 1.80 5 4 -10 31.10 1.50 -5 4 10 33.10 1.20 5 4 -10 32.30 1.30 -5 4 10 33.30 1.10 -4 -4 10 0.90 0.60 4 4 -10 1.40 0.60 4 4 -10 1.50 0.70 -4 4 10 1.90 0.50 -4 4 10 1.90 0.50 -3 -4 10 5.20 0.90 -3 -4 10 6.00 0.80 3 4 -10 6.70 0.90 -3 4 10 7.80 0.90 3 4 -10 5.90 0.70 -3 4 10 8.20 0.90 -2 -4 10 3.70 0.80 2 -4 -10 4.90 0.60 2 -4 -10 4.80 0.60 -2 -4 10 3.40 0.80 2 4 -10 3.90 0.90 2 4 -10 4.00 0.70 -2 4 10 4.70 0.70 -2 4 10 4.50 0.70 -1 -4 10 45.90 2.00 -1 -4 10 47.30 2.00 1 -4 -10 45.80 1.60 1 -4 -10 46.20 1.60 -1 4 10 47.00 1.80 -1 4 10 44.60 1.70 1 4 -10 48.90 2.10 1 4 -10 47.20 1.90 0 -4 -10 354.26 6.70 0 -4 10 358.56 7.00 0 -4 -10 346.67 6.70 0 -4 10 354.96 7.00 0 4 -10 348.37 6.80 0 4 10 351.86 6.80 0 4 10 342.07 6.80 0 4 -10 355.66 7.10 1 -4 10 9.60 1.10 -1 -4 -10 8.60 0.90 -1 -4 -10 11.90 1.40 1 -4 10 12.40 1.50 1 4 10 12.40 1.40 -1 4 -10 8.90 1.10 -1 4 -10 13.10 1.50 1 4 10 11.10 1.40 2 -4 10 18.60 1.70 -2 -4 -10 18.10 1.70 -2 -4 -10 14.20 1.60 2 -4 10 21.50 1.70 -2 4 -10 22.30 1.70 2 4 10 19.20 1.70 2 4 10 16.70 1.60 -2 4 -10 22.30 1.90 3 -4 10 28.90 1.90 -3 -4 -10 23.80 2.00 3 -4 10 29.30 2.00 -3 -4 -10 26.10 1.90 3 4 10 25.90 2.00 -3 4 -10 31.00 2.10 -3 4 -10 33.30 2.00 3 4 10 25.30 1.90 4 -4 10 42.70 2.20 -4 -4 -10 44.20 2.40 4 -4 10 43.60 2.40 -4 -4 -10 43.80 2.30 -4 4 -10 47.30 2.30 4 4 10 44.50 2.30 4 4 10 43.40 2.20 -4 4 -10 42.00 2.50 5 -4 10 4.20 1.00 5 -4 10 5.30 1.20 -5 -4 -10 4.10 1.10 -5 -4 -10 7.10 1.20 -5 4 -10 4.80 1.90 -5 4 -10 4.50 1.10 5 4 10 6.10 1.20 5 4 10 6.30 1.50 -6 -4 -10 18.00 2.20 -6 -4 -10 18.00 2.20 6 -4 10 18.90 1.90 6 4 10 22.10 2.20 -6 4 -10 18.20 2.10 -6 4 -10 19.20 2.30 6 4 10 21.80 2.10 7 -4 10 1.10 1.10 7 -4 10 0.40 1.20 -7 -4 -10 2.30 1.30 7 4 10 2.00 1.10 -7 4 -10 -0.90 1.10 7 4 10 0.60 1.20 -7 4 -10 -0.50 1.10 8 -4 10 -1.10 1.20 -8 -4 -10 0.50 1.40 8 -4 10 1.50 1.10 -8 4 -10 0.00 1.30 8 4 10 -0.40 1.00 -8 4 -10 -0.80 1.20 -9 -4 -10 0.90 1.50 9 -4 10 2.00 1.20 9 -4 10 -1.50 1.30 -9 4 -10 -1.00 1.40 9 4 10 -0.40 1.20 -9 4 -10 1.00 1.30 10 -4 10 6.70 1.50 -10 -4 -10 5.50 2.00 -10 -4 -10 9.20 1.90 -10 4 -10 5.30 1.60 10 4 10 5.90 1.60 10 4 10 6.70 1.70 -10 4 -10 8.10 1.90 -11 -4 -10 0.50 1.90 11 -4 10 1.90 1.40 -11 -4 -10 0.70 1.80 11 4 10 0.60 1.70 -11 4 -10 -0.20 1.70 -11 4 -10 -1.20 1.70 11 4 10 -3.10 1.60 12 -4 10 0.00 1.50 -12 -4 -10 -4.80 2.10 -12 -4 -10 -1.80 2.00 -12 4 -10 0.20 1.90 12 4 10 -1.70 1.60 12 4 10 2.10 1.90 -12 4 -10 1.40 1.80 13 -4 10 2.70 1.70 13 -4 10 4.10 2.10 -13 -4 -10 1.40 2.50 13 4 10 3.70 2.30 13 4 10 3.80 2.10 -13 4 -10 3.60 2.20 -15 -5 10 20.40 3.40 -15 -5 10 10.70 1.80 -15 5 10 9.20 0.90 -15 5 10 10.60 1.10 -14 -5 10 6.50 1.80 -14 -5 10 5.30 1.50 -14 5 10 5.80 0.70 -14 5 10 5.00 0.70 -13 -5 10 3.00 1.40 -13 -5 10 -0.10 1.40 -13 5 10 1.70 0.50 -13 5 10 2.20 0.50 -12 -5 10 0.60 1.30 -12 -5 10 2.70 1.20 -11 -5 10 1.70 1.20 -11 -5 10 2.90 1.10 -10 -5 10 47.40 2.60 -10 -5 10 49.10 2.40 -9 -5 10 -1.10 1.00 -9 -5 10 -1.00 0.90 -8 -5 10 11.50 1.20 -8 -5 10 15.30 1.90 8 5 -10 13.90 0.80 8 5 -10 12.40 0.80 -7 -5 10 107.59 3.30 -7 -5 10 107.69 3.00 -7 5 10 99.99 2.10 7 5 -10 104.59 2.40 7 5 -10 108.39 2.50 -7 5 10 105.39 2.10 -6 -5 10 0.30 0.80 -6 -5 10 0.60 0.80 6 5 -10 1.30 0.60 6 5 -10 1.40 0.60 -6 5 10 0.80 0.40 -6 5 10 0.90 0.50 -5 -5 10 4.60 0.90 -5 -5 10 3.60 0.90 -5 5 10 4.70 0.60 -5 5 10 4.50 0.50 5 5 -10 3.50 0.70 5 5 -10 4.30 0.80 -4 -5 10 -0.40 0.80 -4 -5 10 0.60 0.70 4 5 -10 0.20 0.60 4 5 -10 -0.80 0.70 -4 5 10 -0.10 0.40 -4 5 10 0.50 0.50 -3 -5 10 21.30 1.50 -3 -5 10 20.60 1.70 -3 5 10 21.50 1.20 -3 5 10 21.80 1.20 3 5 -10 20.50 1.40 3 5 -10 24.30 1.70 -2 -5 10 47.60 2.10 2 -5 -10 45.20 1.40 -2 -5 10 47.20 2.00 2 -5 -10 44.30 1.40 -2 5 10 46.30 1.70 2 5 -10 48.00 1.90 2 5 -10 49.30 2.20 -2 5 10 49.30 1.70 -1 -5 10 9.20 1.10 1 -5 -10 9.40 1.10 1 -5 -10 8.80 1.20 -1 -5 10 11.00 1.20 1 5 -10 10.30 1.20 -1 5 10 9.60 1.30 -1 5 10 9.70 1.20 1 5 -10 10.20 1.40 0 -5 -10 10.30 1.20 0 -5 10 13.30 1.60 0 -5 10 13.70 1.50 0 -5 -10 11.00 1.30 0 5 10 12.70 1.40 0 5 -10 13.90 1.50 0 5 10 13.40 1.40 0 5 -10 10.30 1.20 -1 -5 -10 5.30 0.80 -1 -5 -10 7.30 1.00 1 -5 10 5.20 0.90 1 -5 10 5.70 1.00 1 5 10 6.80 1.00 -1 5 -10 7.30 1.00 1 5 10 5.00 0.90 2 -5 10 36.50 2.10 -2 -5 -10 36.90 2.00 2 -5 10 38.00 2.00 -2 -5 -10 35.80 2.00 2 5 10 33.50 2.00 2 5 10 36.90 2.00 -2 5 -10 37.00 2.00 -2 5 -10 38.00 2.30 3 -5 10 101.89 3.10 3 -5 10 100.89 3.20 -3 -5 -10 98.19 3.10 -3 -5 -10 97.29 3.20 3 5 10 95.39 3.10 3 5 10 95.89 3.10 -3 5 -10 101.89 3.40 -3 5 -10 96.69 3.10 -4 -5 -10 164.28 4.40 -4 -5 -10 164.18 4.30 4 -5 10 166.18 4.20 4 -5 10 165.28 4.30 -4 5 -10 167.98 4.60 4 5 10 166.68 4.30 4 5 10 160.98 4.30 -4 5 -10 161.78 4.30 5 -5 10 9.90 1.40 -5 -5 -10 11.50 1.40 5 -5 10 9.10 1.20 -5 -5 -10 13.70 1.80 5 5 10 11.30 1.40 -5 5 -10 5.50 1.50 -5 5 -10 10.90 1.30 5 5 10 9.60 1.60 -6 -5 -10 3.90 1.30 -6 -5 -10 2.90 1.20 6 -5 10 2.40 1.50 6 -5 10 3.00 1.10 -6 5 -10 2.20 1.20 6 5 10 4.20 1.30 6 5 10 2.70 1.10 -6 5 -10 4.20 1.20 7 -5 10 15.80 1.70 -7 -5 -10 12.30 1.70 -7 -5 -10 9.50 1.90 7 -5 10 16.10 2.00 7 5 10 12.40 1.50 7 5 10 13.20 1.70 -7 5 -10 19.50 2.20 8 -5 10 3.20 1.10 8 -5 10 3.80 1.40 -8 -5 -10 -2.00 1.40 -8 5 -10 2.60 1.50 -8 5 -10 2.30 1.20 8 5 10 2.10 1.20 -9 -5 -10 13.80 2.00 9 -5 10 9.30 1.60 9 -5 10 13.20 1.70 -9 5 -10 12.70 1.80 -9 5 -10 14.00 2.10 9 5 10 13.00 1.70 10 -5 10 5.90 1.40 -10 -5 -10 7.40 1.80 -10 -5 -10 3.20 1.90 -10 5 -10 5.70 1.90 -10 5 -10 6.90 1.70 10 5 10 4.80 1.80 10 5 10 5.10 1.60 11 -5 10 -1.20 1.40 -11 -5 -10 2.40 2.00 -11 -5 -10 -1.40 1.80 11 5 10 -1.20 1.50 -11 5 -10 -0.30 1.70 11 5 10 -1.80 1.70 -11 5 -10 -1.00 1.90 -12 -5 -10 -1.00 3.20 -12 -5 -10 -0.50 2.20 12 -5 10 0.20 1.50 12 5 10 -2.30 2.00 -12 5 -10 -2.70 2.00 -12 5 -10 1.60 1.80 12 5 10 0.20 1.80 -15 -6 10 2.80 1.70 -15 -6 10 5.20 2.00 -15 6 10 0.10 0.80 -15 6 10 2.00 0.80 -14 -6 10 1.80 2.00 -14 -6 10 -0.60 1.50 -14 6 10 0.40 0.60 -14 6 10 0.30 0.60 -13 -6 10 22.20 2.70 -13 -6 10 21.00 2.90 -13 6 10 19.10 1.00 -13 6 10 18.70 1.00 -12 -6 10 27.90 2.80 -12 -6 10 30.00 2.60 -11 -6 10 0.80 1.30 -11 -6 10 2.90 1.20 -10 -6 10 61.59 2.80 -10 -6 10 60.39 3.00 -9 -6 10 0.10 1.00 -9 -6 10 1.60 1.10 9 6 -10 0.60 0.50 9 6 -10 1.50 0.50 -8 -6 10 2.80 1.20 -8 -6 10 1.70 1.10 8 6 -10 2.90 0.70 -8 6 10 4.40 0.40 -8 6 10 3.40 0.50 8 6 -10 2.80 0.70 -7 -6 10 99.89 3.40 -7 -6 10 99.69 3.10 7 6 -10 98.89 2.60 7 6 -10 97.29 2.50 -7 6 10 95.99 2.10 -7 6 10 95.19 2.20 -6 -6 10 40.60 2.10 -6 -6 10 39.20 2.30 6 6 -10 40.60 1.90 -6 6 10 37.30 1.30 -6 6 10 38.20 1.40 6 6 -10 37.90 1.60 -5 -6 10 110.89 3.10 -5 -6 10 109.19 3.40 -5 6 10 109.69 2.50 5 6 -10 114.29 3.10 5 6 -10 108.49 2.80 -5 6 10 109.59 2.60 -4 -6 10 0.50 0.80 -4 -6 10 -0.50 0.80 4 6 -10 0.30 0.70 4 6 -10 -0.80 0.80 -4 6 10 -0.90 0.50 -4 6 10 0.00 0.60 -3 -6 10 -0.90 0.90 -3 -6 10 -0.80 0.70 3 6 -10 0.10 0.70 3 6 -10 -1.00 0.80 -3 6 10 1.10 0.60 -3 6 10 -0.40 0.50 2 -6 -10 7.50 1.00 -2 -6 10 5.80 1.00 2 -6 -10 8.40 0.90 -2 -6 10 5.70 1.00 2 6 -10 7.70 1.10 -2 6 10 7.00 0.80 -2 6 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36.80 2.60 -5 6 -10 41.00 2.50 5 6 10 41.60 2.50 -5 6 -10 36.20 2.70 5 6 10 35.00 2.40 6 -6 10 8.80 1.20 6 -6 10 12.60 1.60 -6 -6 -10 15.10 1.60 -6 -6 -10 13.30 1.60 6 6 10 11.50 1.40 -6 6 -10 11.20 1.40 -7 -6 -10 -0.50 1.00 7 -6 10 2.20 1.30 7 -6 10 2.70 1.10 7 6 10 -0.90 1.00 -7 6 -10 0.10 1.20 -8 -6 -10 -0.10 1.50 8 -6 10 0.30 1.10 8 -6 10 2.00 1.30 -8 6 -10 0.30 1.60 8 6 10 -0.80 1.30 -8 6 -10 -0.70 1.20 -9 -6 -10 -0.30 1.60 9 -6 10 0.60 1.30 -9 6 -10 2.60 1.50 9 6 10 1.20 1.60 9 6 10 -1.50 1.40 -9 6 -10 -0.50 1.70 -10 -6 -10 1.00 1.70 10 -6 10 -1.10 1.30 -10 -6 -10 -2.60 1.70 -10 6 -10 0.70 1.50 -10 6 -10 -2.10 1.80 10 6 10 -0.10 1.60 10 6 10 -0.70 1.80 -11 -6 -10 1.00 2.30 -11 -6 -10 2.20 1.90 11 -6 10 1.80 1.50 -11 6 -10 -1.10 1.70 11 6 10 3.20 1.90 11 6 10 3.20 1.90 -11 6 -10 2.10 2.10 -12 -6 -10 -0.10 2.30 12 -6 10 0.60 1.50 -12 6 -10 0.10 2.40 12 6 10 -0.20 1.90 -12 6 -10 -0.50 2.00 12 6 10 2.50 2.10 -15 -7 10 29.20 3.60 -15 -7 10 38.90 4.10 -15 7 10 28.30 1.60 -15 7 10 29.60 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0.00 -1 4 20 0.01 0.00 0 4 20 -0.16 0.00 1 4 20 0.09 0.00 2 4 20 -0.22 0.00 3 4 20 0.16 0.00 4 4 20 -0.39 0.00 -9 5 20 -0.02 0.00 -8 5 20 0.64 0.00 -7 5 20 -0.41 0.00 -6 5 20 0.03 0.00 -5 5 20 -0.07 0.00 -4 5 20 -0.46 0.00 -3 5 20 0.03 0.00 -2 5 20 -0.03 0.00 -1 5 20 -0.16 0.00 0 5 20 0.09 0.00 1 5 20 -0.14 0.00 2 5 20 -0.13 0.00 3 5 20 0.08 0.00 -8 6 20 0.17 0.00 -7 6 20 -0.34 0.00 -6 6 20 0.31 0.00 -5 6 20 0.21 0.00 -4 6 20 -0.09 0.00 -3 6 20 0.19 0.00 -2 6 20 0.31 0.00 -1 6 20 -0.10 0.00 0 6 20 0.48 0.00 1 6 20 -0.04 0.00 2 6 20 0.29 0.00 3 6 20 0.14 0.00 -8 7 20 0.14 0.00 -7 7 20 -0.20 0.00 -6 7 20 0.03 0.00 -5 7 20 0.08 0.00 -4 7 20 -0.35 0.00 -3 7 20 -0.07 0.00 -2 7 20 -0.24 0.00 -1 7 20 -0.64 0.00 0 7 20 0.03 0.00 1 7 20 -0.46 0.00 2 7 20 -0.11 0.00 -7 8 20 -0.03 0.00 -6 8 20 -0.01 0.00 -5 8 20 0.29 0.00 -4 8 20 -0.28 0.00 -3 8 20 0.67 0.00 -2 8 20 0.41 0.00 -1 8 20 0.33 0.00 0 8 20 0.51 0.00 1 8 20 0.01 0.00 -5 9 20 0.30 0.00 -4 9 20 -0.69 0.00 -3 9 20 0.13 0.00 -2 9 20 -0.79 0.00 -1 9 20 -0.41 0.00 0 9 20 -0.12 0.00 -9 0 21 0.30 0.00 -7 0 21 1.38 0.00 -5 0 21 1.16 0.00 -3 0 21 -0.64 0.00 -1 0 21 -1.25 0.00 1 0 21 -0.75 0.00 3 0 21 0.31 0.00 -9 1 21 -0.06 0.00 -8 1 21 -0.67 0.00 -7 1 21 0.05 0.00 -6 1 21 -1.44 0.00 -5 1 21 0.38 0.00 -4 1 21 -0.21 0.00 -3 1 21 0.20 0.00 -2 1 21 0.92 0.00 -1 1 21 -0.06 0.00 0 1 21 0.83 0.00 1 1 21 -0.01 0.00 2 1 21 0.02 0.00 3 1 21 0.01 0.00 -9 2 21 0.10 0.00 -8 2 21 0.23 0.00 -7 2 21 0.82 0.00 -6 2 21 -0.37 0.00 -5 2 21 0.72 0.00 -4 2 21 -0.59 0.00 -3 2 21 -0.31 0.00 -2 2 21 -0.05 0.00 -1 2 21 -0.39 0.00 0 2 21 0.06 0.00 1 2 21 -0.02 0.00 2 2 21 -0.16 0.00 3 2 21 0.54 0.00 -8 3 21 -0.14 0.00 -7 3 21 -0.12 0.00 -6 3 21 -0.47 0.00 -5 3 21 0.69 0.00 -4 3 21 -0.07 0.00 -3 3 21 0.33 0.00 -2 3 21 0.10 0.00 -1 3 21 -0.11 0.00 0 3 21 -0.14 0.00 1 3 21 0.15 0.00 2 3 21 -0.39 0.00 -8 4 21 0.51 0.00 -7 4 21 -0.04 0.00 -6 4 21 -0.30 0.00 -5 4 21 0.07 0.00 -4 4 21 -0.54 0.00 -3 4 21 -0.06 0.00 -2 4 21 0.06 0.00 -1 4 21 0.06 0.00 0 4 21 0.05 0.00 1 4 21 0.11 0.00 2 4 21 -0.31 0.00 -7 5 21 -0.18 0.00 -6 5 21 0.18 0.00 -5 5 21 0.46 0.00 -4 5 21 0.04 0.00 -3 5 21 0.11 0.00 -2 5 21 0.18 0.00 -1 5 21 -0.20 0.00 0 5 21 0.20 0.00 1 5 21 0.05 0.00 -6 6 21 -0.13 0.00 -5 6 21 -0.02 0.00 -4 6 21 -0.27 0.00 -3 6 21 -0.20 0.00 -2 6 21 0.08 0.00 -1 6 21 -0.45 0.00 0 6 21 0.17 0.00 1 6 21 -0.36 0.00 -5 7 21 0.20 0.00 -4 7 21 -0.04 0.00 -3 7 21 0.23 0.00 -2 7 21 0.49 0.00 -1 7 21 -0.05 0.00 -6 0 22 -1.19 0.00 -4 0 22 0.18 0.00 -2 0 22 0.82 0.00 0 0 22 0.74 0.00 -7 1 22 1.12 0.00 -6 1 22 -0.37 0.00 -5 1 22 0.49 0.00 -4 1 22 -0.32 0.00 -3 1 22 -0.58 0.00 -2 1 22 -0.02 0.00 -1 1 22 -0.63 0.00 0 1 22 -0.05 0.00 -6 2 22 -0.70 0.00 -5 2 22 0.66 0.00 -4 2 22 0.17 0.00 -3 2 22 0.20 0.00 -2 2 22 0.33 0.00 -1 2 22 -0.04 0.00 0 2 22 0.12 0.00 -6 3 22 -0.55 0.00 -5 3 22 0.09 0.00 -4 3 22 -0.48 0.00 -3 3 22 -0.19 0.00 -2 3 22 0.09 0.00 -1 3 22 0.06 0.00 -5 4 22 0.59 0.00 -4 4 22 0.13 0.00 -3 4 22 0.05 0.00 -2 4 22 0.02 0.00 -1 4 22 -0.13 0.00 1 1 0 -67.09 0.00 0 2 0 53.89 0.00 16 6 0 0.14 0.00 15 9 0 -0.44 0.00 13 13 0 -0.15 0.00 -1 0 1 -75.67 0.00 1 0 1 -62.31 0.00 -1 1 1 2.05 0.00 0 1 1 68.20 0.00 1 1 1 -0.33 0.00 0 2 1 -1.08 0.00 16 5 1 -0.16 0.00 14 11 1 0.29 0.00 -7 19 1 -0.30 0.00 -2 0 2 59.38 0.00 0 0 2 59.42 0.00 -1 1 2 -59.29 0.00 0 1 2 -1.63 0.00 16 4 2 -0.07 0.00 -16 7 2 0.66 0.00 15 8 2 0.22 0.00 12 14 2 0.13 0.00 8 18 2 0.41 0.00 -7 19 2 -0.17 0.00 4 20 2 1.13 0.00 -17 0 3 -0.17 0.00 -3 0 3 -39.81 0.00 -17 1 3 -0.40 0.00 16 2 3 -0.70 0.00 16 3 3 0.32 0.00 -16 7 3 0.37 0.00 14 10 3 -0.01 0.00 13 12 3 0.25 0.00 11 15 3 0.17 0.00 10 16 3 -0.22 0.00 9 17 3 -0.02 0.00 6 19 3 0.48 0.00 -17 1 4 -0.19 0.00 -16 7 4 0.91 0.00 -4 20 4 0.32 0.00 3 20 4 -0.21 0.00 -17 0 5 -0.32 0.00 -17 1 5 -0.24 0.00 -16 7 5 0.12 0.00 13 11 5 -0.02 0.00 11 14 5 0.25 0.00 5 19 5 -0.07 0.00 -3 20 5 -0.55 0.00 2 20 5 0.05 0.00 -17 1 6 -0.09 0.00 15 4 6 0.05 0.00 -16 7 6 0.55 0.00 14 8 6 -0.09 0.00 12 12 6 -0.44 0.00 -8 18 6 0.00 0.00 -6 19 6 0.48 0.00 -2 20 6 0.43 0.00 -1 20 6 0.11 0.00 0 20 6 0.21 0.00 -13 13 7 0.47 0.00 11 13 7 -0.53 0.00 -9 17 7 0.02 0.00 7 17 7 -0.32 0.00 14 5 8 -0.13 0.00 -16 6 8 -0.08 0.00 -15 9 8 0.30 0.00 -14 11 8 -0.06 0.00 -12 14 8 -0.09 0.00 -11 15 8 0.03 0.00 -10 16 8 -0.14 0.00 -7 18 8 -0.57 0.00 5 18 8 -0.74 0.00 2 19 8 -0.04 0.00 14 1 9 -0.52 0.00 14 2 9 0.37 0.00 -16 5 9 -0.05 0.00 13 7 9 0.04 0.00 10 13 9 -0.23 0.00 7 16 9 0.43 0.00 4 18 9 0.63 0.00 -3 19 9 -0.12 0.00 -2 19 9 0.33 0.00 0 19 9 0.40 0.00 -16 4 10 -0.16 0.00 13 5 10 -0.27 0.00 -15 8 10 -0.16 0.00 -14 10 10 0.15 0.00 10 12 10 -0.52 0.00 -9 16 10 0.12 0.00 13 0 11 1.01 0.00 13 1 11 -0.39 0.00 -16 2 11 0.24 0.00 13 2 11 0.45 0.00 -16 3 11 -0.27 0.00 -15 7 11 -0.21 0.00 12 7 11 0.29 0.00 10 11 11 -0.69 0.00 -11 14 11 -0.48 0.00 -4 18 11 0.35 0.00 1 18 11 -0.07 0.00 12 5 12 -0.40 0.00 -15 6 12 -0.41 0.00 11 8 12 0.08 0.00 10 10 12 -0.65 0.00 -12 12 12 0.36 0.00 8 13 12 -0.03 0.00 7 14 12 0.09 0.00 2 17 12 -0.10 0.00 -15 5 13 -0.39 0.00 11 6 13 -0.37 0.00 -14 8 13 -0.35 0.00 -13 10 13 -0.41 0.00 8 12 13 0.07 0.00 7 13 13 0.10 0.00 6 14 13 0.01 0.00 3 16 13 -0.19 0.00 -3 17 13 -0.37 0.00 -2 17 13 -0.05 0.00 -1 17 13 0.04 0.00 0 17 13 0.28 0.00 -15 2 14 0.12 0.00 -15 3 14 -0.20 0.00 11 3 14 -0.15 0.00 10 7 14 0.01 0.00 -13 9 14 -0.41 0.00 9 9 14 0.60 0.00 -11 12 14 -0.13 0.00 7 12 14 0.08 0.00 -10 13 14 -0.01 0.00 6 13 14 -0.20 0.00 5 14 14 -0.02 0.00 -5 16 14 -0.19 0.00 1 16 14 0.29 0.00 10 4 15 -0.58 0.00 -14 5 15 -0.28 0.00 -13 8 15 0.06 0.00 -11 11 15 -0.53 0.00 6 12 15 -0.26 0.00 -9 13 15 -0.15 0.00 5 13 15 0.31 0.00 -14 2 16 0.56 0.00 9 5 16 -0.30 0.00 -13 6 16 -0.47 0.00 -11 10 16 -0.54 0.00 -8 13 16 0.07 0.00 -6 14 16 0.87 0.00 -13 4 17 -0.44 0.00 8 5 17 0.12 0.00 -12 7 17 -0.19 0.00 6 9 17 -0.11 0.00 -10 10 17 -0.07 0.00 -9 11 17 0.28 0.00 -8 12 17 -0.09 0.00 3 12 17 -0.14 0.00 -6 13 17 1.19 0.00 -12 5 18 0.03 0.00 7 5 18 0.10 0.00 -11 7 18 -0.07 0.00 6 7 18 0.00 0.00 -9 10 18 0.60 0.00 4 10 18 0.09 0.00 -6 12 18 0.94 0.00 1 12 18 0.15 0.00 6 4 19 0.49 0.00 -11 5 19 -0.18 0.00 5 6 19 0.21 0.00 -10 7 19 -0.17 0.00 4 8 19 -0.36 0.00 3 9 19 0.20 0.00 -7 10 19 -0.10 0.00 2 10 19 0.05 0.00 -5 11 19 0.17 0.00 0 11 19 0.13 0.00 5 1 20 0.61 0.00 5 2 20 -0.38 0.00 5 3 20 0.34 0.00 -10 4 20 0.05 0.00 4 5 20 0.01 0.00 -9 6 20 -0.29 0.00 3 7 20 -0.15 0.00 2 8 20 0.22 0.00 -6 9 20 -0.09 0.00 1 9 20 -0.13 0.00 -4 10 20 -0.41 0.00 -3 10 20 0.84 0.00 -2 10 20 0.11 0.00 -9 3 21 -0.38 0.00 3 3 21 0.30 0.00 -8 5 21 0.16 0.00 2 5 21 0.09 0.00 -7 6 21 -0.29 0.00 -6 7 21 0.08 0.00 0 7 21 0.44 0.00 -4 8 21 -0.38 0.00 -3 8 21 -0.18 0.00 -2 8 21 -0.33 0.00 1 1 22 -0.29 0.00 -7 2 22 0.24 0.00 1 2 22 0.25 0.00 -7 3 22 0.37 0.00 0 3 22 -0.09 0.00 -6 4 22 -0.07 0.00 0 4 22 -0.02 0.00 -5 5 22 -0.04 0.00 -4 5 22 -0.28 0.00 -3 5 22 -0.14 0.00 -2 5 22 0.15 0.00 -1 5 22 -0.17 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 122 40 ' ' 2 0.500 0.000 1.000 122 40 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 1 0 2.016 0 2 0 2.527 -1 0 1 1.774 1 0 1 2.128 -1 1 1 2.178 0 1 1 1.723 1 1 1 2.475 0 2 1 2.786 -2 0 2 3.551 0 0 2 2.342 -1 1 2 2.859 0 1 2 2.661 -3 0 3 5.330 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL mo_molan50P 21/nk_0m_a R = 0.08 CELL 13.2004 16.1190 17.7050 90.00 100.79 90.00 SPGR P21/n # Solvent Accessible Volume = 246 # Electrons Found in S.A.V. = 80 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.948 0.463 0.454 ! 3.52 eA-3 C102 0.965 0.545 0.433 ! 2.82 eA-3 C103 0.510 0.065 0.021 ! 2.78 eA-3 Q104 0.660 0.277 0.449 ! 0.96 eA-3 ) ; _shelx_fab_checksum 46637 data_mo_molan508e_350k_0m_a_sq _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' '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' 'Fe' 'Fe' 0.3463 0.8444 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.252(4) _cell_length_b 16.104(5) _cell_length_c 17.843(5) _cell_angle_alpha 90 _cell_angle_beta 100.514(12) _cell_angle_gamma 90 _cell_volume 3743.8(19) _cell_formula_units_Z 4 _cell_measurement_temperature 350(2) _cell_measurement_reflns_used 9977 _cell_measurement_theta_min 2.97 _cell_measurement_theta_max 26.94 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.268 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.448 _shelx_estimated_absorpt_T_min 0.769 _shelx_estimated_absorpt_T_max 0.965 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6480 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 350(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 50151 _diffrn_reflns_av_unetI/netI 0.0363 _diffrn_reflns_av_R_equivalents 0.0607 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.974 _diffrn_reflns_theta_max 27.130 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.991 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 8197 _reflns_number_gt 5124 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0529P)^2^+2.8746P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 8197 _refine_ls_number_parameters 537 _refine_ls_number_restraints 136 _refine_ls_R_factor_all 0.0971 _refine_ls_R_factor_gt 0.0500 _refine_ls_wR_factor_ref 0.1440 _refine_ls_wR_factor_gt 0.1130 _refine_ls_goodness_of_fit_ref 1.053 _refine_ls_restrained_S_all 1.049 _refine_ls_shift/su_max 0.044 _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 Fe1 Fe 0.66398(3) 0.27548(2) 0.44978(2) 0.04344(13) Uani 1 1 d . . . . . O1 O 1.22669(16) 0.25600(16) 0.25263(13) 0.0671(6) Uani 1 1 d . . . . . O2 O 0.10588(17) 0.25162(17) 0.65601(15) 0.0810(8) Uani 1 1 d . . . . . N1 N 0.71301(15) 0.33438(13) 0.37283(13) 0.0435(5) Uani 1 1 d . . . . . N2 N 0.79634(16) 0.31836(14) 0.34444(13) 0.0437(5) Uani 1 1 d . . . . . N3 N 0.86159(16) 0.20885(14) 0.43472(13) 0.0444(5) Uani 1 1 d . . . . . N4 N 0.77852(17) 0.20560(14) 0.46556(12) 0.0423(5) Uani 1 1 d . . . . . N5 N 0.55264(17) 0.20402(13) 0.43962(12) 0.0412(5) Uani 1 1 d . . . . . N6 N 0.47084(16) 0.20615(14) 0.47204(12) 0.0408(5) Uani 1 1 d . . . . . N7 N 0.52717(16) 0.32686(14) 0.54996(13) 0.0430(5) Uani 1 1 d . . . . . N8 N 0.60905(16) 0.33998(13) 0.51854(13) 0.0436(5) Uani 1 1 d D . . . . C1 C 0.6531(2) 0.39910(17) 0.32996(17) 0.0476(7) Uani 1 1 d . . . . . C2 C 0.5509(2) 0.4098(2) 0.3357(2) 0.0628(9) Uani 1 1 d . . . . . H2 H 0.520665 0.373753 0.365803 0.075 Uiso 1 1 calc R U . . . C3 C 0.4936(3) 0.4733(3) 0.2970(2) 0.0771(11) Uani 1 1 d . . . . . H3 H 0.425358 0.479819 0.301963 0.093 Uiso 1 1 calc R U . . . C4 C 0.5354(3) 0.5271(2) 0.2514(2) 0.0773(11) Uani 1 1 d . . . . . H4 H 0.496594 0.570018 0.225796 0.093 Uiso 1 1 calc R U . . . C5 C 0.6360(3) 0.5157(2) 0.2445(2) 0.0805(11) Uani 1 1 d . . . . . H5 H 0.665332 0.550990 0.213238 0.097 Uiso 1 1 calc R U . . . C6 C 0.6943(2) 0.4529(2) 0.2833(2) 0.0682(10) Uani 1 1 d . . . . . H6 H 0.762348 0.446689 0.277958 0.082 Uiso 1 1 calc R U . . . C7 C 0.86470(19) 0.26238(17) 0.37752(15) 0.0397(6) Uani 1 1 d . . . . . C8 C 0.96080(19) 0.25798(16) 0.34510(15) 0.0389(6) Uani 1 1 d . . . . . C9 C 0.9606(2) 0.27673(18) 0.26931(16) 0.0454(6) Uani 1 1 d . . . . . H9 H 0.899408 0.291448 0.237697 0.054 Uiso 1 1 calc R U . . . C10 C 1.0498(2) 0.27386(18) 0.24019(16) 0.0482(7) Uani 1 1 d . . . . . H10 H 1.048166 0.285635 0.188948 0.058 Uiso 1 1 calc R U . . . C11 C 1.1425(2) 0.25348(17) 0.28677(16) 0.0443(6) Uani 1 1 d . . . . . C12 C 1.1441(2) 0.23381(19) 0.36242(17) 0.0495(7) Uani 1 1 d . . . . . H12 H 1.205521 0.219361 0.393916 0.059 Uiso 1 1 calc R U . . . C13 C 1.0539(2) 0.23578(19) 0.39090(17) 0.0507(7) Uani 1 1 d . . . . . H13 H 1.055265 0.222014 0.441687 0.061 Uiso 1 1 calc R U . . . C14 C 1.3240(2) 0.2385(3) 0.2982(2) 0.0939(14) Uani 1 1 d . . . . . H14A H 1.376626 0.245311 0.268172 0.141 Uiso 1 1 calc R U . . . H14B H 1.324791 0.182325 0.316420 0.141 Uiso 1 1 calc R U . . . H14C H 1.336337 0.275874 0.340771 0.141 Uiso 1 1 calc R U . . . C15 C 0.7832(2) 0.13696(17) 0.51774(15) 0.0432(6) Uani 1 1 d . . . . . C16 C 0.8292(3) 0.0627(2) 0.50421(19) 0.0644(9) Uani 1 1 d . . . . . H16 H 0.858405 0.056542 0.460953 0.077 Uiso 1 1 calc R U . . . C17 C 0.8315(3) -0.0021(2) 0.5551(2) 0.0792(11) Uani 1 1 d . . . . . H17 H 0.862718 -0.051887 0.545852 0.095 Uiso 1 1 calc R U . . . C18 C 0.7884(3) 0.0058(2) 0.6194(2) 0.0721(10) Uani 1 1 d . . . . . H18 H 0.790253 -0.038369 0.653185 0.086 Uiso 1 1 calc R U . . . C19 C 0.7429(3) 0.0790(2) 0.6330(2) 0.0700(10) Uani 1 1 d . . . . . H19 H 0.713522 0.084600 0.676255 0.084 Uiso 1 1 calc R U . . . C20 C 0.7403(2) 0.1446(2) 0.58289(17) 0.0548(8) Uani 1 1 d . . . . . H20 H 0.709563 0.194334 0.592828 0.066 Uiso 1 1 calc R U . . . C21 C 0.55105(19) 0.13426(16) 0.38937(15) 0.0401(6) Uani 1 1 d . . . . . C22 C 0.5183(3) 0.05769(19) 0.41002(19) 0.0621(9) Uani 1 1 d . . . . . H22 H 0.494890 0.051457 0.455785 0.075 Uiso 1 1 calc R U . . . C23 C 0.5203(3) -0.0096(2) 0.3624(2) 0.0725(10) Uani 1 1 d . . . . . H23 H 0.500291 -0.061522 0.377264 0.087 Uiso 1 1 calc R U . . . C24 C 0.5516(3) -0.0011(2) 0.2933(2) 0.0691(10) Uani 1 1 d . . . . . H24 H 0.551326 -0.046510 0.261073 0.083 Uiso 1 1 calc R U . . . C25 C 0.5832(3) 0.0753(2) 0.2725(2) 0.0696(10) Uani 1 1 d . . . . . H25 H 0.604733 0.081589 0.226092 0.084 Uiso 1 1 calc R U . . . C26 C 0.5831(2) 0.14305(19) 0.32027(17) 0.0511(7) Uani 1 1 d . . . . . H26 H 0.604737 0.194619 0.305833 0.061 Uiso 1 1 calc R U . . . C27 C 0.46270(19) 0.26447(16) 0.52427(14) 0.0372(6) Uani 1 1 d . . . . . C28 C 0.36936(19) 0.25841(17) 0.55929(14) 0.0392(6) Uani 1 1 d . . . . . C29 C 0.3383(2) 0.3246(2) 0.59924(19) 0.0572(8) Uani 1 1 d . . . . . H29 H 0.377337 0.372976 0.605278 0.069 Uiso 1 1 calc R U . . . C30 C 0.2504(2) 0.3200(2) 0.6302(2) 0.0650(9) Uani 1 1 d . . . . . H30 H 0.230372 0.365425 0.656113 0.078 Uiso 1 1 calc R U . . . C31 C 0.1921(2) 0.2492(2) 0.62320(17) 0.0537(8) Uani 1 1 d . . . . . C32 C 0.2227(2) 0.1820(2) 0.58578(17) 0.0547(8) Uani 1 1 d . . . . . H32 H 0.184610 0.133170 0.581833 0.066 Uiso 1 1 calc R U . . . C33 C 0.3104(2) 0.18672(19) 0.55379(16) 0.0495(7) Uani 1 1 d . . . . . H33 H 0.330134 0.140924 0.528156 0.059 Uiso 1 1 calc R U . . . C34 C 0.0300(3) 0.1903(3) 0.6353(2) 0.0824(12) Uani 1 1 d . . . . . H34A H 0.010064 0.188881 0.580835 0.124 Uiso 1 1 calc R U . . . H34B H -0.028673 0.203125 0.657769 0.124 Uiso 1 1 calc R U . . . H34C H 0.056974 0.137127 0.653255 0.124 Uiso 1 1 calc R U . . . C35 C 0.6706(10) 0.4067(7) 0.5588(8) 0.042(5) Uani 0.328(3) 1 d DG U P A 1 C36 C 0.6640(10) 0.4863(9) 0.5281(7) 0.056(5) Uani 0.328(3) 1 d G . P A 1 H36 H 0.619624 0.496945 0.482433 0.067 Uiso 0.328(3) 1 calc R U P A 1 C37 C 0.7236(10) 0.5500(6) 0.5657(9) 0.054(4) Uani 0.328(3) 1 d G . P A 1 H37 H 0.719162 0.603190 0.545196 0.065 Uiso 0.328(3) 1 calc R U P A 1 C38 C 0.7899(11) 0.5340(8) 0.6341(9) 0.077(6) Uani 0.328(3) 1 d G U P A 1 H38 H 0.829800 0.576639 0.659213 0.092 Uiso 0.328(3) 1 calc R U P A 1 C39 C 0.7965(10) 0.4545(10) 0.6648(7) 0.064(5) Uani 0.328(3) 1 d G . P A 1 H39 H 0.840900 0.443843 0.710465 0.077 Uiso 0.328(3) 1 calc R U P A 1 C40 C 0.7369(10) 0.3908(7) 0.6272(8) 0.049(5) Uani 0.328(3) 1 d G . P A 1 H40 H 0.741362 0.337597 0.647703 0.059 Uiso 0.328(3) 1 calc R U P A 1 C35' C 0.6697(11) 0.4076(7) 0.5584(8) 0.044(5) Uani 0.304(3) 1 d DG U P A 2 C36' C 0.6933(11) 0.4781(8) 0.5200(7) 0.058(5) Uani 0.304(3) 1 d G . P A 2 H36' H 0.666442 0.484612 0.468442 0.069 Uiso 0.304(3) 1 calc R U P A 2 C37' C 0.7569(10) 0.5388(6) 0.5587(9) 0.067(5) Uani 0.304(3) 1 d G . P A 2 H37' H 0.772667 0.585950 0.533076 0.080 Uiso 0.304(3) 1 calc R U P A 2 C38' C 0.7970(11) 0.5290(8) 0.6358(9) 0.073(6) Uani 0.304(3) 1 d G . P A 2 H38' H 0.839613 0.569643 0.661732 0.088 Uiso 0.304(3) 1 calc R U P A 2 C39' C 0.7735(12) 0.4585(10) 0.6742(7) 0.060(4) Uani 0.304(3) 1 d G . P A 2 H39' H 0.800335 0.451997 0.725755 0.072 Uiso 0.304(3) 1 calc R U P A 2 C40' C 0.7099(11) 0.3978(7) 0.6355(8) 0.044(4) Uani 0.304(3) 1 d G . P A 2 H40' H 0.694110 0.350657 0.661122 0.053 Uiso 0.304(3) 1 calc R U P A 2 C35" C 0.6701(7) 0.4061(6) 0.5535(6) 0.050(4) Uani 0.368(3) 1 d DG U P A 3 C36" C 0.6333(7) 0.4868(7) 0.5419(6) 0.075(4) Uani 0.368(3) 1 d G . P A 3 H36" H 0.571002 0.496678 0.509633 0.090 Uiso 0.368(3) 1 calc R U P A 3 C37" C 0.6897(9) 0.5527(5) 0.5784(7) 0.075(4) Uani 0.368(3) 1 d G . P A 3 H37" H 0.665131 0.606673 0.570616 0.090 Uiso 0.368(3) 1 calc R U P A 3 C38" C 0.7829(8) 0.5379(6) 0.6266(7) 0.088(6) Uani 0.368(3) 1 d G . P A 3 H38" H 0.820617 0.581990 0.651012 0.106 Uiso 0.368(3) 1 calc R U P A 3 C39" C 0.8196(7) 0.4572(7) 0.6382(7) 0.114(7) Uani 0.368(3) 1 d G . P A 3 H39" H 0.881974 0.447313 0.670425 0.137 Uiso 0.368(3) 1 calc R U P A 3 C40" C 0.7632(8) 0.3913(5) 0.6017(7) 0.080(5) Uani 0.368(3) 1 d G . P A 3 H40" H 0.787846 0.337316 0.609441 0.096 Uiso 0.368(3) 1 calc R U P A 3 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 Fe1 0.0352(2) 0.0485(2) 0.0508(2) -0.0028(2) 0.01876(17) -0.00318(18) O1 0.0408(11) 0.1012(18) 0.0649(14) 0.0118(13) 0.0241(10) 0.0065(11) O2 0.0488(13) 0.110(2) 0.0955(19) -0.0256(16) 0.0421(13) -0.0128(13) N1 0.0300(11) 0.0399(12) 0.0619(15) -0.0042(11) 0.0118(10) -0.0030(9) N2 0.0361(11) 0.0445(13) 0.0524(14) -0.0003(11) 0.0133(10) 0.0005(10) N3 0.0360(11) 0.0486(14) 0.0511(14) 0.0032(11) 0.0148(10) 0.0003(10) N4 0.0440(12) 0.0435(13) 0.0421(12) -0.0001(10) 0.0150(10) -0.0056(10) N5 0.0449(12) 0.0407(13) 0.0424(12) -0.0003(10) 0.0198(10) -0.0011(10) N6 0.0359(11) 0.0482(13) 0.0408(12) -0.0022(10) 0.0135(9) -0.0030(10) N7 0.0365(11) 0.0469(13) 0.0483(13) -0.0041(11) 0.0149(10) -0.0036(10) N8 0.0368(11) 0.0441(13) 0.0512(13) -0.0009(11) 0.0114(10) -0.0043(10) C1 0.0393(14) 0.0389(15) 0.0622(18) -0.0079(14) 0.0024(13) -0.0009(12) C2 0.0433(17) 0.072(2) 0.072(2) 0.0050(18) 0.0082(15) 0.0084(15) C3 0.0498(19) 0.091(3) 0.088(3) -0.001(2) 0.0065(19) 0.0226(19) C4 0.069(2) 0.056(2) 0.100(3) 0.004(2) -0.004(2) 0.0183(18) C5 0.069(2) 0.058(2) 0.110(3) 0.022(2) 0.005(2) -0.0035(18) C6 0.0460(17) 0.055(2) 0.103(3) 0.0119(19) 0.0125(18) -0.0043(15) C7 0.0332(13) 0.0457(15) 0.0416(14) -0.0014(12) 0.0104(11) -0.0032(11) C8 0.0357(13) 0.0396(14) 0.0427(14) 0.0007(11) 0.0110(11) -0.0003(11) C9 0.0346(13) 0.0548(17) 0.0459(15) 0.0030(13) 0.0052(12) 0.0040(12) C10 0.0463(15) 0.0598(18) 0.0401(15) 0.0034(14) 0.0126(12) 0.0030(14) C11 0.0354(14) 0.0486(16) 0.0516(17) -0.0006(13) 0.0149(12) -0.0013(12) C12 0.0363(14) 0.0605(19) 0.0514(17) 0.0090(14) 0.0071(12) 0.0045(13) C13 0.0458(16) 0.0638(19) 0.0439(16) 0.0117(14) 0.0116(13) 0.0075(14) C14 0.0348(17) 0.151(4) 0.099(3) 0.019(3) 0.0210(19) 0.010(2) C15 0.0433(14) 0.0426(15) 0.0442(15) 0.0026(12) 0.0096(12) -0.0070(12) C16 0.090(3) 0.0490(19) 0.060(2) 0.0000(16) 0.0287(18) 0.0016(17) C17 0.111(3) 0.0459(19) 0.085(3) 0.0042(19) 0.028(2) 0.005(2) C18 0.091(3) 0.057(2) 0.068(2) 0.0213(18) 0.016(2) -0.0105(19) C19 0.078(2) 0.077(3) 0.061(2) 0.0159(18) 0.0282(18) -0.002(2) C20 0.0601(19) 0.0548(19) 0.0527(18) 0.0071(14) 0.0189(15) 0.0035(15) C21 0.0379(13) 0.0401(15) 0.0447(15) -0.0026(12) 0.0137(11) -0.0018(11) C22 0.083(2) 0.0495(19) 0.060(2) -0.0009(15) 0.0288(18) -0.0083(16) C23 0.094(3) 0.0392(18) 0.091(3) -0.0011(17) 0.033(2) -0.0082(17) C24 0.068(2) 0.050(2) 0.096(3) -0.0287(19) 0.031(2) -0.0069(16) C25 0.077(2) 0.071(2) 0.072(2) -0.0240(18) 0.0428(19) -0.0130(18) C26 0.0544(17) 0.0485(17) 0.0571(18) -0.0055(14) 0.0282(14) -0.0107(13) C27 0.0344(13) 0.0435(15) 0.0344(13) 0.0016(11) 0.0076(10) 0.0004(11) C28 0.0340(12) 0.0486(16) 0.0355(14) -0.0024(11) 0.0079(11) -0.0005(11) C29 0.0467(16) 0.0549(19) 0.075(2) -0.0130(16) 0.0244(15) -0.0079(14) C30 0.0520(18) 0.065(2) 0.086(2) -0.0213(18) 0.0316(17) 0.0002(16) C31 0.0363(14) 0.076(2) 0.0523(17) -0.0080(15) 0.0166(13) -0.0051(14) C32 0.0466(16) 0.062(2) 0.0591(19) -0.0059(15) 0.0184(14) -0.0144(14) C33 0.0474(16) 0.0528(17) 0.0519(17) -0.0084(14) 0.0184(14) -0.0067(13) C34 0.0443(18) 0.125(3) 0.082(3) -0.001(2) 0.0225(18) -0.019(2) C35 0.035(6) 0.040(6) 0.053(6) -0.006(4) 0.013(3) -0.005(4) C36 0.069(10) 0.041(5) 0.063(8) -0.004(4) 0.026(7) 0.005(5) C37 0.060(9) 0.035(5) 0.075(7) -0.006(5) 0.034(6) 0.005(5) C38 0.076(8) 0.075(7) 0.080(7) -0.004(4) 0.017(4) -0.008(4) C39 0.048(8) 0.078(7) 0.066(8) -0.003(6) 0.010(6) -0.016(5) C40 0.022(7) 0.063(7) 0.064(7) 0.003(5) 0.014(5) -0.003(5) C35' 0.039(7) 0.042(6) 0.051(5) -0.005(4) 0.011(4) -0.005(4) C36' 0.074(10) 0.049(6) 0.051(6) -0.002(5) 0.013(6) -0.011(6) C37' 0.072(11) 0.041(6) 0.089(8) -0.014(6) 0.018(7) -0.008(6) C38' 0.075(12) 0.051(8) 0.089(8) -0.032(7) 0.005(6) -0.030(7) C39' 0.049(8) 0.061(6) 0.068(7) -0.022(5) 0.011(6) -0.003(5) C40' 0.035(9) 0.047(6) 0.053(5) -0.005(4) 0.015(5) 0.000(5) C35" 0.046(5) 0.051(5) 0.057(5) -0.002(4) 0.018(3) -0.007(4) C36" 0.079(8) 0.057(5) 0.089(9) -0.010(5) 0.012(7) 0.008(4) C37" 0.088(9) 0.051(5) 0.094(9) -0.013(5) 0.039(7) -0.003(5) C38" 0.088(9) 0.052(6) 0.122(13) -0.022(8) 0.015(8) -0.035(6) C39" 0.084(9) 0.067(6) 0.168(16) -0.022(7) -0.039(10) -0.023(5) C40" 0.064(7) 0.040(5) 0.122(11) -0.006(6) -0.016(7) -0.014(4) _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 Fe1 N5 1.854(2) . ? Fe1 N8 1.855(2) . ? Fe1 N4 1.869(2) . ? Fe1 N1 1.880(2) . ? O1 C11 1.366(3) . ? O1 C14 1.422(4) . ? O2 C31 1.377(3) . ? O2 C34 1.410(4) . ? N1 N2 1.322(3) . ? N1 C1 1.442(4) . ? N2 C7 1.337(3) . ? N3 N4 1.319(3) . ? N3 C7 1.342(3) . ? N4 C15 1.439(3) . ? N5 N6 1.319(3) . ? N5 C21 1.435(3) . ? N6 C27 1.341(3) . ? N7 N8 1.326(3) . ? N7 C27 1.344(3) . ? N8 C35" 1.412(7) . ? N8 C35 1.458(8) . ? N8 C35' 1.459(8) . ? C1 C6 1.381(4) . ? C1 C2 1.387(4) . ? C2 C3 1.382(5) . ? C2 H2 0.9300 . ? C3 C4 1.372(5) . ? C3 H3 0.9300 . ? C4 C5 1.373(5) . ? C4 H4 0.9300 . ? C5 C6 1.380(5) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C7 C8 1.493(3) . ? C8 C9 1.385(4) . ? C8 C13 1.397(4) . ? C9 C10 1.377(4) . ? C9 H9 0.9300 . ? C10 C11 1.390(4) . ? C10 H10 0.9300 . ? C11 C12 1.383(4) . ? C12 C13 1.382(4) . ? C12 H12 0.9300 . ? C13 H13 0.9300 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 C16 1.383(4) . ? C15 C20 1.390(4) . ? C16 C17 1.381(5) . ? C16 H16 0.9300 . ? C17 C18 1.377(5) . ? C17 H17 0.9300 . ? C18 C19 1.366(5) . ? C18 H18 0.9300 . ? C19 C20 1.381(4) . ? C19 H19 0.9300 . ? C20 H20 0.9300 . ? C21 C22 1.380(4) . ? C21 C26 1.383(4) . ? C22 C23 1.380(4) . ? C22 H22 0.9300 . ? C23 C24 1.379(5) . ? C23 H23 0.9300 . ? C24 C25 1.371(5) . ? C24 H24 0.9300 . ? C25 C26 1.385(4) . ? C25 H25 0.9300 . ? C26 H26 0.9300 . ? C27 C28 1.487(3) . ? C28 C29 1.387(4) . ? C28 C33 1.387(4) . ? C29 C30 1.380(4) . ? C29 H29 0.9300 . ? C30 C31 1.369(4) . ? C30 H30 0.9300 . ? C31 C32 1.371(4) . ? C32 C33 1.387(4) . ? C32 H32 0.9300 . ? C33 H33 0.9300 . ? C34 H34A 0.9600 . ? C34 H34B 0.9600 . ? C34 H34C 0.9600 . ? C35 C36 1.3900 . ? C35 C40 1.3900 . ? C36 C37 1.3900 . ? C36 H36 0.9300 . ? C37 C38 1.3900 . ? C37 H37 0.9300 . ? C38 C39 1.3900 . ? C38 H38 0.9300 . ? C39 C40 1.3900 . ? C39 H39 0.9300 . ? C40 H40 0.9300 . ? C35' C36' 1.3900 . ? C35' C40' 1.3900 . ? C36' C37' 1.3900 . ? C36' H36' 0.9300 . ? C37' C38' 1.3900 . ? C37' H37' 0.9300 . ? C38' C39' 1.3900 . ? C38' H38' 0.9300 . ? C39' C40' 1.3900 . ? C39' H39' 0.9300 . ? C40' H40' 0.9300 . ? C35" C36" 1.3900 . ? C35" C40" 1.3900 . ? C36" C37" 1.3900 . ? C36" H36" 0.9300 . ? C37" C38" 1.3900 . ? C37" H37" 0.9300 . ? C38" C39" 1.3900 . ? C38" H38" 0.9300 . ? C39" C40" 1.3900 . ? C39" H39" 0.9300 . ? C40" H40" 0.9300 . ? 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 N5 Fe1 N8 90.63(9) . . ? N5 Fe1 N4 104.53(10) . . ? N8 Fe1 N4 130.06(10) . . ? N5 Fe1 N1 128.09(10) . . ? N8 Fe1 N1 115.48(10) . . ? N4 Fe1 N1 91.98(9) . . ? C11 O1 C14 118.0(3) . . ? C31 O2 C34 118.5(3) . . ? N2 N1 C1 110.8(2) . . ? N2 N1 Fe1 127.29(18) . . ? C1 N1 Fe1 121.47(17) . . ? N1 N2 C7 120.6(2) . . ? N4 N3 C7 119.1(2) . . ? N3 N4 C15 111.1(2) . . ? N3 N4 Fe1 129.06(18) . . ? C15 N4 Fe1 119.85(17) . . ? N6 N5 C21 112.0(2) . . ? N6 N5 Fe1 130.10(18) . . ? C21 N5 Fe1 117.89(16) . . ? N5 N6 C27 120.0(2) . . ? N8 N7 C27 119.5(2) . . ? N7 N8 C35" 112.4(5) . . ? N7 N8 C35 109.7(6) . . ? N7 N8 C35' 109.5(7) . . ? N7 N8 Fe1 129.84(17) . . ? C35" N8 Fe1 116.9(5) . . ? C35 N8 Fe1 119.2(6) . . ? C35' N8 Fe1 119.5(7) . . ? C6 C1 C2 117.7(3) . . ? C6 C1 N1 122.2(3) . . ? C2 C1 N1 120.1(3) . . ? C3 C2 C1 120.7(3) . . ? C3 C2 H2 119.7 . . ? C1 C2 H2 119.7 . . ? C4 C3 C2 121.2(3) . . ? C4 C3 H3 119.4 . . ? C2 C3 H3 119.4 . . ? C3 C4 C5 118.2(3) . . ? C3 C4 H4 120.9 . . ? C5 C4 H4 120.9 . . ? C4 C5 C6 121.1(4) . . ? C4 C5 H5 119.4 . . ? C6 C5 H5 119.4 . . ? C5 C6 C1 121.1(3) . . ? C5 C6 H6 119.5 . . ? C1 C6 H6 119.5 . . ? N2 C7 N3 131.0(2) . . ? N2 C7 C8 114.7(2) . . ? N3 C7 C8 114.2(2) . . ? C9 C8 C13 118.1(2) . . ? C9 C8 C7 121.2(2) . . ? C13 C8 C7 120.7(2) . . ? C10 C9 C8 120.8(3) . . ? C10 C9 H9 119.6 . . ? C8 C9 H9 119.6 . . ? C9 C10 C11 120.5(3) . . ? C9 C10 H10 119.7 . . ? C11 C10 H10 119.7 . . ? O1 C11 C12 125.0(3) . . ? O1 C11 C10 115.5(2) . . ? C12 C11 C10 119.5(2) . . ? C13 C12 C11 119.5(3) . . ? C13 C12 H12 120.2 . . ? C11 C12 H12 120.2 . . ? C12 C13 C8 121.5(3) . . ? C12 C13 H13 119.3 . . ? C8 C13 H13 119.3 . . ? O1 C14 H14A 109.5 . . ? O1 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O1 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C16 C15 C20 118.9(3) . . ? C16 C15 N4 121.3(3) . . ? C20 C15 N4 119.8(3) . . ? C17 C16 C15 119.8(3) . . ? C17 C16 H16 120.1 . . ? C15 C16 H16 120.1 . . ? C18 C17 C16 121.0(3) . . ? C18 C17 H17 119.5 . . ? C16 C17 H17 119.5 . . ? C19 C18 C17 119.5(3) . . ? C19 C18 H18 120.3 . . ? C17 C18 H18 120.3 . . ? C18 C19 C20 120.3(3) . . ? C18 C19 H19 119.8 . . ? C20 C19 H19 119.8 . . ? C19 C20 C15 120.5(3) . . ? C19 C20 H20 119.7 . . ? C15 C20 H20 119.7 . . ? C22 C21 C26 119.5(3) . . ? C22 C21 N5 120.1(2) . . ? C26 C21 N5 120.3(2) . . ? C21 C22 C23 119.7(3) . . ? C21 C22 H22 120.2 . . ? C23 C22 H22 120.2 . . ? C24 C23 C22 121.0(3) . . ? C24 C23 H23 119.5 . . ? C22 C23 H23 119.5 . . ? C25 C24 C23 119.2(3) . . ? C25 C24 H24 120.4 . . ? C23 C24 H24 120.4 . . ? C24 C25 C26 120.4(3) . . ? C24 C25 H25 119.8 . . ? C26 C25 H25 119.8 . . ? C21 C26 C25 120.2(3) . . ? C21 C26 H26 119.9 . . ? C25 C26 H26 119.9 . . ? N6 C27 N7 129.3(2) . . ? N6 C27 C28 115.1(2) . . ? N7 C27 C28 115.6(2) . . ? C29 C28 C33 117.4(2) . . ? C29 C28 C27 120.9(2) . . ? C33 C28 C27 121.7(2) . . ? C30 C29 C28 121.0(3) . . ? C30 C29 H29 119.5 . . ? C28 C29 H29 119.5 . . ? C31 C30 C29 120.8(3) . . ? C31 C30 H30 119.6 . . ? C29 C30 H30 119.6 . . ? C30 C31 C32 119.3(3) . . ? C30 C31 O2 115.8(3) . . ? C32 C31 O2 124.9(3) . . ? C31 C32 C33 120.1(3) . . ? C31 C32 H32 120.0 . . ? C33 C32 H32 120.0 . . ? C28 C33 C32 121.3(3) . . ? C28 C33 H33 119.3 . . ? C32 C33 H33 119.3 . . ? O2 C34 H34A 109.5 . . ? O2 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O2 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C36 C35 C40 120.0 . . ? C36 C35 N8 119.7(10) . . ? C40 C35 N8 120.3(10) . . ? C35 C36 C37 120.0 . . ? C35 C36 H36 120.0 . . ? C37 C36 H36 120.0 . . ? C38 C37 C36 120.0 . . ? C38 C37 H37 120.0 . . ? C36 C37 H37 120.0 . . ? C37 C38 C39 120.0 . . ? C37 C38 H38 120.0 . . ? C39 C38 H38 120.0 . . ? C40 C39 C38 120.0 . . ? C40 C39 H39 120.0 . . ? C38 C39 H39 120.0 . . ? C39 C40 C35 120.0 . . ? C39 C40 H40 120.0 . . ? C35 C40 H40 120.0 . . ? C36' C35' C40' 120.0 . . ? C36' C35' N8 121.5(9) . . ? C40' C35' N8 118.3(9) . . ? C35' C36' C37' 120.0 . . ? C35' C36' H36' 120.0 . . ? C37' C36' H36' 120.0 . . ? C38' C37' C36' 120.0 . . ? C38' C37' H37' 120.0 . . ? C36' C37' H37' 120.0 . . ? C37' C38' C39' 120.0 . . ? C37' C38' H38' 120.0 . . ? C39' C38' H38' 120.0 . . ? C40' C39' C38' 120.0 . . ? C40' C39' H39' 120.0 . . ? C38' C39' H39' 120.0 . . ? C39' C40' C35' 120.0 . . ? C39' C40' H40' 120.0 . . ? C35' C40' H40' 120.0 . . ? C36" C35" C40" 120.0 . . ? C36" C35" N8 118.8(7) . . ? C40" C35" N8 121.1(7) . . ? C35" C36" C37" 120.0 . . ? C35" C36" H36" 120.0 . . ? C37" C36" H36" 120.0 . . ? C38" C37" C36" 120.0 . . ? C38" C37" H37" 120.0 . . ? C36" C37" H37" 120.0 . . ? C39" C38" C37" 120.0 . . ? C39" C38" H38" 120.0 . . ? C37" C38" H38" 120.0 . . ? C38" C39" C40" 120.0 . . ? C38" C39" H39" 120.0 . . ? C40" C39" H39" 120.0 . . ? C39" C40" C35" 120.0 . . ? C39" C40" H40" 120.0 . . ? C35" C40" H40" 120.0 . . ? _refine_diff_density_max 0.272 _refine_diff_density_min -0.317 _refine_diff_density_rms 0.058 _shelx_res_file ; TITL mo_molan508e_350K_0m_a.res in P2(1)/n mo_molan508e_350k_0m_a_sq.res created by SHELXL-2018/1 at 14:42:25 on 22-Oct-2018 REM Old TITL mo_molan508e_350K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.187, Rweak 0.005, Alpha 0.033, Orientation as input REM Formula found by SHELXT: C43 N8 O2 Fe CELL 0.71073 13.2515 16.1043 17.8426 90.000 100.514 90.000 ZERR 4.000 0.0036 0.0052 0.0054 0.000 0.012 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C N O FE H UNIT 160 32 8 4 136 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP 76.890 SIZE 0.080 0.360 0.620 L.S. 5 0 23 BOND $H dfix 1.44 0.01 N8 C35 N8 C35' N8 C35" rigu 0.002 C35 > C40 rigu 0.002 C35' > C40' rigu 0.002 C35" > C40" sump 1 0.0001 1 2 1 3 1 4 isor 0.005 C38 c35 C35' C35" PLAN 5 ACTA ABIN WGHT 0.052900 2.874600 FVAR 0.20859 0.32765 0.30387 0.36848 FE1 4 0.663980 0.275475 0.449783 11.00000 0.03518 0.04850 = 0.05076 -0.00277 0.01876 -0.00318 O1 3 1.226693 0.255995 0.252629 11.00000 0.04084 0.10116 = 0.06486 0.01182 0.02405 0.00648 O2 3 0.105881 0.251622 0.656009 11.00000 0.04877 0.10952 = 0.09553 -0.02564 0.04212 -0.01279 N1 2 0.713005 0.334382 0.372830 11.00000 0.03000 0.03993 = 0.06187 -0.00417 0.01182 -0.00298 N2 2 0.796339 0.318362 0.344445 11.00000 0.03609 0.04454 = 0.05243 -0.00029 0.01332 0.00048 N3 2 0.861593 0.208847 0.434718 11.00000 0.03599 0.04859 = 0.05111 0.00320 0.01485 0.00034 N4 2 0.778515 0.205602 0.465560 11.00000 0.04399 0.04355 = 0.04209 -0.00007 0.01500 -0.00564 N5 2 0.552640 0.204017 0.439623 11.00000 0.04489 0.04065 = 0.04239 -0.00028 0.01979 -0.00111 N6 2 0.470842 0.206148 0.472036 11.00000 0.03587 0.04820 = 0.04080 -0.00222 0.01348 -0.00305 N7 2 0.527167 0.326862 0.549961 11.00000 0.03647 0.04689 = 0.04829 -0.00411 0.01493 -0.00362 N8 2 0.609046 0.339981 0.518543 11.00000 0.03677 0.04411 = 0.05120 -0.00089 0.01140 -0.00427 C1 1 0.653102 0.399097 0.329962 11.00000 0.03928 0.03888 = 0.06220 -0.00794 0.00243 -0.00091 C2 1 0.550914 0.409756 0.335655 11.00000 0.04334 0.07245 = 0.07165 0.00505 0.00816 0.00841 AFIX 43 H2 5 0.520665 0.373753 0.365803 11.00000 -1.20000 AFIX 0 C3 1 0.493558 0.473346 0.296976 11.00000 0.04981 0.09083 = 0.08833 -0.00115 0.00646 0.02256 AFIX 43 H3 5 0.425358 0.479819 0.301963 11.00000 -1.20000 AFIX 0 C4 1 0.535355 0.527075 0.251380 11.00000 0.06868 0.05565 = 0.10020 0.00434 -0.00424 0.01832 AFIX 43 H4 5 0.496594 0.570018 0.225796 11.00000 -1.20000 AFIX 0 C5 1 0.635971 0.515734 0.244536 11.00000 0.06934 0.05788 = 0.11014 0.02202 0.00520 -0.00352 AFIX 43 H5 5 0.665332 0.550990 0.213238 11.00000 -1.20000 AFIX 0 C6 1 0.694254 0.452896 0.283323 11.00000 0.04598 0.05481 = 0.10344 0.01191 0.01248 -0.00434 AFIX 43 H6 5 0.762348 0.446689 0.277958 11.00000 -1.20000 AFIX 0 C7 1 0.864704 0.262381 0.377516 11.00000 0.03318 0.04569 = 0.04160 -0.00142 0.01042 -0.00320 C8 1 0.960799 0.257977 0.345104 11.00000 0.03574 0.03964 = 0.04270 0.00075 0.01099 -0.00030 C9 1 0.960600 0.276731 0.269307 11.00000 0.03462 0.05485 = 0.04588 0.00301 0.00521 0.00402 AFIX 43 H9 5 0.899408 0.291448 0.237697 11.00000 -1.20000 AFIX 0 C10 1 1.049847 0.273856 0.240188 11.00000 0.04635 0.05975 = 0.04013 0.00336 0.01256 0.00296 AFIX 43 H10 5 1.048166 0.285635 0.188948 11.00000 -1.20000 AFIX 0 C11 1 1.142461 0.253485 0.286769 11.00000 0.03537 0.04862 = 0.05156 -0.00065 0.01492 -0.00130 C12 1 1.144131 0.233812 0.362422 11.00000 0.03625 0.06048 = 0.05135 0.00895 0.00713 0.00447 AFIX 43 H12 5 1.205521 0.219361 0.393916 11.00000 -1.20000 AFIX 0 C13 1 1.053926 0.235780 0.390895 11.00000 0.04581 0.06378 = 0.04393 0.01169 0.01164 0.00752 AFIX 43 H13 5 1.055265 0.222014 0.441687 11.00000 -1.20000 AFIX 0 C14 1 1.324014 0.238452 0.298198 11.00000 0.03482 0.15075 = 0.09939 0.01878 0.02096 0.00974 AFIX 137 H14A 5 1.376626 0.245311 0.268172 11.00000 -1.50000 H14B 5 1.324791 0.182325 0.316420 11.00000 -1.50000 H14C 5 1.336337 0.275874 0.340771 11.00000 -1.50000 AFIX 0 C15 1 0.783193 0.136961 0.517739 11.00000 0.04331 0.04262 = 0.04417 0.00256 0.00958 -0.00703 C16 1 0.829164 0.062750 0.504207 11.00000 0.09012 0.04901 = 0.05983 0.00000 0.02867 0.00157 AFIX 43 H16 5 0.858405 0.056542 0.460953 11.00000 -1.20000 AFIX 0 C17 1 0.831538 -0.002132 0.555103 11.00000 0.11078 0.04594 = 0.08479 0.00425 0.02841 0.00533 AFIX 43 H17 5 0.862718 -0.051887 0.545852 11.00000 -1.20000 AFIX 0 C18 1 0.788407 0.005772 0.619354 11.00000 0.09140 0.05695 = 0.06831 0.02133 0.01590 -0.01053 AFIX 43 H18 5 0.790253 -0.038369 0.653185 11.00000 -1.20000 AFIX 0 C19 1 0.742895 0.078954 0.633005 11.00000 0.07768 0.07717 = 0.06092 0.01588 0.02818 -0.00158 AFIX 43 H19 5 0.713522 0.084600 0.676255 11.00000 -1.20000 AFIX 0 C20 1 0.740285 0.144604 0.582892 11.00000 0.06012 0.05484 = 0.05271 0.00713 0.01894 0.00349 AFIX 43 H20 5 0.709563 0.194334 0.592828 11.00000 -1.20000 AFIX 0 C21 1 0.551047 0.134262 0.389366 11.00000 0.03787 0.04009 = 0.04468 -0.00257 0.01369 -0.00183 C22 1 0.518260 0.057688 0.410025 11.00000 0.08305 0.04954 = 0.05979 -0.00089 0.02875 -0.00831 AFIX 43 H22 5 0.494890 0.051457 0.455785 11.00000 -1.20000 AFIX 0 C23 1 0.520319 -0.009609 0.362444 11.00000 0.09384 0.03921 = 0.09072 -0.00113 0.03312 -0.00819 AFIX 43 H23 5 0.500291 -0.061522 0.377264 11.00000 -1.20000 AFIX 0 C24 1 0.551616 -0.001058 0.293264 11.00000 0.06762 0.05019 = 0.09572 -0.02868 0.03127 -0.00692 AFIX 43 H24 5 0.551326 -0.046510 0.261073 11.00000 -1.20000 AFIX 0 C25 1 0.583167 0.075284 0.272528 11.00000 0.07702 0.07130 = 0.07160 -0.02405 0.04282 -0.01296 AFIX 43 H25 5 0.604733 0.081589 0.226092 11.00000 -1.20000 AFIX 0 C26 1 0.583129 0.143053 0.320272 11.00000 0.05441 0.04845 = 0.05709 -0.00550 0.02816 -0.01068 AFIX 43 H26 5 0.604737 0.194619 0.305833 11.00000 -1.20000 AFIX 0 C27 1 0.462699 0.264471 0.524273 11.00000 0.03437 0.04347 = 0.03439 0.00164 0.00757 0.00041 C28 1 0.369362 0.258412 0.559288 11.00000 0.03396 0.04862 = 0.03547 -0.00238 0.00786 -0.00049 C29 1 0.338290 0.324641 0.599245 11.00000 0.04674 0.05489 = 0.07502 -0.01298 0.02440 -0.00794 AFIX 43 H29 5 0.377337 0.372976 0.605278 11.00000 -1.20000 AFIX 0 C30 1 0.250354 0.319958 0.630190 11.00000 0.05196 0.06459 = 0.08561 -0.02126 0.03158 0.00021 AFIX 43 H30 5 0.230372 0.365425 0.656113 11.00000 -1.20000 AFIX 0 C31 1 0.192145 0.249181 0.623198 11.00000 0.03633 0.07566 = 0.05227 -0.00799 0.01657 -0.00512 C32 1 0.222715 0.181982 0.585779 11.00000 0.04659 0.06187 = 0.05905 -0.00587 0.01842 -0.01436 AFIX 43 H32 5 0.184610 0.133170 0.581833 11.00000 -1.20000 AFIX 0 C33 1 0.310442 0.186724 0.553793 11.00000 0.04744 0.05284 = 0.05190 -0.00837 0.01844 -0.00674 AFIX 43 H33 5 0.330134 0.140924 0.528156 11.00000 -1.20000 AFIX 0 C34 1 0.030012 0.190299 0.635317 11.00000 0.04434 0.12523 = 0.08170 -0.00131 0.02246 -0.01948 AFIX 137 H34A 5 0.010064 0.188881 0.580835 11.00000 -1.50000 H34B 5 -0.028673 0.203125 0.657769 11.00000 -1.50000 H34C 5 0.056974 0.137127 0.653255 11.00000 -1.50000 AFIX 66 PART 1 21.00 C35 1 0.670624 0.406738 0.558844 21.00000 0.03502 0.03958 = 0.05253 -0.00596 0.01272 -0.00535 C36 1 0.663974 0.486302 0.528138 21.00000 0.06897 0.04109 = 0.06347 -0.00390 0.02551 0.00491 AFIX 43 H36 5 0.619624 0.496945 0.482433 21.00000 -1.20000 AFIX 65 C37 1 0.723612 0.549957 0.565742 21.00000 0.05965 0.03549 = 0.07469 -0.00604 0.03364 0.00544 AFIX 43 H37 5 0.719162 0.603190 0.545196 21.00000 -1.20000 AFIX 65 C38 1 0.789899 0.534049 0.634053 21.00000 0.07591 0.07490 = 0.08042 -0.00362 0.01676 -0.00809 AFIX 43 H38 5 0.829800 0.576639 0.659213 21.00000 -1.20000 AFIX 65 C39 1 0.796549 0.454486 0.664761 21.00000 0.04782 0.07796 = 0.06634 -0.00297 0.01047 -0.01550 AFIX 43 H39 5 0.840900 0.443843 0.710465 21.00000 -1.20000 AFIX 65 C40 1 0.736912 0.390830 0.627157 21.00000 0.02206 0.06273 = 0.06409 0.00271 0.01426 -0.00293 AFIX 43 H40 5 0.741362 0.337597 0.647703 21.00000 -1.20000 AFIX 66 PART 2 31.000 C35' 1 0.669744 0.407588 0.558373 31.00000 0.03930 0.04199 = 0.05079 -0.00492 0.01128 -0.00486 C36' 1 0.693278 0.478074 0.520015 31.00000 0.07355 0.04905 = 0.05076 -0.00205 0.01297 -0.01067 AFIX 43 H36' 5 0.666442 0.484612 0.468442 31.00000 -1.20000 AFIX 65 C37' 1 0.756921 0.538790 0.558740 31.00000 0.07163 0.04118 = 0.08898 -0.01384 0.01809 -0.00836 AFIX 43 H37' 5 0.772667 0.585950 0.533076 31.00000 -1.20000 AFIX 65 C38' 1 0.797031 0.529020 0.635823 31.00000 0.07528 0.05143 = 0.08887 -0.03212 0.00452 -0.02954 AFIX 43 H38' 5 0.839613 0.569643 0.661732 31.00000 -1.20000 AFIX 65 C39' 1 0.773498 0.458533 0.674181 31.00000 0.04912 0.06136 = 0.06832 -0.02242 0.01065 -0.00347 AFIX 43 H39' 5 0.800335 0.451997 0.725755 31.00000 -1.20000 AFIX 65 C40' 1 0.709855 0.397817 0.635457 31.00000 0.03543 0.04723 = 0.05261 -0.00458 0.01457 -0.00036 AFIX 43 H40' 5 0.694110 0.350657 0.661122 31.00000 -1.20000 AFIX 66 PART 3 41.000 C35" 1 0.670090 0.406092 0.553490 41.00000 0.04619 0.05083 = 0.05745 -0.00244 0.01772 -0.00653 C36" 1 0.633330 0.486783 0.541860 41.00000 0.07875 0.05664 = 0.08946 -0.01029 0.01194 0.00814 AFIX 43 H36" 5 0.571002 0.496678 0.509633 41.00000 -1.20000 AFIX 65 C37" 1 0.689727 0.552685 0.578398 41.00000 0.08756 0.05069 = 0.09410 -0.01309 0.03900 -0.00281 AFIX 43 H37" 5 0.665131 0.606673 0.570616 41.00000 -1.20000 AFIX 65 C38" 1 0.782884 0.537897 0.626566 41.00000 0.08848 0.05224 = 0.12156 -0.02183 0.01459 -0.03513 AFIX 43 H38" 5 0.820617 0.581990 0.651012 41.00000 -1.20000 AFIX 65 C39" 1 0.819645 0.457207 0.638197 41.00000 0.08355 0.06725 = 0.16752 -0.02157 -0.03893 -0.02309 AFIX 43 H39" 5 0.881974 0.447313 0.670425 41.00000 -1.20000 AFIX 65 C40" 1 0.763250 0.391304 0.601660 41.00000 0.06397 0.04034 = 0.12243 -0.00592 -0.01641 -0.01380 AFIX 43 H40" 5 0.787846 0.337316 0.609441 41.00000 -1.20000 part 0 AFIX 0 HKLF 4 REM mo_molan508e_350K_0m_a.res in P2(1)/n REM R1 = 0.0500 for 5124 Fo > 4sig(Fo) and 0.0971 for all 8197 data REM 537 parameters refined using 136 restraints END WGHT 0.0529 2.8746 REM Highest difference peak 0.272, deepest hole -0.317, 1-sigma level 0.058 Q1 1 0.7776 0.3430 0.4611 11.00000 0.05 0.27 Q2 1 1.0637 0.2580 0.4590 11.00000 0.05 0.27 Q3 1 0.0048 0.2798 0.6511 11.00000 0.05 0.25 Q4 1 0.7596 0.2054 0.2837 11.00000 0.05 0.22 Q5 1 0.7246 0.2019 0.3721 11.00000 0.05 0.21 ; _shelx_res_checksum 38999 _shelx_hkl_file ; -2 0 0 270.37 5.20 2 0 0 264.37 5.20 2 0 0 241.48 5.20 -2 0 0 261.07 5.20 3 0 0 -0.40 0.20 -3 0 0 -0.70 0.20 3 0 0 -0.80 0.20 4 0 0 347.17 6.90 4 0 0 343.97 6.90 -4 0 0 339.17 7.00 -4 0 0 347.87 7.00 5 0 0 1.00 0.30 -5 0 0 0.40 0.40 5 0 0 -0.40 0.30 -5 0 0 -0.40 0.30 -6 0 0 499.45 10.20 6 0 0 505.65 10.00 6 0 0 500.35 10.10 -6 0 0 513.25 10.20 -7 0 0 0.30 0.50 -7 0 0 0.90 0.50 7 0 0 0.30 0.40 7 0 0 0.60 0.40 8 0 0 67.59 1.80 -8 0 0 64.39 2.10 -8 0 0 67.09 2.20 8 0 0 65.09 1.80 9 0 0 -0.10 0.40 -9 0 0 0.90 0.70 -9 0 0 0.80 0.70 9 0 0 0.10 0.40 -10 0 0 173.18 4.50 10 0 0 173.88 3.70 -10 0 0 175.58 4.60 10 0 0 173.58 3.70 -11 0 0 1.50 0.90 -11 0 0 0.10 0.90 -12 0 0 10.10 1.30 -12 0 0 12.30 1.40 -13 0 0 -2.70 1.10 -13 0 0 -1.20 1.50 -14 0 0 4.40 1.50 -14 0 0 2.00 1.40 -15 0 0 0.50 1.50 -15 0 0 -1.10 2.00 -16 0 0 29.80 3.70 -16 0 0 16.60 2.30 2 -1 0 884.91 16.00 -2 -1 0 818.82 15.90 -2 -1 0 791.02 15.90 2 1 0 838.72 16.30 -2 1 0 750.62 16.30 -2 1 0 849.91 16.20 2 1 0 787.02 15.90 -3 -1 0 1283.17 25.90 3 -1 0 1399.66 26.30 3 -1 0 1341.67 26.20 -3 -1 0 1347.97 26.40 -3 1 0 1333.27 26.10 3 1 0 1321.77 26.10 3 1 0 1327.07 26.50 -3 1 0 1343.87 26.20 4 -1 0 6.90 0.40 -4 -1 0 7.40 0.70 -4 -1 0 6.40 0.70 4 -1 0 6.50 0.50 -4 1 0 7.10 0.50 4 1 0 6.40 0.60 -4 1 0 6.90 0.60 4 1 0 8.40 0.60 5 -1 0 89.99 1.90 5 -1 0 85.99 2.00 -5 -1 0 85.79 2.20 -5 -1 0 85.49 2.20 -5 1 0 86.59 2.10 -5 1 0 87.49 2.10 5 1 0 84.89 2.10 5 1 0 88.39 2.10 6 -1 0 22.90 0.80 6 -1 0 22.70 0.90 -6 -1 0 22.80 1.20 -6 -1 0 22.20 1.20 6 1 0 25.20 1.00 -6 1 0 22.20 1.10 -6 1 0 23.30 1.10 6 1 0 22.40 1.00 7 -1 0 94.29 2.10 -7 -1 0 91.39 2.50 7 -1 0 89.09 2.10 -7 -1 0 89.89 2.60 7 1 0 89.89 2.30 7 1 0 93.89 2.30 -7 1 0 90.79 2.40 -7 1 0 91.59 2.40 8 -1 0 2.60 0.40 -8 -1 0 2.90 0.70 8 -1 0 3.00 0.40 -8 -1 0 2.50 0.70 -8 1 0 2.20 0.60 8 1 0 2.40 0.50 -8 1 0 2.60 0.60 8 1 0 3.60 0.60 -9 -1 0 1.00 0.80 9 -1 0 0.80 0.30 9 -1 0 0.40 0.30 -9 -1 0 0.00 0.70 -9 1 0 0.90 0.70 9 1 0 0.30 0.50 -9 1 0 1.20 0.70 9 1 0 0.90 0.60 -10 -1 0 40.60 2.30 -10 -1 0 42.90 2.20 10 1 0 41.90 1.60 -10 1 0 45.20 2.10 -10 1 0 42.10 2.00 10 1 0 39.90 1.50 -11 -1 0 -0.50 1.00 -11 -1 0 0.00 0.90 11 1 0 -0.10 0.50 -11 1 0 -0.20 0.80 -11 1 0 1.70 0.90 11 1 0 0.20 0.50 -12 -1 0 13.90 1.50 -12 -1 0 11.70 1.50 12 1 0 10.20 0.90 12 1 0 12.50 0.80 -12 1 0 13.00 1.40 -12 1 0 13.40 1.40 -13 -1 0 -1.60 1.60 -13 -1 0 0.70 1.30 -13 1 0 -0.20 1.10 -13 1 0 -0.90 1.20 -14 -1 0 24.60 2.70 -14 -1 0 26.00 2.90 -14 1 0 24.70 2.70 -14 1 0 20.70 2.70 -15 -1 0 2.10 1.70 -15 -1 0 3.90 1.60 -15 1 0 2.00 1.50 -16 -1 0 12.20 2.20 -16 -1 0 11.80 2.20 -16 1 0 8.50 2.00 -16 1 0 13.30 2.10 1 -2 0 33.10 1.00 -1 -2 0 33.10 1.10 -2 -2 0 129.09 2.80 -2 -2 0 125.79 2.80 2 -2 0 124.19 2.60 2 -2 0 120.39 2.60 -2 2 0 123.69 2.60 -2 2 0 124.19 2.60 2 2 0 127.69 2.70 -3 -2 0 1.40 0.40 3 -2 0 0.70 0.20 -3 -2 0 1.50 0.40 3 -2 0 1.10 0.20 3 2 0 1.10 0.30 -3 2 0 0.90 0.30 -3 2 0 0.80 0.30 3 2 0 1.00 0.30 -4 -2 0 255.57 5.40 4 -2 0 253.87 5.10 4 -2 0 253.07 5.10 -4 -2 0 257.47 5.40 4 2 0 256.77 5.40 4 2 0 254.27 5.30 -4 2 0 256.87 5.20 -4 2 0 258.57 5.20 5 -2 0 129.19 2.70 -5 -2 0 128.89 3.10 -5 -2 0 128.79 3.10 5 -2 0 129.19 2.70 -5 2 0 132.29 2.90 5 2 0 129.39 3.00 -5 2 0 133.49 2.90 5 2 0 129.49 3.00 -6 -2 0 49.90 1.70 -6 -2 0 52.49 1.80 6 -2 0 52.09 1.30 6 -2 0 50.09 1.20 -6 2 0 50.59 1.50 -6 2 0 51.59 1.60 6 2 0 50.79 1.60 6 2 0 47.70 1.60 7 -2 0 184.28 3.50 -7 -2 0 169.38 4.10 7 -2 0 167.38 3.50 -7 -2 0 169.08 4.20 -7 2 0 171.48 3.90 7 2 0 171.88 3.90 -7 2 0 164.48 3.90 7 2 0 169.28 3.90 -8 -2 0 2.10 0.70 -8 -2 0 3.30 0.80 -8 2 0 2.90 0.60 8 2 0 3.40 0.60 -8 2 0 4.20 0.70 8 2 0 3.80 0.60 -9 -2 0 2.00 0.90 -9 -2 0 2.00 0.80 -9 2 0 0.90 0.70 9 2 0 1.10 0.60 -9 2 0 1.80 0.70 9 2 0 1.00 0.60 -10 -2 0 111.19 3.60 -10 -2 0 111.39 3.50 -10 2 0 110.99 3.30 10 2 0 113.89 3.00 -10 2 0 108.49 3.20 10 2 0 119.09 3.00 -11 -2 0 16.10 2.00 -11 -2 0 15.30 2.10 -11 2 0 18.70 1.80 -11 2 0 15.90 1.70 11 2 0 16.00 1.30 11 2 0 15.20 1.30 -12 -2 0 3.20 1.20 -12 -2 0 2.60 1.20 -12 2 0 3.90 1.10 -12 2 0 4.30 1.10 12 2 0 3.70 0.70 12 2 0 4.00 0.70 -13 -2 0 0.10 1.30 -13 -2 0 -1.50 1.30 -13 2 0 -1.00 1.10 13 2 0 1.00 0.50 13 2 0 0.50 0.50 -13 2 0 3.10 1.20 -14 -2 0 3.50 1.50 -14 -2 0 2.50 1.60 -14 2 0 5.70 1.50 -14 2 0 6.00 1.50 -15 -2 0 -2.00 1.60 -15 -2 0 1.30 1.60 -15 2 0 1.40 1.60 -15 2 0 -0.80 1.40 -16 -2 0 11.80 2.20 -16 -2 0 11.60 2.20 -16 2 0 14.20 2.10 -16 2 0 12.70 2.10 0 -3 0 0.10 0.30 0 -3 0 0.00 0.20 0 3 0 0.00 0.20 0 3 0 0.00 0.30 1 -3 0 82.99 1.90 1 -3 0 86.39 1.90 -1 -3 0 81.79 2.00 -1 -3 0 81.19 2.00 -1 3 0 83.79 1.90 -1 3 0 82.29 1.90 1 3 0 82.59 2.00 1 3 0 80.89 2.00 2 -3 0 12.20 0.60 -2 -3 0 13.00 0.80 2 -3 0 11.70 0.50 -2 -3 0 12.80 0.80 -2 3 0 11.00 0.60 2 3 0 13.80 0.80 -2 3 0 11.70 0.60 2 3 0 12.50 0.70 3 -3 0 3.90 0.40 -3 -3 0 3.40 0.50 -3 -3 0 5.20 0.70 3 -3 0 4.10 0.40 3 3 0 4.00 0.50 -3 3 0 3.80 0.50 -3 3 0 4.60 0.50 4 -3 0 153.28 3.20 -4 -3 0 156.68 3.60 4 -3 0 154.38 3.20 -4 -3 0 154.58 3.60 4 3 0 159.88 3.60 -4 3 0 158.38 3.40 4 3 0 152.08 3.50 -4 3 0 157.68 3.30 -5 -3 0 15.50 1.10 -5 -3 0 16.10 1.10 5 -3 0 14.70 0.60 5 -3 0 15.70 0.60 5 3 0 15.80 1.00 -5 3 0 15.90 0.80 -5 3 0 16.50 0.80 5 3 0 15.70 1.00 6 -3 0 14.40 0.70 -6 -3 0 11.00 1.10 6 -3 0 11.40 0.50 -6 -3 0 12.40 1.20 6 3 0 11.00 1.00 -6 3 0 11.50 0.80 -6 3 0 11.20 0.90 6 3 0 12.60 1.00 -7 -3 0 17.40 1.40 -7 -3 0 16.80 1.40 -7 3 0 17.80 1.10 7 3 0 18.70 1.20 7 3 0 17.40 1.20 -7 3 0 17.90 1.10 -8 -3 0 1.80 0.80 -8 -3 0 2.00 0.80 -8 3 0 2.50 0.60 8 3 0 2.40 0.60 8 3 0 2.20 0.60 -8 3 0 3.20 0.60 -9 -3 0 1.80 0.90 -9 -3 0 2.60 0.90 -9 3 0 3.30 0.80 9 3 0 2.30 0.70 -9 3 0 5.00 0.80 9 3 0 3.80 0.80 -10 -3 0 35.00 2.20 -10 -3 0 33.70 2.30 -10 3 0 34.10 1.80 10 3 0 33.70 1.70 10 3 0 33.30 1.80 -10 3 0 36.60 1.90 -11 -3 0 4.00 1.20 -11 -3 0 5.50 1.30 -11 3 0 5.50 1.00 11 3 0 6.80 0.90 11 3 0 6.70 0.90 -11 3 0 6.40 1.10 -12 -3 0 1.00 1.20 12 3 0 3.00 0.80 -12 3 0 3.90 1.00 -12 3 0 2.40 1.00 12 3 0 3.50 0.80 -13 -3 0 9.50 1.60 -13 -3 0 8.30 1.60 13 3 0 10.70 1.30 13 3 0 10.80 1.30 -13 3 0 8.40 1.30 -13 3 0 11.20 1.40 -14 -3 0 9.40 2.80 -14 -3 0 14.50 1.90 -14 3 0 11.20 1.50 -14 3 0 12.30 1.60 -15 -3 0 10.20 2.00 -15 -3 0 7.20 1.90 -15 3 0 7.70 1.70 -15 3 0 9.00 1.70 -16 -3 0 -1.20 2.10 -16 -3 0 2.50 2.00 -16 3 0 3.20 1.80 -16 3 0 -0.60 1.70 0 -4 0 4553.44 90.89 0 -4 0 4623.54 90.79 0 4 0 4747.33 91.59 0 4 0 4604.24 91.09 -1 -4 0 209.28 4.40 -1 -4 0 200.08 4.50 1 -4 0 204.88 4.30 -1 4 0 204.88 4.30 1 4 0 204.08 4.50 -1 4 0 205.58 4.40 1 4 0 209.78 4.40 -2 -4 0 68.79 1.90 2 -4 0 66.69 1.70 -2 -4 0 68.29 1.90 2 -4 0 69.59 1.70 -2 4 0 65.49 1.70 2 4 0 67.39 1.90 2 4 0 67.79 1.90 -3 -4 0 1.50 0.50 3 -4 0 2.10 0.30 3 -4 0 2.10 0.30 -3 -4 0 2.10 0.50 3 4 0 1.80 0.40 -3 4 0 2.10 0.40 -3 4 0 1.60 0.30 3 4 0 2.70 0.50 4 -4 0 122.49 2.70 -4 -4 0 126.79 3.10 4 -4 0 123.19 2.70 -4 -4 0 122.19 3.10 4 4 0 126.49 3.10 4 4 0 129.39 3.10 -4 4 0 124.19 2.80 -4 4 0 122.79 2.80 5 -4 0 3.50 0.50 -5 -4 0 3.10 0.70 -5 -4 0 3.30 0.70 5 -4 0 3.80 0.40 5 4 0 3.70 0.60 5 4 0 3.30 0.60 -5 4 0 3.90 0.50 -5 4 0 3.50 0.40 -6 -4 0 442.86 9.40 -6 -4 0 455.45 9.40 6 -4 0 446.46 8.70 6 -4 0 406.46 8.60 -6 4 0 443.46 9.00 -6 4 0 450.25 9.10 6 4 0 446.66 9.20 6 4 0 443.26 9.20 -7 -4 0 91.79 2.80 -7 -4 0 91.89 2.90 -7 4 0 91.79 2.40 7 4 0 93.19 2.70 7 4 0 93.79 2.60 -7 4 0 92.39 2.50 -8 -4 0 5.20 1.00 -8 -4 0 6.40 1.00 -8 4 0 6.20 0.70 8 4 0 6.30 0.80 -8 4 0 6.50 0.80 8 4 0 6.30 0.80 -9 -4 0 1.10 0.90 -9 -4 0 -0.90 0.90 -9 4 0 0.00 0.60 9 4 0 0.90 0.70 -9 4 0 0.90 0.70 9 4 0 1.20 0.70 -10 -4 0 52.49 2.70 -10 -4 0 51.39 2.70 -10 4 0 53.09 2.20 -10 4 0 50.19 2.10 10 4 0 56.29 2.20 10 4 0 52.39 2.20 -11 -4 0 22.90 2.40 -11 -4 0 19.50 2.40 -11 4 0 21.70 1.90 -11 4 0 22.00 1.80 11 4 0 22.40 1.80 11 4 0 18.90 1.70 -12 -4 0 3.00 1.40 -12 -4 0 1.50 1.30 -12 4 0 3.30 1.00 12 4 0 3.40 1.00 12 4 0 2.30 0.90 -12 4 0 1.70 1.00 -13 -4 0 13.80 1.90 -13 -4 0 14.20 1.90 -13 4 0 12.30 1.40 13 4 0 13.20 1.60 -13 4 0 12.80 1.40 13 4 0 14.30 1.70 -14 -4 0 0.30 1.60 -14 -4 0 2.70 1.70 14 4 0 -0.10 0.70 -14 4 0 1.50 1.20 -14 4 0 -1.90 1.20 14 4 0 0.50 0.80 14 4 0 0.40 0.80 -15 -4 0 1.40 1.90 -15 -4 0 3.20 1.90 -15 4 0 4.70 1.60 -15 4 0 4.30 1.50 -16 -4 0 0.40 2.30 -16 -4 0 1.30 2.10 -16 4 0 -1.70 1.80 -16 4 0 -0.50 1.60 0 -5 0 -0.60 0.30 0 -5 0 0.60 0.40 0 5 0 0.10 0.40 0 5 0 -0.40 0.40 1 -5 0 43.70 1.40 -1 -5 0 42.80 1.40 1 -5 0 44.70 1.30 -1 -5 0 42.00 1.50 1 5 0 41.50 1.50 1 5 0 41.60 1.40 -1 5 0 42.90 1.40 -1 5 0 40.20 1.30 -2 -5 0 26.90 1.20 -2 -5 0 24.90 1.20 2 -5 0 25.40 1.00 2 -5 0 26.00 1.00 -2 5 0 25.90 1.10 2 5 0 26.90 1.20 2 5 0 26.60 1.20 -2 5 0 25.80 1.00 3 -5 0 297.77 6.10 -3 -5 0 302.17 6.50 -3 -5 0 298.97 6.50 3 -5 0 292.27 6.10 3 5 0 306.77 6.40 -3 5 0 296.07 6.20 -3 5 0 301.87 6.30 3 5 0 298.77 6.50 -4 -5 0 432.86 9.00 4 -5 0 415.96 8.50 4 -5 0 427.76 8.60 -4 -5 0 440.16 9.10 4 5 0 431.36 9.00 -4 5 0 427.06 8.70 -4 5 0 417.96 8.70 4 5 0 437.86 9.00 -5 -5 0 3.00 0.80 -5 -5 0 4.10 0.80 5 -5 0 4.30 0.60 5 -5 0 3.90 0.50 -5 5 0 3.20 0.50 -5 5 0 4.30 0.60 5 5 0 3.80 0.70 5 5 0 3.00 0.70 -6 -5 0 5.40 0.80 6 -5 0 3.90 0.30 6 -5 0 3.90 0.40 -6 -5 0 3.30 0.80 6 5 0 4.80 0.80 -6 5 0 4.50 0.60 -6 5 0 4.40 0.60 6 5 0 3.70 0.70 -7 -5 0 87.79 2.90 -7 -5 0 88.49 2.90 -7 5 0 91.69 2.50 7 5 0 86.49 2.70 -7 5 0 86.89 2.40 7 5 0 88.49 2.70 -8 -5 0 -1.90 0.80 -8 -5 0 0.30 0.80 -8 5 0 -0.40 0.60 -8 5 0 -0.40 0.60 8 5 0 -0.60 0.70 8 5 0 0.10 0.70 -9 -5 0 0.80 1.00 -9 -5 0 0.50 1.00 -9 5 0 1.20 0.70 9 5 0 2.30 0.90 9 5 0 0.40 0.80 -9 5 0 1.60 0.70 -10 -5 0 77.29 3.20 -10 -5 0 74.99 3.20 -10 5 0 73.19 2.50 10 5 0 72.99 2.70 -10 5 0 73.09 2.70 10 5 0 73.89 2.70 -11 -5 0 -0.50 1.20 -11 5 0 1.00 0.90 11 5 0 -0.30 0.90 11 5 0 -0.90 0.90 -12 -5 0 3.30 1.40 -12 -5 0 1.90 1.40 -12 5 0 4.20 1.10 12 5 0 4.30 1.00 12 5 0 3.50 1.10 -12 5 0 3.60 1.00 -13 -5 0 31.80 3.10 -13 5 0 23.40 2.30 13 5 0 24.50 2.00 13 5 0 24.70 2.10 -13 5 0 27.50 2.40 -14 -5 0 6.50 1.90 -14 -5 0 5.70 1.90 -14 5 0 1.30 1.40 14 5 0 4.30 1.00 14 5 0 3.20 1.10 -14 5 0 3.30 1.30 -15 -5 0 3.70 2.10 -15 -5 0 5.50 2.20 -15 5 0 3.20 1.60 15 5 0 3.20 1.00 -15 5 0 2.60 1.60 15 5 0 4.00 0.90 -16 -5 0 4.20 2.30 -16 -5 0 -5.00 2.30 -16 5 0 -1.90 1.60 -16 5 0 1.50 1.80 0 -6 0 188.68 4.40 0 -6 0 191.18 4.30 0 6 0 193.18 4.40 0 6 0 191.28 4.30 -1 -6 0 60.19 1.90 1 -6 0 58.39 1.80 1 -6 0 58.29 1.70 -1 -6 0 59.59 1.90 1 6 0 56.59 1.90 1 6 0 57.39 1.80 -1 6 0 57.19 1.70 -1 6 0 56.39 1.90 2 -6 0 4.10 0.50 -2 -6 0 4.80 0.70 -2 -6 0 3.60 0.60 2 -6 0 4.80 0.60 -2 6 0 4.90 0.60 2 6 0 4.10 0.70 -2 6 0 3.50 0.50 2 6 0 4.40 0.70 -3 -6 0 0.00 0.60 -3 -6 0 -0.90 0.60 3 -6 0 -0.10 0.40 3 -6 0 -0.70 0.40 -3 6 0 -0.10 0.40 3 6 0 0.30 0.60 3 6 0 0.00 0.60 -4 -6 0 226.58 5.20 -4 -6 0 219.98 5.30 4 -6 0 216.88 4.70 4 -6 0 218.08 4.70 4 6 0 222.48 5.10 4 6 0 218.28 5.20 -4 6 0 224.88 4.80 -4 6 0 225.18 4.90 -5 -6 0 35.10 1.80 -5 -6 0 34.30 1.80 5 -6 0 36.80 1.10 5 -6 0 36.30 1.20 5 6 0 37.20 1.70 -5 6 0 37.60 1.50 5 6 0 36.40 1.70 -5 6 0 37.50 1.40 -6 -6 0 60.59 2.30 6 -6 0 57.39 1.50 -6 -6 0 61.69 2.40 6 -6 0 59.69 1.50 -6 6 0 63.59 2.00 6 6 0 64.49 2.30 -6 6 0 61.99 1.90 6 6 0 60.09 2.20 -7 -6 0 112.69 3.50 -7 -6 0 108.69 3.40 7 6 0 112.09 3.20 -7 6 0 110.59 2.90 7 6 0 108.69 3.20 -7 6 0 107.09 2.90 -8 -6 0 0.80 0.90 -8 -6 0 1.10 1.00 8 6 0 1.00 0.80 8 6 0 1.80 0.80 -8 6 0 1.60 0.70 -8 6 0 1.20 0.60 -9 -6 0 6.60 1.30 -9 -6 0 5.90 1.20 9 6 0 5.80 1.00 9 6 0 6.60 1.10 -9 6 0 6.40 0.90 -9 6 0 5.80 0.90 -10 -6 0 70.69 3.40 -10 -6 0 75.19 3.40 -10 6 0 67.09 2.70 10 6 0 69.59 2.80 -10 6 0 74.19 2.60 10 6 0 74.69 2.80 -11 -6 0 1.40 1.40 -11 -6 0 -0.90 1.30 11 6 0 1.20 1.10 11 6 0 2.40 1.10 -11 6 0 3.10 1.00 -11 6 0 4.00 1.00 -12 -6 0 6.90 1.70 -12 -6 0 3.60 1.60 -12 6 0 5.20 1.20 12 6 0 3.60 1.10 12 6 0 8.20 1.20 -12 6 0 4.80 1.10 -13 -6 0 5.80 1.70 -13 -6 0 7.90 1.90 -13 6 0 6.70 1.30 13 6 0 5.10 1.30 13 6 0 5.60 1.20 -13 6 0 7.30 2.20 -14 -6 0 3.50 1.90 -14 -6 0 1.20 2.00 -14 6 0 0.80 1.20 14 6 0 1.00 1.20 14 6 0 1.50 1.10 -14 6 0 2.90 1.50 -15 -6 0 -3.90 2.00 -15 -6 0 1.20 2.30 -15 6 0 0.40 2.20 15 6 0 0.10 1.10 15 6 0 0.40 1.00 -15 6 0 -1.60 1.60 0 -7 0 -0.20 0.50 0 -7 0 -0.40 0.50 0 7 0 -0.60 0.50 0 7 0 -0.40 0.50 -1 -7 0 2.20 0.60 1 -7 0 3.70 0.60 1 -7 0 3.70 0.60 -1 -7 0 2.50 0.70 -1 7 0 2.70 0.60 1 7 0 2.30 0.60 1 7 0 3.00 0.70 -1 7 0 3.40 0.70 -2 -7 0 254.97 5.80 2 -7 0 248.28 5.50 -2 -7 0 253.97 5.70 2 -7 0 253.07 5.50 2 7 0 243.78 5.70 -2 7 0 248.28 5.50 -2 7 0 252.97 5.70 2 7 0 253.57 5.70 3 -7 0 222.88 4.90 3 -7 0 221.18 4.90 -3 -7 0 217.78 5.30 -3 -7 0 228.68 5.30 3 7 0 226.38 5.20 -3 7 0 222.18 5.00 3 7 0 222.68 5.30 -3 7 0 218.98 5.10 -4 -7 0 152.58 4.00 4 -7 0 155.48 3.50 -4 -7 0 147.89 4.10 4 -7 0 150.08 3.40 -4 7 0 153.08 3.60 4 7 0 153.28 3.90 4 7 0 144.29 3.90 -5 -7 0 -1.40 0.70 5 -7 0 0.40 0.40 5 -7 0 0.70 0.40 -5 -7 0 -0.80 0.80 -5 7 0 0.30 0.50 5 7 0 -0.30 0.70 5 7 0 -0.20 0.70 -5 7 0 0.30 0.50 -6 -7 0 -1.00 0.80 6 -7 0 0.20 0.30 6 -7 0 0.10 0.40 -6 -7 0 0.40 0.80 6 7 0 -0.20 0.70 -6 7 0 -0.30 0.50 -6 7 0 -0.50 0.60 6 7 0 -0.40 0.80 -7 -7 0 31.80 2.10 -7 -7 0 28.20 2.10 -7 7 0 34.10 1.70 7 7 0 30.90 1.90 -7 7 0 31.30 1.50 7 7 0 32.90 2.00 -8 -7 0 9.90 1.40 -8 -7 0 11.70 1.40 -8 7 0 12.60 1.30 8 7 0 9.50 1.20 8 7 0 10.90 1.30 -8 7 0 12.90 1.40 -9 -7 0 84.09 3.50 -9 -7 0 80.99 3.40 -9 7 0 81.79 2.80 9 7 0 83.99 3.00 -9 7 0 80.29 2.70 9 7 0 88.19 3.10 -10 -7 0 40.40 2.90 -10 -7 0 36.70 2.80 10 7 0 37.30 2.40 -10 7 0 36.40 2.20 10 7 0 39.30 2.40 -10 7 0 37.80 2.10 -11 -7 0 0.60 1.30 -11 -7 0 -1.00 1.40 -11 7 0 -0.10 1.00 11 7 0 1.40 1.10 11 7 0 1.80 1.10 -11 7 0 2.60 1.00 -12 -7 0 2.40 1.60 -12 -7 0 1.90 1.70 12 7 0 6.80 1.30 12 7 0 3.10 1.20 -12 7 0 5.00 1.20 -12 7 0 6.00 1.20 -13 -7 0 11.10 2.10 -13 -7 0 14.20 2.10 13 7 0 18.10 2.40 13 7 0 17.20 2.30 -13 7 0 12.80 2.10 -13 7 0 14.20 1.60 -14 -7 0 5.40 2.20 -14 -7 0 7.40 2.10 14 7 0 4.40 1.30 -14 7 0 7.60 1.50 -14 7 0 2.50 1.60 14 7 0 4.10 1.50 -15 -7 0 2.10 2.30 -15 -7 0 1.90 2.50 15 7 0 4.80 1.30 15 7 0 1.70 1.40 -15 7 0 1.20 1.70 0 -8 0 60.39 2.20 0 -8 0 59.49 2.10 0 8 0 62.89 2.30 0 8 0 59.39 2.10 1 -8 0 107.99 2.90 1 -8 0 106.49 2.90 -1 -8 0 104.79 3.10 -1 -8 0 108.39 3.00 1 8 0 103.29 3.00 -1 8 0 104.39 2.90 -1 8 0 107.99 3.10 1 8 0 104.79 3.10 2 -8 0 6.60 0.80 -2 -8 0 7.30 0.90 2 -8 0 6.60 0.80 -2 -8 0 5.70 0.90 -2 8 0 8.60 1.10 2 8 0 6.80 0.90 -2 8 0 8.00 0.90 2 8 0 7.80 1.00 -3 -8 0 3.00 0.80 -3 -8 0 2.00 0.80 3 -8 0 3.30 0.60 3 -8 0 3.00 0.60 3 8 0 3.50 0.80 -3 8 0 2.60 0.80 -3 8 0 4.60 0.70 3 8 0 2.70 0.90 4 -8 0 137.99 3.30 4 -8 0 135.39 3.20 -4 -8 0 134.59 3.80 -4 -8 0 133.99 3.90 4 8 0 132.59 3.80 -4 8 0 131.49 3.60 -4 8 0 138.39 3.40 4 8 0 132.19 3.70 5 -8 0 69.29 2.00 5 -8 0 69.49 1.90 -5 -8 0 69.79 2.70 -5 -8 0 72.29 2.70 -5 8 0 66.69 2.20 5 8 0 68.79 2.60 5 8 0 68.19 2.60 6 -8 0 2.10 0.50 -6 -8 0 0.70 0.90 -6 -8 0 1.60 1.00 6 -8 0 2.20 0.50 6 8 0 2.70 1.00 -6 8 0 1.60 0.70 6 8 0 1.70 0.90 -6 8 0 2.00 0.70 -7 -8 0 110.79 3.60 -7 -8 0 100.69 3.60 7 -8 0 100.49 2.30 7 8 0 105.69 3.40 7 8 0 106.39 3.40 -7 8 0 104.99 3.00 -7 8 0 102.49 3.10 -8 -8 0 0.10 1.10 -8 -8 0 0.40 1.20 8 8 0 0.30 1.00 -8 8 0 -0.40 0.70 8 8 0 1.30 1.00 -8 8 0 -0.70 0.80 -9 -8 0 22.40 2.60 -9 -8 0 22.80 2.50 -9 8 0 18.90 1.70 -9 8 0 22.30 1.90 9 8 0 21.50 2.20 9 8 0 20.90 2.20 -10 -8 0 29.20 2.80 -10 -8 0 30.10 2.90 10 8 0 24.20 2.40 10 8 0 24.50 2.40 -10 8 0 26.80 2.20 -10 8 0 26.50 2.00 -11 -8 0 63.49 3.60 -11 8 0 54.59 2.80 11 8 0 53.99 2.90 -11 8 0 55.99 2.60 11 8 0 61.59 3.00 -12 -8 0 -0.10 1.70 -12 -8 0 -0.70 1.60 -12 8 0 0.00 1.10 12 8 0 1.80 1.20 12 8 0 0.30 1.30 -12 8 0 1.00 1.20 -13 -8 0 18.00 2.60 -13 -8 0 14.70 2.20 13 8 0 20.70 2.40 -13 8 0 11.00 1.70 -13 8 0 14.10 1.60 13 8 0 13.60 1.60 -14 -8 0 -1.00 2.20 -14 -8 0 1.70 2.00 14 8 0 1.70 1.40 -14 8 0 1.80 1.40 14 8 0 0.30 1.50 -14 8 0 -1.20 1.50 -15 -8 0 -1.40 2.20 -15 -8 0 -1.10 2.50 15 8 0 0.30 1.70 15 8 0 2.90 1.40 -15 8 0 0.40 1.90 -15 8 0 -1.40 1.50 0 -9 0 -0.10 0.60 0 -9 0 0.00 0.70 0 9 0 -0.20 0.70 0 9 0 0.40 0.80 1 -9 0 5.70 0.80 -1 -9 0 7.20 1.00 1 -9 0 7.00 0.90 -1 -9 0 7.00 1.00 -1 9 0 7.20 0.90 1 9 0 8.30 1.10 -1 9 0 6.90 0.90 1 9 0 6.90 0.90 -2 -9 0 11.40 1.50 2 -9 0 9.60 1.20 -2 -9 0 9.30 1.00 2 -9 0 12.70 1.30 2 9 0 12.60 1.40 -2 9 0 13.60 1.50 2 9 0 13.30 1.60 -2 9 0 11.70 1.30 -3 -9 0 296.57 6.90 -3 -9 0 302.57 7.10 3 -9 0 300.67 6.50 3 -9 0 295.07 6.50 -3 9 0 295.87 6.80 3 9 0 294.77 6.80 -3 9 0 299.17 6.60 3 9 0 295.37 7.00 4 -9 0 75.89 2.20 -4 -9 0 72.89 2.80 4 -9 0 74.69 2.30 -4 -9 0 79.19 3.00 4 9 0 77.59 2.80 -4 9 0 73.89 2.70 -4 9 0 78.09 2.50 4 9 0 78.79 2.90 -5 -9 0 20.30 1.90 5 -9 0 17.00 1.10 -5 -9 0 18.20 1.90 5 -9 0 15.90 1.20 -5 9 0 15.30 1.60 5 9 0 17.60 1.80 5 9 0 18.80 1.80 -5 9 0 16.70 1.40 -6 -9 0 1.40 1.00 6 -9 0 2.00 0.60 6 -9 0 1.10 0.50 -6 -9 0 1.60 1.10 6 9 0 0.80 0.90 -6 9 0 0.70 0.70 6 9 0 0.50 0.90 -7 -9 0 59.59 2.90 7 -9 0 45.40 1.50 -7 -9 0 51.99 2.80 7 -9 0 51.89 1.50 -7 9 0 50.59 2.30 -7 9 0 51.49 2.10 7 9 0 55.79 2.70 7 9 0 53.59 2.60 -8 -9 0 16.00 2.00 -8 -9 0 17.90 2.30 -8 9 0 16.40 1.80 8 9 0 21.10 2.20 -8 9 0 17.60 1.70 8 9 0 15.70 2.10 -9 -9 0 24.70 2.70 -9 -9 0 31.00 2.90 9 9 0 25.10 2.40 9 9 0 27.70 2.40 -9 9 0 25.60 1.90 -9 9 0 23.00 2.10 -10 -9 0 4.70 1.60 -10 -9 0 6.60 1.80 10 9 0 4.80 1.30 10 9 0 5.80 1.40 -10 9 0 6.20 1.30 -10 9 0 5.80 1.10 -11 -9 0 4.50 1.70 -11 -9 0 6.80 1.80 -11 9 0 3.00 1.20 -11 9 0 3.70 1.10 11 9 0 5.90 1.40 -12 -9 0 2.10 1.90 -12 -9 0 -1.20 1.80 -12 9 0 0.70 1.20 12 9 0 0.60 1.40 -12 9 0 0.70 1.60 12 9 0 -1.10 1.30 -13 -9 0 19.00 2.60 -13 -9 0 18.40 2.50 13 9 0 22.10 2.80 13 9 0 16.10 2.00 -13 9 0 18.20 2.00 -13 9 0 24.20 2.60 -14 -9 0 -0.90 2.30 -14 -9 0 -1.10 2.30 14 9 0 -1.40 1.60 -14 9 0 0.50 1.40 14 9 0 -0.50 1.50 -14 9 0 2.70 1.70 15 9 0 0.90 3.00 15 9 0 0.50 1.60 -15 9 0 0.60 1.60 0 -10 0 20.10 1.70 0 -10 0 23.50 1.70 0 10 0 23.70 1.90 0 10 0 22.30 1.70 1 -10 0 12.20 1.50 -1 -10 0 11.20 1.30 -1 -10 0 10.50 1.10 1 -10 0 11.10 1.10 1 10 0 11.00 1.20 -1 10 0 14.00 1.60 1 10 0 9.40 1.20 -1 10 0 13.10 1.50 2 -10 0 1.20 0.70 -2 -10 0 0.90 0.90 2 -10 0 1.10 0.80 -2 -10 0 0.60 0.90 -2 10 0 1.60 1.00 2 10 0 0.90 0.90 2 10 0 -0.10 0.80 -2 10 0 1.20 0.70 -3 -10 0 0.90 0.90 3 -10 0 1.80 0.80 3 -10 0 1.30 0.70 -3 -10 0 0.70 0.90 -3 10 0 1.10 0.80 3 10 0 0.00 0.80 -3 10 0 0.80 0.90 3 10 0 1.20 1.00 -4 -10 0 0.70 1.00 -4 -10 0 1.10 1.00 4 -10 0 2.80 0.70 4 -10 0 2.30 0.70 4 10 0 1.10 1.00 -4 10 0 2.30 1.00 4 10 0 2.70 1.00 -4 10 0 1.90 0.80 -5 -10 0 145.59 4.30 5 -10 0 137.49 3.50 5 -10 0 135.19 3.50 -5 -10 0 138.29 4.40 -5 10 0 142.49 3.80 5 10 0 143.79 4.30 -5 10 0 142.89 4.10 5 10 0 143.09 4.20 6 -10 0 10.80 1.00 -6 -10 0 9.20 1.40 -6 -10 0 9.40 1.50 6 -10 0 8.70 1.20 -6 10 0 8.70 1.20 6 10 0 7.60 1.30 6 10 0 11.20 1.40 -6 10 0 10.80 1.10 7 -10 0 19.80 1.10 -7 -10 0 20.00 2.40 -7 -10 0 20.10 2.40 7 -10 0 20.40 1.00 7 10 0 19.40 2.30 -7 10 0 21.50 1.70 7 10 0 20.90 2.20 -8 -10 0 0.40 1.40 -8 -10 0 1.10 1.30 -8 10 0 2.40 1.10 -8 10 0 0.60 0.90 8 10 0 0.80 1.20 8 10 0 1.50 1.40 -9 -10 0 1.10 1.40 -9 -10 0 3.10 1.50 9 10 0 1.90 1.40 9 10 0 3.30 1.40 -9 10 0 1.90 1.20 -9 10 0 2.90 1.00 -10 -10 0 4.50 1.80 -10 -10 0 5.30 1.80 10 10 0 2.40 1.40 -10 10 0 4.30 1.40 -10 10 0 4.20 1.10 10 10 0 5.00 1.50 -11 -10 0 66.19 4.20 -11 -10 0 71.59 4.10 11 10 0 65.99 3.40 11 10 0 66.69 3.50 -11 10 0 65.29 3.00 -12 -10 0 -0.60 1.90 -12 -10 0 0.50 1.90 12 10 0 -0.90 1.50 12 10 0 1.00 1.40 -12 10 0 4.40 1.40 -12 10 0 2.10 1.60 -13 -10 0 17.60 2.90 -13 -10 0 17.10 2.60 13 10 0 15.60 2.10 -13 10 0 23.60 2.80 -13 10 0 16.90 2.10 13 10 0 15.10 1.90 -14 -10 0 0.40 2.70 -14 -10 0 0.60 2.60 -14 10 0 -1.30 1.80 14 10 0 -2.50 1.70 -14 10 0 -2.10 1.90 14 10 0 0.40 1.80 0 -11 0 -0.50 0.80 0 -11 0 -1.20 0.80 0 11 0 -0.60 1.00 0 11 0 -1.30 0.80 -1 -11 0 0.40 0.90 1 -11 0 3.40 1.00 1 -11 0 1.30 0.90 -1 -11 0 0.70 1.00 -1 11 0 1.90 0.90 1 11 0 0.30 1.00 1 11 0 0.20 0.90 -1 11 0 1.20 1.10 -2 -11 0 10.30 1.30 2 -11 0 7.60 1.00 2 -11 0 8.50 1.10 -2 -11 0 7.00 1.30 -2 11 0 7.00 1.20 2 11 0 7.40 1.30 -2 11 0 6.10 1.00 2 11 0 8.70 1.30 -3 -11 0 60.49 2.90 -3 -11 0 62.29 2.80 3 -11 0 61.19 2.40 3 -11 0 62.39 2.40 3 11 0 65.29 2.90 -3 11 0 60.59 2.50 -3 11 0 65.09 2.80 3 11 0 57.69 2.70 -4 -11 0 4.40 1.20 -4 -11 0 4.90 1.30 4 -11 0 5.30 0.90 4 -11 0 5.90 0.90 -4 11 0 5.50 1.20 4 11 0 5.80 1.30 4 11 0 3.80 1.10 -4 11 0 5.60 1.10 -5 -11 0 4.80 1.30 -5 -11 0 2.80 1.20 5 -11 0 3.50 0.80 5 -11 0 4.00 0.80 5 11 0 3.00 1.20 -5 11 0 3.00 0.90 -5 11 0 3.30 1.10 5 11 0 3.60 1.10 6 -11 0 2.80 0.70 -6 -11 0 2.60 1.30 -6 -11 0 3.90 1.30 6 -11 0 2.00 0.60 -6 11 0 4.30 1.20 6 11 0 1.90 1.20 6 11 0 2.90 1.50 -6 11 0 3.30 0.90 -7 -11 0 6.70 1.30 7 -11 0 7.10 0.80 -7 -11 0 4.40 1.40 7 -11 0 6.10 0.60 7 11 0 5.90 1.40 -7 11 0 5.30 1.20 7 11 0 7.00 1.50 -7 11 0 5.40 1.00 -8 -11 0 16.70 2.10 -8 -11 0 18.50 2.10 8 11 0 17.10 2.30 -8 11 0 17.50 1.90 8 11 0 15.90 1.80 -9 -11 0 7.40 1.80 -9 -11 0 7.10 1.80 9 11 0 9.00 1.60 9 11 0 8.50 1.50 -9 11 0 8.60 1.30 -10 -11 0 13.30 2.10 -10 -11 0 13.90 2.30 -10 11 0 17.20 2.20 10 11 0 16.40 1.90 10 11 0 11.40 1.80 -11 -11 0 9.20 2.10 -11 -11 0 11.30 2.10 11 11 0 12.10 2.70 -11 11 0 11.30 1.80 -11 11 0 10.80 1.50 -12 -11 0 -4.50 2.10 -12 -11 0 -0.40 2.10 12 11 0 -0.20 2.30 -12 11 0 0.00 1.60 12 11 0 -1.80 1.60 -12 11 0 2.40 1.30 -13 -11 0 2.40 2.50 -13 -11 0 -1.00 2.40 -13 11 0 0.00 2.30 -13 11 0 2.80 1.80 13 11 0 0.10 1.60 -14 -11 0 -1.90 2.80 -14 11 0 0.60 1.60 14 11 0 -1.50 1.80 -14 11 0 5.10 2.20 0 -12 0 25.10 2.10 0 -12 0 24.30 2.10 0 12 0 22.00 2.00 0 12 0 26.40 2.40 1 -12 0 -0.90 0.90 -1 -12 0 -0.60 1.00 1 12 0 -2.70 1.10 -1 12 0 -1.80 1.10 1 12 0 -2.70 1.00 -1 12 0 0.00 1.00 2 -12 0 -1.40 0.90 2 -12 0 0.90 0.90 -2 -12 0 -1.50 1.10 -2 -12 0 -1.70 1.10 -2 12 0 -1.10 0.90 2 12 0 -2.60 1.20 -2 12 0 -1.30 1.00 -3 -12 0 1.80 1.20 -3 -12 0 2.70 1.20 3 -12 0 3.60 1.00 3 -12 0 2.80 1.00 -3 12 0 4.10 1.30 3 12 0 2.10 1.30 3 12 0 2.70 1.20 -3 12 0 3.50 1.10 -4 -12 0 6.90 2.50 -4 -12 0 7.50 1.50 4 -12 0 6.80 1.00 4 -12 0 7.30 1.10 -4 12 0 7.10 1.30 4 12 0 7.10 1.30 -4 12 0 5.60 1.10 5 -12 0 66.99 2.30 -5 -12 0 58.19 3.20 5 -12 0 60.79 2.40 -5 -12 0 72.09 3.40 -5 12 0 65.29 2.70 5 12 0 66.69 3.20 5 12 0 62.69 3.00 -5 12 0 64.59 3.00 6 -12 0 0.30 0.70 -6 -12 0 1.20 1.30 6 -12 0 0.70 0.70 6 12 0 -1.10 1.20 -6 12 0 0.70 1.10 6 12 0 1.90 1.40 -6 12 0 0.00 1.00 7 -12 0 3.40 0.60 -7 -12 0 7.10 1.90 7 -12 0 4.50 0.80 7 12 0 6.20 1.50 -7 12 0 3.80 1.10 7 12 0 3.00 1.40 -7 12 0 3.90 1.30 -8 -12 0 1.30 1.50 -8 12 0 3.20 1.70 8 12 0 2.30 1.40 -8 12 0 0.90 1.10 8 12 0 1.50 1.40 -9 -12 0 0.40 1.70 -9 -12 0 2.50 1.70 -9 12 0 1.30 1.30 9 12 0 0.70 1.30 -9 12 0 1.00 1.10 -10 -12 0 0.50 2.00 10 12 0 -1.90 1.50 -10 12 0 -0.30 1.10 -11 -12 0 11.70 2.60 -11 -12 0 8.70 2.20 11 12 0 11.00 2.00 -11 12 0 9.10 1.50 -12 -12 0 -1.20 2.30 -12 -12 0 0.70 2.50 -12 12 0 0.70 1.60 -12 12 0 -0.90 1.70 12 12 0 -2.00 1.70 12 12 0 -1.60 2.00 -13 -12 0 2.00 2.50 -13 12 0 -0.50 1.60 -13 12 0 1.10 2.00 13 12 0 0.80 2.10 13 12 0 0.70 1.80 0 -13 0 -1.70 1.10 0 13 0 -1.80 1.10 0 13 0 -2.70 1.70 1 -13 0 3.40 1.20 -1 -13 0 2.90 1.30 -1 -13 0 1.80 1.30 -1 13 0 4.70 1.60 -1 13 0 3.80 1.20 2 -13 0 -0.20 1.00 2 -13 0 -0.10 1.00 -2 -13 0 -2.70 1.30 -2 -13 0 -2.80 1.20 -2 13 0 -0.30 1.10 2 13 0 -3.20 1.30 -2 13 0 -0.50 1.30 -3 -13 0 75.19 3.60 -3 -13 0 76.19 3.50 3 -13 0 81.39 3.00 3 -13 0 82.29 3.00 3 13 0 76.99 3.40 3 13 0 66.79 3.50 -3 13 0 80.69 3.20 -3 13 0 81.39 3.50 -4 -13 0 14.20 1.80 -4 -13 0 18.70 2.50 4 -13 0 18.20 1.80 4 -13 0 15.90 1.90 4 13 0 15.80 1.80 -4 13 0 13.10 1.50 -4 13 0 15.30 1.80 4 13 0 13.60 1.80 5 -13 0 9.10 1.10 -5 -13 0 6.50 2.10 -5 -13 0 12.70 1.90 5 -13 0 8.90 1.00 5 13 0 9.40 1.50 -5 13 0 7.90 1.30 -5 13 0 7.10 1.70 5 13 0 8.30 1.60 6 -13 0 0.70 0.70 6 -13 0 1.30 0.90 -6 13 0 1.00 1.10 6 13 0 1.00 1.30 6 13 0 0.70 1.30 -7 -13 0 2.00 1.70 7 -13 0 3.80 0.70 7 -13 0 2.80 0.80 -7 13 0 3.80 1.40 7 13 0 4.20 2.80 7 13 0 -0.90 1.20 -7 13 0 3.40 1.20 -8 -13 0 9.50 2.00 -8 13 0 8.30 1.40 8 13 0 9.30 1.80 -8 13 0 12.30 1.70 -9 -13 0 7.80 2.10 -9 -13 0 9.50 2.30 -9 13 0 8.80 1.40 -9 13 0 8.30 1.70 9 13 0 8.00 1.90 -10 -13 0 6.50 2.20 -10 -13 0 3.60 2.20 10 13 0 2.60 2.00 -10 13 0 5.30 1.80 -10 13 0 5.50 1.40 10 13 0 3.60 1.70 -11 -13 0 4.80 2.60 -11 -13 0 0.10 2.20 11 13 0 0.00 1.80 -11 13 0 0.10 1.80 -11 13 0 2.50 2.20 11 13 0 2.50 2.10 -12 -13 0 1.10 2.80 -12 -13 0 -4.10 2.40 12 13 0 -0.90 2.10 -12 13 0 -1.50 1.50 12 13 0 -1.30 1.80 0 -14 0 4.00 1.40 0 -14 0 3.20 1.30 0 14 0 5.90 1.40 0 14 0 4.00 1.60 1 -14 0 61.79 3.10 -1 -14 0 58.79 3.30 1 14 0 55.49 3.60 -1 14 0 62.59 3.10 1 14 0 57.19 3.10 -1 14 0 62.49 3.50 -2 -14 0 9.80 1.70 2 -14 0 9.20 1.40 -2 -14 0 8.30 1.70 2 -14 0 9.00 1.40 2 14 0 5.10 1.50 -2 14 0 11.50 1.90 -2 14 0 12.00 1.60 -3 -14 0 6.20 1.60 3 -14 0 7.80 1.30 3 -14 0 5.10 1.20 -3 -14 0 4.00 1.60 -3 14 0 4.90 1.40 -3 14 0 5.50 1.30 3 14 0 5.40 1.50 4 -14 0 3.60 1.20 -4 -14 0 2.40 1.40 4 -14 0 2.30 1.00 -4 -14 0 2.90 1.50 -4 14 0 4.00 1.30 4 14 0 2.20 1.50 -4 14 0 4.00 1.50 5 -14 0 9.70 1.20 5 -14 0 9.90 1.20 -5 -14 0 9.90 2.20 5 14 0 7.60 2.00 -5 14 0 10.10 1.40 -5 14 0 10.90 1.80 -6 -14 0 1.80 1.60 6 -14 0 1.20 0.80 6 -14 0 0.70 1.00 -6 14 0 -0.70 1.10 6 14 0 2.00 1.40 -6 14 0 0.60 1.40 7 -14 0 16.60 1.60 7 -14 0 15.30 1.40 -7 -14 0 16.80 2.30 -7 14 0 13.70 1.90 7 14 0 15.80 2.00 -7 14 0 17.50 2.30 -8 -14 0 1.40 2.40 -8 -14 0 -0.50 1.90 -8 14 0 1.60 1.20 8 14 0 -0.30 1.60 8 14 0 2.10 1.60 -8 14 0 1.20 1.50 -9 -14 0 1.40 2.20 -9 -14 0 1.10 2.00 9 14 0 -1.70 1.90 -9 14 0 2.90 1.30 9 14 0 3.10 1.70 -9 14 0 2.60 1.70 -10 -14 0 4.10 2.40 -10 -14 0 4.10 2.40 -10 14 0 2.60 1.90 -10 14 0 5.50 2.70 10 14 0 4.60 2.00 10 14 0 1.70 2.10 -11 -14 0 2.20 2.70 -11 -14 0 7.30 2.70 -11 14 0 5.50 2.10 11 14 0 4.00 2.20 11 14 0 3.20 2.00 -11 14 0 3.90 1.60 -12 -14 0 2.80 2.90 12 14 0 -0.90 2.40 -12 14 0 5.50 2.40 -12 14 0 0.70 1.70 12 14 0 4.10 2.20 -1 -15 0 65.49 3.60 1 -15 0 57.09 4.20 -1 -15 0 62.19 3.60 -1 15 0 63.99 3.40 1 15 0 64.79 5.50 -1 15 0 63.59 3.90 -2 -15 0 15.20 1.80 2 -15 0 21.00 2.40 -2 -15 0 22.40 3.00 2 -15 0 21.40 2.60 -2 15 0 28.30 2.60 2 15 0 23.80 3.00 -2 15 0 27.70 3.20 3 -15 0 -1.50 1.20 -3 -15 0 0.40 1.20 3 -15 0 -1.50 1.10 3 15 0 -1.90 1.30 -3 15 0 1.20 1.30 -3 15 0 -0.60 1.60 4 -15 0 11.70 1.50 4 -15 0 9.50 1.30 -4 -15 0 10.70 2.00 -4 15 0 10.00 2.00 -4 15 0 12.10 1.70 4 15 0 12.70 1.80 -5 -15 0 -2.00 1.90 -5 -15 0 2.90 1.70 5 -15 0 -0.90 1.10 5 -15 0 0.00 1.00 -5 15 0 -0.80 1.30 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1.20 1.20 -7 10 3 0.60 0.80 -7 10 3 0.50 0.80 7 10 -3 1.70 1.20 7 10 -3 -0.90 0.90 -6 -10 3 64.49 3.10 -6 -10 3 69.89 3.10 6 10 -3 66.49 2.80 6 10 -3 69.69 3.00 -6 10 3 65.69 2.40 -6 10 3 66.09 2.50 5 -10 -3 -0.30 0.40 -5 -10 3 0.40 1.00 -5 -10 3 0.50 1.00 5 -10 -3 -0.40 0.30 -5 10 3 -1.10 0.70 5 10 -3 -1.20 1.00 5 10 -3 0.20 0.90 -5 10 3 -1.50 0.80 -4 -10 3 57.19 2.70 4 -10 -3 53.09 1.70 4 -10 -3 56.49 1.80 -4 -10 3 56.89 2.60 -4 10 3 55.59 2.20 4 10 -3 55.39 2.40 -4 10 3 55.69 2.40 4 10 -3 54.39 2.70 3 -10 -3 16.50 1.30 3 -10 -3 18.00 1.30 -3 -10 3 19.00 2.00 -3 -10 3 16.80 1.80 -3 10 3 18.00 1.50 3 10 -3 19.30 2.00 3 10 -3 19.80 1.80 -3 10 3 19.50 1.70 -2 -10 3 -1.70 0.80 2 -10 -3 -0.40 0.70 -2 -10 3 -0.60 0.90 -2 10 3 -0.30 0.70 2 10 -3 -0.30 0.90 2 10 -3 -0.30 0.80 -2 10 3 -0.30 0.80 -1 -10 3 7.50 1.10 1 -10 -3 6.50 1.00 1 -10 -3 6.20 0.90 -1 -10 3 6.50 1.10 1 10 -3 4.40 1.00 -1 10 3 7.00 1.10 1 10 -3 4.90 1.10 -1 10 3 7.90 1.00 0 -10 -3 4.80 1.00 0 -10 3 1.70 0.90 0 -10 3 2.60 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6.20 1.10 2 11 3 4.10 1.20 -2 11 -3 2.90 1.00 -2 11 -3 4.60 1.20 2 11 3 3.90 1.00 3 -11 3 12.70 1.70 -3 -11 -3 11.00 1.40 -3 -11 -3 9.30 1.40 3 -11 3 15.30 1.80 -3 11 -3 10.40 1.20 3 11 3 14.80 1.90 -3 11 -3 12.90 1.60 3 11 3 16.10 2.10 4 -11 3 130.39 3.80 -4 -11 -3 128.09 4.20 -4 -11 -3 135.59 4.40 4 -11 3 126.59 3.70 -4 11 -3 128.89 3.80 -4 11 -3 129.29 4.20 4 11 3 127.09 4.10 4 11 3 130.29 4.20 -5 -11 -3 31.50 2.60 5 -11 3 35.30 2.10 -5 -11 -3 30.60 3.00 5 -11 3 35.10 2.00 -5 11 -3 33.20 2.60 5 11 3 33.70 2.50 5 11 3 28.50 2.90 -5 11 -3 34.20 2.20 6 -11 3 -0.20 0.90 -6 -11 -3 -2.40 1.10 -6 -11 -3 -1.40 1.20 6 -11 3 -0.80 0.80 6 11 3 0.00 1.20 6 11 3 -1.40 1.00 -6 11 -3 -0.50 1.10 -6 11 -3 -0.30 1.00 7 -11 3 1.60 0.80 7 -11 3 -0.80 0.90 -7 -11 -3 -0.50 1.40 7 11 3 -0.70 1.10 -7 11 -3 -0.60 1.00 7 11 3 0.90 1.30 8 -11 3 4.00 1.00 -8 -11 -3 0.80 1.60 8 -11 3 2.90 0.80 8 11 3 2.40 1.40 -8 11 -3 4.50 1.40 -8 11 -3 1.70 1.10 8 11 3 2.30 1.40 -9 -11 -3 4.90 1.80 9 -11 3 7.80 1.00 9 -11 3 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1.40 1.20 -1 12 3 3.20 1.10 1 12 -3 0.60 1.30 0 -12 3 2.80 1.20 0 -12 -3 1.70 1.10 0 -12 -3 5.30 1.10 0 12 3 3.80 1.20 0 12 -3 -0.90 1.40 0 12 -3 0.70 1.10 0 12 3 4.20 1.10 -1 -12 -3 1.40 1.10 1 -12 3 2.20 1.20 -1 -12 -3 4.00 1.20 1 -12 3 2.90 1.20 1 12 3 3.40 1.40 -1 12 -3 3.20 1.20 1 12 3 3.60 1.20 -1 12 -3 1.80 1.30 2 -12 3 182.48 4.90 2 -12 3 181.48 4.90 -2 -12 -3 179.78 5.20 -2 -12 -3 180.28 5.10 -2 12 -3 183.18 5.00 -2 12 -3 180.48 5.40 2 12 3 177.78 5.10 2 12 3 179.08 5.30 3 -12 3 48.80 2.50 -3 -12 -3 51.19 3.00 3 -12 3 51.19 2.50 -3 -12 -3 44.30 2.80 3 12 3 42.20 4.60 -3 12 -3 43.50 2.90 3 12 3 45.30 2.70 -3 12 -3 50.59 2.60 -4 -12 -3 3.00 1.40 -4 -12 -3 2.30 1.40 4 -12 3 3.90 1.10 4 -12 3 2.80 1.00 -4 12 -3 5.20 1.20 4 12 3 2.90 1.30 4 12 3 3.60 1.30 -4 12 -3 2.00 1.70 5 -12 3 0.50 0.90 -5 -12 -3 1.90 1.30 -5 -12 -3 2.50 1.40 5 -12 3 0.70 1.00 -5 12 -3 0.00 1.00 5 12 3 3.00 1.30 5 12 3 0.60 1.10 -5 12 -3 2.00 2.10 -6 -12 -3 16.10 2.00 6 -12 3 18.80 1.90 6 -12 3 15.60 1.80 6 12 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1.60 -11 3 4 37.20 1.60 -10 -3 4 10.40 1.20 -10 -3 4 12.80 1.70 -10 3 4 9.00 1.00 -10 3 4 10.80 1.00 -9 -3 4 0.70 0.80 -9 -3 4 1.10 0.80 9 3 -4 2.00 0.40 -9 3 4 1.80 0.40 -9 3 4 1.30 0.50 -8 -3 4 2.00 0.70 -8 -3 4 1.20 0.70 -8 3 4 2.20 0.40 8 3 -4 1.70 0.40 -8 3 4 2.00 0.30 8 3 -4 2.00 0.40 -7 -3 4 3.00 0.70 -7 -3 4 2.90 0.60 7 3 -4 3.70 0.40 7 3 -4 3.60 0.40 -6 -3 4 70.19 2.10 -6 -3 4 71.59 2.10 6 3 -4 71.79 1.80 6 3 -4 71.59 1.80 -5 -3 4 0.00 0.40 -5 -3 4 0.00 0.40 5 3 -4 -0.30 0.40 5 3 -4 0.00 0.30 -4 -3 4 299.47 6.30 -4 -3 4 298.37 6.40 4 3 -4 303.37 6.20 4 3 -4 301.67 6.20 -3 -3 4 10.30 0.80 -3 -3 4 10.20 0.80 -3 3 4 10.80 0.30 3 3 -4 10.60 0.70 3 3 -4 9.50 0.80 -2 -3 4 3.70 0.50 -2 -3 4 4.10 0.50 -2 3 4 4.30 0.40 -2 3 4 4.10 0.50 2 3 -4 3.00 0.40 2 3 -4 3.10 0.50 -1 -3 4 27.50 1.10 1 -3 -4 28.20 0.90 -1 -3 4 28.50 1.10 1 -3 -4 28.50 0.90 1 3 -4 27.30 1.00 -1 3 4 29.60 1.00 -1 3 4 28.40 1.00 1 3 -4 27.60 1.20 0 -3 -4 453.15 9.30 0 -3 4 461.15 9.30 0 -3 -4 452.85 9.30 0 -3 4 471.45 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-5 9.80 2.80 12 -10 5 12.60 1.50 -12 10 -5 11.40 2.00 -12 10 -5 12.40 2.40 12 10 5 5.00 2.20 12 10 5 8.90 2.10 -13 -10 -5 -2.80 2.60 -13 10 -5 -3.40 1.80 13 10 5 0.10 2.00 -13 10 -5 0.80 2.40 13 10 5 -1.60 2.10 -14 -11 5 20.80 2.90 -14 -11 5 13.30 2.90 14 11 -5 9.50 1.80 14 11 -5 12.80 1.60 -14 11 5 15.00 1.60 -13 -11 5 1.20 2.30 -13 -11 5 5.70 2.40 13 11 -5 0.30 1.60 -13 11 5 2.00 1.10 13 11 -5 1.40 1.30 -12 -11 5 0.80 1.90 -12 -11 5 -2.50 2.00 -12 11 5 2.50 1.00 12 11 -5 3.20 1.30 12 11 -5 0.70 1.70 -11 -11 5 -0.40 1.90 -11 -11 5 2.40 1.90 11 11 -5 -0.40 2.10 -11 11 5 2.10 0.90 11 11 -5 1.90 1.20 -11 11 5 -0.10 1.10 -10 -11 5 2.00 1.80 -10 -11 5 1.90 1.60 10 11 -5 1.40 1.20 -10 11 5 3.40 1.00 10 11 -5 1.50 2.00 -10 11 5 3.90 1.10 -9 -11 5 1.30 1.60 9 11 -5 0.20 1.20 -9 11 5 1.00 1.00 -9 11 5 1.80 0.90 9 11 -5 1.50 1.50 -8 -11 5 124.19 4.50 -8 -11 5 124.69 4.70 8 11 -5 121.09 3.90 -8 11 5 114.99 3.70 -8 11 5 114.89 3.40 8 11 -5 118.29 4.20 -7 -11 5 4.90 1.40 -7 -11 5 2.50 1.40 7 11 -5 2.60 1.10 -7 11 5 2.20 1.00 -7 11 5 0.50 0.90 7 11 -5 3.40 1.30 -6 -11 5 1.40 1.30 -6 -11 5 -1.30 1.20 -6 11 5 -1.30 0.80 -6 11 5 -0.60 0.90 6 11 -5 0.00 1.00 6 11 -5 -1.00 1.20 -5 -11 5 2.30 1.30 -5 11 5 -0.40 0.90 -5 11 5 -1.10 0.80 5 11 -5 -1.90 1.00 5 11 -5 -0.80 1.10 -4 -11 5 31.40 2.40 -4 -11 5 35.30 2.50 4 -11 -5 29.80 1.30 4 -11 -5 29.40 1.20 -4 11 5 29.10 1.90 4 11 -5 33.00 2.20 4 11 -5 32.90 2.60 -4 11 5 32.20 2.20 3 -11 -5 4.40 0.80 -3 -11 5 4.70 1.20 -3 -11 5 5.30 1.30 3 -11 -5 3.50 0.70 -3 11 5 3.80 0.90 3 11 -5 5.10 1.40 -3 11 5 5.10 1.10 3 11 -5 2.90 1.00 -2 -11 5 104.19 3.50 2 -11 -5 97.99 3.00 2 -11 -5 100.19 3.00 -2 -11 5 100.89 3.60 2 11 -5 103.99 3.40 -2 11 5 97.49 3.20 2 11 -5 102.19 3.80 -2 11 5 102.09 3.40 -1 -11 5 1.90 1.10 1 -11 -5 1.40 0.90 1 -11 -5 0.80 0.80 -1 -11 5 -0.70 1.00 -1 11 5 1.70 0.90 1 11 -5 1.00 1.20 -1 11 5 0.00 1.00 1 11 -5 0.70 0.90 0 -11 -5 2.40 0.90 0 -11 5 -1.00 1.10 0 -11 5 1.20 1.10 0 -11 -5 1.30 1.00 0 11 -5 -0.10 1.20 0 11 5 1.30 1.00 0 11 5 1.40 1.00 0 11 -5 1.20 1.00 -1 -11 -5 6.70 1.20 1 -11 5 4.60 1.20 -1 -11 -5 4.60 1.20 1 -11 5 3.40 1.30 -1 11 -5 3.80 1.40 1 11 5 4.80 1.10 -1 11 -5 4.20 1.20 1 11 5 4.00 1.20 2 -11 5 233.58 6.00 -2 -11 -5 244.38 6.10 2 -11 5 238.18 6.00 -2 -11 -5 238.88 6.30 2 11 5 239.18 6.30 -2 11 -5 243.18 6.00 2 11 5 236.48 6.20 -2 11 -5 238.08 6.40 -3 -11 -5 9.00 1.60 -3 -11 -5 8.80 1.30 3 -11 5 11.70 1.40 3 -11 5 10.00 1.30 3 11 5 7.10 1.30 -3 11 -5 7.40 1.50 -3 11 -5 9.60 1.30 3 11 5 10.40 1.70 4 -11 5 1.90 1.10 -4 -11 -5 -0.40 1.30 4 11 5 0.10 1.20 -4 11 -5 0.30 1.10 4 11 5 0.20 1.20 5 -11 5 -0.50 0.90 -5 -11 -5 -2.40 1.20 5 -11 5 0.90 1.10 -5 -11 -5 0.20 1.20 5 11 5 0.50 1.20 -5 11 -5 -0.20 1.00 -5 11 -5 1.30 1.30 5 11 5 -0.70 1.20 6 -11 5 0.50 0.90 -6 -11 -5 0.70 1.30 -6 -11 -5 -0.30 1.40 6 -11 5 -0.50 1.00 6 11 5 0.60 1.30 6 11 5 2.00 1.30 -6 11 -5 -0.80 1.30 -6 11 -5 0.60 1.10 7 -11 5 1.80 1.10 -7 -11 -5 -0.90 1.50 7 -11 5 2.50 1.00 -7 11 -5 1.50 1.20 7 11 5 0.00 1.20 8 -11 5 42.90 2.40 -8 -11 -5 48.30 3.60 8 -11 5 49.70 2.70 -8 11 -5 45.50 2.90 -8 11 -5 54.99 3.50 8 11 5 54.89 3.50 -9 -11 -5 -1.00 1.90 9 -11 5 1.50 1.00 9 -11 5 -0.40 1.10 -9 11 -5 2.70 1.70 9 11 5 -1.60 1.60 9 11 5 -0.90 1.80 -9 11 -5 0.40 1.60 10 -11 5 24.00 2.30 10 -11 5 24.30 2.10 -10 -11 -5 26.90 2.80 -10 -11 -5 20.90 2.80 -10 11 -5 21.70 2.60 -10 11 -5 26.30 2.90 10 11 5 19.50 2.30 10 11 5 23.10 2.50 -11 -11 -5 1.00 2.20 11 -11 5 0.10 1.00 11 -11 5 1.40 1.00 -11 -11 -5 -0.20 2.20 -11 11 -5 -2.30 1.60 11 11 5 -2.00 1.90 -11 11 -5 0.60 2.00 11 11 5 -3.50 1.90 -12 -11 -5 4.70 2.90 12 11 5 -1.10 2.00 -12 11 -5 1.70 1.80 -12 11 -5 2.40 2.20 12 11 5 -0.50 2.20 -13 -12 5 1.70 2.40 -13 -12 5 -3.90 2.50 13 12 -5 -0.90 1.80 13 12 -5 0.60 1.40 -13 12 5 2.10 1.30 -13 12 5 0.20 1.80 -12 -12 5 3.80 2.30 -12 -12 5 1.20 2.40 -12 12 5 4.30 1.20 -12 12 5 6.70 1.60 12 12 -5 4.90 1.60 12 12 -5 3.50 1.80 -11 -12 5 -3.10 2.00 -11 -12 5 1.40 2.00 -11 12 5 1.60 1.10 11 12 -5 1.90 1.40 11 12 -5 0.00 1.70 -11 12 5 1.60 1.30 -10 -12 5 10.30 2.20 -10 -12 5 6.30 1.90 -10 12 5 10.60 1.40 10 12 -5 7.80 1.80 10 12 -5 9.00 1.50 -10 12 5 8.60 1.20 -9 -12 5 -1.20 1.70 -9 -12 5 0.40 1.60 -9 12 5 0.90 1.10 -9 12 5 -1.70 0.90 9 12 -5 -0.40 1.50 9 12 -5 -0.50 1.20 -8 -12 5 23.30 3.00 -8 -12 5 16.60 2.00 -8 12 5 16.20 1.90 -8 12 5 17.30 2.20 8 12 -5 22.30 2.30 8 12 -5 13.20 1.80 -7 -12 5 3.00 1.50 -7 -12 5 3.60 1.80 7 12 -5 1.20 1.20 -7 12 5 -0.20 0.90 -7 12 5 -0.40 1.00 7 12 -5 2.20 1.40 -6 -12 5 52.99 3.10 -6 -12 5 52.29 3.20 6 12 -5 51.29 2.80 6 12 -5 47.00 3.10 -6 12 5 48.80 2.40 -6 12 5 48.00 2.60 -5 -12 5 1.70 1.20 -5 -12 5 3.40 1.40 5 12 -5 2.00 1.60 -5 12 5 2.70 1.10 -5 12 5 3.80 1.00 5 12 -5 3.10 1.20 -4 -12 5 22.10 2.30 4 -12 -5 21.80 1.30 -4 -12 5 14.10 1.70 4 -12 -5 19.70 1.20 4 12 -5 16.40 3.00 4 12 -5 20.60 2.20 -4 12 5 22.10 1.90 -4 12 5 24.00 2.20 -3 -12 5 3.60 1.40 -3 -12 5 3.40 1.40 3 -12 -5 1.50 0.80 3 -12 -5 3.60 0.80 -3 12 5 3.40 1.10 -3 12 5 3.70 1.10 3 12 -5 1.00 1.10 -2 -12 5 2.40 1.20 2 -12 -5 1.70 0.90 -2 -12 5 1.40 1.90 2 -12 -5 1.40 0.80 2 12 -5 1.10 1.00 -2 12 5 4.20 1.20 -2 12 5 1.80 1.00 -1 -12 5 99.79 3.70 1 -12 -5 100.09 3.40 1 -12 -5 100.69 3.30 1 12 -5 98.49 3.50 -1 12 5 102.49 3.50 -1 12 5 102.89 3.70 0 -12 5 165.88 5.10 0 -12 -5 177.88 5.00 0 -12 -5 170.88 4.70 0 -12 5 179.08 5.10 0 12 -5 167.98 4.90 0 12 5 175.68 5.00 0 12 5 178.48 5.10 1 -12 5 44.60 2.70 -1 -12 -5 38.30 2.70 1 -12 5 43.70 2.70 -1 -12 -5 44.30 2.60 1 12 5 41.40 2.90 1 12 5 41.50 2.70 -1 12 -5 41.40 2.60 -2 -12 -5 4.30 1.40 2 -12 5 9.20 1.30 2 -12 5 9.60 1.40 -2 -12 -5 11.10 1.60 2 12 5 6.80 2.00 -2 12 -5 7.60 1.60 -2 12 -5 10.70 1.50 2 12 5 6.60 1.40 -3 -12 -5 -3.10 1.20 -3 -12 -5 -1.70 1.40 3 -12 5 -1.90 1.10 3 -12 5 -0.70 1.00 3 12 5 -2.40 1.10 -3 12 -5 -0.20 1.30 3 12 5 -1.90 1.20 -3 12 -5 -0.70 1.10 -4 -12 -5 -1.20 1.20 -4 -12 -5 -2.30 1.20 4 -12 5 0.20 1.10 4 -12 5 -0.70 1.00 -4 12 -5 -0.90 1.10 4 12 5 -2.10 1.10 -4 12 -5 0.80 1.40 -5 -12 -5 -2.00 1.30 5 -12 5 -0.10 1.10 5 -12 5 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2.60 -13 13 5 0.10 1.40 -13 13 5 -0.40 1.80 13 13 -5 0.50 2.20 13 13 -5 -0.70 1.70 -12 -13 5 -3.30 2.40 -12 -13 5 -0.10 2.40 -12 13 5 -1.10 1.60 12 13 -5 -4.20 1.90 12 13 -5 -0.30 1.60 -12 13 5 1.20 1.30 -11 -13 5 3.70 2.20 -11 -13 5 -0.20 2.20 11 13 -5 0.10 1.60 11 13 -5 0.70 1.80 -11 13 5 3.20 1.20 -10 -13 5 -1.10 1.90 -10 -13 5 3.80 2.00 10 13 -5 0.10 2.00 -10 13 5 3.20 1.10 -10 13 5 2.20 1.40 10 13 -5 -3.00 1.50 -9 -13 5 17.50 2.40 -9 -13 5 16.40 2.30 -9 13 5 15.00 1.70 -9 13 5 21.00 2.10 -8 -13 5 19.60 2.40 -8 -13 5 15.60 2.30 -8 13 5 20.30 2.50 8 13 -5 22.30 2.90 8 13 -5 16.10 2.10 -8 13 5 17.80 2.20 -7 -13 5 2.40 1.70 -7 -13 5 1.60 1.50 -7 13 5 0.70 1.20 -7 13 5 -0.60 1.00 7 13 -5 0.40 1.30 7 13 -5 3.00 1.70 -6 -13 5 2.80 1.90 -6 13 5 0.50 1.20 6 13 -5 -0.40 1.20 -6 13 5 0.50 1.00 6 13 -5 0.70 1.50 -5 -13 5 3.70 1.80 5 -13 -5 1.50 0.40 5 -13 -5 1.70 0.40 5 13 -5 0.60 1.60 -5 13 5 1.80 1.00 -5 13 5 1.30 1.10 5 13 -5 0.70 1.30 -4 -13 5 16.20 2.00 4 -13 -5 18.30 1.30 4 -13 -5 19.30 1.40 4 13 -5 21.70 2.30 -4 13 5 19.60 2.10 4 13 -5 22.00 2.90 -4 13 5 21.40 2.30 -3 -13 5 37.50 2.70 3 -13 -5 39.60 2.00 3 -13 -5 37.70 2.00 -3 -13 5 42.60 2.90 3 13 -5 37.00 2.50 -3 13 5 42.20 2.70 3 13 -5 39.10 3.20 -3 13 5 43.90 2.50 2 -13 -5 36.80 2.10 -2 -13 5 33.60 2.70 -2 -13 5 37.90 2.80 2 13 -5 36.40 2.50 2 13 -5 36.70 3.20 -2 13 5 37.90 2.70 -2 13 5 34.40 2.40 1 -13 -5 30.50 2.20 -1 -13 5 29.30 2.70 1 -13 -5 28.50 2.30 -1 13 5 27.60 2.40 1 13 -5 28.70 2.40 -1 13 5 31.30 3.30 1 13 -5 23.70 3.00 0 -13 -5 0.60 1.20 0 -13 -5 2.30 1.20 0 -13 5 2.10 1.30 0 -13 5 -1.30 1.20 0 13 5 0.30 1.60 0 13 -5 -0.20 1.60 0 13 5 1.60 1.30 0 13 -5 3.30 1.30 -1 -13 -5 17.10 2.30 -1 -13 -5 12.80 1.80 1 -13 5 16.00 1.70 1 13 5 17.80 1.90 -1 13 -5 14.20 1.80 1 13 5 15.90 1.80 -1 13 -5 16.60 2.30 2 -13 5 26.90 2.50 -2 -13 -5 22.80 2.40 -2 -13 -5 21.80 2.60 2 -13 5 24.70 3.20 -2 13 -5 26.60 2.90 2 13 5 22.90 2.80 -2 13 -5 24.90 2.30 2 13 5 18.80 2.50 -3 -13 -5 4.70 1.50 3 -13 5 3.70 1.20 -3 -13 -5 3.20 1.50 3 -13 5 2.10 1.20 -3 13 -5 3.40 1.30 3 13 5 1.50 1.30 -3 13 -5 4.40 1.50 3 13 5 1.80 1.30 -4 -13 -5 0.00 1.30 4 -13 5 -1.60 1.00 4 -13 5 -0.20 1.10 -4 -13 -5 -2.00 1.30 -4 13 -5 1.00 1.20 -4 13 -5 1.40 1.40 4 13 5 1.30 2.20 -5 -13 -5 -1.40 1.70 5 -13 5 4.30 1.20 -5 -13 -5 1.00 2.90 5 -13 5 3.30 1.30 5 13 5 4.20 1.50 -5 13 -5 5.40 1.70 -5 13 -5 4.20 1.30 6 -13 5 -0.20 1.10 6 -13 5 -0.20 1.30 -6 -13 -5 1.10 1.60 -6 13 -5 -0.50 1.60 -6 13 -5 2.50 2.20 6 13 5 5.20 1.80 -7 -13 -5 11.50 2.20 7 -13 5 14.00 1.70 -7 -13 -5 9.60 2.20 7 -13 5 18.90 2.30 -7 13 -5 13.20 1.80 7 13 5 10.50 2.10 -7 13 -5 12.70 2.20 7 13 5 11.60 2.10 -8 -13 -5 31.70 3.70 8 -13 5 27.20 2.30 8 -13 5 30.00 2.70 -8 -13 -5 32.90 4.00 8 13 5 30.40 3.50 -8 13 -5 21.10 2.90 8 13 5 30.00 3.60 -8 13 -5 30.30 3.80 9 -13 5 -0.20 1.30 -9 -13 -5 -1.40 1.90 -9 -13 -5 1.70 2.30 9 -13 5 -0.10 1.00 -9 13 -5 2.60 1.50 9 13 5 2.30 1.90 -9 13 -5 0.20 2.00 9 13 5 0.00 2.00 -10 -13 -5 5.60 2.40 10 -13 5 3.80 1.30 -10 -13 -5 -0.40 2.50 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1 4 0.21 0.00 16 1 4 -0.05 0.00 -17 2 4 -0.06 0.00 -16 7 4 0.31 0.00 15 7 4 0.12 0.00 -15 10 4 -0.05 0.00 -14 12 4 0.05 0.00 -4 20 4 0.16 0.00 3 20 4 -0.18 0.00 -17 0 5 0.41 0.00 -17 1 5 0.01 0.00 -17 2 5 0.14 0.00 15 6 5 -0.01 0.00 -16 7 5 -0.40 0.00 14 9 5 -0.72 0.00 13 11 5 -0.42 0.00 5 19 5 0.45 0.00 -3 20 5 0.22 0.00 2 20 5 0.27 0.00 -17 1 6 0.37 0.00 -17 2 6 -0.13 0.00 15 4 6 -0.34 0.00 -16 7 6 0.09 0.00 14 8 6 -0.42 0.00 10 15 6 0.07 0.00 9 16 6 -0.11 0.00 -8 18 6 0.16 0.00 -6 19 6 -0.11 0.00 -2 20 6 -0.72 0.00 -1 20 6 -0.62 0.00 0 20 6 -0.18 0.00 -17 0 7 0.47 0.00 15 0 7 0.24 0.00 15 1 7 -0.38 0.00 15 2 7 -0.28 0.00 14 7 7 0.10 0.00 -13 13 7 -0.24 0.00 11 13 7 0.32 0.00 -9 17 7 -0.17 0.00 14 5 8 0.02 0.00 -16 6 8 -0.65 0.00 -15 9 8 -0.44 0.00 -14 11 8 0.16 0.00 -12 14 8 0.03 0.00 -11 15 8 -0.06 0.00 9 15 8 0.78 0.00 -10 16 8 0.18 0.00 -7 18 8 -0.10 0.00 5 18 8 -0.01 0.00 2 19 8 0.13 0.00 14 2 9 0.41 0.00 14 3 9 0.01 0.00 13 7 9 0.27 0.00 12 10 9 -0.19 0.00 10 13 9 -0.82 0.00 4 18 9 -0.11 0.00 -3 19 9 -0.06 0.00 -2 19 9 -0.03 0.00 0 19 9 -0.27 0.00 13 6 10 0.25 0.00 -15 8 10 0.09 0.00 -13 12 10 -0.62 0.00 5 17 10 0.77 0.00 13 2 11 0.62 0.00 -16 3 11 -0.06 0.00 13 3 11 -0.20 0.00 -15 7 11 0.19 0.00 12 7 11 0.46 0.00 -11 14 11 0.01 0.00 8 14 11 -0.03 0.00 7 15 11 0.16 0.00 4 17 11 -0.57 0.00 -4 18 11 -0.21 0.00 1 18 11 0.19 0.00 -16 0 12 -0.02 0.00 12 5 12 0.11 0.00 -15 6 12 0.49 0.00 11 8 12 -0.04 0.00 -14 9 12 0.15 0.00 10 10 12 -0.07 0.00 8 13 12 0.08 0.00 7 14 12 -0.10 0.00 6 15 12 -0.03 0.00 2 17 12 -0.43 0.00 12 1 13 -0.49 0.00 12 2 13 0.58 0.00 -15 5 13 0.65 0.00 -14 8 13 0.14 0.00 10 9 13 0.02 0.00 -13 10 13 0.27 0.00 8 12 13 -0.13 0.00 7 13 13 -0.02 0.00 6 14 13 0.16 0.00 5 15 13 -0.05 0.00 3 16 13 0.43 0.00 -3 17 13 -0.29 0.00 -2 17 13 0.55 0.00 -1 17 13 -0.03 0.00 0 17 13 0.21 0.00 -15 2 14 0.23 0.00 -15 3 14 -0.11 0.00 11 3 14 0.53 0.00 11 4 14 -0.42 0.00 -14 7 14 -0.22 0.00 10 7 14 0.72 0.00 -13 9 14 0.37 0.00 8 11 14 -0.24 0.00 -11 12 14 -0.38 0.00 7 12 14 0.34 0.00 -10 13 14 0.43 0.00 6 13 14 -0.13 0.00 -9 14 14 -0.30 0.00 5 14 14 -0.13 0.00 -5 16 14 -0.41 0.00 1 16 14 -0.11 0.00 -14 5 15 -0.14 0.00 10 5 15 -0.25 0.00 -13 8 15 0.30 0.00 9 8 15 0.16 0.00 -11 11 15 -0.21 0.00 7 11 15 0.38 0.00 6 12 15 -0.57 0.00 -9 13 15 -0.26 0.00 5 13 15 0.29 0.00 -8 14 15 -0.10 0.00 -6 15 15 -0.48 0.00 2 15 15 -0.58 0.00 -14 2 16 0.26 0.00 -14 3 16 -0.20 0.00 9 5 16 0.23 0.00 8 8 16 -0.19 0.00 -11 10 16 0.15 0.00 6 11 16 -0.50 0.00 5 12 16 0.69 0.00 -8 13 16 -0.14 0.00 -6 14 16 -0.26 0.00 2 14 16 -0.58 0.00 -2 15 16 0.24 0.00 9 0 17 0.39 0.00 9 1 17 -0.52 0.00 -13 4 17 -0.22 0.00 8 5 17 -0.30 0.00 8 6 17 0.37 0.00 -12 7 17 0.08 0.00 7 8 17 0.12 0.00 -11 9 17 0.18 0.00 6 9 17 -0.14 0.00 -10 10 17 -0.77 0.00 -8 12 17 -0.19 0.00 -6 13 17 0.19 0.00 2 13 17 -0.25 0.00 -3 14 17 -0.50 0.00 -2 14 17 0.03 0.00 8 0 18 -0.32 0.00 8 1 18 0.40 0.00 -12 5 18 0.89 0.00 7 5 18 0.41 0.00 6 7 18 0.42 0.00 -10 9 18 -0.71 0.00 5 9 18 0.20 0.00 -9 10 18 0.85 0.00 4 10 18 -0.27 0.00 -8 11 18 -0.31 0.00 3 11 18 0.14 0.00 -6 12 18 0.58 0.00 1 12 18 0.64 0.00 -3 13 18 -0.69 0.00 -2 13 18 0.04 0.00 -12 1 19 0.34 0.00 6 4 19 0.09 0.00 -11 5 19 -0.83 0.00 6 5 19 -0.40 0.00 -10 7 19 -0.47 0.00 5 7 19 -0.13 0.00 4 8 19 0.09 0.00 3 9 19 0.05 0.00 -7 10 19 -0.38 0.00 2 10 19 -0.13 0.00 -6 11 19 0.61 0.00 -5 11 19 -0.23 0.00 0 11 19 -0.02 0.00 -11 1 20 0.34 0.00 5 2 20 -0.11 0.00 5 3 20 0.05 0.00 5 4 20 0.02 0.00 -10 5 20 0.43 0.00 4 6 20 -0.19 0.00 3 7 20 0.33 0.00 -8 8 20 0.16 0.00 2 8 20 -0.50 0.00 -6 9 20 0.17 0.00 1 9 20 0.42 0.00 -4 10 20 -0.16 0.00 -3 10 20 0.04 0.00 -2 10 20 -0.34 0.00 -1 10 20 -0.01 0.00 4 1 21 -0.45 0.00 -9 3 21 -0.17 0.00 3 3 21 -0.06 0.00 -9 4 21 0.02 0.00 3 4 21 -0.24 0.00 -8 5 21 0.25 0.00 2 6 21 0.02 0.00 1 7 21 -0.20 0.00 -5 8 21 0.00 0.00 -4 8 21 -0.19 0.00 -3 8 21 0.47 0.00 -2 8 21 -0.12 0.00 -1 8 21 0.14 0.00 -8 0 22 0.31 0.00 2 0 22 0.09 0.00 2 1 22 0.27 0.00 1 2 22 -0.01 0.00 -7 3 22 0.06 0.00 1 3 22 -0.11 0.00 -6 4 22 -0.45 0.00 0 4 22 -0.02 0.00 -6 5 22 -0.34 0.00 -5 5 22 0.49 0.00 -1 5 22 -0.14 0.00 0 5 22 -0.08 0.00 -4 6 22 -0.28 0.00 -3 6 22 -0.27 0.00 -2 6 22 0.17 0.00 -3 0 23 0.02 0.00 -4 1 23 -0.10 0.00 -3 1 23 0.22 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 128 41 ' ' 2 0.500 0.000 1.000 128 41 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 1 0 2.011 0 2 0 2.529 -1 0 1 1.769 1 0 1 2.110 -1 1 1 2.174 0 1 1 1.717 1 1 1 2.460 0 2 1 2.783 -2 0 2 3.539 0 0 2 2.322 -1 1 2 2.848 0 1 2 2.644 -3 0 3 5.313 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL mo_molan50P 21/nk_0m_a R = 0.08 CELL 13.2520 16.1040 17.8430 90.00 100.51 90.00 SPGR P21/n # Solvent Accessible Volume = 256 # Electrons Found in S.A.V. = 81 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.442 0.025 0.951 ! 3.28 eA-3 C102 0.955 0.527 0.440 ! 2.76 eA-3 C103 0.503 0.076 0.007 ! 2.56 eA-3 Q104 0.339 0.725 0.550 ! 1.03 eA-3 ) ; _shelx_fab_checksum 91946 data_mo_molan508e_375k_0m_a_sq _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' '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' 'Fe' 'Fe' 0.3463 0.8444 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.324(6) _cell_length_b 16.119(8) _cell_length_c 17.998(9) _cell_angle_alpha 90 _cell_angle_beta 100.213(19) _cell_angle_gamma 90 _cell_volume 3804(3) _cell_formula_units_Z 4 _cell_measurement_temperature 375(2) _cell_measurement_reflns_used 9321 _cell_measurement_theta_min 2.97 _cell_measurement_theta_max 26.59 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.248 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.441 _shelx_estimated_absorpt_T_min 0.772 _shelx_estimated_absorpt_T_max 0.966 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6302 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 375(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 50615 _diffrn_reflns_av_unetI/netI 0.0403 _diffrn_reflns_av_R_equivalents 0.0671 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.967 _diffrn_reflns_theta_max 27.100 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.987 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.987 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.987 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 8277 _reflns_number_gt 4846 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0570P)^2^+2.8142P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 8277 _refine_ls_number_parameters 537 _refine_ls_number_restraints 136 _refine_ls_R_factor_all 0.1113 _refine_ls_R_factor_gt 0.0542 _refine_ls_wR_factor_ref 0.1582 _refine_ls_wR_factor_gt 0.1210 _refine_ls_goodness_of_fit_ref 1.063 _refine_ls_restrained_S_all 1.060 _refine_ls_shift/su_max 0.057 _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 Fe1 Fe 0.66450(3) 0.27583(3) 0.44943(3) 0.04964(15) Uani 1 1 d . . . . . O1 O 1.22691(17) 0.25572(18) 0.25309(14) 0.0758(7) Uani 1 1 d . . . . . O2 O 0.10758(19) 0.2520(2) 0.65581(17) 0.0915(9) Uani 1 1 d . . . . . N1 N 0.71360(17) 0.33426(15) 0.37130(15) 0.0497(6) Uani 1 1 d . . . . . N2 N 0.79730(18) 0.31865(15) 0.34433(14) 0.0496(6) Uani 1 1 d . . . . . N3 N 0.86193(18) 0.20848(16) 0.43405(14) 0.0499(6) Uani 1 1 d . . . . . N4 N 0.78017(18) 0.20595(15) 0.46591(13) 0.0472(6) Uani 1 1 d . . . . . N5 N 0.55181(18) 0.20427(15) 0.43864(13) 0.0461(6) Uani 1 1 d . . . . . N6 N 0.47136(17) 0.20589(15) 0.47215(13) 0.0459(6) Uani 1 1 d . . . . . N7 N 0.52752(18) 0.32662(15) 0.55006(14) 0.0479(6) Uani 1 1 d . . . . . N8 N 0.60941(17) 0.33991(15) 0.51945(14) 0.0490(6) Uani 1 1 d D . . . . C1 C 0.6543(2) 0.39921(19) 0.32889(19) 0.0541(8) Uani 1 1 d . . . . . C2 C 0.5530(3) 0.4102(3) 0.3348(2) 0.0716(10) Uani 1 1 d . . . . . H2 H 0.523005 0.374530 0.365035 0.086 Uiso 1 1 calc R U . . . C3 C 0.4954(3) 0.4736(3) 0.2963(3) 0.0868(13) Uani 1 1 d . . . . . H3 H 0.427614 0.480024 0.301404 0.104 Uiso 1 1 calc R U . . . C4 C 0.5373(3) 0.5271(3) 0.2509(3) 0.0877(13) Uani 1 1 d . . . . . H4 H 0.499104 0.570326 0.225977 0.105 Uiso 1 1 calc R U . . . C5 C 0.6369(3) 0.5150(3) 0.2432(3) 0.0931(14) Uani 1 1 d . . . . . H5 H 0.665918 0.549695 0.211562 0.112 Uiso 1 1 calc R U . . . C6 C 0.6950(3) 0.4523(2) 0.2817(3) 0.0793(12) Uani 1 1 d . . . . . H6 H 0.762415 0.445729 0.275730 0.095 Uiso 1 1 calc R U . . . C7 C 0.8652(2) 0.26256(18) 0.37712(17) 0.0441(7) Uani 1 1 d . . . . . C8 C 0.9610(2) 0.25781(18) 0.34496(17) 0.0443(7) Uani 1 1 d . . . . . C9 C 0.9615(2) 0.2762(2) 0.26965(17) 0.0510(7) Uani 1 1 d . . . . . H9 H 0.900816 0.290539 0.238250 0.061 Uiso 1 1 calc R U . . . C10 C 1.0506(2) 0.2734(2) 0.24074(18) 0.0548(8) Uani 1 1 d . . . . . H10 H 1.049163 0.285151 0.189982 0.066 Uiso 1 1 calc R U . . . C11 C 1.1426(2) 0.25311(19) 0.28690(18) 0.0495(7) Uani 1 1 d . . . . . C12 C 1.1438(2) 0.2339(2) 0.36255(19) 0.0554(8) Uani 1 1 d . . . . . H12 H 1.204642 0.219780 0.393873 0.067 Uiso 1 1 calc R U . . . C13 C 1.0541(2) 0.2359(2) 0.39052(18) 0.0565(8) Uani 1 1 d . . . . . H13 H 1.055208 0.222378 0.440887 0.068 Uiso 1 1 calc R U . . . C14 C 1.3235(3) 0.2384(3) 0.2983(3) 0.1044(17) Uani 1 1 d . . . . . H14A H 1.375831 0.243685 0.268232 0.157 Uiso 1 1 calc R U . . . H14B H 1.323557 0.182886 0.317684 0.157 Uiso 1 1 calc R U . . . H14C H 1.336174 0.276909 0.339620 0.157 Uiso 1 1 calc R U . . . C15 C 0.7849(2) 0.13712(19) 0.51789(17) 0.0490(7) Uani 1 1 d . . . . . C16 C 0.8312(3) 0.0632(2) 0.5048(2) 0.0732(11) Uani 1 1 d . . . . . H16 H 0.860776 0.056832 0.462050 0.088 Uiso 1 1 calc R U . . . C17 C 0.8332(4) -0.0017(2) 0.5558(3) 0.0904(13) Uani 1 1 d . . . . . H17 H 0.864535 -0.051364 0.546969 0.108 Uiso 1 1 calc R U . . . C18 C 0.7896(3) 0.0064(3) 0.6191(2) 0.0811(12) Uani 1 1 d . . . . . H18 H 0.790773 -0.037605 0.652658 0.097 Uiso 1 1 calc R U . . . C19 C 0.7447(3) 0.0795(3) 0.6323(2) 0.0795(11) Uani 1 1 d . . . . . H19 H 0.715506 0.085439 0.675283 0.095 Uiso 1 1 calc R U . . . C20 C 0.7420(3) 0.1450(2) 0.58245(19) 0.0632(9) Uani 1 1 d . . . . . H20 H 0.711311 0.194719 0.592190 0.076 Uiso 1 1 calc R U . . . C21 C 0.5501(2) 0.13431(18) 0.38877(16) 0.0450(7) Uani 1 1 d . . . . . C22 C 0.5171(3) 0.0578(2) 0.4090(2) 0.0694(10) Uani 1 1 d . . . . . H22 H 0.493748 0.051459 0.454353 0.083 Uiso 1 1 calc R U . . . C23 C 0.5188(3) -0.0095(2) 0.3615(3) 0.0820(12) Uani 1 1 d . . . . . H23 H 0.498219 -0.061274 0.375906 0.098 Uiso 1 1 calc R U . . . C24 C 0.5507(3) -0.0008(2) 0.2928(3) 0.0782(12) Uani 1 1 d . . . . . H24 H 0.550393 -0.046142 0.260723 0.094 Uiso 1 1 calc R U . . . C25 C 0.5828(3) 0.0752(3) 0.2726(2) 0.0777(12) Uani 1 1 d . . . . . H25 H 0.604842 0.081498 0.226757 0.093 Uiso 1 1 calc R U . . . C26 C 0.5826(2) 0.1431(2) 0.32027(19) 0.0584(8) Uani 1 1 d . . . . . H26 H 0.604410 0.194612 0.306067 0.070 Uiso 1 1 calc R U . . . C27 C 0.4634(2) 0.26427(18) 0.52416(16) 0.0422(6) Uani 1 1 d . . . . . C28 C 0.3703(2) 0.25852(19) 0.55888(16) 0.0444(7) Uani 1 1 d . . . . . C29 C 0.3392(2) 0.3243(2) 0.5991(2) 0.0634(9) Uani 1 1 d . . . . . H29 H 0.378058 0.372583 0.605251 0.076 Uiso 1 1 calc R U . . . C30 C 0.2518(3) 0.3194(2) 0.6301(2) 0.0738(11) Uani 1 1 d . . . . . H30 H 0.232514 0.364617 0.656427 0.089 Uiso 1 1 calc R U . . . C31 C 0.1932(2) 0.2494(2) 0.62288(19) 0.0598(9) Uani 1 1 d . . . . . C32 C 0.2233(2) 0.1820(2) 0.58554(19) 0.0625(9) Uani 1 1 d . . . . . H32 H 0.185330 0.133343 0.581630 0.075 Uiso 1 1 calc R U . . . C33 C 0.3108(2) 0.1869(2) 0.55361(18) 0.0571(8) Uani 1 1 d . . . . . H33 H 0.330238 0.141156 0.528045 0.068 Uiso 1 1 calc R U . . . C34 C 0.0309(3) 0.1918(3) 0.6349(3) 0.0941(14) Uani 1 1 d . . . . . H34A H 0.011514 0.190893 0.580916 0.141 Uiso 1 1 calc R U . . . H34B H -0.027353 0.205351 0.657161 0.141 Uiso 1 1 calc R U . . . H34C H 0.056434 0.138264 0.652341 0.141 Uiso 1 1 calc R U . . . C35 C 0.6708(11) 0.4056(7) 0.5620(8) 0.040(4) Uani 0.342(3) 1 d DG U P A 1 C36 C 0.6653(10) 0.4843(9) 0.5301(7) 0.063(5) Uani 0.342(3) 1 d G . P A 1 H36 H 0.622138 0.494086 0.484333 0.076 Uiso 0.342(3) 1 calc R U P A 1 C37 C 0.7243(11) 0.5484(6) 0.5664(9) 0.060(5) Uani 0.342(3) 1 d G . P A 1 H37 H 0.720571 0.601111 0.545053 0.072 Uiso 0.342(3) 1 calc R U P A 1 C38 C 0.7888(12) 0.5338(9) 0.6348(10) 0.089(7) Uani 0.342(3) 1 d G U P A 1 H38 H 0.828233 0.576720 0.659114 0.107 Uiso 0.342(3) 1 calc R U P A 1 C39 C 0.7943(12) 0.4551(11) 0.6667(8) 0.081(6) Uani 0.342(3) 1 d G . P A 1 H39 H 0.837462 0.445304 0.712456 0.097 Uiso 0.342(3) 1 calc R U P A 1 C40 C 0.7353(11) 0.3910(7) 0.6304(8) 0.057(5) Uani 0.342(3) 1 d G . P A 1 H40 H 0.739030 0.338277 0.651738 0.068 Uiso 0.342(3) 1 calc R U P A 1 C35' C 0.6694(14) 0.4089(9) 0.5577(9) 0.055(6) Uani 0.294(3) 1 d DG U P A 2 C36' C 0.6957(13) 0.4783(10) 0.5195(7) 0.067(6) Uani 0.294(3) 1 d G . P A 2 H36' H 0.670445 0.484540 0.468195 0.081 Uiso 0.294(3) 1 calc R U P A 2 C37' C 0.7597(11) 0.5383(7) 0.5579(10) 0.079(6) Uani 0.294(3) 1 d G . P A 2 H37' H 0.777319 0.584709 0.532268 0.095 Uiso 0.294(3) 1 calc R U P A 2 C38' C 0.7975(13) 0.5290(9) 0.6345(10) 0.083(7) Uani 0.294(3) 1 d G . P A 2 H38' H 0.840329 0.569105 0.660175 0.099 Uiso 0.294(3) 1 calc R U P A 2 C39' C 0.7712(14) 0.4596(11) 0.6727(8) 0.068(4) Uani 0.294(3) 1 d G . P A 2 H39' H 0.796465 0.453332 0.724011 0.082 Uiso 0.294(3) 1 calc R U P A 2 C40' C 0.7072(13) 0.3996(8) 0.6344(9) 0.053(4) Uani 0.294(3) 1 d G . P A 2 H40' H 0.689591 0.353161 0.659940 0.064 Uiso 0.294(3) 1 calc R U P A 2 C35" C 0.6700(8) 0.4070(6) 0.5529(7) 0.060(5) Uani 0.364(3) 1 d DG U P A 3 C36" C 0.6334(8) 0.4877(8) 0.5425(8) 0.093(6) Uani 0.364(3) 1 d G . P A 3 H36" H 0.571748 0.497948 0.510567 0.111 Uiso 0.364(3) 1 calc R U P A 3 C37" C 0.6889(10) 0.5530(5) 0.5798(8) 0.090(5) Uani 0.364(3) 1 d G . P A 3 H37" H 0.664432 0.606996 0.572906 0.108 Uiso 0.364(3) 1 calc R U P A 3 C38" C 0.7811(10) 0.5377(6) 0.6276(8) 0.100(7) Uani 0.364(3) 1 d G . P A 3 H38" H 0.818210 0.581372 0.652560 0.120 Uiso 0.364(3) 1 calc R U P A 3 C39" C 0.8177(8) 0.4570(7) 0.6379(8) 0.130(9) Uani 0.364(3) 1 d G . P A 3 H39" H 0.879304 0.446698 0.669876 0.156 Uiso 0.364(3) 1 calc R U P A 3 C40" C 0.7621(8) 0.3916(5) 0.6006(7) 0.086(5) Uani 0.364(3) 1 d G . P A 3 H40" H 0.786621 0.337648 0.607538 0.103 Uiso 0.364(3) 1 calc R U P A 3 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 Fe1 0.0399(2) 0.0555(3) 0.0580(3) -0.0033(2) 0.02087(19) -0.0036(2) O1 0.0455(13) 0.112(2) 0.0759(16) 0.0112(15) 0.0278(12) 0.0064(13) O2 0.0564(15) 0.123(2) 0.107(2) -0.0277(18) 0.0476(15) -0.0152(15) N1 0.0341(12) 0.0432(14) 0.0729(17) -0.0047(12) 0.0125(12) -0.0024(10) N2 0.0414(13) 0.0490(15) 0.0600(16) -0.0011(12) 0.0135(12) 0.0005(11) N3 0.0405(13) 0.0535(16) 0.0582(16) 0.0029(12) 0.0157(12) 0.0005(11) N4 0.0492(14) 0.0486(15) 0.0466(14) 0.0008(11) 0.0165(11) -0.0058(11) N5 0.0493(14) 0.0450(14) 0.0488(14) -0.0008(11) 0.0221(11) -0.0012(11) N6 0.0411(13) 0.0546(15) 0.0447(14) -0.0014(12) 0.0152(11) -0.0035(11) N7 0.0406(13) 0.0536(15) 0.0518(15) -0.0055(12) 0.0145(11) -0.0041(11) N8 0.0407(13) 0.0488(15) 0.0588(15) -0.0017(12) 0.0122(12) -0.0057(11) C1 0.0438(17) 0.0417(17) 0.074(2) -0.0081(16) 0.0032(16) 0.0008(13) C2 0.049(2) 0.082(3) 0.082(3) 0.005(2) 0.0070(18) 0.0092(18) C3 0.058(2) 0.097(3) 0.103(3) -0.001(3) 0.007(2) 0.025(2) C4 0.076(3) 0.061(3) 0.118(4) 0.003(2) -0.007(3) 0.016(2) C5 0.077(3) 0.067(3) 0.130(4) 0.024(3) 0.003(3) -0.004(2) C6 0.054(2) 0.058(2) 0.124(4) 0.016(2) 0.010(2) -0.0049(18) C7 0.0383(15) 0.0490(17) 0.0458(16) -0.0007(14) 0.0100(13) -0.0035(13) C8 0.0416(15) 0.0429(16) 0.0499(17) 0.0019(13) 0.0119(13) 0.0012(12) C9 0.0395(15) 0.062(2) 0.0514(18) 0.0039(15) 0.0068(13) 0.0035(14) C10 0.0532(18) 0.067(2) 0.0460(17) 0.0049(16) 0.0152(14) 0.0029(16) C11 0.0380(15) 0.0544(18) 0.0584(19) -0.0002(15) 0.0149(14) -0.0020(13) C12 0.0402(16) 0.065(2) 0.061(2) 0.0093(17) 0.0080(14) 0.0040(15) C13 0.0500(18) 0.070(2) 0.0513(19) 0.0139(16) 0.0125(15) 0.0075(16) C14 0.0377(19) 0.165(5) 0.114(4) 0.015(3) 0.022(2) 0.008(2) C15 0.0495(17) 0.0477(18) 0.0501(18) 0.0007(14) 0.0099(14) -0.0076(14) C16 0.104(3) 0.054(2) 0.069(2) 0.0024(18) 0.035(2) 0.003(2) C17 0.127(4) 0.051(2) 0.097(3) 0.005(2) 0.031(3) 0.006(2) C18 0.103(3) 0.065(3) 0.077(3) 0.022(2) 0.019(2) -0.011(2) C19 0.094(3) 0.085(3) 0.066(2) 0.016(2) 0.032(2) -0.001(2) C20 0.068(2) 0.064(2) 0.061(2) 0.0100(17) 0.0224(18) 0.0063(17) C21 0.0438(15) 0.0448(17) 0.0492(17) -0.0010(13) 0.0159(13) -0.0015(13) C22 0.093(3) 0.054(2) 0.068(2) -0.0012(18) 0.035(2) -0.0080(19) C23 0.104(3) 0.045(2) 0.104(3) -0.002(2) 0.037(3) -0.010(2) C24 0.077(3) 0.055(2) 0.110(3) -0.032(2) 0.036(2) -0.0099(19) C25 0.084(3) 0.079(3) 0.082(3) -0.025(2) 0.048(2) -0.014(2) C26 0.064(2) 0.0525(19) 0.067(2) -0.0091(16) 0.0326(17) -0.0121(16) C27 0.0368(14) 0.0515(18) 0.0391(15) -0.0006(13) 0.0085(12) 0.0002(13) C28 0.0389(14) 0.0529(18) 0.0416(16) -0.0026(13) 0.0079(12) -0.0006(13) C29 0.0526(19) 0.059(2) 0.084(2) -0.0123(18) 0.0281(18) -0.0087(16) C30 0.059(2) 0.074(3) 0.096(3) -0.024(2) 0.035(2) 0.0010(19) C31 0.0382(16) 0.083(2) 0.062(2) -0.0086(18) 0.0192(15) -0.0048(16) C32 0.0516(18) 0.072(2) 0.069(2) -0.0069(18) 0.0226(17) -0.0168(17) C33 0.0548(19) 0.060(2) 0.060(2) -0.0112(16) 0.0201(16) -0.0079(15) C34 0.050(2) 0.140(4) 0.096(3) -0.001(3) 0.024(2) -0.020(2) C35 0.032(5) 0.039(5) 0.051(6) -0.005(3) 0.012(3) -0.005(3) C36 0.086(12) 0.041(5) 0.065(8) -0.004(5) 0.016(8) 0.003(5) C37 0.070(10) 0.034(5) 0.082(7) -0.006(5) 0.034(7) 0.002(5) C38 0.088(8) 0.087(8) 0.091(8) -0.004(5) 0.016(4) -0.006(5) C39 0.067(11) 0.092(9) 0.078(10) -0.002(7) -0.005(8) -0.017(7) C40 0.032(8) 0.075(8) 0.063(7) 0.002(6) 0.008(5) 0.002(6) C35' 0.049(8) 0.054(7) 0.063(7) 0.000(4) 0.012(4) -0.008(4) C36' 0.080(11) 0.063(8) 0.059(8) 0.002(6) 0.012(7) -0.020(7) C37' 0.078(12) 0.066(9) 0.096(9) -0.022(7) 0.019(8) -0.013(8) C38' 0.085(13) 0.062(10) 0.097(9) -0.039(8) 0.006(7) -0.035(9) C39' 0.055(8) 0.067(8) 0.085(9) -0.029(6) 0.016(6) -0.003(6) C40' 0.044(10) 0.049(7) 0.067(6) -0.001(5) 0.010(6) 0.001(6) C35" 0.056(6) 0.059(6) 0.067(6) -0.006(4) 0.017(4) -0.005(4) C36" 0.091(10) 0.067(6) 0.114(12) -0.019(6) 0.005(9) 0.015(5) C37" 0.102(10) 0.058(7) 0.118(12) -0.020(6) 0.040(8) 0.000(6) C38" 0.100(11) 0.053(7) 0.145(16) -0.021(9) 0.017(9) -0.041(7) C39" 0.103(11) 0.069(7) 0.190(19) -0.022(8) -0.051(12) -0.025(6) C40" 0.072(7) 0.044(6) 0.129(11) -0.009(7) -0.014(7) -0.013(5) _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 Fe1 N5 1.876(2) . ? Fe1 N8 1.877(3) . ? Fe1 N4 1.889(3) . ? Fe1 N1 1.902(3) . ? O1 C11 1.369(3) . ? O1 C14 1.423(4) . ? O2 C31 1.377(4) . ? O2 C34 1.410(5) . ? N1 N2 1.317(3) . ? N1 C1 1.445(4) . ? N2 C7 1.340(4) . ? N3 N4 1.319(3) . ? N3 C7 1.352(4) . ? N4 C15 1.445(4) . ? N5 N6 1.320(3) . ? N5 C21 1.439(4) . ? N6 C27 1.345(4) . ? N7 N8 1.324(3) . ? N7 C27 1.348(4) . ? N8 C35" 1.418(7) . ? N8 C35 1.468(7) . ? N8 C35' 1.468(8) . ? C1 C6 1.382(5) . ? C1 C2 1.384(4) . ? C2 C3 1.387(5) . ? C2 H2 0.9300 . ? C3 C4 1.372(6) . ? C3 H3 0.9300 . ? C4 C5 1.373(6) . ? C4 H4 0.9300 . ? C5 C6 1.381(5) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C7 C8 1.495(4) . ? C8 C9 1.388(4) . ? C8 C13 1.405(4) . ? C9 C10 1.378(4) . ? C9 H9 0.9300 . ? C10 C11 1.393(4) . ? C10 H10 0.9300 . ? C11 C12 1.394(4) . ? C12 C13 1.376(4) . ? C12 H12 0.9300 . ? C13 H13 0.9300 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 C16 1.382(5) . ? C15 C20 1.389(4) . ? C16 C17 1.388(5) . ? C16 H16 0.9300 . ? C17 C18 1.374(6) . ? C17 H17 0.9300 . ? C18 C19 1.361(6) . ? C18 H18 0.9300 . ? C19 C20 1.382(5) . ? C19 H19 0.9300 . ? C20 H20 0.9300 . ? C21 C22 1.380(4) . ? C21 C26 1.385(4) . ? C22 C23 1.384(5) . ? C22 H22 0.9300 . ? C23 C24 1.384(6) . ? C23 H23 0.9300 . ? C24 C25 1.368(5) . ? C24 H24 0.9300 . ? C25 C26 1.391(5) . ? C25 H25 0.9300 . ? C26 H26 0.9300 . ? C27 C28 1.487(4) . ? C28 C29 1.387(4) . ? C28 C33 1.393(4) . ? C29 C30 1.380(4) . ? C29 H29 0.9300 . ? C30 C31 1.365(5) . ? C30 H30 0.9300 . ? C31 C32 1.374(5) . ? C32 C33 1.390(4) . ? C32 H32 0.9300 . ? C33 H33 0.9300 . ? C34 H34A 0.9600 . ? C34 H34B 0.9600 . ? C34 H34C 0.9600 . ? C35 C36 1.3900 . ? C35 C40 1.3900 . ? C36 C37 1.3900 . ? C36 H36 0.9300 . ? C37 C38 1.3900 . ? C37 H37 0.9300 . ? C38 C39 1.3900 . ? C38 H38 0.9300 . ? C39 C40 1.3900 . ? C39 H39 0.9300 . ? C40 H40 0.9300 . ? C35' C36' 1.3900 . ? C35' C40' 1.3900 . ? C36' C37' 1.3900 . ? C36' H36' 0.9300 . ? C37' C38' 1.3900 . ? C37' H37' 0.9300 . ? C38' C39' 1.3900 . ? C38' H38' 0.9300 . ? C39' C40' 1.3900 . ? C39' H39' 0.9300 . ? C40' H40' 0.9300 . ? C35" C36" 1.3900 . ? C35" C40" 1.3900 . ? C36" C37" 1.3900 . ? C36" H36" 0.9300 . ? C37" C38" 1.3900 . ? C37" H37" 0.9300 . ? C38" C39" 1.3900 . ? C38" H38" 0.9300 . ? C39" C40" 1.3900 . ? C39" H39" 0.9300 . ? C40" H40" 0.9300 . ? 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 N5 Fe1 N8 90.39(10) . . ? N5 Fe1 N4 105.39(11) . . ? N8 Fe1 N4 128.90(11) . . ? N5 Fe1 N1 126.99(11) . . ? N8 Fe1 N1 116.78(11) . . ? N4 Fe1 N1 91.91(10) . . ? C11 O1 C14 118.0(3) . . ? C31 O2 C34 118.7(3) . . ? N2 N1 C1 111.3(2) . . ? N2 N1 Fe1 127.1(2) . . ? C1 N1 Fe1 121.45(19) . . ? N1 N2 C7 121.1(3) . . ? N4 N3 C7 119.3(2) . . ? N3 N4 C15 111.1(2) . . ? N3 N4 Fe1 128.8(2) . . ? C15 N4 Fe1 120.00(19) . . ? N6 N5 C21 112.1(2) . . ? N6 N5 Fe1 129.82(19) . . ? C21 N5 Fe1 118.06(17) . . ? N5 N6 C27 120.2(2) . . ? N8 N7 C27 119.7(2) . . ? N7 N8 C35" 113.3(6) . . ? N7 N8 C35 108.9(7) . . ? N7 N8 C35' 110.3(9) . . ? N7 N8 Fe1 129.77(19) . . ? C35" N8 Fe1 116.3(6) . . ? C35 N8 Fe1 119.9(7) . . ? C35' N8 Fe1 119.1(9) . . ? C6 C1 C2 117.5(3) . . ? C6 C1 N1 122.4(3) . . ? C2 C1 N1 120.1(3) . . ? C1 C2 C3 121.1(4) . . ? C1 C2 H2 119.4 . . ? C3 C2 H2 119.4 . . ? C4 C3 C2 120.9(4) . . ? C4 C3 H3 119.6 . . ? C2 C3 H3 119.6 . . ? C3 C4 C5 118.2(4) . . ? C3 C4 H4 120.9 . . ? C5 C4 H4 120.9 . . ? C4 C5 C6 121.2(4) . . ? C4 C5 H5 119.4 . . ? C6 C5 H5 119.4 . . ? C5 C6 C1 121.0(4) . . ? C5 C6 H6 119.5 . . ? C1 C6 H6 119.5 . . ? N2 C7 N3 131.3(3) . . ? N2 C7 C8 114.9(3) . . ? N3 C7 C8 113.9(2) . . ? C9 C8 C13 117.8(3) . . ? C9 C8 C7 121.3(3) . . ? C13 C8 C7 120.9(3) . . ? C10 C9 C8 121.0(3) . . ? C10 C9 H9 119.5 . . ? C8 C9 H9 119.5 . . ? C9 C10 C11 120.6(3) . . ? C9 C10 H10 119.7 . . ? C11 C10 H10 119.7 . . ? O1 C11 C10 115.6(3) . . ? O1 C11 C12 125.0(3) . . ? C10 C11 C12 119.4(3) . . ? C13 C12 C11 119.5(3) . . ? C13 C12 H12 120.3 . . ? C11 C12 H12 120.3 . . ? C12 C13 C8 121.7(3) . . ? C12 C13 H13 119.1 . . ? C8 C13 H13 119.1 . . ? O1 C14 H14A 109.5 . . ? O1 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O1 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C16 C15 C20 119.0(3) . . ? C16 C15 N4 121.4(3) . . ? C20 C15 N4 119.6(3) . . ? C15 C16 C17 119.6(3) . . ? C15 C16 H16 120.2 . . ? C17 C16 H16 120.2 . . ? C18 C17 C16 121.0(4) . . ? C18 C17 H17 119.5 . . ? C16 C17 H17 119.5 . . ? C19 C18 C17 119.4(4) . . ? C19 C18 H18 120.3 . . ? C17 C18 H18 120.3 . . ? C18 C19 C20 120.6(4) . . ? C18 C19 H19 119.7 . . ? C20 C19 H19 119.7 . . ? C19 C20 C15 120.4(3) . . ? C19 C20 H20 119.8 . . ? C15 C20 H20 119.8 . . ? C22 C21 C26 119.4(3) . . ? C22 C21 N5 120.5(3) . . ? C26 C21 N5 120.1(3) . . ? C21 C22 C23 119.8(3) . . ? C21 C22 H22 120.1 . . ? C23 C22 H22 120.1 . . ? C22 C23 C24 121.0(3) . . ? C22 C23 H23 119.5 . . ? C24 C23 H23 119.5 . . ? C25 C24 C23 119.1(3) . . ? C25 C24 H24 120.4 . . ? C23 C24 H24 120.4 . . ? C24 C25 C26 120.5(3) . . ? C24 C25 H25 119.7 . . ? C26 C25 H25 119.7 . . ? C21 C26 C25 120.2(3) . . ? C21 C26 H26 119.9 . . ? C25 C26 H26 119.9 . . ? N6 C27 N7 129.7(3) . . ? N6 C27 C28 115.1(2) . . ? N7 C27 C28 115.2(2) . . ? C29 C28 C33 116.8(3) . . ? C29 C28 C27 121.3(3) . . ? C33 C28 C27 121.9(3) . . ? C30 C29 C28 121.2(3) . . ? C30 C29 H29 119.4 . . ? C28 C29 H29 119.4 . . ? C31 C30 C29 121.2(3) . . ? C31 C30 H30 119.4 . . ? C29 C30 H30 119.4 . . ? C30 C31 C32 119.2(3) . . ? C30 C31 O2 116.0(3) . . ? C32 C31 O2 124.8(3) . . ? C31 C32 C33 119.8(3) . . ? C31 C32 H32 120.1 . . ? C33 C32 H32 120.1 . . ? C32 C33 C28 121.8(3) . . ? C32 C33 H33 119.1 . . ? C28 C33 H33 119.1 . . ? O2 C34 H34A 109.5 . . ? O2 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O2 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C36 C35 C40 120.0 . . ? C36 C35 N8 117.3(10) . . ? C40 C35 N8 122.7(10) . . ? C35 C36 C37 120.0 . . ? C35 C36 H36 120.0 . . ? C37 C36 H36 120.0 . . ? C38 C37 C36 120.0 . . ? C38 C37 H37 120.0 . . ? C36 C37 H37 120.0 . . ? C37 C38 C39 120.0 . . ? C37 C38 H38 120.0 . . ? C39 C38 H38 120.0 . . ? C40 C39 C38 120.0 . . ? C40 C39 H39 120.0 . . ? C38 C39 H39 120.0 . . ? C39 C40 C35 120.0 . . ? C39 C40 H40 120.0 . . ? C35 C40 H40 120.0 . . ? C36' C35' C40' 120.0 . . ? C36' C35' N8 122.8(10) . . ? C40' C35' N8 117.0(10) . . ? C35' C36' C37' 120.0 . . ? C35' C36' H36' 120.0 . . ? C37' C36' H36' 120.0 . . ? C38' C37' C36' 120.0 . . ? C38' C37' H37' 120.0 . . ? C36' C37' H37' 120.0 . . ? C37' C38' C39' 120.0 . . ? C37' C38' H38' 120.0 . . ? C39' C38' H38' 120.0 . . ? C38' C39' C40' 120.0 . . ? C38' C39' H39' 120.0 . . ? C40' C39' H39' 120.0 . . ? C39' C40' C35' 120.0 . . ? C39' C40' H40' 120.0 . . ? C35' C40' H40' 120.0 . . ? C36" C35" C40" 120.0 . . ? C36" C35" N8 119.8(8) . . ? C40" C35" N8 120.0(8) . . ? C35" C36" C37" 120.0 . . ? C35" C36" H36" 120.0 . . ? C37" C36" H36" 120.0 . . ? C36" C37" C38" 120.0 . . ? C36" C37" H37" 120.0 . . ? C38" C37" H37" 120.0 . . ? C37" C38" C39" 120.0 . . ? C37" C38" H38" 120.0 . . ? C39" C38" H38" 120.0 . . ? C40" C39" C38" 120.0 . . ? C40" C39" H39" 120.0 . . ? C38" C39" H39" 120.0 . . ? C39" C40" C35" 120.0 . . ? C39" C40" H40" 120.0 . . ? C35" C40" H40" 120.0 . . ? _refine_diff_density_max 0.267 _refine_diff_density_min -0.312 _refine_diff_density_rms 0.055 _shelx_res_file ; TITL mo_molan508e_375K_0m_a.res in P2(1)/n mo_molan508e_375k_0m_a_sq.res created by SHELXL-2018/1 at 14:48:25 on 22-Oct-2018 REM Old TITL mo_molan508e_375K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.221, Rweak 0.010, Alpha 0.049, Orientation as input REM Formula found by SHELXT: C41 N7 O3 Fe CELL 0.71073 13.3240 16.1193 17.9981 90.000 100.213 90.000 ZERR 4.000 0.0057 0.0081 0.0086 0.000 0.019 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C N O FE H UNIT 160 32 8 4 136 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP 101.880 SIZE 0.080 0.360 0.620 L.S. 5 0 24 BOND $H dfix 1.44 0.01 N8 C35 N8 C35' N8 C35" rigu 0.002 C35 > C40 rigu 0.002 C35' > C40' rigu 0.002 C35" > C40" sump 1 0.0001 1 2 1 3 1 4 isor 0.005 C38 c35 C35' C35" PLAN 5 ACTA ABIN WGHT 0.057000 2.814200 FVAR 0.20455 0.34175 0.29406 0.36420 FE1 4 0.664502 0.275825 0.449428 11.00000 0.03989 0.05549 = 0.05802 -0.00327 0.02087 -0.00361 O1 3 1.226906 0.255724 0.253091 11.00000 0.04549 0.11220 = 0.07593 0.01124 0.02781 0.00640 O2 3 0.107582 0.251984 0.655815 11.00000 0.05645 0.12309 = 0.10722 -0.02774 0.04761 -0.01516 N1 2 0.713596 0.334256 0.371299 11.00000 0.03413 0.04318 = 0.07294 -0.00466 0.01245 -0.00237 N2 2 0.797304 0.318649 0.344326 11.00000 0.04138 0.04898 = 0.06004 -0.00107 0.01347 0.00051 N3 2 0.861931 0.208484 0.434052 11.00000 0.04049 0.05348 = 0.05817 0.00289 0.01571 0.00055 N4 2 0.780175 0.205952 0.465909 11.00000 0.04920 0.04860 = 0.04658 0.00082 0.01651 -0.00580 N5 2 0.551812 0.204268 0.438638 11.00000 0.04935 0.04500 = 0.04878 -0.00080 0.02210 -0.00123 N6 2 0.471355 0.205889 0.472147 11.00000 0.04108 0.05455 = 0.04472 -0.00135 0.01521 -0.00347 N7 2 0.527521 0.326622 0.550060 11.00000 0.04059 0.05361 = 0.05183 -0.00547 0.01452 -0.00410 N8 2 0.609413 0.339910 0.519445 11.00000 0.04067 0.04882 = 0.05878 -0.00168 0.01222 -0.00569 C1 1 0.654326 0.399215 0.328888 11.00000 0.04380 0.04167 = 0.07416 -0.00815 0.00317 0.00076 C2 1 0.552995 0.410248 0.334777 11.00000 0.04948 0.08172 = 0.08184 0.00493 0.00702 0.00915 AFIX 43 H2 5 0.523005 0.374530 0.365035 11.00000 -1.20000 AFIX 0 C3 1 0.495441 0.473646 0.296330 11.00000 0.05822 0.09724 = 0.10251 -0.00144 0.00738 0.02536 AFIX 43 H3 5 0.427614 0.480024 0.301404 11.00000 -1.20000 AFIX 0 C4 1 0.537252 0.527076 0.250912 11.00000 0.07611 0.06061 = 0.11755 0.00350 -0.00724 0.01632 AFIX 43 H4 5 0.499104 0.570326 0.225977 11.00000 -1.20000 AFIX 0 C5 1 0.636932 0.515008 0.243240 11.00000 0.07676 0.06659 = 0.13046 0.02389 0.00336 -0.00407 AFIX 43 H5 5 0.665918 0.549695 0.211562 11.00000 -1.20000 AFIX 0 C6 1 0.694955 0.452312 0.281693 11.00000 0.05372 0.05838 = 0.12395 0.01596 0.01031 -0.00494 AFIX 43 H6 5 0.762415 0.445729 0.275730 11.00000 -1.20000 AFIX 0 C7 1 0.865183 0.262557 0.377125 11.00000 0.03832 0.04900 = 0.04575 -0.00066 0.00997 -0.00352 C8 1 0.961045 0.257812 0.344963 11.00000 0.04160 0.04286 = 0.04987 0.00192 0.01195 0.00120 C9 1 0.961502 0.276162 0.269653 11.00000 0.03949 0.06163 = 0.05138 0.00388 0.00680 0.00352 AFIX 43 H9 5 0.900816 0.290539 0.238250 11.00000 -1.20000 AFIX 0 C10 1 1.050554 0.273387 0.240740 11.00000 0.05319 0.06749 = 0.04597 0.00485 0.01521 0.00295 AFIX 43 H10 5 1.049163 0.285151 0.189982 11.00000 -1.20000 AFIX 0 C11 1 1.142621 0.253113 0.286898 11.00000 0.03804 0.05437 = 0.05839 -0.00018 0.01489 -0.00200 C12 1 1.143781 0.233869 0.362548 11.00000 0.04016 0.06456 = 0.06125 0.00930 0.00800 0.00400 AFIX 43 H12 5 1.204642 0.219780 0.393873 11.00000 -1.20000 AFIX 0 C13 1 1.054146 0.235883 0.390517 11.00000 0.04997 0.06952 = 0.05125 0.01388 0.01253 0.00753 AFIX 43 H13 5 1.055208 0.222378 0.440887 11.00000 -1.20000 AFIX 0 C14 1 1.323473 0.238391 0.298338 11.00000 0.03766 0.16488 = 0.11385 0.01503 0.02205 0.00807 AFIX 137 H14A 5 1.375831 0.243685 0.268232 11.00000 -1.50000 H14B 5 1.323557 0.182886 0.317684 11.00000 -1.50000 H14C 5 1.336174 0.276909 0.339620 11.00000 -1.50000 AFIX 0 C15 1 0.784910 0.137120 0.517891 11.00000 0.04952 0.04767 = 0.05015 0.00067 0.00988 -0.00764 C16 1 0.831175 0.063151 0.504779 11.00000 0.10393 0.05440 = 0.06869 0.00238 0.03522 0.00283 AFIX 43 H16 5 0.860776 0.056832 0.462050 11.00000 -1.20000 AFIX 0 C17 1 0.833189 -0.001667 0.555791 11.00000 0.12652 0.05146 = 0.09738 0.00482 0.03144 0.00644 AFIX 43 H17 5 0.864535 -0.051364 0.546969 11.00000 -1.20000 AFIX 0 C18 1 0.789597 0.006429 0.619127 11.00000 0.10280 0.06478 = 0.07704 0.02223 0.01948 -0.01139 AFIX 43 H18 5 0.790773 -0.037605 0.652658 11.00000 -1.20000 AFIX 0 C19 1 0.744680 0.079524 0.632313 11.00000 0.09393 0.08504 = 0.06618 0.01622 0.03227 -0.00052 AFIX 43 H19 5 0.715506 0.085439 0.675283 11.00000 -1.20000 AFIX 0 C20 1 0.742016 0.145038 0.582447 11.00000 0.06824 0.06426 = 0.06103 0.00996 0.02237 0.00634 AFIX 43 H20 5 0.711311 0.194719 0.592190 11.00000 -1.20000 AFIX 0 C21 1 0.550085 0.134313 0.388774 11.00000 0.04376 0.04475 = 0.04924 -0.00098 0.01590 -0.00145 C22 1 0.517087 0.057799 0.408954 11.00000 0.09334 0.05399 = 0.06839 -0.00121 0.03472 -0.00796 AFIX 43 H22 5 0.493748 0.051459 0.454353 11.00000 -1.20000 AFIX 0 C23 1 0.518810 -0.009492 0.361458 11.00000 0.10358 0.04527 = 0.10391 -0.00207 0.03670 -0.00986 AFIX 43 H23 5 0.498219 -0.061274 0.375906 11.00000 -1.20000 AFIX 0 C24 1 0.550729 -0.000846 0.292772 11.00000 0.07727 0.05492 = 0.10974 -0.03199 0.03646 -0.00985 AFIX 43 H24 5 0.550393 -0.046142 0.260723 11.00000 -1.20000 AFIX 0 C25 1 0.582774 0.075175 0.272639 11.00000 0.08449 0.07935 = 0.08151 -0.02496 0.04816 -0.01417 AFIX 43 H25 5 0.604842 0.081498 0.226757 11.00000 -1.20000 AFIX 0 C26 1 0.582611 0.143122 0.320271 11.00000 0.06369 0.05255 = 0.06668 -0.00911 0.03264 -0.01205 AFIX 43 H26 5 0.604410 0.194612 0.306067 11.00000 -1.20000 AFIX 0 C27 1 0.463354 0.264268 0.524156 11.00000 0.03678 0.05153 = 0.03909 -0.00063 0.00850 0.00021 C28 1 0.370263 0.258524 0.558882 11.00000 0.03889 0.05291 = 0.04162 -0.00258 0.00787 -0.00060 C29 1 0.339246 0.324308 0.599090 11.00000 0.05258 0.05933 = 0.08427 -0.01229 0.02810 -0.00872 AFIX 43 H29 5 0.378058 0.372583 0.605251 11.00000 -1.20000 AFIX 0 C30 1 0.251832 0.319407 0.630112 11.00000 0.05931 0.07392 = 0.09587 -0.02421 0.03463 0.00099 AFIX 43 H30 5 0.232514 0.364617 0.656427 11.00000 -1.20000 AFIX 0 C31 1 0.193219 0.249432 0.622881 11.00000 0.03822 0.08288 = 0.06199 -0.00859 0.01921 -0.00484 C32 1 0.223337 0.182038 0.585535 11.00000 0.05158 0.07151 = 0.06874 -0.00686 0.02259 -0.01683 AFIX 43 H32 5 0.185330 0.133343 0.581630 11.00000 -1.20000 AFIX 0 C33 1 0.310844 0.186923 0.553610 11.00000 0.05478 0.06032 = 0.05977 -0.01122 0.02008 -0.00786 AFIX 43 H33 5 0.330238 0.141156 0.528045 11.00000 -1.20000 AFIX 0 C34 1 0.030924 0.191820 0.634887 11.00000 0.05018 0.14043 = 0.09568 -0.00108 0.02355 -0.02036 AFIX 137 H34A 5 0.011514 0.190893 0.580916 11.00000 -1.50000 H34B 5 -0.027353 0.205351 0.657161 11.00000 -1.50000 H34C 5 0.056434 0.138264 0.652341 11.00000 -1.50000 AFIX 66 PART 1 21.00 C35 1 0.670824 0.405571 0.562015 21.00000 0.03192 0.03935 = 0.05096 -0.00544 0.01181 -0.00536 C36 1 0.665296 0.484308 0.530056 21.00000 0.08557 0.04120 = 0.06451 -0.00367 0.01647 0.00282 AFIX 43 H36 5 0.622138 0.494086 0.484333 21.00000 -1.20000 AFIX 65 C37 1 0.724271 0.548431 0.566436 21.00000 0.07048 0.03434 = 0.08188 -0.00586 0.03414 0.00153 AFIX 43 H37 5 0.720571 0.601111 0.545053 21.00000 -1.20000 AFIX 65 C38 1 0.788775 0.533818 0.634774 21.00000 0.08847 0.08713 = 0.09086 -0.00417 0.01601 -0.00602 AFIX 43 H38 5 0.828233 0.576720 0.659114 21.00000 -1.20000 AFIX 65 C39 1 0.794305 0.455081 0.666733 21.00000 0.06744 0.09192 = 0.07779 -0.00208 -0.00509 -0.01704 AFIX 43 H39 5 0.837462 0.445304 0.712456 21.00000 -1.20000 AFIX 65 C40 1 0.735330 0.390957 0.630355 21.00000 0.03228 0.07532 = 0.06295 0.00242 0.00760 0.00213 AFIX 43 H40 5 0.739030 0.338277 0.651738 21.00000 -1.20000 AFIX 66 PART 2 31.000 C35' 1 0.669422 0.408920 0.557714 31.00000 0.04945 0.05417 = 0.06280 -0.00023 0.01156 -0.00761 C36' 1 0.695703 0.478284 0.519469 31.00000 0.07974 0.06322 = 0.05903 0.00152 0.01235 -0.01990 AFIX 43 H36' 5 0.670445 0.484540 0.468195 31.00000 -1.20000 AFIX 65 C37' 1 0.759735 0.538299 0.557857 31.00000 0.07777 0.06626 = 0.09564 -0.02195 0.01940 -0.01305 AFIX 43 H37' 5 0.777319 0.584709 0.532268 31.00000 -1.20000 AFIX 65 C38' 1 0.797487 0.528950 0.634491 31.00000 0.08529 0.06229 = 0.09683 -0.03935 0.00572 -0.03524 AFIX 43 H38' 5 0.840329 0.569105 0.660175 31.00000 -1.20000 AFIX 65 C39' 1 0.771207 0.459586 0.672738 31.00000 0.05459 0.06716 = 0.08480 -0.02893 0.01595 -0.00316 AFIX 43 H39' 5 0.796465 0.453332 0.724011 31.00000 -1.20000 AFIX 65 C40' 1 0.707175 0.399571 0.634350 31.00000 0.04373 0.04949 = 0.06652 -0.00131 0.01008 0.00074 AFIX 43 H40' 5 0.689591 0.353161 0.659940 31.00000 -1.20000 AFIX 66 PART 3 41.000 C35" 1 0.669995 0.406987 0.552872 41.00000 0.05563 0.05940 = 0.06745 -0.00602 0.01737 -0.00514 C36" 1 0.633392 0.487675 0.542498 41.00000 0.09125 0.06731 = 0.11444 -0.01932 0.00547 0.01461 AFIX 43 H36" 5 0.571748 0.497948 0.510567 41.00000 -1.20000 AFIX 65 C37" 1 0.688923 0.553011 0.579847 41.00000 0.10204 0.05753 = 0.11804 -0.01980 0.03972 -0.00046 AFIX 43 H37" 5 0.664432 0.606996 0.572906 41.00000 -1.20000 AFIX 65 C38" 1 0.781057 0.537658 0.627571 41.00000 0.10034 0.05303 = 0.14474 -0.02114 0.01656 -0.04072 AFIX 43 H38" 5 0.818210 0.581372 0.652560 41.00000 -1.20000 AFIX 65 C39" 1 0.817660 0.456970 0.637946 41.00000 0.10320 0.06931 = 0.19030 -0.02192 -0.05082 -0.02482 AFIX 43 H39" 5 0.879304 0.446698 0.669876 41.00000 -1.20000 AFIX 65 C40" 1 0.762131 0.391634 0.600597 41.00000 0.07222 0.04416 = 0.12916 -0.00939 -0.01421 -0.01342 AFIX 43 H40" 5 0.786621 0.337648 0.607538 41.00000 -1.20000 part 0 AFIX 0 HKLF 4 REM mo_molan508e_375K_0m_a.res in P2(1)/n REM R1 = 0.0542 for 4846 Fo > 4sig(Fo) and 0.1113 for all 8277 data REM 537 parameters refined using 136 restraints END WGHT 0.0570 2.8142 REM Highest difference peak 0.267, deepest hole -0.312, 1-sigma level 0.055 Q1 1 0.7842 0.4150 0.5109 11.00000 0.05 0.27 Q2 1 0.6632 0.1503 0.3357 11.00000 0.05 0.26 Q3 1 0.3340 0.3774 0.5654 11.00000 0.05 0.25 Q4 1 1.0736 0.2641 0.4635 11.00000 0.05 0.23 Q5 1 0.5833 0.2784 0.4909 11.00000 0.05 0.23 ; _shelx_res_checksum 34381 _shelx_hkl_file ; 2 0 0 270.77 5.70 -2 0 0 251.87 5.70 -2 0 0 259.17 5.70 3 0 0 -0.60 0.20 3 0 0 -0.70 0.20 -3 0 0 -0.80 0.20 4 0 0 321.17 7.10 -4 0 0 325.87 7.20 4 0 0 325.57 7.10 -4 0 0 319.37 7.20 5 0 0 0.10 0.30 -5 0 0 -0.40 0.30 -5 0 0 0.10 0.40 5 0 0 -0.40 0.30 -6 0 0 477.75 10.80 -6 0 0 477.25 10.80 6 0 0 512.25 10.70 6 0 0 479.05 10.70 -7 0 0 0.70 0.50 -7 0 0 0.30 0.50 7 0 0 0.30 0.40 7 0 0 0.50 0.50 8 0 0 60.59 1.80 -8 0 0 56.69 2.10 8 0 0 58.59 1.80 -8 0 0 62.19 2.20 -9 0 0 0.00 0.80 9 0 0 -0.30 0.50 -9 0 0 0.80 0.70 9 0 0 0.70 0.50 9 0 0 0.70 0.50 10 0 0 137.99 3.50 10 0 0 146.19 3.50 -10 0 0 139.99 4.10 -10 0 0 144.69 4.20 11 0 0 -0.20 0.40 -11 0 0 1.20 1.10 11 0 0 0.10 0.40 -11 0 0 0.50 0.90 -12 0 0 10.70 1.30 -12 0 0 9.00 1.40 -13 0 0 -2.80 1.10 -14 0 0 2.50 1.50 -14 0 0 1.70 1.50 -15 0 0 -2.20 1.60 -15 0 0 -2.40 1.60 -16 0 0 13.60 2.20 -16 0 0 12.50 2.20 -2 -1 0 767.32 16.70 -2 -1 0 729.23 16.60 2 -1 0 857.81 16.80 2 1 0 783.72 16.90 2 1 0 720.03 16.60 -2 1 0 766.42 17.00 -2 1 0 802.82 16.90 -3 -1 0 1342.07 29.10 3 -1 0 1345.37 28.80 -3 -1 0 1245.98 28.60 3 -1 0 1424.56 28.90 3 1 0 1306.17 28.70 -3 1 0 1350.16 28.90 -3 1 0 1393.36 29.00 3 1 0 1258.27 28.80 4 -1 0 6.90 0.50 4 -1 0 5.80 0.50 -4 -1 0 6.60 0.70 -4 -1 0 6.20 0.70 4 1 0 7.80 0.60 -4 1 0 8.90 0.60 4 1 0 6.40 0.60 -4 1 0 7.90 0.60 5 -1 0 76.29 2.00 -5 -1 0 78.39 2.20 -5 -1 0 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9.10 1.30 8 7 0 8.70 1.30 -8 7 0 7.90 1.00 8 7 0 7.80 1.20 -8 7 0 10.60 1.30 -9 -7 0 71.69 3.30 -9 -7 0 75.59 3.40 9 7 0 67.19 2.90 -9 7 0 70.49 2.70 -9 7 0 70.89 2.60 9 7 0 72.69 2.90 -10 -7 0 37.80 3.00 -10 -7 0 34.50 3.00 10 7 0 36.60 2.40 -10 7 0 32.20 2.20 10 7 0 36.30 2.50 -10 7 0 32.60 2.10 -11 -7 0 -0.30 1.40 -11 -7 0 -0.10 1.40 11 7 0 0.50 1.20 -11 7 0 1.80 1.00 11 7 0 2.10 1.20 -11 7 0 0.70 1.00 -12 -7 0 1.00 1.60 -12 -7 0 3.50 1.80 -12 7 0 3.20 1.20 12 7 0 2.60 1.30 12 7 0 5.90 1.30 -12 7 0 4.60 1.10 -13 -7 0 13.00 2.10 -13 -7 0 14.40 2.30 13 7 0 12.60 1.60 -13 7 0 10.60 1.60 13 7 0 12.30 1.60 -13 7 0 11.40 1.50 -14 -7 0 7.20 2.20 -14 -7 0 3.00 2.20 14 7 0 2.40 1.40 14 7 0 3.20 1.60 -14 7 0 -0.90 1.40 -14 7 0 4.00 1.40 -15 -7 0 1.80 2.30 -15 -7 0 0.80 2.50 -15 7 0 0.30 1.60 15 7 0 1.40 1.70 -15 7 0 -0.30 1.60 15 7 0 5.30 1.40 0 -8 0 55.19 2.00 0 -8 0 53.69 2.10 0 8 0 54.79 2.20 0 8 0 50.29 2.00 -1 -8 0 98.29 3.10 -1 -8 0 100.79 3.00 1 -8 0 101.19 2.90 -1 8 0 95.39 2.90 1 8 0 98.79 3.20 1 8 0 97.19 3.00 -1 8 0 102.59 3.10 2 -8 0 7.00 0.80 -2 -8 0 6.50 0.90 2 -8 0 6.30 0.70 -2 -8 0 7.10 1.00 -2 8 0 8.10 1.00 2 8 0 8.30 1.00 -2 8 0 8.70 1.20 2 8 0 8.20 0.90 -3 -8 0 1.90 0.90 3 -8 0 3.60 0.60 -3 -8 0 3.10 0.90 3 -8 0 2.10 0.60 -3 8 0 2.00 0.70 3 8 0 3.70 0.90 3 8 0 2.80 0.90 -3 8 0 2.70 0.70 4 -8 0 112.39 3.00 4 -8 0 110.99 2.90 -4 -8 0 111.79 3.50 -4 -8 0 112.59 3.60 4 8 0 107.59 3.40 -4 8 0 112.89 3.20 4 8 0 103.59 3.50 -5 -8 0 61.29 2.70 -5 -8 0 61.89 2.60 5 -8 0 58.89 1.80 5 -8 0 59.89 1.90 5 8 0 60.89 2.50 5 8 0 61.99 2.50 -5 8 0 62.09 2.10 -5 8 0 61.99 2.30 -6 -8 0 0.90 1.00 6 -8 0 2.00 0.40 6 -8 0 2.30 0.50 -6 -8 0 1.40 1.00 -6 8 0 2.00 0.80 6 8 0 2.10 0.90 -6 8 0 1.30 0.70 6 8 0 2.20 0.90 7 -8 0 91.79 2.30 -7 -8 0 95.59 3.60 -7 -8 0 100.79 3.60 -7 8 0 96.19 3.00 7 8 0 98.19 3.40 7 8 0 98.59 3.40 -7 8 0 95.89 3.10 -8 -8 0 -0.30 1.20 -8 -8 0 2.00 1.30 -8 8 0 0.50 0.80 8 8 0 -0.60 1.00 -8 8 0 -0.10 0.80 8 8 0 0.90 1.00 -9 -8 0 14.20 1.80 -9 -8 0 13.80 1.80 9 8 0 16.70 2.20 -9 8 0 14.20 1.80 9 8 0 13.80 1.50 -9 8 0 14.00 1.70 -10 -8 0 22.00 2.90 -10 -8 0 13.80 2.00 10 8 0 19.90 2.30 -10 8 0 20.80 2.00 -10 8 0 18.30 2.00 10 8 0 18.90 2.40 -11 -8 0 49.00 3.50 -11 8 0 45.30 2.60 11 8 0 42.70 2.80 11 8 0 50.09 2.90 -11 8 0 47.30 2.50 -12 -8 0 -1.60 1.60 -12 -8 0 -0.50 1.70 -12 8 0 0.20 1.10 -12 8 0 0.40 1.50 12 8 0 1.50 1.30 12 8 0 1.60 2.00 -13 -8 0 16.20 2.40 -13 -8 0 13.90 2.30 -13 8 0 18.10 2.50 -13 8 0 10.20 1.70 13 8 0 12.10 1.70 -14 -8 0 1.80 2.20 -14 -8 0 0.70 2.20 -14 8 0 -0.70 1.50 14 8 0 -1.40 1.50 -14 8 0 0.20 1.40 14 8 0 0.20 2.40 -15 -8 0 1.20 2.80 -15 -8 0 0.80 2.60 -15 8 0 2.80 1.60 15 8 0 4.40 1.60 -15 8 0 0.20 1.80 0 -9 0 -0.10 0.70 0 -9 0 -0.90 0.70 0 9 0 0.70 0.80 0 9 0 -0.10 0.70 -1 -9 0 6.00 0.90 1 -9 0 5.90 0.80 -1 -9 0 5.70 1.00 -1 9 0 8.60 1.00 1 9 0 4.60 0.90 -1 9 0 6.00 1.00 1 9 0 4.90 1.00 -2 -9 0 6.70 1.00 2 -9 0 10.60 1.30 -2 -9 0 8.20 1.10 2 -9 0 7.80 0.90 -2 9 0 8.20 0.90 2 9 0 9.50 1.20 -2 9 0 12.10 1.50 2 9 0 9.00 1.10 3 -9 0 259.77 6.30 3 -9 0 270.67 6.30 -3 -9 0 261.17 6.80 -3 -9 0 262.77 6.70 3 9 0 263.97 6.70 -3 9 0 261.47 6.60 -3 9 0 264.17 6.50 3 9 0 257.27 6.70 -4 -9 0 63.99 2.70 4 -9 0 61.59 2.10 -4 -9 0 63.89 2.80 4 -9 0 63.09 2.10 -4 9 0 62.19 2.30 4 9 0 64.39 2.70 4 9 0 60.79 2.60 -4 9 0 59.39 2.50 -5 -9 0 14.90 2.00 -5 -9 0 20.00 2.00 5 -9 0 16.50 1.10 5 -9 0 14.80 1.20 5 9 0 13.40 1.80 -5 9 0 16.00 1.50 5 9 0 18.00 1.90 -6 -9 0 0.70 1.00 6 -9 0 1.40 0.50 6 -9 0 0.40 0.50 -6 -9 0 2.30 1.20 -6 9 0 0.90 0.80 6 9 0 3.10 1.10 6 9 0 0.00 0.90 -6 9 0 1.20 0.80 7 -9 0 41.00 1.30 7 -9 0 36.70 1.30 -7 -9 0 46.90 2.80 -7 -9 0 45.30 2.80 7 9 0 44.30 2.50 7 9 0 44.90 2.50 -7 9 0 40.80 2.00 -7 9 0 43.60 2.20 -8 -9 0 13.20 1.70 -8 -9 0 11.90 1.70 8 9 0 12.70 1.50 -8 9 0 13.40 1.60 8 9 0 12.50 1.40 -8 9 0 10.80 1.20 -9 -9 0 25.80 2.80 -9 -9 0 23.80 2.70 9 9 0 24.70 2.40 -9 9 0 20.00 1.90 9 9 0 24.90 2.50 -9 9 0 24.30 2.10 -10 -9 0 0.90 2.10 -10 -9 0 6.40 1.70 10 9 0 4.60 1.40 -10 9 0 2.80 1.10 -10 9 0 2.70 1.10 -11 -9 0 3.40 1.80 -11 -9 0 3.60 1.80 11 9 0 7.30 1.50 -11 9 0 5.70 1.20 11 9 0 5.70 1.50 -11 9 0 6.20 1.30 -12 -9 0 2.60 1.80 -12 -9 0 4.40 2.00 12 9 0 2.60 1.50 -12 9 0 -0.10 1.20 12 9 0 1.30 1.50 -12 9 0 -0.60 1.30 -13 -9 0 13.80 2.60 -13 -9 0 8.60 2.20 -13 9 0 9.50 1.70 -13 9 0 12.90 1.60 13 9 0 10.60 1.80 13 9 0 14.70 1.90 -14 -9 0 1.40 2.60 -14 -9 0 0.40 2.20 -14 9 0 -0.70 2.20 14 9 0 0.70 1.60 -14 9 0 1.40 1.70 14 9 0 1.80 1.80 -15 -9 0 -0.10 2.90 15 9 0 0.90 1.70 -15 9 0 1.30 1.90 -15 9 0 -2.00 1.70 15 9 0 -0.90 2.00 0 -10 0 17.20 1.60 0 -10 0 15.40 1.70 0 10 0 14.40 1.60 0 10 0 15.00 1.80 1 -10 0 9.50 1.10 -1 -10 0 9.10 1.20 -1 -10 0 8.20 1.10 -1 10 0 7.00 1.10 1 10 0 9.70 1.30 1 10 0 7.60 1.10 -1 10 0 9.90 1.10 2 -10 0 1.30 0.70 2 -10 0 1.00 0.70 -2 -10 0 0.20 0.90 -2 -10 0 -0.70 0.90 2 10 0 -0.10 1.00 -2 10 0 -0.30 0.70 2 10 0 -1.50 0.80 -2 10 0 0.70 0.90 3 -10 0 0.30 0.70 -3 -10 0 -0.40 0.90 3 -10 0 1.30 0.70 -3 -10 0 1.70 1.00 -3 10 0 -0.10 0.90 3 10 0 0.40 0.90 -3 10 0 -0.10 0.80 3 10 0 0.00 1.00 -4 -10 0 2.60 1.10 -4 -10 0 -0.40 1.00 4 -10 0 1.90 0.70 4 -10 0 1.50 0.70 4 10 0 1.10 1.10 -4 10 0 0.70 0.90 -4 10 0 0.80 0.80 4 10 0 0.00 1.00 -5 -10 0 122.89 4.20 5 -10 0 116.49 3.20 -5 -10 0 122.19 4.10 5 -10 0 112.89 3.30 -5 10 0 118.49 3.60 -5 10 0 115.09 3.80 5 10 0 118.69 3.90 5 10 0 120.39 4.00 6 -10 0 10.90 1.20 6 -10 0 10.50 1.00 -6 -10 0 10.80 1.50 -6 -10 0 8.40 1.40 6 10 0 8.90 1.40 6 10 0 12.60 1.50 -6 10 0 9.80 1.10 -7 -10 0 18.30 2.40 -7 -10 0 13.90 1.70 7 -10 0 13.40 1.00 7 -10 0 17.50 0.90 -7 10 0 17.00 2.00 7 10 0 16.00 2.20 7 10 0 16.80 2.20 -7 10 0 18.00 1.70 -8 -10 0 1.30 1.40 -8 -10 0 2.10 1.40 -8 10 0 1.20 0.90 -8 10 0 0.90 1.00 8 10 0 0.20 1.10 -9 -10 0 4.40 1.80 -9 -10 0 3.00 1.50 9 10 0 1.50 1.40 9 10 0 2.60 1.40 -9 10 0 1.90 1.20 -9 10 0 2.40 1.10 -10 -10 0 4.50 1.80 -10 -10 0 4.10 1.80 -10 10 0 5.40 1.30 -10 10 0 3.00 1.10 10 10 0 2.30 1.40 10 10 0 3.20 1.50 -11 -10 0 46.80 3.90 -11 -10 0 56.39 4.10 11 10 0 44.80 3.20 -11 10 0 51.29 2.80 11 10 0 51.69 3.40 -11 10 0 45.40 5.10 -12 -10 0 2.10 2.10 -12 -10 0 2.40 2.20 -12 10 0 2.10 1.30 -12 10 0 2.10 1.50 12 10 0 0.40 1.60 12 10 0 0.40 1.60 -13 -10 0 10.90 2.50 -13 -10 0 11.80 2.50 -13 10 0 13.50 2.00 13 10 0 10.30 3.20 -13 10 0 11.50 1.70 -14 -10 0 1.60 2.50 -14 -10 0 1.50 2.70 14 10 0 1.40 2.80 -14 10 0 3.20 1.50 -14 10 0 5.30 1.90 0 -11 0 0.10 0.90 0 -11 0 -1.90 0.80 0 11 0 -0.60 1.10 0 11 0 -2.20 0.90 1 -11 0 2.30 0.90 -1 -11 0 1.50 1.00 -1 -11 0 3.00 1.00 1 11 0 0.60 1.00 -1 11 0 2.30 1.00 1 11 0 1.00 1.20 -1 11 0 0.90 0.90 2 -11 0 5.50 1.00 -2 -11 0 6.00 1.30 2 -11 0 4.70 0.90 -2 -11 0 5.40 1.20 2 11 0 4.30 1.20 2 11 0 4.70 1.10 -2 11 0 5.20 1.00 -2 11 0 5.10 1.20 3 -11 0 55.39 2.20 -3 -11 0 53.49 2.80 3 -11 0 52.69 2.30 -3 -11 0 47.80 2.70 -3 11 0 51.09 2.40 3 11 0 47.70 2.80 3 11 0 47.30 2.50 -3 11 0 49.70 2.70 4 -11 0 3.40 0.80 -4 -11 0 3.20 1.30 -4 -11 0 3.30 1.30 4 -11 0 4.00 0.90 -4 11 0 4.60 1.00 4 11 0 2.00 1.20 -4 11 0 3.80 1.10 4 11 0 2.00 1.20 -5 -11 0 5.30 1.40 5 -11 0 3.90 0.80 5 -11 0 4.00 0.70 -5 -11 0 3.40 1.30 5 11 0 6.00 1.40 5 11 0 4.90 1.20 -5 11 0 3.70 1.00 -5 11 0 3.00 1.10 -6 -11 0 1.40 1.30 -6 -11 0 2.40 1.40 6 -11 0 1.70 0.70 6 -11 0 2.20 0.60 6 11 0 1.60 1.20 -6 11 0 1.50 0.90 6 11 0 1.70 2.10 -6 11 0 2.60 1.10 7 -11 0 4.10 0.70 -7 -11 0 5.70 1.50 -7 -11 0 0.50 1.20 7 -11 0 4.60 0.60 7 11 0 5.50 1.40 -7 11 0 4.20 1.00 7 11 0 4.80 1.30 -8 -11 0 11.80 2.00 8 11 0 15.20 1.80 -8 11 0 13.60 1.40 8 11 0 14.20 1.70 -8 11 0 14.70 1.60 -9 -11 0 6.60 1.70 -9 -11 0 4.70 1.90 -9 11 0 6.50 1.30 9 11 0 5.60 1.50 -9 11 0 5.50 1.30 9 11 0 5.20 1.50 -10 -11 0 12.80 2.30 -10 -11 0 12.70 2.20 10 11 0 10.80 1.80 -10 11 0 9.00 1.40 -11 -11 0 7.60 2.40 -11 -11 0 9.60 2.10 -11 11 0 8.10 1.50 -11 11 0 8.80 1.70 11 11 0 6.50 2.50 -12 -11 0 0.80 2.30 -12 -11 0 -3.00 2.10 -12 11 0 1.50 1.60 12 11 0 2.40 1.80 -12 11 0 -1.50 1.30 -13 -11 0 0.90 2.60 -13 -11 0 1.10 2.30 13 11 0 -3.50 1.80 -13 11 0 -0.80 1.80 -14 -11 0 0.00 2.70 -14 11 0 0.00 1.60 -14 11 0 1.50 2.10 14 11 0 3.70 2.10 14 11 0 -1.30 2.10 0 -12 0 16.70 2.10 0 -12 0 18.90 2.00 0 12 0 20.60 2.00 0 12 0 17.60 2.30 -1 -12 0 0.20 1.00 1 -12 0 0.20 0.90 -1 -12 0 -1.80 1.10 -1 12 0 -0.20 1.00 1 12 0 -1.90 1.00 -1 12 0 -1.90 1.00 1 12 0 -2.20 1.30 2 -12 0 -2.10 0.90 -2 -12 0 -1.00 1.10 2 -12 0 -0.50 0.90 -2 -12 0 -1.40 1.00 -2 12 0 -1.80 0.90 -2 12 0 -1.60 1.10 3 -12 0 3.70 1.00 -3 -12 0 -0.10 1.20 -3 -12 0 2.10 1.20 3 -12 0 3.00 0.90 3 12 0 -0.70 1.30 -3 12 0 1.40 1.00 3 12 0 0.80 1.20 -3 12 0 1.50 1.10 4 -12 0 4.90 1.00 -4 -12 0 5.30 1.50 4 -12 0 6.00 1.00 -4 12 0 4.80 1.10 4 12 0 4.20 1.30 -4 12 0 6.90 1.40 -5 -12 0 51.89 3.10 5 -12 0 48.10 2.20 -5 -12 0 52.99 3.20 5 -12 0 51.49 2.10 -5 12 0 51.29 2.90 5 12 0 51.79 2.90 -5 12 0 53.49 2.60 5 12 0 54.59 3.20 6 -12 0 0.60 0.60 6 -12 0 -0.80 0.70 -6 -12 0 1.20 1.30 6 12 0 0.60 1.20 6 12 0 -1.50 1.30 -6 12 0 0.20 1.00 -6 12 0 0.00 1.20 7 -12 0 3.00 0.70 7 -12 0 2.60 0.60 -7 -12 0 4.00 1.70 7 12 0 4.20 1.50 -7 12 0 3.40 1.30 7 12 0 2.10 1.40 -7 12 0 3.20 1.10 -8 -12 0 5.70 1.80 -8 12 0 3.90 2.30 8 12 0 0.70 1.40 8 12 0 0.60 1.40 -9 -12 0 2.20 1.50 -9 -12 0 4.20 2.00 9 12 0 1.90 2.20 -9 12 0 -0.20 1.10 9 12 0 0.50 1.90 -10 -12 0 -0.70 2.00 -10 -12 0 2.50 2.10 -10 12 0 1.00 1.30 -10 12 0 -0.50 1.50 10 12 0 -2.80 1.60 -11 -12 0 6.10 2.40 -11 -12 0 7.40 2.20 11 12 0 5.80 1.90 -11 12 0 5.60 1.40 -11 12 0 7.10 1.80 11 12 0 4.40 2.10 -12 -12 0 -1.00 2.30 -12 12 0 -1.80 1.70 12 12 0 -4.00 1.80 12 12 0 0.40 1.90 -12 12 0 -4.20 1.60 -13 -12 0 -7.20 2.80 13 12 0 -4.70 2.00 13 12 0 0.40 2.00 -13 12 0 -0.30 1.60 -13 12 0 -1.10 2.00 0 -13 0 -3.00 1.20 0 13 0 -2.30 1.60 1 -13 0 1.70 1.10 1 -13 0 4.10 1.20 -1 -13 0 -0.90 1.20 -1 -13 0 2.10 1.30 -1 13 0 2.20 1.30 1 13 0 2.10 1.40 -1 13 0 2.20 1.40 2 -13 0 -1.80 1.00 2 -13 0 -1.50 1.00 -2 -13 0 -2.20 1.30 -2 13 0 -1.90 1.30 2 13 0 -3.80 1.40 -2 13 0 -1.50 1.10 3 -13 0 62.89 2.70 -3 -13 0 62.79 3.80 -3 -13 0 67.39 3.50 3 -13 0 66.19 2.80 -3 13 0 63.69 3.40 -3 13 0 65.49 3.00 3 13 0 59.29 3.20 4 -13 0 10.80 1.20 -4 -13 0 9.40 1.60 4 -13 0 16.50 1.70 -4 -13 0 11.80 1.70 4 13 0 5.90 1.60 -4 13 0 6.90 1.50 -4 13 0 11.50 1.40 4 13 0 11.20 1.50 5 -13 0 6.50 1.10 -5 -13 0 6.80 1.70 5 -13 0 7.10 1.00 -5 -13 0 8.90 1.70 5 13 0 6.50 1.60 5 13 0 9.20 1.60 -5 13 0 4.10 1.70 -5 13 0 8.00 1.30 6 -13 0 1.00 0.80 6 -13 0 0.70 0.70 6 13 0 -1.10 1.40 -6 13 0 0.40 1.10 6 13 0 1.90 1.50 7 -13 0 1.70 0.60 7 -13 0 3.20 0.80 -7 -13 0 2.00 1.70 7 13 0 2.30 2.10 -7 13 0 2.00 1.20 -7 13 0 2.40 1.40 -8 -13 0 3.80 1.90 8 13 0 8.80 1.90 -8 13 0 9.50 1.40 -8 13 0 5.70 1.70 -9 -13 0 3.40 2.00 -9 -13 0 0.70 1.80 -9 13 0 2.50 1.30 9 13 0 6.00 2.90 -9 13 0 7.30 1.80 -10 -13 0 8.30 2.50 -10 -13 0 3.00 2.20 -10 13 0 3.70 1.30 10 13 0 3.70 2.00 10 13 0 3.30 1.90 -11 -13 0 5.50 2.50 -11 -13 0 1.60 2.10 11 13 0 -0.30 2.00 11 13 0 1.20 2.10 -11 13 0 0.00 1.90 -12 -13 0 -2.10 2.70 -12 -13 0 1.90 2.70 -12 13 0 -2.10 1.60 -12 13 0 0.30 2.00 12 13 0 0.30 2.10 12 13 0 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1.50 -4 11 3 7.10 1.00 -4 11 3 7.60 1.20 -3 -11 3 -0.10 1.10 3 -11 -3 0.80 0.70 3 -11 -3 3.00 0.80 -3 -11 3 0.90 1.10 3 11 -3 2.80 1.30 -3 11 3 -0.10 1.00 3 11 -3 2.30 1.10 -3 11 3 0.50 0.80 2 -11 -3 43.30 2.10 -2 -11 3 41.90 2.60 -2 -11 3 41.80 2.50 2 -11 -3 43.30 2.00 -2 11 3 42.30 2.30 -2 11 3 43.10 2.40 2 11 -3 39.50 2.70 2 11 -3 42.70 2.40 -1 -11 3 21.50 2.10 1 -11 -3 18.90 1.80 1 -11 -3 21.80 1.70 -1 -11 3 17.80 2.00 1 11 -3 21.90 2.30 1 11 -3 15.20 2.00 -1 11 3 19.40 1.80 -1 11 3 22.30 2.10 0 -11 3 15.00 1.60 0 -11 -3 18.10 1.90 0 -11 3 16.30 1.50 0 11 3 17.80 1.80 0 11 -3 15.40 1.50 0 11 -3 15.50 1.60 0 11 3 20.80 2.10 -1 -11 -3 10.20 1.30 1 -11 3 13.50 1.90 -1 -11 -3 14.80 1.80 1 -11 3 9.60 1.20 -1 11 -3 15.70 2.20 -1 11 -3 10.40 1.20 1 11 3 9.80 1.30 1 11 3 15.20 2.10 -2 -11 -3 3.70 1.10 2 -11 3 4.00 1.10 2 -11 3 3.20 1.00 -2 -11 -3 3.00 1.10 -2 11 -3 3.90 1.20 -2 11 -3 3.80 1.00 2 11 3 3.90 1.20 2 11 3 3.90 1.20 -3 -11 -3 9.70 1.50 -3 -11 -3 8.00 1.30 3 -11 3 12.90 1.80 3 -11 3 8.30 1.20 3 11 3 7.70 1.30 3 11 3 11.50 1.50 -3 11 -3 10.10 1.30 -3 11 -3 6.90 1.30 4 -11 3 111.99 3.60 4 -11 3 105.89 3.40 -4 -11 -3 106.99 4.00 -4 -11 -3 109.89 3.90 4 11 3 99.19 3.80 -4 11 -3 99.29 3.90 4 11 3 98.69 3.90 -4 11 -3 102.49 3.50 -5 -11 -3 28.10 2.70 5 -11 3 28.10 1.90 -5 -11 -3 22.20 2.70 5 -11 3 25.60 2.00 -5 11 -3 24.00 2.50 5 11 3 24.70 2.80 5 11 3 28.90 2.50 -5 11 -3 29.00 2.10 -6 -11 -3 -0.70 1.30 6 -11 3 -1.00 0.80 6 -11 3 0.10 0.90 -6 -11 -3 -1.80 1.30 -6 11 -3 -0.50 1.00 6 11 3 -1.80 1.10 6 11 3 -0.10 1.20 7 -11 3 -0.20 0.70 7 -11 3 0.10 0.90 -7 -11 -3 -2.20 1.30 -7 11 -3 -2.10 1.80 7 11 3 -1.30 1.30 -7 11 -3 1.10 1.10 7 11 3 -2.20 1.20 8 -11 3 1.80 0.80 -8 -11 -3 4.50 1.70 8 -11 3 2.40 0.90 8 11 3 3.70 1.70 -8 11 -3 3.90 1.20 -8 11 -3 2.70 1.40 8 11 3 0.30 1.20 9 -11 3 6.40 1.00 -9 -11 -3 3.70 1.90 9 -11 3 5.90 0.90 -9 11 -3 5.40 1.60 -9 11 -3 6.30 1.40 9 11 3 5.40 1.70 -10 -11 -3 13.40 2.20 10 -11 3 14.60 1.30 -10 -11 -3 14.50 2.30 10 -11 3 15.50 1.30 10 11 3 16.70 2.30 -10 11 -3 14.50 2.00 -10 11 -3 17.80 1.90 -11 -11 -3 -3.30 2.00 -11 -11 -3 -1.50 2.20 11 11 3 1.40 1.90 -11 11 -3 0.10 1.50 11 11 3 0.40 1.80 -11 11 -3 0.50 1.80 -12 -11 -3 8.00 2.50 -12 -11 -3 6.40 2.80 -12 11 -3 8.30 2.10 12 11 3 4.90 2.10 -12 11 -3 10.30 1.90 12 11 3 11.60 2.30 -13 -11 -3 -1.50 2.80 -13 11 -3 -1.20 1.70 -13 11 -3 0.30 2.10 13 11 3 -2.60 2.20 13 11 3 1.10 2.10 -13 -12 3 -0.60 2.70 -13 -12 3 -5.30 2.40 -13 12 3 3.30 1.50 -13 12 3 0.10 1.70 13 12 -3 -0.90 1.60 -12 -12 3 6.30 2.30 -12 -12 3 7.40 2.70 12 12 -3 7.50 1.90 -12 12 3 5.30 1.60 -12 12 3 7.00 1.50 -12 12 3 7.30 1.50 -11 -12 3 4.60 2.20 -11 -12 3 7.00 2.30 -11 12 3 4.90 1.30 -10 -12 3 8.40 2.10 -10 -12 3 7.70 2.20 -10 12 3 7.80 1.30 10 12 -3 4.30 1.70 10 12 -3 7.90 1.90 -9 -12 3 1.90 1.90 -9 -12 3 8.50 1.90 -9 12 3 4.10 1.10 -9 12 3 5.30 1.40 9 12 -3 4.20 1.60 9 12 -3 5.30 1.60 -8 -12 3 6.70 1.90 -8 -12 3 6.10 1.70 -8 12 3 6.40 1.20 -8 12 3 5.10 1.30 8 12 -3 3.90 1.60 8 12 -3 5.70 1.50 -7 -12 3 3.60 1.40 -7 -12 3 7.20 1.70 7 12 -3 5.60 1.40 -7 12 3 8.20 1.30 -7 12 3 5.30 1.10 7 12 -3 5.50 1.50 -6 -12 3 6.40 1.50 -6 -12 3 3.00 1.90 -6 12 3 5.60 1.10 -6 12 3 6.50 1.30 6 12 -3 7.00 1.60 6 12 -3 4.00 1.30 -5 -12 3 6.30 1.50 5 -12 -3 8.30 0.90 5 -12 -3 7.20 1.00 -5 -12 3 5.30 1.40 5 12 -3 7.60 2.00 -5 12 3 7.30 1.30 -5 12 3 7.70 1.20 5 12 -3 6.30 1.30 -4 -12 3 19.50 2.60 4 -12 -3 15.30 1.30 -4 -12 3 13.30 1.60 4 -12 -3 17.70 1.40 4 12 -3 14.00 1.70 -4 12 3 16.10 1.90 4 12 -3 12.90 3.00 -4 12 3 17.10 2.20 -3 -12 3 4.10 1.30 3 -12 -3 5.30 0.90 -3 -12 3 5.70 1.40 3 -12 -3 6.00 0.90 3 12 -3 4.10 1.30 3 12 -3 1.80 1.40 -3 12 3 6.90 1.30 -3 12 3 5.60 1.20 2 -12 -3 -0.80 0.80 2 -12 -3 -0.50 0.80 -2 -12 3 -0.90 1.10 -2 12 3 0.20 1.00 -2 12 3 -1.40 1.10 -1 -12 3 3.20 1.20 1 -12 -3 -0.40 1.00 1 -12 -3 3.30 1.00 -1 -12 3 -0.10 1.20 1 12 -3 -1.70 1.40 1 12 -3 -0.40 1.20 -1 12 3 2.20 1.30 -1 12 3 2.20 1.00 0 -12 -3 3.90 1.10 0 -12 3 0.50 1.30 0 -12 -3 2.70 1.20 0 -12 3 2.10 1.20 0 12 3 4.20 1.20 0 12 -3 1.60 1.40 0 12 -3 0.30 1.20 0 12 3 4.00 1.30 1 -12 3 2.90 1.20 1 -12 3 1.00 1.20 -1 -12 -3 1.70 1.20 1 12 3 1.40 1.10 1 12 3 3.40 1.40 -1 12 -3 1.00 1.10 -1 12 -3 2.50 1.40 -2 -12 -3 144.99 4.70 -2 -12 -3 145.89 4.80 2 -12 3 151.18 4.60 2 -12 3 153.28 4.60 -2 12 -3 144.89 5.00 2 12 3 144.49 4.70 2 12 3 145.99 4.80 -2 12 -3 149.59 4.60 3 -12 3 40.20 2.30 3 -12 3 41.50 2.50 -3 -12 -3 39.50 2.90 -3 -12 -3 31.40 2.70 -3 12 -3 42.50 2.50 3 12 3 33.70 2.60 -3 12 -3 35.10 2.80 3 12 3 24.90 3.30 4 -12 3 3.40 1.00 4 -12 3 3.30 1.10 -4 -12 -3 2.20 1.40 -4 -12 -3 2.30 1.50 4 12 3 1.40 1.30 -4 12 -3 3.90 1.70 -4 12 -3 3.10 1.20 4 12 3 1.80 1.30 5 -12 3 0.50 1.00 5 -12 3 1.10 0.90 -5 -12 -3 0.00 1.20 -5 -12 -3 1.40 1.40 5 12 3 -0.10 1.20 5 12 3 -0.90 2.00 -5 12 -3 0.00 1.60 -5 12 -3 1.10 1.10 6 -12 3 14.30 1.40 6 -12 3 11.00 1.20 -6 -12 -3 13.60 1.80 -6 -12 -3 12.70 1.70 6 12 3 11.60 1.70 6 12 3 13.50 1.90 -6 12 -3 11.90 1.80 -6 12 -3 12.20 1.50 -7 -12 -3 2.50 1.80 7 -12 3 2.80 0.90 7 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3 -0.10 1.20 11 13 -3 -0.20 1.70 -11 13 3 0.00 1.60 -10 -13 3 4.50 2.30 -10 -13 3 7.90 2.40 -10 13 3 5.40 1.30 10 13 -3 3.70 1.70 -10 13 3 2.80 1.60 -9 -13 3 15.20 2.20 -9 -13 3 15.40 2.30 -9 13 3 13.00 1.50 9 13 -3 13.30 1.90 -9 13 3 15.70 2.90 -8 -13 3 8.60 2.00 -8 -13 3 5.80 1.70 -8 13 3 7.70 1.30 8 13 -3 5.10 2.40 -8 13 3 7.50 1.50 -7 -13 3 5.50 1.80 7 13 -3 6.70 1.70 -7 13 3 6.90 1.30 -7 13 3 7.70 1.40 7 13 -3 6.50 1.80 -6 13 3 0.80 1.10 6 13 -3 -1.30 1.30 -6 13 3 -0.20 1.20 6 13 -3 0.80 1.40 5 -13 -3 1.30 0.60 5 -13 -3 0.90 0.60 -5 -13 3 0.10 1.40 -5 13 3 0.70 1.10 -5 13 3 -0.10 1.00 5 13 -3 -1.40 1.20 5 13 -3 1.50 1.60 4 -13 -3 0.30 0.70 -4 -13 3 -1.00 1.20 -4 -13 3 2.70 1.40 4 -13 -3 -0.40 0.70 -4 13 3 0.90 1.00 4 13 -3 -3.00 1.20 4 13 -3 1.00 1.40 -4 13 3 1.10 1.10 -3 -13 3 0.10 1.30 3 -13 -3 4.40 0.90 3 -13 -3 2.20 0.90 -3 -13 3 2.50 1.40 -3 13 3 1.80 1.10 -3 13 3 3.30 1.20 3 13 -3 1.40 1.60 3 13 -3 0.90 1.30 -2 -13 3 14.00 1.80 2 -13 -3 16.40 1.90 -2 -13 3 12.80 2.10 2 -13 -3 15.80 1.90 -2 13 3 11.10 1.40 2 13 -3 10.60 1.90 2 13 -3 14.40 1.70 -2 13 3 15.10 1.70 1 -13 -3 83.89 3.20 -1 -13 3 75.59 3.80 1 -13 -3 75.59 3.40 -1 -13 3 84.89 3.70 -1 13 3 84.39 3.40 -1 13 3 90.29 3.80 1 13 -3 78.69 3.50 1 13 -3 74.69 3.80 0 -13 3 98.49 3.90 0 -13 3 93.89 3.90 0 -13 -3 96.69 3.60 0 -13 -3 95.99 3.80 0 13 -3 97.69 4.30 0 13 3 96.69 3.80 0 13 3 91.29 4.50 0 13 -3 94.19 3.80 -1 -13 -3 8.60 1.70 -1 -13 -3 10.50 1.60 1 -13 3 18.60 2.50 1 13 3 14.20 2.90 -1 13 -3 12.60 1.90 1 13 3 10.40 1.60 2 -13 3 0.80 1.20 -2 -13 -3 -1.60 1.20 2 -13 3 0.40 1.20 -2 -13 -3 -1.20 1.20 2 13 3 -3.00 1.20 -2 13 -3 0.40 1.10 2 13 3 -1.10 1.40 -2 13 -3 -0.20 1.30 -3 -13 -3 7.20 1.70 -3 -13 -3 6.90 1.60 3 -13 3 12.20 1.40 3 -13 3 9.60 1.40 3 13 3 10.20 1.70 3 13 3 9.30 1.70 -3 13 -3 10.80 1.70 -3 13 -3 9.50 1.40 4 -13 3 0.30 1.00 4 -13 3 2.40 1.10 -4 -13 -3 -0.20 1.30 -4 -13 -3 1.20 1.30 4 13 3 -0.20 1.30 -4 13 -3 -0.40 1.30 -4 13 -3 0.60 1.10 5 -13 3 6.60 1.10 5 -13 3 7.20 1.30 -5 -13 -3 5.30 1.70 -5 -13 -3 5.70 1.50 -5 13 -3 8.40 1.60 -5 13 -3 7.10 1.30 5 13 3 6.60 1.90 -6 -13 -3 8.20 2.00 6 -13 3 8.50 1.30 6 -13 3 8.70 1.20 6 13 3 8.40 1.80 -6 13 -3 10.20 1.50 -6 13 -3 8.50 1.80 7 -13 3 1.40 1.10 7 -13 3 2.30 0.90 -7 -13 -3 3.50 1.80 -7 13 -3 1.20 1.30 -7 13 -3 0.70 1.60 7 13 3 -0.10 1.70 -8 -13 -3 2.50 2.00 8 -13 3 1.00 0.90 8 -13 3 0.30 1.00 -8 13 -3 0.50 1.50 -8 13 -3 1.70 1.80 8 13 3 -1.60 1.80 8 13 3 2.50 1.80 -9 -13 -3 11.90 2.40 9 -13 3 14.10 1.60 -9 -13 -3 9.20 2.20 9 -13 3 11.40 1.20 9 13 3 9.50 2.20 -9 13 -3 10.20 1.70 9 13 3 9.00 2.10 10 -13 3 4.70 0.70 -10 -13 -3 3.00 2.40 -10 -13 -3 4.30 2.20 10 13 3 7.50 2.20 10 13 3 5.40 2.10 -10 13 -3 4.60 1.70 -10 13 -3 6.50 2.20 -11 -13 -3 3.80 2.80 -11 -13 -3 5.80 2.40 11 13 3 0.90 2.10 -11 13 -3 3.40 1.80 11 13 3 2.20 2.20 -11 13 -3 1.00 2.10 -12 -13 -3 3.50 2.90 -12 13 -3 1.70 1.90 12 13 3 0.20 2.40 12 13 3 2.50 2.50 -12 13 -3 7.30 2.50 -12 -14 3 -0.20 2.80 12 14 -3 2.30 2.00 -12 14 3 1.60 1.60 -12 14 3 1.90 2.10 12 14 -3 -0.90 2.40 -11 -14 3 1.50 2.70 -11 -14 3 3.40 2.30 11 14 -3 4.70 2.20 11 14 -3 4.10 1.90 -11 14 3 6.10 2.00 -11 14 3 3.60 1.40 -10 -14 3 8.70 2.50 -10 -14 3 3.80 2.50 10 14 -3 6.10 2.00 10 14 -3 4.80 2.00 -10 14 3 6.20 1.90 -10 14 3 7.70 1.50 -9 -14 3 10.00 2.40 -9 -14 3 3.30 2.10 9 14 -3 3.00 1.80 9 14 -3 3.50 1.90 -9 14 3 3.10 1.40 -9 14 3 4.60 1.70 -8 -14 3 2.20 1.90 -8 -14 3 0.30 1.80 8 14 -3 1.00 1.50 -8 14 3 5.50 1.60 -8 14 3 2.80 1.30 -7 -14 3 -2.20 1.70 7 14 -3 -3.80 1.50 -7 14 3 -1.60 1.20 -7 14 3 -1.70 1.40 -6 -14 3 -1.30 1.60 -6 14 3 -0.10 1.20 6 14 -3 -1.90 1.40 -6 14 3 0.30 2.20 5 -14 -3 0.50 0.70 5 -14 -3 0.20 0.60 -5 -14 3 1.10 1.50 5 14 -3 -2.60 2.50 5 14 -3 0.20 1.60 -5 14 3 0.30 1.20 4 -14 -3 1.00 0.80 -4 -14 3 -1.20 1.20 4 -14 -3 1.00 0.80 -4 -14 3 1.40 2.00 -4 14 3 1.00 1.10 4 14 -3 1.30 1.60 4 14 -3 0.50 1.60 3 -14 -3 2.20 1.00 -3 -14 3 3.80 1.50 3 -14 -3 2.40 1.00 -3 -14 3 2.80 1.50 3 14 -3 3.80 1.40 -3 14 3 3.70 1.20 -3 14 3 1.70 2.20 -2 -14 3 0.50 1.40 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12 -4 18.40 2.40 -8 12 4 14.40 1.40 8 12 -4 15.90 1.90 -8 12 4 14.20 1.60 -7 -12 4 12.90 2.00 -7 -12 4 11.60 1.80 7 12 -4 13.00 1.70 -7 12 4 12.10 1.50 -7 12 4 9.00 1.30 7 12 -4 10.80 1.60 -6 -12 4 1.20 1.20 -6 -12 4 1.40 1.30 6 12 -4 -0.20 1.40 -6 12 4 0.20 1.00 6 12 -4 0.60 1.20 -6 12 4 0.40 1.00 -5 -12 4 0.80 1.30 5 -12 -4 4.10 0.40 -5 -12 4 4.20 1.40 5 -12 -4 4.40 0.60 -5 12 4 3.60 1.20 5 12 -4 2.00 1.20 5 12 -4 3.90 1.80 -5 12 4 4.10 1.00 -4 -12 4 0.80 1.20 -4 -12 4 1.10 1.20 4 -12 -4 0.30 0.60 4 -12 -4 -0.60 0.50 -4 12 4 -0.10 1.00 4 12 -4 -0.90 1.10 -4 12 4 0.30 0.90 -3 -12 4 21.50 2.40 3 -12 -4 21.70 1.60 3 -12 -4 21.80 1.60 -3 12 4 24.40 2.30 -3 12 4 21.80 2.00 3 12 -4 21.10 2.40 3 12 -4 18.30 2.20 -2 -12 4 10.10 1.50 2 -12 -4 9.20 1.10 2 -12 -4 10.30 1.10 -2 -12 4 9.00 1.40 -2 12 4 10.70 1.40 2 12 -4 8.70 1.40 -2 12 4 10.50 1.50 2 12 -4 7.30 1.60 -1 -12 4 36.70 2.60 -1 -12 4 33.30 2.60 1 -12 -4 31.80 2.10 1 -12 -4 26.80 2.20 -1 12 4 35.40 2.30 1 12 -4 26.20 2.40 -1 12 4 34.80 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1.50 1.10 -6 -9 5 -0.60 1.00 -6 9 5 0.20 0.60 6 9 -5 -0.10 0.90 -6 9 5 0.20 0.70 6 9 -5 2.10 1.00 -5 -9 5 11.20 1.30 -5 -9 5 9.70 1.30 -5 9 5 12.40 1.40 5 9 -5 13.20 1.70 -5 9 5 12.10 1.30 5 9 -5 13.40 1.40 -4 -9 5 14.60 1.80 -4 -9 5 10.90 1.30 -4 9 5 12.90 1.30 -4 9 5 14.40 1.40 4 9 -5 13.30 1.40 4 9 -5 10.40 1.10 -3 -9 5 0.80 0.90 3 -9 -5 0.90 0.50 -3 -9 5 0.70 0.90 3 -9 -5 2.00 0.50 -3 9 5 1.50 0.70 -3 9 5 2.50 0.80 3 9 -5 1.00 0.90 3 9 -5 0.70 1.10 -2 -9 5 192.68 5.40 -2 -9 5 193.48 5.30 2 -9 -5 192.18 4.80 2 -9 -5 195.98 4.90 -2 9 5 196.98 5.20 2 9 -5 194.08 5.20 2 9 -5 198.78 5.50 -2 9 5 192.68 5.10 1 -9 -5 15.60 1.30 1 9 -5 15.30 1.90 -1 9 5 14.10 1.50 -1 9 5 14.40 1.70 1 9 -5 14.60 1.60 0 -9 5 0.70 0.90 0 -9 -5 2.60 0.70 0 -9 -5 1.80 0.80 0 -9 5 1.40 0.90 0 9 5 3.10 0.90 0 9 -5 0.10 0.90 0 9 -5 1.10 1.00 0 9 5 1.90 0.80 -1 -9 -5 5.80 0.90 -1 -9 -5 4.60 1.00 1 -9 5 3.90 1.00 1 -9 5 2.50 1.00 -1 9 -5 3.70 1.00 -1 9 -5 4.20 1.10 1 9 5 4.00 1.00 2 -9 5 121.39 3.80 -2 -9 -5 126.39 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5.40 1.00 -11 10 5 7.60 1.20 -10 -10 5 4.30 1.60 -10 10 5 6.00 1.00 -10 10 5 5.00 0.90 10 10 -5 5.40 1.30 10 10 -5 6.90 1.40 -9 -10 5 0.70 1.40 -9 -10 5 1.60 1.60 9 10 -5 2.20 1.30 9 10 -5 0.40 1.10 -9 10 5 0.60 0.80 -8 -10 5 30.20 2.80 -8 -10 5 32.00 2.90 -8 10 5 27.20 2.00 -8 10 5 26.90 1.80 8 10 -5 34.20 2.30 8 10 -5 29.70 2.50 -7 -10 5 27.70 3.20 -7 -10 5 33.40 2.70 7 10 -5 32.60 2.40 7 10 -5 29.60 2.20 -7 10 5 27.70 1.80 -7 10 5 27.90 1.90 -6 -10 5 25.10 2.30 -6 -10 5 23.80 2.40 6 10 -5 27.60 2.30 6 10 -5 24.10 2.10 -6 10 5 23.60 1.80 -6 10 5 21.30 1.60 -5 -10 5 -0.10 1.00 -5 -10 5 -0.30 1.00 5 10 -5 0.00 1.10 -5 10 5 -0.50 0.70 -5 10 5 -0.10 0.70 5 10 -5 0.50 1.00 4 -10 -5 5.30 0.50 -4 -10 5 6.90 1.20 -4 -10 5 6.50 1.20 4 -10 -5 6.10 0.60 -4 10 5 6.00 1.00 4 10 -5 5.90 1.30 4 10 -5 4.80 1.10 -4 10 5 4.90 0.90 3 -10 -5 0.50 0.50 -3 -10 5 -0.10 1.00 3 -10 -5 1.00 0.50 -3 -10 5 1.10 1.10 3 10 -5 1.80 1.00 3 10 -5 0.10 1.10 -3 10 5 1.30 0.80 -3 10 5 0.50 0.90 -2 -10 5 6.30 1.10 -2 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2.10 1.10 7 11 -5 2.40 1.30 -7 11 5 0.20 0.90 -6 -11 5 -1.10 1.30 -6 -11 5 0.40 1.30 -6 11 5 0.10 0.90 6 11 -5 0.30 1.00 -6 11 5 -1.30 0.80 6 11 -5 -0.20 1.20 -5 -11 5 0.60 1.20 -5 -11 5 -0.50 2.00 5 11 -5 0.30 1.30 5 11 -5 -0.40 1.00 -5 11 5 -1.50 0.80 -5 11 5 -0.60 0.90 -4 -11 5 26.90 2.40 4 -11 -5 26.20 1.10 4 -11 -5 25.20 1.00 -4 -11 5 24.10 2.30 -4 11 5 29.40 2.10 4 11 -5 29.60 2.60 -4 11 5 28.50 1.90 4 11 -5 25.90 2.20 3 -11 -5 5.30 0.70 -3 -11 5 4.00 1.20 -3 -11 5 5.10 1.30 3 -11 -5 4.50 0.70 -3 11 5 3.70 1.00 -3 11 5 5.50 1.10 3 11 -5 4.70 1.40 3 11 -5 2.80 1.10 2 -11 -5 79.79 2.60 -2 -11 5 83.29 3.40 -2 -11 5 76.89 3.30 -2 11 5 79.99 3.00 2 11 -5 83.59 3.60 2 11 -5 78.89 3.20 -2 11 5 77.59 3.20 -1 -11 5 -0.70 1.00 1 -11 -5 0.70 0.90 1 -11 -5 0.50 0.80 -1 11 5 1.60 1.00 1 11 -5 0.00 1.30 -1 11 5 1.80 1.10 1 11 -5 -0.10 1.00 0 -11 5 1.60 1.10 0 -11 -5 2.30 1.00 0 -11 -5 2.10 0.90 0 -11 5 -0.70 1.10 0 11 5 3.60 1.10 0 11 -5 -0.10 1.10 0 11 -5 0.30 1.30 0 11 5 1.90 1.10 1 -11 5 4.60 1.30 1 -11 5 4.00 1.20 -1 -11 -5 5.60 1.30 -1 -11 -5 5.90 1.20 1 11 5 6.40 1.30 -1 11 -5 2.00 1.30 1 11 5 4.90 1.30 -1 11 -5 4.90 1.20 2 -11 5 203.08 5.70 -2 -11 -5 203.68 5.90 2 -11 5 200.98 5.70 -2 -11 -5 203.38 5.70 2 11 5 205.58 5.90 -2 11 -5 196.38 6.00 -2 11 -5 201.08 5.70 2 11 5 209.88 5.90 -3 -11 -5 7.20 1.50 3 -11 5 7.40 1.20 -3 -11 -5 5.80 1.30 3 -11 5 9.20 1.30 3 11 5 8.40 1.50 -3 11 -5 8.30 1.30 3 11 5 9.60 1.70 -3 11 -5 6.20 1.40 4 -11 5 1.90 1.10 -4 -11 -5 1.30 1.50 -4 -11 -5 -2.50 1.30 4 -11 5 1.40 0.90 -4 11 -5 1.70 1.10 4 11 5 -0.70 1.20 4 11 5 -1.30 1.20 -5 -11 -5 -0.20 1.20 -5 -11 -5 -0.20 1.40 5 -11 5 0.10 0.90 5 -11 5 1.00 1.10 5 11 5 -1.40 1.30 -5 11 -5 -0.60 1.40 5 11 5 -0.90 1.20 -5 11 -5 0.00 1.00 -6 -11 -5 -1.50 1.30 6 -11 5 0.50 0.90 6 -11 5 0.40 1.00 -6 -11 -5 0.40 1.20 -6 11 -5 -0.70 1.40 -6 11 -5 -0.40 1.10 6 11 5 1.40 1.40 7 -11 5 1.20 1.10 -7 -11 -5 -1.70 2.00 7 -11 5 0.60 0.90 -7 11 -5 0.60 1.20 7 11 5 -0.90 1.30 -7 11 -5 0.70 1.50 -8 -11 -5 43.80 3.70 8 -11 5 38.70 2.60 8 -11 5 33.80 2.30 -8 11 -5 38.20 2.80 8 11 5 45.00 3.40 -8 11 -5 41.70 3.40 9 -11 5 0.50 1.00 -9 -11 -5 2.70 2.10 9 -11 5 0.40 1.10 9 11 5 -0.40 1.60 9 11 5 0.50 1.80 -9 11 -5 -3.20 1.70 -9 11 -5 4.00 1.80 -10 -11 -5 17.20 2.50 10 -11 5 16.90 2.20 -10 -11 -5 16.10 2.70 10 -11 5 19.10 2.00 -10 11 -5 15.20 1.90 -10 11 -5 17.30 2.40 10 11 5 18.10 2.50 10 11 5 14.50 2.20 -11 -11 -5 -0.90 2.40 -11 -11 -5 0.40 2.10 11 -11 5 -0.20 0.90 11 -11 5 -0.20 1.00 -11 11 -5 1.90 1.60 -11 11 -5 0.80 2.20 11 11 5 -1.40 2.00 11 11 5 1.70 1.90 -12 -11 -5 3.10 4.40 12 -11 5 1.30 0.60 -12 -11 -5 3.40 2.90 -12 11 -5 1.60 2.30 -12 11 -5 2.20 1.70 12 11 5 2.30 2.10 12 11 5 3.30 2.30 -13 11 -5 2.30 1.90 -13 -12 5 1.20 2.60 -13 -12 5 -1.70 2.50 -13 12 5 3.00 1.40 13 12 -5 0.70 1.90 13 12 -5 1.10 1.70 -12 -12 5 7.80 2.50 -12 -12 5 0.70 2.40 12 12 -5 1.30 1.80 -12 12 5 5.00 1.20 12 12 -5 4.30 1.60 -11 -12 5 1.40 2.20 -11 -12 5 1.20 2.00 11 12 -5 1.10 1.80 -11 12 5 0.80 1.10 -11 12 5 0.90 1.30 11 12 -5 2.40 1.50 -10 -12 5 2.90 1.80 -10 -12 5 3.50 2.00 -10 12 5 4.50 1.30 -10 12 5 5.60 1.20 10 12 -5 5.40 1.80 10 12 -5 4.70 1.50 -9 -12 5 2.40 1.70 -9 -12 5 -2.40 1.70 -9 12 5 -0.80 1.10 -9 12 5 -1.00 0.90 9 12 -5 0.10 1.20 9 12 -5 0.80 1.50 -8 -12 5 25.20 3.20 -8 -12 5 23.80 3.10 8 12 -5 16.00 1.90 8 12 -5 27.20 2.60 -8 12 5 20.00 2.30 -8 12 5 17.70 2.00 -7 -12 5 0.00 1.90 -7 -12 5 0.80 1.40 -7 12 5 0.20 1.10 -7 12 5 0.40 1.00 7 12 -5 1.10 1.20 7 12 -5 2.40 1.50 -6 -12 5 28.50 2.70 -6 -12 5 38.50 3.00 -6 12 5 37.10 2.50 -6 12 5 41.70 2.30 6 12 -5 43.50 2.60 6 12 -5 39.90 3.00 -5 -12 5 4.30 1.40 -5 -12 5 0.20 1.20 -5 12 5 3.20 1.00 -5 12 5 1.80 1.00 5 12 -5 3.00 1.20 5 12 -5 4.20 1.70 4 -12 -5 15.80 1.00 4 -12 -5 17.70 1.10 -4 -12 5 12.30 1.60 -4 -12 5 12.30 1.70 4 12 -5 16.50 3.50 -4 12 5 15.30 1.90 4 12 -5 15.10 2.10 -4 12 5 16.00 2.10 -3 -12 5 2.10 1.30 3 -12 -5 1.70 0.70 3 -12 -5 2.60 0.70 -3 -12 5 1.90 1.40 3 12 -5 0.20 1.00 -3 12 5 1.90 1.00 -3 12 5 3.30 1.20 -2 -12 5 0.30 1.50 2 -12 -5 0.40 0.80 -2 -12 5 2.60 1.30 -2 12 5 0.70 1.20 -2 12 5 0.90 1.00 2 12 -5 -1.00 1.10 -1 -12 5 83.99 3.60 1 -12 -5 88.19 3.10 -1 -12 5 87.09 3.70 1 -12 -5 89.09 3.30 -1 12 5 92.79 3.50 1 12 -5 85.29 3.50 -1 12 5 89.89 3.60 0 -12 5 143.09 4.70 0 -12 -5 143.79 4.40 0 -12 5 143.49 4.80 0 -12 -5 138.29 4.50 0 12 -5 141.89 4.60 0 12 5 144.89 4.60 0 12 5 147.09 4.70 1 -12 5 33.80 2.60 1 -12 5 33.40 2.60 -1 -12 -5 34.00 2.70 -1 -12 -5 31.00 2.50 1 12 5 36.20 2.80 1 12 5 31.30 2.60 -1 12 -5 35.70 2.60 2 -12 5 8.50 1.40 2 -12 5 8.70 1.50 -2 -12 -5 7.30 1.40 2 12 5 7.80 1.60 -2 12 -5 7.20 1.30 -2 12 -5 5.50 1.60 -3 -12 -5 0.80 1.30 3 -12 5 0.50 1.00 -3 -12 -5 -1.10 1.30 3 -12 5 0.20 1.10 -3 12 -5 -0.40 1.10 3 12 5 -2.10 1.30 -3 12 -5 1.50 1.40 -4 -12 -5 0.10 1.20 4 -12 5 0.50 1.10 -4 -12 -5 -2.80 1.30 4 -12 5 -1.00 0.90 -4 12 -5 -0.60 1.30 4 12 5 -0.40 1.10 -4 12 -5 -2.30 1.10 5 -12 5 0.10 1.00 -5 -12 -5 0.60 1.30 -5 -12 -5 -2.10 1.40 5 -12 5 0.30 1.10 -5 12 -5 0.40 1.10 -5 12 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0.00 15 8 3 0.84 0.00 -15 10 3 0.62 0.00 -14 12 3 0.17 0.00 11 15 3 0.57 0.00 -11 16 3 0.18 0.00 10 16 3 -0.54 0.00 9 17 3 -0.27 0.00 6 19 3 0.18 0.00 -4 0 4 19.08 0.00 16 0 4 -0.12 0.00 16 1 4 0.00 0.00 -17 2 4 -0.43 0.00 16 2 4 -0.16 0.00 -17 3 4 -0.26 0.00 15 7 4 0.54 0.00 -15 10 4 -0.31 0.00 14 10 4 -0.80 0.00 -14 12 4 -0.70 0.00 13 12 4 0.48 0.00 -4 20 4 -0.31 0.00 3 20 4 -0.99 0.00 -17 1 5 -0.18 0.00 -17 2 5 0.01 0.00 -17 3 5 -0.31 0.00 15 6 5 0.01 0.00 14 9 5 -1.08 0.00 -15 10 5 0.73 0.00 -14 12 5 -0.04 0.00 12 13 5 -0.57 0.00 7 18 5 0.23 0.00 5 19 5 0.46 0.00 -3 20 5 -0.16 0.00 2 20 5 0.98 0.00 -17 1 6 0.51 0.00 -17 2 6 -0.07 0.00 15 4 6 -0.16 0.00 15 5 6 -0.15 0.00 -16 7 6 0.30 0.00 14 8 6 -0.75 0.00 10 15 6 -0.12 0.00 9 16 6 -0.21 0.00 -8 18 6 0.14 0.00 -6 19 6 -0.55 0.00 -2 20 6 0.38 0.00 -1 20 6 -0.39 0.00 0 20 6 0.34 0.00 -17 0 7 0.80 0.00 15 0 7 0.50 0.00 -17 1 7 0.09 0.00 15 1 7 -0.30 0.00 15 2 7 0.49 0.00 15 3 7 -0.07 0.00 -16 7 7 -0.44 0.00 14 7 7 -0.29 0.00 13 10 7 0.78 0.00 -13 13 7 0.33 0.00 14 6 8 -0.10 0.00 -15 9 8 -0.28 0.00 13 9 8 0.41 0.00 12 11 8 -0.17 0.00 -12 14 8 0.28 0.00 10 14 8 -1.07 0.00 9 15 8 1.13 0.00 -10 16 8 -0.34 0.00 8 16 8 -0.78 0.00 -7 18 8 0.78 0.00 5 18 8 0.41 0.00 14 3 9 -0.42 0.00 14 4 9 0.19 0.00 -16 6 9 0.41 0.00 13 8 9 0.04 0.00 12 10 9 -0.11 0.00 11 12 9 0.46 0.00 10 13 9 -0.75 0.00 6 17 9 -0.36 0.00 4 18 9 -0.63 0.00 -3 19 9 0.14 0.00 0 19 9 -0.05 0.00 1 19 9 -0.11 0.00 -16 5 10 0.66 0.00 13 6 10 -0.47 0.00 -15 8 10 -0.02 0.00 12 9 10 -0.05 0.00 11 11 10 0.00 0.00 -13 12 10 -0.04 0.00 5 17 10 0.14 0.00 3 18 10 0.59 0.00 -16 3 11 0.02 0.00 13 3 11 -0.41 0.00 -16 4 11 0.52 0.00 13 4 11 0.19 0.00 11 10 11 -0.39 0.00 9 13 11 0.90 0.00 -11 14 11 0.69 0.00 8 14 11 -1.63 0.00 -10 15 11 -0.88 0.00 7 15 11 1.13 0.00 -7 17 11 0.09 0.00 4 17 11 0.11 0.00 -4 18 11 -0.01 0.00 1 18 11 -0.56 0.00 -16 0 12 -0.18 0.00 -16 1 12 0.01 0.00 12 6 12 -0.02 0.00 -14 9 12 0.02 0.00 9 12 12 -0.02 0.00 8 13 12 -1.14 0.00 6 15 12 -0.85 0.00 12 1 13 0.31 0.00 12 2 13 0.39 0.00 12 3 13 0.00 0.00 -15 5 13 0.38 0.00 11 7 13 0.47 0.00 -14 8 13 -0.53 0.00 10 9 13 0.06 0.00 -13 10 13 -0.03 0.00 9 11 13 -0.78 0.00 8 12 13 0.06 0.00 5 15 13 0.28 0.00 3 16 13 0.42 0.00 -4 17 13 -0.22 0.00 -3 17 13 -0.21 0.00 -1 17 13 -0.12 0.00 0 17 13 0.32 0.00 -15 3 14 -0.20 0.00 11 4 14 -0.08 0.00 11 5 14 0.23 0.00 -14 7 14 -0.76 0.00 10 8 14 -0.35 0.00 -13 9 14 -0.16 0.00 8 11 14 0.82 0.00 -11 12 14 -0.34 0.00 -10 13 14 0.41 0.00 -9 14 14 -0.50 0.00 5 14 14 0.08 0.00 -5 16 14 -0.35 0.00 1 16 14 0.00 0.00 -14 5 15 0.22 0.00 10 5 15 -0.42 0.00 10 6 15 -0.62 0.00 -13 8 15 -0.16 0.00 9 8 15 0.73 0.00 -12 10 15 0.28 0.00 8 10 15 0.62 0.00 7 11 15 -0.56 0.00 -8 14 15 -0.18 0.00 4 14 15 0.54 0.00 -6 15 15 0.05 0.00 2 15 15 -0.67 0.00 10 0 16 0.13 0.00 10 1 16 0.20 0.00 10 2 16 -0.01 0.00 -14 3 16 -0.39 0.00 9 6 16 0.48 0.00 8 8 16 -0.91 0.00 -11 10 16 -0.14 0.00 7 10 16 -0.26 0.00 6 11 16 0.23 0.00 5 12 16 -0.39 0.00 -8 13 16 -0.53 0.00 4 13 16 0.72 0.00 -6 14 16 0.00 0.00 2 14 16 -0.23 0.00 -3 15 16 -0.15 0.00 -2 15 16 0.20 0.00 -1 15 16 -0.18 0.00 9 0 17 0.26 0.00 9 1 17 -0.13 0.00 9 2 17 0.36 0.00 9 3 17 -0.38 0.00 -13 5 17 -0.27 0.00 8 6 17 -0.14 0.00 -12 7 17 0.15 0.00 7 8 17 0.87 0.00 -11 9 17 0.13 0.00 5 11 17 -0.02 0.00 -8 12 17 -0.58 0.00 2 13 17 0.41 0.00 -4 14 17 0.09 0.00 -3 14 17 -0.28 0.00 -2 14 17 0.36 0.00 -1 14 17 -0.32 0.00 8 0 18 -0.70 0.00 -13 1 18 -0.27 0.00 8 1 18 -0.06 0.00 8 2 18 -0.71 0.00 8 3 18 0.22 0.00 -12 5 18 0.81 0.00 7 6 18 -0.16 0.00 6 8 18 -0.71 0.00 -10 9 18 -0.45 0.00 5 9 18 1.25 0.00 -9 10 18 0.72 0.00 4 10 18 -0.85 0.00 -8 11 18 -0.59 0.00 3 11 18 -0.18 0.00 -6 12 18 -0.12 0.00 2 12 18 0.65 0.00 -4 13 18 0.26 0.00 -3 13 18 -0.22 0.00 -2 13 18 0.40 0.00 -1 13 18 -0.33 0.00 7 0 19 1.02 0.00 -12 1 19 -0.76 0.00 7 1 19 0.25 0.00 -12 2 19 -0.02 0.00 7 2 19 0.87 0.00 6 5 19 -0.18 0.00 5 7 19 0.20 0.00 -6 11 19 0.16 0.00 1 11 19 -0.59 0.00 6 0 20 -1.09 0.00 -11 1 20 0.84 0.00 -11 2 20 0.26 0.00 5 3 20 0.35 0.00 5 4 20 0.07 0.00 -10 5 20 0.48 0.00 4 6 20 0.09 0.00 -9 7 20 0.73 0.00 -8 8 20 -0.79 0.00 3 8 20 0.59 0.00 -7 9 20 0.33 0.00 1 9 20 0.25 0.00 -5 10 20 -0.07 0.00 -4 10 20 0.35 0.00 -1 10 20 0.22 0.00 0 10 20 0.24 0.00 4 1 21 -0.87 0.00 4 2 21 -0.15 0.00 4 3 21 -0.16 0.00 -9 4 21 0.31 0.00 3 4 21 0.05 0.00 3 5 21 0.54 0.00 -8 6 21 0.27 0.00 2 6 21 -0.75 0.00 -7 7 21 -0.36 0.00 1 7 21 0.37 0.00 -6 8 21 0.60 0.00 -5 8 21 0.13 0.00 -1 8 21 0.31 0.00 0 8 21 0.09 0.00 -8 0 22 -1.02 0.00 2 0 22 -0.76 0.00 -8 1 22 -0.14 0.00 2 1 22 0.14 0.00 -8 2 22 -0.62 0.00 2 2 22 -0.55 0.00 -7 3 22 0.48 0.00 2 3 22 0.09 0.00 -7 4 22 0.23 0.00 1 4 22 0.20 0.00 -6 5 22 -0.33 0.00 0 5 22 -0.30 0.00 -5 6 22 0.28 0.00 -4 6 22 0.05 0.00 -3 6 22 0.39 0.00 -2 6 22 0.25 0.00 -1 6 22 0.18 0.00 -5 0 23 0.95 0.00 -3 0 23 0.83 0.00 -1 0 23 0.44 0.00 -5 1 23 0.07 0.00 -4 1 23 -0.86 0.00 -3 1 23 0.28 0.00 -2 1 23 -0.64 0.00 -1 1 23 0.25 0.00 -4 2 23 -0.14 0.00 -3 2 23 0.68 0.00 -2 2 23 -0.38 0.00 -3 3 23 0.20 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 129 42 ' ' 2 0.500 1.000 1.000 129 42 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 1 0 2.002 0 2 0 2.527 -1 0 1 1.761 1 0 1 2.090 -1 1 1 2.167 0 1 1 1.708 1 1 1 2.442 0 2 1 2.777 -2 0 2 3.523 0 0 2 2.300 -1 1 2 2.834 0 1 2 2.624 -3 0 3 5.289 -4 0 4 7.060 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL mo_molan50P 21/nk_0m_a R = 0.10 CELL 13.3240 16.1190 17.9980 90.00 100.21 90.00 SPGR P21/n # Solvent Accessible Volume = 258 # Electrons Found in S.A.V. = 84 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.560 0.977 0.058 ! 2.79 eA-3 C102 0.534 0.041 0.057 ! 2.44 eA-3 C103 0.500 0.063 0.025 ! 2.33 eA-3 Q104 0.658 0.418 0.578 ! 0.64 eA-3 Q105 0.671 0.264 0.459 ! 0.58 eA-3 Q106 0.237 0.446 0.361 ! 0.57 eA-3 Q107 0.233 0.508 0.348 ! 0.57 eA-3 ) ; _shelx_fab_checksum 70730 data_mo_molan508e_400k_0m_a_sq _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' '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' 'Fe' 'Fe' 0.3463 0.8444 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.365(8) _cell_length_b 16.116(11) _cell_length_c 18.101(11) _cell_angle_alpha 90 _cell_angle_beta 99.93(3) _cell_angle_gamma 90 _cell_volume 3840(4) _cell_formula_units_Z 4 _cell_measurement_temperature 400(2) _cell_measurement_reflns_used 7633 _cell_measurement_theta_min 2.96 _cell_measurement_theta_max 26.54 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.236 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.437 _shelx_estimated_absorpt_T_min 0.773 _shelx_estimated_absorpt_T_max 0.966 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6071 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 400(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 50699 _diffrn_reflns_av_unetI/netI 0.0492 _diffrn_reflns_av_R_equivalents 0.0757 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.964 _diffrn_reflns_theta_max 27.259 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.981 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.981 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.981 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 8445 _reflns_number_gt 4435 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0666P)^2^+3.7919P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 8445 _refine_ls_number_parameters 494 _refine_ls_number_restraints 146 _refine_ls_R_factor_all 0.1326 _refine_ls_R_factor_gt 0.0610 _refine_ls_wR_factor_ref 0.1911 _refine_ls_wR_factor_gt 0.1428 _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_restrained_S_all 1.041 _refine_ls_shift/su_max 0.000 _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 Fe1 Fe 0.66499(4) 0.27611(3) 0.44900(3) 0.05661(19) Uani 1 1 d . . . . . O1 O 1.2272(2) 0.2554(2) 0.25353(18) 0.0854(9) Uani 1 1 d . . . . . O2 O 0.1088(2) 0.2522(2) 0.6555(2) 0.1013(12) Uani 1 1 d . . . . . N1 N 0.7140(2) 0.33424(18) 0.36972(18) 0.0561(8) Uani 1 1 d . . . . . N2 N 0.7984(2) 0.31896(18) 0.34404(17) 0.0555(7) Uani 1 1 d . . . . . N3 N 0.8623(2) 0.20815(19) 0.43333(17) 0.0556(8) Uani 1 1 d . . . . . N4 N 0.7819(2) 0.20600(18) 0.46606(16) 0.0526(7) Uani 1 1 d . . . . . N5 N 0.5510(2) 0.20431(18) 0.43770(16) 0.0524(7) Uani 1 1 d . . . . . N6 N 0.4719(2) 0.20566(18) 0.47221(16) 0.0513(7) Uani 1 1 d . . . . . N7 N 0.5279(2) 0.32644(18) 0.55000(17) 0.0535(7) Uani 1 1 d . . . . . N8 N 0.6098(2) 0.33979(18) 0.52027(17) 0.0551(7) Uani 1 1 d D . . . . C1 C 0.6554(3) 0.3992(2) 0.3276(2) 0.0603(10) Uani 1 1 d . . . . . C2 C 0.5551(3) 0.4107(3) 0.3341(3) 0.0805(13) Uani 1 1 d . . . . . H2 H 0.525303 0.375486 0.364780 0.097 Uiso 1 1 calc R U . . . C3 C 0.4978(4) 0.4739(4) 0.2957(3) 0.0967(16) Uani 1 1 d . . . . . H3 H 0.430173 0.480047 0.300848 0.116 Uiso 1 1 calc R U . . . C4 C 0.5389(4) 0.5273(3) 0.2502(3) 0.0983(17) Uani 1 1 d . . . . . H4 H 0.500916 0.570794 0.225955 0.118 Uiso 1 1 calc R U . . . C5 C 0.6376(4) 0.5147(3) 0.2416(3) 0.1032(18) Uani 1 1 d . . . . . H5 H 0.666241 0.548883 0.209516 0.124 Uiso 1 1 calc R U . . . C6 C 0.6955(3) 0.4518(3) 0.2799(3) 0.0906(15) Uani 1 1 d . . . . . H6 H 0.762575 0.444963 0.273408 0.109 Uiso 1 1 calc R U . . . C7 C 0.8659(3) 0.2625(2) 0.3768(2) 0.0491(8) Uani 1 1 d . . . . . C8 C 0.9614(3) 0.2576(2) 0.3448(2) 0.0496(8) Uani 1 1 d . . . . . C9 C 0.9626(3) 0.2753(2) 0.2697(2) 0.0586(9) Uani 1 1 d . . . . . H9 H 0.902315 0.289239 0.238261 0.070 Uiso 1 1 calc R U . . . C10 C 1.0513(3) 0.2725(2) 0.2413(2) 0.0616(10) Uani 1 1 d . . . . . H10 H 1.050382 0.283819 0.190790 0.074 Uiso 1 1 calc R U . . . C11 C 1.1427(3) 0.2528(2) 0.2873(2) 0.0559(9) Uani 1 1 d . . . . . C12 C 1.1439(3) 0.2339(2) 0.3623(2) 0.0626(10) Uani 1 1 d . . . . . H12 H 1.204487 0.220051 0.393301 0.075 Uiso 1 1 calc R U . . . C13 C 1.0544(3) 0.2359(2) 0.3902(2) 0.0633(10) Uani 1 1 d . . . . . H13 H 1.055345 0.222578 0.440280 0.076 Uiso 1 1 calc R U . . . C14 C 1.3231(3) 0.2378(4) 0.2980(3) 0.117(2) Uani 1 1 d . . . . . H14A H 1.375078 0.241796 0.267652 0.176 Uiso 1 1 calc R U . . . H14B H 1.322446 0.182693 0.318102 0.176 Uiso 1 1 calc R U . . . H14C H 1.336522 0.277008 0.338449 0.176 Uiso 1 1 calc R U . . . C15 C 0.7871(3) 0.1372(2) 0.5177(2) 0.0542(9) Uani 1 1 d . . . . . C16 C 0.8330(4) 0.0634(3) 0.5051(3) 0.0814(13) Uani 1 1 d . . . . . H16 H 0.862656 0.056822 0.462556 0.098 Uiso 1 1 calc R U . . . C17 C 0.8350(4) -0.0013(3) 0.5562(3) 0.1001(17) Uani 1 1 d . . . . . H17 H 0.866595 -0.050934 0.547554 0.120 Uiso 1 1 calc R U . . . C18 C 0.7915(4) 0.0066(3) 0.6188(3) 0.0926(15) Uani 1 1 d . . . . . H18 H 0.792954 -0.037325 0.652237 0.111 Uiso 1 1 calc R U . . . C19 C 0.7458(4) 0.0796(3) 0.6317(3) 0.0889(15) Uani 1 1 d . . . . . H19 H 0.715848 0.085371 0.674191 0.107 Uiso 1 1 calc R U . . . C20 C 0.7437(3) 0.1453(3) 0.5818(2) 0.0708(11) Uani 1 1 d . . . . . H20 H 0.713095 0.195092 0.591371 0.085 Uiso 1 1 calc R U . . . C21 C 0.5492(3) 0.1346(2) 0.3880(2) 0.0511(8) Uani 1 1 d . . . . . C22 C 0.5157(4) 0.0580(3) 0.4079(3) 0.0783(13) Uani 1 1 d . . . . . H22 H 0.492036 0.051667 0.452979 0.094 Uiso 1 1 calc R U . . . C23 C 0.5174(4) -0.0091(3) 0.3606(3) 0.0923(15) Uani 1 1 d . . . . . H23 H 0.496504 -0.060861 0.374938 0.111 Uiso 1 1 calc R U . . . C24 C 0.5497(4) -0.0006(3) 0.2920(3) 0.0874(15) Uani 1 1 d . . . . . H24 H 0.549093 -0.045756 0.259946 0.105 Uiso 1 1 calc R U . . . C25 C 0.5823(4) 0.0752(3) 0.2728(3) 0.0895(15) Uani 1 1 d . . . . . H25 H 0.604849 0.081725 0.227353 0.107 Uiso 1 1 calc R U . . . C26 C 0.5821(3) 0.1430(3) 0.3203(2) 0.0645(10) Uani 1 1 d . . . . . H26 H 0.604438 0.194399 0.306332 0.077 Uiso 1 1 calc R U . . . C27 C 0.4643(2) 0.2642(2) 0.52390(19) 0.0474(8) Uani 1 1 d . . . . . C28 C 0.3709(3) 0.2585(2) 0.55831(19) 0.0497(8) Uani 1 1 d . . . . . C29 C 0.3402(3) 0.3243(3) 0.5988(3) 0.0718(12) Uani 1 1 d . . . . . H29 H 0.379226 0.372334 0.605227 0.086 Uiso 1 1 calc R U . . . C30 C 0.2529(3) 0.3196(3) 0.6298(3) 0.0838(14) Uani 1 1 d . . . . . H30 H 0.233608 0.364861 0.655968 0.101 Uiso 1 1 calc R U . . . C31 C 0.1943(3) 0.2497(3) 0.6226(2) 0.0661(11) Uani 1 1 d . . . . . C32 C 0.2241(3) 0.1824(3) 0.5847(2) 0.0701(11) Uani 1 1 d . . . . . H32 H 0.185710 0.133976 0.580328 0.084 Uiso 1 1 calc R U . . . C33 C 0.3113(3) 0.1871(3) 0.5533(2) 0.0636(10) Uani 1 1 d . . . . . H33 H 0.330658 0.141208 0.528018 0.076 Uiso 1 1 calc R U . . . C34 C 0.0321(4) 0.1930(4) 0.6343(3) 0.1053(18) Uani 1 1 d . . . . . H34A H 0.010437 0.194852 0.580894 0.158 Uiso 1 1 calc R U . . . H34B H -0.024540 0.204980 0.658734 0.158 Uiso 1 1 calc R U . . . H34C H 0.057925 0.138716 0.648665 0.158 Uiso 1 1 calc R U . . . C35 C 0.6704(8) 0.4055(6) 0.5560(7) 0.066(7) Uani 0.39(2) 1 d DG U P A 1 C36 C 0.6342(10) 0.4861(8) 0.5438(9) 0.101(6) Uani 0.39(2) 1 d G U P A 1 H36 H 0.572664 0.495741 0.512266 0.121 Uiso 0.39(2) 1 calc R U P A 1 C37 C 0.6900(12) 0.5523(6) 0.5788(9) 0.105(6) Uani 0.39(2) 1 d G U P A 1 H37 H 0.665785 0.606220 0.570655 0.126 Uiso 0.39(2) 1 calc R U P A 1 C38 C 0.7820(10) 0.5379(7) 0.6260(9) 0.131(10) Uani 0.39(2) 1 d G U P A 1 H38 H 0.819292 0.582213 0.649423 0.157 Uiso 0.39(2) 1 calc R U P A 1 C39 C 0.8181(12) 0.4574(8) 0.6382(15) 0.147(10) Uani 0.39(2) 1 d G U P A 1 H39 H 0.879680 0.447728 0.669801 0.176 Uiso 0.39(2) 1 calc R U P A 1 C40 C 0.7624(13) 0.3912(6) 0.6032(14) 0.110(8) Uani 0.39(2) 1 d G U P A 1 H40 H 0.786560 0.337248 0.611413 0.132 Uiso 0.39(2) 1 calc R U P A 1 C35' C 0.6703(5) 0.4076(4) 0.5601(4) 0.056(4) Uani 0.61(2) 1 d DG U P A 2 C36' C 0.6814(10) 0.4826(5) 0.5244(4) 0.100(4) Uani 0.61(2) 1 d G U P A 2 H36' H 0.648538 0.491035 0.475385 0.120 Uiso 0.61(2) 1 calc R U P A 2 C37' C 0.7415(11) 0.5450(5) 0.5621(4) 0.112(5) Uani 0.61(2) 1 d G U P A 2 H37' H 0.748903 0.595171 0.538194 0.135 Uiso 0.61(2) 1 calc R U P A 2 C38' C 0.7906(6) 0.5324(4) 0.6354(4) 0.089(4) Uani 0.61(2) 1 d G U P A 2 H38' H 0.830845 0.574153 0.660547 0.107 Uiso 0.61(2) 1 calc R U P A 2 C39' C 0.7796(7) 0.4574(5) 0.6710(4) 0.089(3) Uani 0.61(2) 1 d G U P A 2 H39' H 0.812421 0.448998 0.720093 0.107 Uiso 0.61(2) 1 calc R U P A 2 C40' C 0.7194(8) 0.3950(4) 0.6334(4) 0.079(3) Uani 0.61(2) 1 d G U P A 2 H40' H 0.712055 0.344860 0.657285 0.094 Uiso 0.61(2) 1 calc R U P A 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Fe1 0.0463(3) 0.0632(4) 0.0652(4) -0.0038(3) 0.0232(2) -0.0041(3) O1 0.0524(16) 0.125(3) 0.085(2) 0.0115(19) 0.0310(15) 0.0075(16) O2 0.0638(19) 0.139(3) 0.114(3) -0.031(2) 0.0528(19) -0.0168(19) N1 0.0395(15) 0.0492(18) 0.081(2) -0.0047(15) 0.0139(15) -0.0027(13) N2 0.0477(16) 0.0527(18) 0.068(2) -0.0014(15) 0.0156(15) 0.0000(14) N3 0.0451(16) 0.0610(19) 0.0633(19) 0.0027(15) 0.0168(14) -0.0008(14) N4 0.0540(17) 0.0545(18) 0.0519(17) 0.0015(14) 0.0163(14) -0.0072(14) N5 0.0571(17) 0.0497(17) 0.0553(18) -0.0024(14) 0.0234(14) -0.0023(14) N6 0.0460(15) 0.0603(19) 0.0508(17) -0.0030(14) 0.0174(13) -0.0028(13) N7 0.0469(16) 0.0576(18) 0.0583(18) -0.0063(15) 0.0155(14) -0.0053(14) N8 0.0460(16) 0.0546(18) 0.0661(19) -0.0037(15) 0.0135(14) -0.0071(14) C1 0.049(2) 0.049(2) 0.080(3) -0.007(2) 0.0037(19) 0.0004(17) C2 0.056(2) 0.088(3) 0.096(3) 0.007(3) 0.009(2) 0.012(2) C3 0.067(3) 0.105(4) 0.115(4) -0.007(3) 0.008(3) 0.026(3) C4 0.085(4) 0.068(3) 0.134(5) 0.006(3) -0.002(3) 0.020(3) C5 0.088(4) 0.071(3) 0.146(5) 0.029(3) 0.007(3) 0.000(3) C6 0.059(3) 0.071(3) 0.140(5) 0.018(3) 0.013(3) -0.004(2) C7 0.0446(18) 0.054(2) 0.050(2) -0.0013(17) 0.0110(16) -0.0044(16) C8 0.0472(19) 0.049(2) 0.055(2) 0.0014(16) 0.0139(16) 0.0005(15) C9 0.0470(19) 0.071(3) 0.057(2) 0.0035(19) 0.0073(17) 0.0056(18) C10 0.061(2) 0.075(3) 0.053(2) 0.0066(19) 0.0196(18) 0.003(2) C11 0.0445(19) 0.062(2) 0.064(2) 0.0000(19) 0.0178(18) 0.0000(17) C12 0.049(2) 0.070(3) 0.068(3) 0.011(2) 0.0078(18) 0.0064(18) C13 0.054(2) 0.077(3) 0.060(2) 0.018(2) 0.0149(19) 0.0084(19) C14 0.044(2) 0.182(6) 0.131(5) 0.017(4) 0.028(3) 0.008(3) C15 0.054(2) 0.053(2) 0.056(2) 0.0011(17) 0.0109(17) -0.0072(17) C16 0.115(4) 0.060(3) 0.077(3) 0.003(2) 0.037(3) 0.004(3) C17 0.139(5) 0.060(3) 0.107(4) 0.008(3) 0.036(4) 0.008(3) C18 0.115(4) 0.074(3) 0.091(4) 0.025(3) 0.023(3) -0.012(3) C19 0.103(4) 0.100(4) 0.072(3) 0.022(3) 0.037(3) -0.002(3) C20 0.074(3) 0.073(3) 0.069(3) 0.008(2) 0.026(2) 0.005(2) C21 0.0495(19) 0.050(2) 0.057(2) -0.0014(17) 0.0179(16) -0.0029(16) C22 0.103(3) 0.060(3) 0.079(3) -0.006(2) 0.037(3) -0.007(2) C23 0.116(4) 0.049(3) 0.120(4) -0.001(3) 0.044(3) -0.007(3) C24 0.089(3) 0.060(3) 0.121(4) -0.036(3) 0.040(3) -0.010(2) C25 0.097(4) 0.089(4) 0.097(4) -0.028(3) 0.058(3) -0.013(3) C26 0.070(3) 0.059(2) 0.073(3) -0.010(2) 0.035(2) -0.0132(19) C27 0.0435(18) 0.055(2) 0.0442(19) -0.0003(16) 0.0088(15) 0.0002(16) C28 0.0450(18) 0.060(2) 0.0444(19) -0.0037(16) 0.0102(15) -0.0012(16) C29 0.058(2) 0.068(3) 0.095(3) -0.016(2) 0.030(2) -0.011(2) C30 0.068(3) 0.084(3) 0.108(4) -0.027(3) 0.039(3) -0.001(2) C31 0.045(2) 0.088(3) 0.070(3) -0.009(2) 0.0219(19) -0.006(2) C32 0.058(2) 0.078(3) 0.079(3) -0.008(2) 0.025(2) -0.020(2) C33 0.060(2) 0.067(3) 0.068(3) -0.014(2) 0.023(2) -0.0099(19) C34 0.059(3) 0.157(5) 0.105(4) -0.006(4) 0.028(3) -0.025(3) C35 0.056(11) 0.062(8) 0.084(12) -0.010(9) 0.021(9) -0.011(8) C36 0.103(10) 0.068(7) 0.130(13) -0.018(7) 0.014(9) 0.007(6) C37 0.131(12) 0.059(7) 0.128(13) -0.017(7) 0.032(10) -0.008(7) C38 0.135(15) 0.086(10) 0.164(19) -0.008(12) 0.006(13) -0.041(10) C39 0.117(13) 0.092(9) 0.20(2) -0.014(10) -0.051(14) -0.040(8) C40 0.082(10) 0.066(7) 0.165(17) -0.004(9) -0.028(11) -0.023(6) C35' 0.052(8) 0.049(5) 0.068(6) -0.009(5) 0.016(5) -0.008(5) C36' 0.138(10) 0.069(5) 0.084(6) 0.009(4) -0.004(6) -0.030(5) C37' 0.145(11) 0.068(6) 0.115(6) -0.001(5) 0.002(7) -0.032(6) C38' 0.095(8) 0.064(6) 0.106(6) -0.035(4) 0.011(5) -0.033(5) C39' 0.089(6) 0.081(5) 0.093(6) -0.016(4) 0.004(5) -0.018(4) C40' 0.082(6) 0.075(5) 0.076(5) 0.003(4) 0.004(4) -0.021(4) _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 Fe1 N8 1.894(3) . ? Fe1 N5 1.896(3) . ? Fe1 N4 1.910(3) . ? Fe1 N1 1.921(3) . ? O1 C11 1.374(4) . ? O1 C14 1.419(6) . ? O2 C31 1.377(4) . ? O2 C34 1.405(6) . ? N1 N2 1.316(4) . ? N1 C1 1.444(5) . ? N2 C7 1.345(4) . ? N3 N4 1.314(4) . ? N3 C7 1.354(4) . ? N4 C15 1.444(4) . ? N5 N6 1.317(4) . ? N5 C21 1.437(4) . ? N6 C27 1.345(4) . ? N7 N8 1.319(4) . ? N7 C27 1.346(4) . ? N8 C35 1.420(7) . ? N8 C35' 1.472(5) . ? C1 C2 1.379(5) . ? C1 C6 1.383(6) . ? C2 C3 1.386(7) . ? C2 H2 0.9300 . ? C3 C4 1.369(7) . ? C3 H3 0.9300 . ? C4 C5 1.370(7) . ? C4 H4 0.9300 . ? C5 C6 1.386(6) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C7 C8 1.491(5) . ? C8 C9 1.393(5) . ? C8 C13 1.410(5) . ? C9 C10 1.372(5) . ? C9 H9 0.9300 . ? C10 C11 1.391(5) . ? C10 H10 0.9300 . ? C11 C12 1.388(5) . ? C12 C13 1.376(5) . ? C12 H12 0.9300 . ? C13 H13 0.9300 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 C16 1.376(6) . ? C15 C20 1.390(5) . ? C16 C17 1.392(6) . ? C16 H16 0.9300 . ? C17 C18 1.366(7) . ? C17 H17 0.9300 . ? C18 C19 1.364(7) . ? C18 H18 0.9300 . ? C19 C20 1.390(6) . ? C19 H19 0.9300 . ? C20 H20 0.9300 . ? C21 C26 1.378(5) . ? C21 C22 1.381(5) . ? C22 C23 1.382(6) . ? C22 H22 0.9300 . ? C23 C24 1.390(7) . ? C23 H23 0.9300 . ? C24 C25 1.363(6) . ? C24 H24 0.9300 . ? C25 C26 1.391(6) . ? C25 H25 0.9300 . ? C26 H26 0.9300 . ? C27 C28 1.491(5) . ? C28 C29 1.391(5) . ? C28 C33 1.393(5) . ? C29 C30 1.381(5) . ? C29 H29 0.9300 . ? C30 C31 1.365(6) . ? C30 H30 0.9300 . ? C31 C32 1.377(6) . ? C32 C33 1.385(5) . ? C32 H32 0.9300 . ? C33 H33 0.9300 . ? C34 H34A 0.9600 . ? C34 H34B 0.9600 . ? C34 H34C 0.9600 . ? C35 C36 1.3900 . ? C35 C40 1.3900 . ? C36 C37 1.3900 . ? C36 H36 0.9300 . ? C37 C38 1.3900 . ? C37 H37 0.9300 . ? C38 C39 1.3900 . ? C38 H38 0.9300 . ? C39 C40 1.3900 . ? C39 H39 0.9300 . ? C40 H40 0.9300 . ? C35' C36' 1.3900 . ? C35' C40' 1.3900 . ? C36' C37' 1.3900 . ? C36' H36' 0.9300 . ? C37' C38' 1.3900 . ? C37' H37' 0.9300 . ? C38' C39' 1.3900 . ? C38' H38' 0.9300 . ? C39' C40' 1.3900 . ? C39' H39' 0.9300 . ? C40' H40' 0.9300 . ? 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 N8 Fe1 N5 90.24(12) . . ? N8 Fe1 N4 127.87(13) . . ? N5 Fe1 N4 106.04(13) . . ? N8 Fe1 N1 117.87(13) . . ? N5 Fe1 N1 126.03(13) . . ? N4 Fe1 N1 91.98(12) . . ? C11 O1 C14 118.2(4) . . ? C31 O2 C34 118.8(4) . . ? N2 N1 C1 111.7(3) . . ? N2 N1 Fe1 126.6(2) . . ? C1 N1 Fe1 121.6(2) . . ? N1 N2 C7 121.5(3) . . ? N4 N3 C7 119.8(3) . . ? N3 N4 C15 111.1(3) . . ? N3 N4 Fe1 128.4(2) . . ? C15 N4 Fe1 120.4(2) . . ? N6 N5 C21 112.4(3) . . ? N6 N5 Fe1 129.4(2) . . ? C21 N5 Fe1 118.1(2) . . ? N5 N6 C27 120.3(3) . . ? N8 N7 C27 119.8(3) . . ? N7 N8 C35 112.6(6) . . ? N7 N8 C35' 110.2(4) . . ? N7 N8 Fe1 129.6(2) . . ? C35 N8 Fe1 117.2(5) . . ? C35' N8 Fe1 119.4(3) . . ? C2 C1 C6 117.3(4) . . ? C2 C1 N1 119.9(4) . . ? C6 C1 N1 122.8(4) . . ? C1 C2 C3 121.1(5) . . ? C1 C2 H2 119.4 . . ? C3 C2 H2 119.4 . . ? C4 C3 C2 121.3(5) . . ? C4 C3 H3 119.4 . . ? C2 C3 H3 119.4 . . ? C3 C4 C5 117.9(5) . . ? C3 C4 H4 121.0 . . ? C5 C4 H4 121.0 . . ? C4 C5 C6 121.2(5) . . ? C4 C5 H5 119.4 . . ? C6 C5 H5 119.4 . . ? C1 C6 C5 121.2(5) . . ? C1 C6 H6 119.4 . . ? C5 C6 H6 119.4 . . ? N2 C7 N3 131.5(3) . . ? N2 C7 C8 114.7(3) . . ? N3 C7 C8 113.8(3) . . ? C9 C8 C13 117.5(3) . . ? C9 C8 C7 121.5(3) . . ? C13 C8 C7 121.0(3) . . ? C10 C9 C8 121.0(3) . . ? C10 C9 H9 119.5 . . ? C8 C9 H9 119.5 . . ? C9 C10 C11 120.6(3) . . ? C9 C10 H10 119.7 . . ? C11 C10 H10 119.7 . . ? O1 C11 C12 124.7(4) . . ? O1 C11 C10 115.5(3) . . ? C12 C11 C10 119.7(3) . . ? C13 C12 C11 119.3(4) . . ? C13 C12 H12 120.3 . . ? C11 C12 H12 120.3 . . ? C12 C13 C8 121.7(4) . . ? C12 C13 H13 119.1 . . ? C8 C13 H13 119.1 . . ? O1 C14 H14A 109.5 . . ? O1 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O1 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C16 C15 C20 118.8(4) . . ? C16 C15 N4 121.9(3) . . ? C20 C15 N4 119.2(3) . . ? C15 C16 C17 119.7(4) . . ? C15 C16 H16 120.2 . . ? C17 C16 H16 120.2 . . ? C18 C17 C16 121.3(5) . . ? C18 C17 H17 119.4 . . ? C16 C17 H17 119.4 . . ? C19 C18 C17 119.4(5) . . ? C19 C18 H18 120.3 . . ? C17 C18 H18 120.3 . . ? C18 C19 C20 120.3(4) . . ? C18 C19 H19 119.8 . . ? C20 C19 H19 119.8 . . ? C19 C20 C15 120.5(4) . . ? C19 C20 H20 119.8 . . ? C15 C20 H20 119.8 . . ? C26 C21 C22 119.2(4) . . ? C26 C21 N5 120.4(3) . . ? C22 C21 N5 120.4(3) . . ? C21 C22 C23 119.8(4) . . ? C21 C22 H22 120.1 . . ? C23 C22 H22 120.1 . . ? C22 C23 C24 121.1(4) . . ? C22 C23 H23 119.4 . . ? C24 C23 H23 119.4 . . ? C25 C24 C23 118.6(4) . . ? C25 C24 H24 120.7 . . ? C23 C24 H24 120.7 . . ? C24 C25 C26 120.8(4) . . ? C24 C25 H25 119.6 . . ? C26 C25 H25 119.6 . . ? C21 C26 C25 120.5(4) . . ? C21 C26 H26 119.8 . . ? C25 C26 H26 119.8 . . ? N6 C27 N7 130.4(3) . . ? N6 C27 C28 114.6(3) . . ? N7 C27 C28 115.0(3) . . ? C29 C28 C33 116.5(3) . . ? C29 C28 C27 121.1(3) . . ? C33 C28 C27 122.4(3) . . ? C30 C29 C28 121.3(4) . . ? C30 C29 H29 119.4 . . ? C28 C29 H29 119.4 . . ? C31 C30 C29 121.1(4) . . ? C31 C30 H30 119.4 . . ? C29 C30 H30 119.4 . . ? C30 C31 O2 116.0(4) . . ? C30 C31 C32 119.1(4) . . ? O2 C31 C32 124.8(4) . . ? C31 C32 C33 119.8(4) . . ? C31 C32 H32 120.1 . . ? C33 C32 H32 120.1 . . ? C32 C33 C28 122.1(4) . . ? C32 C33 H33 119.0 . . ? C28 C33 H33 119.0 . . ? O2 C34 H34A 109.5 . . ? O2 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O2 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C36 C35 C40 120.0 . . ? C36 C35 N8 118.0(8) . . ? C40 C35 N8 122.0(8) . . ? C37 C36 C35 120.0 . . ? C37 C36 H36 120.0 . . ? C35 C36 H36 120.0 . . ? C38 C37 C36 120.0 . . ? C38 C37 H37 120.0 . . ? C36 C37 H37 120.0 . . ? C39 C38 C37 120.0 . . ? C39 C38 H38 120.0 . . ? C37 C38 H38 120.0 . . ? C38 C39 C40 120.0 . . ? C38 C39 H39 120.0 . . ? C40 C39 H39 120.0 . . ? C39 C40 C35 120.0 . . ? C39 C40 H40 120.0 . . ? C35 C40 H40 120.0 . . ? C36' C35' C40' 120.0 . . ? C36' C35' N8 120.8(4) . . ? C40' C35' N8 119.2(4) . . ? C37' C36' C35' 120.0 . . ? C37' C36' H36' 120.0 . . ? C35' C36' H36' 120.0 . . ? C36' C37' C38' 120.0 . . ? C36' C37' H37' 120.0 . . ? C38' C37' H37' 120.0 . . ? C37' C38' C39' 120.0 . . ? C37' C38' H38' 120.0 . . ? C39' C38' H38' 120.0 . . ? C40' C39' C38' 120.0 . . ? C40' C39' H39' 120.0 . . ? C38' C39' H39' 120.0 . . ? C39' C40' C35' 120.0 . . ? C39' C40' H40' 120.0 . . ? C35' C40' H40' 120.0 . . ? _refine_diff_density_max 0.308 _refine_diff_density_min -0.304 _refine_diff_density_rms 0.055 _shelx_res_file ; TITL mo_molan508e_400K_0m_a.res in P2(1)/n mo_molan508e_400k_0m_a_sq.res created by SHELXL-2018/1 at 14:18:15 on 22-Oct-2018 REM Old TITL mo_molan508e_400K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.242, Rweak 0.013, Alpha 0.041, Orientation as input REM Formula found by SHELXT: C40 N10 O Fe CELL 0.71073 13.3645 16.1163 18.1011 90.000 99.932 90.000 ZERR 4.000 0.0076 0.0107 0.0114 0.000 0.025 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C N O FE H UNIT 160 32 8 4 136 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP 126.900 SIZE 0.080 0.360 0.620 L.S. 5 0 23 acta BOND $H FMAP 2 PLAN 20 dfix 1.44 0.01 N8 C35 N8 C35' rigu 0.002 C35 > C40 rigu 0.002 C35' > C40' isor 0.05 C35 > C40 isor 0.05 C35' > C40' ABIN ACTA WGHT 0.066600 3.791900 FVAR 0.20429 0.39128 0.34708 FE1 4 0.664990 0.276112 0.448997 11.00000 0.04627 0.06320 = 0.06518 -0.00378 0.02317 -0.00412 O1 3 1.227202 0.255353 0.253528 11.00000 0.05240 0.12529 = 0.08518 0.01148 0.03102 0.00746 O2 3 0.108831 0.252237 0.655517 11.00000 0.06380 0.13937 = 0.11403 -0.03076 0.05284 -0.01685 N1 2 0.714007 0.334238 0.369717 11.00000 0.03946 0.04917 = 0.08090 -0.00472 0.01394 -0.00267 N2 2 0.798446 0.318959 0.344037 11.00000 0.04768 0.05273 = 0.06810 -0.00142 0.01558 -0.00001 N3 2 0.862317 0.208152 0.433329 11.00000 0.04514 0.06098 = 0.06335 0.00271 0.01681 -0.00076 N4 2 0.781897 0.206002 0.466065 11.00000 0.05400 0.05447 = 0.05192 0.00148 0.01628 -0.00725 N5 2 0.550974 0.204314 0.437700 11.00000 0.05715 0.04968 = 0.05526 -0.00240 0.02336 -0.00226 N6 2 0.471889 0.205662 0.472205 11.00000 0.04603 0.06029 = 0.05077 -0.00301 0.01741 -0.00276 N7 2 0.527873 0.326443 0.549995 11.00000 0.04692 0.05760 = 0.05830 -0.00634 0.01551 -0.00535 N8 2 0.609841 0.339790 0.520272 11.00000 0.04596 0.05460 = 0.06610 -0.00371 0.01352 -0.00714 C1 1 0.655438 0.399180 0.327581 11.00000 0.04928 0.04921 = 0.07976 -0.00655 0.00372 0.00043 C2 1 0.555070 0.410688 0.334093 11.00000 0.05599 0.08765 = 0.09636 0.00711 0.00855 0.01227 AFIX 43 H2 5 0.525303 0.375486 0.364780 11.00000 -1.20000 AFIX 0 C3 1 0.497800 0.473851 0.295663 11.00000 0.06728 0.10532 = 0.11471 -0.00689 0.00796 0.02585 AFIX 43 H3 5 0.430173 0.480047 0.300848 11.00000 -1.20000 AFIX 0 C4 1 0.538861 0.527288 0.250223 11.00000 0.08502 0.06834 = 0.13416 0.00616 -0.00177 0.01973 AFIX 43 H4 5 0.500916 0.570794 0.225955 11.00000 -1.20000 AFIX 0 C5 1 0.637607 0.514668 0.241619 11.00000 0.08765 0.07129 = 0.14588 0.02854 0.00657 0.00040 AFIX 43 H5 5 0.666241 0.548883 0.209516 11.00000 -1.20000 AFIX 0 C6 1 0.695544 0.451838 0.279898 11.00000 0.05908 0.07076 = 0.14045 0.01843 0.01274 -0.00430 AFIX 43 H6 5 0.762575 0.444963 0.273408 11.00000 -1.20000 AFIX 0 C7 1 0.865935 0.262459 0.376780 11.00000 0.04456 0.05352 = 0.05033 -0.00129 0.01101 -0.00438 C8 1 0.961428 0.257593 0.344829 11.00000 0.04720 0.04851 = 0.05499 0.00137 0.01388 0.00053 C9 1 0.962594 0.275295 0.269681 11.00000 0.04695 0.07088 = 0.05743 0.00349 0.00726 0.00559 AFIX 43 H9 5 0.902315 0.289239 0.238261 11.00000 -1.20000 AFIX 0 C10 1 1.051344 0.272474 0.241283 11.00000 0.06085 0.07490 = 0.05259 0.00660 0.01960 0.00340 AFIX 43 H10 5 1.050382 0.283819 0.190790 11.00000 -1.20000 AFIX 0 C11 1 1.142717 0.252809 0.287302 11.00000 0.04448 0.06187 = 0.06431 -0.00003 0.01783 -0.00003 C12 1 1.143871 0.233914 0.362258 11.00000 0.04866 0.07036 = 0.06798 0.01092 0.00780 0.00637 AFIX 43 H12 5 1.204487 0.220051 0.393301 11.00000 -1.20000 AFIX 0 C13 1 1.054437 0.235897 0.390178 11.00000 0.05405 0.07714 = 0.06035 0.01795 0.01488 0.00836 AFIX 43 H13 5 1.055345 0.222578 0.440280 11.00000 -1.20000 AFIX 0 C14 1 1.323068 0.237792 0.298034 11.00000 0.04375 0.18217 = 0.13076 0.01680 0.02755 0.00838 AFIX 137 H14A 5 1.375078 0.241796 0.267652 11.00000 -1.50000 H14B 5 1.322446 0.182693 0.318102 11.00000 -1.50000 H14C 5 1.336522 0.277008 0.338449 11.00000 -1.50000 AFIX 0 C15 1 0.787106 0.137230 0.517707 11.00000 0.05436 0.05307 = 0.05556 0.00112 0.01091 -0.00721 C16 1 0.833050 0.063424 0.505063 11.00000 0.11544 0.05952 = 0.07651 0.00299 0.03684 0.00372 AFIX 43 H16 5 0.862656 0.056822 0.462556 11.00000 -1.20000 AFIX 0 C17 1 0.835016 -0.001306 0.556175 11.00000 0.13863 0.06044 = 0.10663 0.00764 0.03643 0.00761 AFIX 43 H17 5 0.866595 -0.050934 0.547554 11.00000 -1.20000 AFIX 0 C18 1 0.791459 0.006628 0.618774 11.00000 0.11480 0.07374 = 0.09125 0.02457 0.02309 -0.01239 AFIX 43 H18 5 0.792954 -0.037325 0.652237 11.00000 -1.20000 AFIX 0 C19 1 0.745767 0.079587 0.631744 11.00000 0.10323 0.09957 = 0.07155 0.02161 0.03654 -0.00249 AFIX 43 H19 5 0.715848 0.085371 0.674191 11.00000 -1.20000 AFIX 0 C20 1 0.743714 0.145331 0.581819 11.00000 0.07425 0.07343 = 0.06945 0.00819 0.02562 0.00480 AFIX 43 H20 5 0.713095 0.195092 0.591371 11.00000 -1.20000 AFIX 0 C21 1 0.549213 0.134570 0.388024 11.00000 0.04954 0.05024 = 0.05675 -0.00140 0.01789 -0.00293 C22 1 0.515677 0.058015 0.407905 11.00000 0.10329 0.06043 = 0.07898 -0.00575 0.03737 -0.00671 AFIX 43 H22 5 0.492036 0.051667 0.452979 11.00000 -1.20000 AFIX 0 C23 1 0.517357 -0.009128 0.360618 11.00000 0.11587 0.04921 = 0.12014 -0.00109 0.04366 -0.00720 AFIX 43 H23 5 0.496504 -0.060861 0.374938 11.00000 -1.20000 AFIX 0 C24 1 0.549681 -0.000631 0.292042 11.00000 0.08933 0.05976 = 0.12103 -0.03622 0.04002 -0.01010 AFIX 43 H24 5 0.549093 -0.045756 0.259946 11.00000 -1.20000 AFIX 0 C25 1 0.582261 0.075220 0.272812 11.00000 0.09739 0.08931 = 0.09671 -0.02820 0.05842 -0.01303 AFIX 43 H25 5 0.604849 0.081725 0.227353 11.00000 -1.20000 AFIX 0 C26 1 0.582142 0.143011 0.320329 11.00000 0.06998 0.05898 = 0.07258 -0.00998 0.03516 -0.01320 AFIX 43 H26 5 0.604438 0.194399 0.306332 11.00000 -1.20000 AFIX 0 C27 1 0.464278 0.264229 0.523899 11.00000 0.04345 0.05508 = 0.04421 -0.00030 0.00880 0.00023 C28 1 0.370897 0.258452 0.558305 11.00000 0.04501 0.06046 = 0.04438 -0.00366 0.01018 -0.00123 C29 1 0.340184 0.324268 0.598844 11.00000 0.05848 0.06817 = 0.09474 -0.01565 0.02995 -0.01070 AFIX 43 H29 5 0.379226 0.372334 0.605227 11.00000 -1.20000 AFIX 0 C30 1 0.252860 0.319603 0.629784 11.00000 0.06792 0.08399 = 0.10814 -0.02655 0.03949 -0.00074 AFIX 43 H30 5 0.233608 0.364861 0.655968 11.00000 -1.20000 AFIX 0 C31 1 0.194305 0.249694 0.622595 11.00000 0.04455 0.08808 = 0.07005 -0.00941 0.02189 -0.00618 C32 1 0.224078 0.182426 0.584746 11.00000 0.05786 0.07775 = 0.07924 -0.00762 0.02460 -0.02041 AFIX 43 H32 5 0.185710 0.133976 0.580328 11.00000 -1.20000 AFIX 0 C33 1 0.311284 0.187129 0.553291 11.00000 0.06017 0.06694 = 0.06797 -0.01354 0.02298 -0.00988 AFIX 43 H33 5 0.330658 0.141208 0.528018 11.00000 -1.20000 AFIX 0 C34 1 0.032082 0.193003 0.634269 11.00000 0.05864 0.15731 = 0.10506 -0.00585 0.02819 -0.02510 AFIX 137 H34A 5 0.010437 0.194852 0.580894 11.00000 -1.50000 H34B 5 -0.024540 0.204980 0.658734 11.00000 -1.50000 H34C 5 0.057925 0.138716 0.648665 11.00000 -1.50000 AFIX 66 PART 1 21.00 C35 1 0.670379 0.405542 0.556050 21.00000 0.05637 0.06184 = 0.08353 -0.00992 0.02054 -0.01076 C36 1 0.634199 0.486117 0.543841 21.00000 0.10262 0.06754 = 0.12989 -0.01777 0.01365 0.00658 AFIX 43 H36 5 0.572664 0.495741 0.512266 21.00000 -1.20000 AFIX 65 C37 1 0.689992 0.552309 0.578824 21.00000 0.13129 0.05947 = 0.12768 -0.01699 0.03192 -0.00756 AFIX 43 H37 5 0.665785 0.606220 0.570655 21.00000 -1.20000 AFIX 65 C38 1 0.781964 0.537926 0.626017 21.00000 0.13512 0.08581 = 0.16401 -0.00771 0.00620 -0.04131 AFIX 43 H38 5 0.819292 0.582213 0.649423 21.00000 -1.20000 AFIX 65 C39 1 0.818144 0.457351 0.638226 21.00000 0.11692 0.09242 = 0.20280 -0.01446 -0.05129 -0.04044 AFIX 43 H39 5 0.879680 0.447728 0.669801 21.00000 -1.20000 AFIX 65 C40 1 0.762353 0.391158 0.603243 21.00000 0.08185 0.06566 = 0.16452 -0.00353 -0.02771 -0.02262 AFIX 43 H40 5 0.786560 0.337248 0.611413 21.00000 -1.20000 AFIX 66 PART 2 -21.000 C35' 1 0.670345 0.407623 0.560108 -21.00000 0.05188 0.04902 = 0.06803 -0.00930 0.01626 -0.00758 C36' 1 0.681385 0.482609 0.524432 -21.00000 0.13796 0.06877 = 0.08400 0.00911 -0.00352 -0.02978 AFIX 43 H36' 5 0.648538 0.491035 0.475385 -21.00000 -1.20000 AFIX 65 C37' 1 0.741517 0.545001 0.562064 -21.00000 0.14550 0.06822 = 0.11521 -0.00133 0.00174 -0.03204 AFIX 43 H37' 5 0.748903 0.595171 0.538194 -21.00000 -1.20000 AFIX 65 C38' 1 0.790612 0.532408 0.635370 -21.00000 0.09456 0.06426 = 0.10555 -0.03540 0.01077 -0.03287 AFIX 43 H38' 5 0.830845 0.574153 0.660547 -21.00000 -1.20000 AFIX 65 C39' 1 0.779573 0.457423 0.671046 -21.00000 0.08920 0.08074 = 0.09336 -0.01552 0.00352 -0.01812 AFIX 43 H39' 5 0.812421 0.448998 0.720093 -21.00000 -1.20000 AFIX 65 C40' 1 0.719441 0.395030 0.633416 -21.00000 0.08186 0.07463 = 0.07599 0.00280 0.00404 -0.02142 AFIX 43 H40' 5 0.712055 0.344860 0.657285 -21.00000 -1.20000 AFIX 0 HKLF 4 REM mo_molan508e_400K_0m_a.res in P2(1)/n REM R1 = 0.0610 for 4435 Fo > 4sig(Fo) and 0.1326 for all 8445 data REM 494 parameters refined using 146 restraints END WGHT 0.0666 3.7920 REM Highest difference peak 0.308, deepest hole -0.304, 1-sigma level 0.055 Q1 1 0.5786 0.2785 0.4886 11.00000 0.05 0.31 Q2 1 0.7430 0.2782 0.4175 11.00000 0.05 0.29 Q3 1 0.7807 0.3448 0.4630 11.00000 0.05 0.27 Q4 1 0.5562 0.2709 0.4125 11.00000 0.05 0.26 Q5 1 0.7248 0.2002 0.3699 11.00000 0.05 0.26 Q6 1 0.7823 0.4170 0.5181 11.00000 0.05 0.25 Q7 1 0.7809 0.2669 0.4816 11.00000 0.05 0.25 Q8 1 0.6617 0.1468 0.3378 11.00000 0.05 0.24 Q9 1 1.0666 0.2603 0.4656 11.00000 0.05 0.24 Q10 1 0.3333 0.3816 0.5617 11.00000 0.05 0.23 Q11 1 0.7578 0.2726 0.3366 11.00000 0.05 0.22 Q12 1 0.6041 0.2059 0.5304 11.00000 0.05 0.22 Q13 1 0.3574 0.1281 0.4614 11.00000 0.05 0.21 Q14 1 0.6650 0.1534 0.5638 11.00000 0.05 0.21 Q15 1 0.7164 0.2669 0.5371 11.00000 0.05 0.21 Q16 1 0.6242 0.4222 0.4186 11.00000 0.05 0.20 Q17 1 0.5459 0.3498 0.4363 11.00000 0.05 0.20 Q18 1 0.6624 0.1599 0.4489 11.00000 0.05 0.20 Q19 1 0.7593 0.2082 0.2872 11.00000 0.05 0.20 Q20 1 0.0050 0.2857 0.6507 11.00000 0.05 0.20 ; _shelx_res_checksum 73212 _shelx_hkl_file ; -2 0 0 278.07 7.90 -2 0 0 263.47 7.80 2 0 0 272.17 7.80 2 0 0 250.67 7.80 3 0 0 -0.70 0.20 3 0 0 -0.70 0.30 -3 0 0 -1.00 0.30 -4 0 0 298.27 8.90 4 0 0 288.17 8.90 4 0 0 316.17 8.90 -4 0 0 301.07 8.90 -5 0 0 -0.10 0.40 -5 0 0 -0.10 0.50 5 0 0 0.00 0.40 5 0 0 -0.20 0.30 -6 0 0 487.45 14.30 -6 0 0 472.55 14.20 6 0 0 498.85 14.10 6 0 0 458.85 14.10 -7 0 0 0.90 0.50 7 0 0 0.40 0.50 7 0 0 1.30 0.60 -7 0 0 2.00 0.70 -8 0 0 56.29 2.50 8 0 0 49.80 2.10 -8 0 0 54.89 2.30 8 0 0 54.49 2.20 -9 0 0 0.40 0.90 9 0 0 -0.50 0.50 9 0 0 -0.60 0.80 -9 0 0 0.40 0.70 10 0 0 116.19 4.00 -10 0 0 113.99 4.50 10 0 0 113.09 3.90 -10 0 0 117.69 4.30 -11 0 0 0.20 1.20 -11 0 0 0.00 0.90 11 0 0 -0.50 0.80 11 0 0 -0.50 0.60 -12 0 0 6.40 1.50 12 0 0 7.10 0.80 12 0 0 8.80 0.90 12 0 0 9.90 1.00 -12 0 0 7.80 1.30 -13 0 0 -1.40 1.40 -14 0 0 0.20 1.90 -14 0 0 1.30 1.50 -15 0 0 -1.30 1.80 -15 0 0 2.30 1.70 -16 0 0 6.70 2.10 -16 0 0 12.60 2.20 -2 -1 0 713.23 21.60 2 -1 0 785.52 21.60 -2 -1 0 705.53 21.60 -2 1 0 791.12 21.60 -2 1 0 770.72 21.80 2 1 0 697.83 21.60 2 1 0 750.12 21.60 -3 -1 0 1378.86 39.60 3 -1 0 1325.27 39.50 3 -1 0 1449.65 39.60 -3 -1 0 1282.27 39.40 3 1 0 1331.37 39.70 -3 1 0 1371.76 39.70 -3 1 0 1450.75 39.80 3 1 0 1309.87 39.30 4 -1 0 6.30 0.60 4 -1 0 7.30 0.70 -4 -1 0 6.20 0.80 -4 -1 0 8.10 0.90 -4 1 0 7.10 0.70 4 1 0 7.40 0.70 -4 1 0 8.00 0.70 4 1 0 8.70 0.80 -5 -1 0 67.49 2.50 5 -1 0 76.49 2.40 -5 -1 0 72.79 2.60 5 -1 0 68.49 2.30 -5 1 0 70.09 2.40 5 1 0 69.09 2.50 5 1 0 72.29 2.50 -5 1 0 71.89 2.50 -6 -1 0 25.00 1.60 -6 -1 0 26.60 1.40 6 -1 0 28.40 1.30 6 -1 0 23.50 1.20 -6 1 0 23.80 1.40 6 1 0 23.90 1.30 6 1 0 26.10 1.40 -6 1 0 24.70 1.30 -7 -1 0 53.29 2.50 -7 -1 0 57.09 2.30 7 -1 0 55.29 2.10 7 -1 0 60.39 2.10 7 1 0 55.89 2.20 -7 1 0 57.39 2.20 7 1 0 57.39 2.30 -7 1 0 56.89 2.30 8 -1 0 2.90 0.50 -8 -1 0 3.00 0.70 8 -1 0 4.00 0.70 -8 -1 0 4.00 0.90 -8 1 0 3.40 0.90 8 1 0 2.40 0.60 8 1 0 3.60 0.80 -8 1 0 3.30 0.70 -9 -1 0 0.10 1.00 -9 -1 0 1.30 0.80 9 -1 0 0.00 0.50 9 -1 0 0.60 0.70 9 1 0 1.10 0.60 -9 1 0 1.30 0.70 -9 1 0 1.00 0.90 9 1 0 1.60 0.80 10 -1 0 39.20 1.80 -10 -1 0 39.80 2.40 10 -1 0 37.50 1.70 -10 -1 0 33.10 2.60 -10 1 0 40.80 2.30 -10 1 0 41.70 2.50 10 1 0 35.40 2.20 10 1 0 37.80 2.10 11 -1 0 0.20 0.50 -11 -1 0 -1.30 0.90 -11 -1 0 2.10 1.30 11 -1 0 0.00 0.60 11 1 0 -0.80 1.00 11 1 0 0.00 0.70 -11 1 0 0.30 0.90 -11 1 0 3.00 1.20 -12 -1 0 5.30 1.50 -12 -1 0 8.60 1.30 12 1 0 10.30 1.00 12 1 0 7.60 1.30 -12 1 0 8.90 1.30 -12 1 0 8.60 1.60 -13 -1 0 -2.40 1.40 -13 -1 0 -0.20 1.30 13 1 0 -1.00 1.00 -13 1 0 -0.60 1.40 -13 1 0 -1.20 1.40 13 1 0 -0.20 0.70 -14 -1 0 11.10 1.80 -14 1 0 11.70 1.80 -14 1 0 11.90 1.90 14 1 0 14.50 1.50 14 1 0 16.30 1.30 -15 -1 0 0.10 1.90 -15 -1 0 3.30 1.70 -15 1 0 -0.30 1.70 -15 1 0 -1.30 1.60 -16 -1 0 4.80 2.10 -16 -1 0 6.80 2.40 -16 1 0 8.00 2.10 -16 1 0 4.80 2.10 -1 -2 0 35.30 1.40 1 -2 0 35.90 1.30 1 2 0 32.70 1.40 2 -2 0 112.39 3.50 2 -2 0 114.09 3.50 -2 -2 0 121.29 3.70 -2 -2 0 119.19 3.70 2 2 0 117.69 3.60 -2 2 0 116.89 3.50 2 2 0 119.69 3.60 -2 2 0 119.59 3.50 -3 -2 0 1.10 0.40 -3 -2 0 0.70 0.40 3 -2 0 0.30 0.30 3 -2 0 0.70 0.20 -3 2 0 -0.20 0.30 3 2 0 1.10 0.40 3 2 0 0.40 0.40 -3 2 0 0.40 0.30 -4 -2 0 216.98 6.70 4 -2 0 209.68 6.50 4 -2 0 220.68 6.50 -4 -2 0 227.08 6.70 4 2 0 215.78 6.70 -4 2 0 215.38 6.50 -4 2 0 230.18 6.60 4 2 0 217.58 6.70 5 -2 0 106.99 3.40 -5 -2 0 109.19 3.70 5 -2 0 111.39 3.40 -5 -2 0 110.79 3.70 5 2 0 106.99 3.60 -5 2 0 107.59 3.50 5 2 0 109.99 3.60 -5 2 0 111.09 3.50 6 -2 0 58.39 2.00 -6 -2 0 54.99 2.40 -6 -2 0 56.89 2.30 6 -2 0 59.99 2.00 6 2 0 56.09 2.20 -6 2 0 58.59 2.10 6 2 0 54.69 2.20 -6 2 0 55.69 2.20 7 -2 0 151.98 4.50 -7 -2 0 144.59 5.00 -7 -2 0 145.49 4.80 7 -2 0 141.99 4.50 -7 2 0 146.39 4.70 7 2 0 142.79 4.80 -7 2 0 142.29 4.70 7 2 0 143.99 4.80 -8 -2 0 3.80 0.80 8 -2 0 4.80 0.50 8 -2 0 3.80 0.50 -8 -2 0 4.70 1.00 -8 2 0 3.80 0.70 -8 2 0 3.70 0.80 8 2 0 3.50 0.70 8 2 0 5.00 0.80 9 -2 0 1.20 0.40 -9 -2 0 1.40 1.00 9 -2 0 1.30 0.50 -9 -2 0 1.20 0.80 -9 2 0 1.60 0.90 9 2 0 0.70 0.70 9 2 0 3.20 0.90 -9 2 0 0.60 0.70 -10 -2 0 77.39 3.40 10 -2 0 73.19 2.40 -10 -2 0 75.09 3.60 10 -2 0 72.49 2.40 -10 2 0 75.09 3.20 -10 2 0 76.39 3.30 10 2 0 77.59 3.20 10 2 0 71.59 3.00 -11 -2 0 8.70 1.60 -11 -2 0 9.90 1.30 11 2 0 7.00 1.20 -11 2 0 8.50 1.20 11 2 0 6.90 1.00 -11 2 0 9.70 1.40 -12 -2 0 2.80 1.50 12 2 0 5.10 1.00 -12 2 0 5.00 1.10 -12 2 0 6.70 1.40 12 2 0 3.60 1.20 -13 -2 0 -0.80 1.50 -13 -2 0 0.30 1.30 13 2 0 -0.90 1.30 13 2 0 0.20 0.90 -13 2 0 0.80 1.30 -14 -2 0 5.70 1.90 -14 -2 0 3.10 1.60 -14 2 0 5.60 1.50 -14 2 0 2.30 1.60 14 2 0 2.90 1.20 -15 -2 0 -4.10 1.80 -15 -2 0 -0.70 1.70 15 2 0 2.50 1.00 15 2 0 1.20 0.70 15 2 0 1.20 0.60 -15 2 0 -1.10 1.50 -15 2 0 -0.80 1.60 -16 -2 0 5.30 2.10 -16 -2 0 2.80 2.20 -16 2 0 2.60 2.00 -16 2 0 6.20 2.00 0 -3 0 0.10 0.20 0 -3 0 0.30 0.30 0 3 0 -0.10 0.20 1 -3 0 73.29 2.30 -1 -3 0 73.19 2.40 -1 -3 0 75.79 2.50 1 -3 0 71.49 2.30 1 3 0 72.89 2.40 1 3 0 73.09 2.50 -1 3 0 74.59 2.40 -1 3 0 72.29 2.30 -2 -3 0 12.00 0.90 2 -3 0 10.80 0.60 -2 -3 0 12.50 0.90 2 -3 0 11.00 0.60 2 3 0 12.10 0.80 2 3 0 12.20 0.90 -2 3 0 10.40 0.70 -2 3 0 10.80 0.70 3 -3 0 9.40 0.50 3 -3 0 7.80 0.60 -3 -3 0 10.80 0.90 -3 -3 0 9.00 0.90 -3 3 0 8.50 0.70 -3 3 0 8.70 0.60 3 3 0 10.70 0.90 3 3 0 10.10 0.90 4 -3 0 138.99 4.20 4 -3 0 134.39 4.20 -4 -3 0 134.49 4.50 -4 -3 0 142.29 4.50 -4 3 0 143.69 4.30 -4 3 0 133.09 4.20 4 3 0 143.19 4.40 4 3 0 137.69 4.40 5 -3 0 18.60 0.90 5 -3 0 18.20 0.90 -5 -3 0 18.10 1.40 -5 -3 0 18.40 1.30 -5 3 0 19.40 1.10 5 3 0 19.00 1.30 5 3 0 19.90 1.30 -5 3 0 18.70 1.00 -6 -3 0 8.80 1.30 6 -3 0 8.50 0.70 -6 -3 0 7.80 0.90 6 -3 0 8.60 0.70 -6 3 0 9.20 1.00 6 3 0 5.80 0.70 6 3 0 9.00 0.90 -6 3 0 7.90 0.90 -7 -3 0 10.30 1.40 -7 -3 0 9.00 1.10 7 -3 0 10.70 0.70 7 -3 0 10.10 0.70 7 3 0 9.80 1.40 7 3 0 11.20 1.30 -7 3 0 10.70 1.20 -7 3 0 10.90 1.10 8 -3 0 2.80 0.40 -8 -3 0 1.60 0.90 8 -3 0 2.30 0.40 -8 -3 0 1.70 0.90 -8 3 0 3.30 0.70 8 3 0 1.50 0.70 -8 3 0 2.30 0.70 8 3 0 2.20 0.80 -9 -3 0 3.50 1.00 -9 -3 0 3.90 1.10 -9 3 0 5.20 0.90 9 3 0 3.90 0.90 -9 3 0 4.90 0.80 9 3 0 4.10 1.00 -10 -3 0 25.70 2.60 -10 -3 0 26.80 2.40 -10 3 0 24.90 2.10 10 3 0 20.70 2.10 -10 3 0 26.90 2.00 10 3 0 26.10 2.00 -11 -3 0 4.80 1.20 -11 -3 0 7.50 1.50 -11 3 0 6.80 1.20 11 3 0 4.50 1.20 -11 3 0 6.20 1.10 11 3 0 4.80 1.10 -12 -3 0 2.30 1.30 -12 -3 0 4.90 1.70 -12 3 0 3.00 1.10 12 3 0 3.50 1.00 -12 3 0 2.60 1.20 12 3 0 1.20 1.20 -13 -3 0 8.30 1.60 -13 -3 0 6.20 1.80 -13 3 0 7.80 1.50 13 3 0 6.90 1.20 13 3 0 5.00 1.40 -14 -3 0 4.60 1.90 -14 -3 0 7.70 1.80 14 3 0 5.60 1.20 -14 3 0 6.10 1.50 14 3 0 3.90 1.50 -14 3 0 4.80 1.60 -15 -3 0 7.20 2.00 -15 -3 0 4.70 2.10 -15 3 0 4.30 1.70 -15 3 0 0.40 1.70 15 3 0 6.90 1.10 15 3 0 1.50 1.70 -16 -3 0 -0.70 2.10 -16 -3 0 -4.30 2.20 -16 3 0 0.60 1.90 16 3 0 0.70 0.80 16 3 0 2.90 0.90 -16 3 0 -0.70 1.80 0 -4 0 4285.77 127.29 0 -4 0 4500.05 127.89 0 4 0 4373.76 127.79 0 4 0 4404.26 127.89 -1 -4 0 191.68 5.80 1 -4 0 192.58 5.70 1 -4 0 184.88 5.70 -1 -4 0 180.28 5.80 1 4 0 188.28 5.80 -1 4 0 188.48 5.80 -1 4 0 185.08 5.70 1 4 0 188.08 5.80 -2 -4 0 70.59 2.50 2 -4 0 70.39 2.30 2 -4 0 67.69 2.20 -2 -4 0 70.59 2.50 -2 4 0 67.29 2.30 2 4 0 70.39 2.50 -2 4 0 67.19 2.30 2 4 0 70.09 2.50 3 -4 0 2.10 0.30 -3 -4 0 2.10 0.60 3 -4 0 1.10 0.30 -3 -4 0 1.50 0.50 -3 4 0 1.70 0.30 -3 4 0 1.10 0.40 3 4 0 2.40 0.50 3 4 0 2.10 0.50 4 -4 0 81.99 2.70 4 -4 0 85.29 2.70 -4 -4 0 80.49 3.10 -4 -4 0 89.19 3.10 4 4 0 87.19 3.00 4 4 0 84.29 3.00 -4 4 0 85.19 2.80 -4 4 0 84.89 2.80 5 -4 0 4.00 0.60 -5 -4 0 3.90 0.70 5 -4 0 4.20 0.50 -5 -4 0 3.80 0.80 5 4 0 4.70 0.70 -5 4 0 4.80 0.60 5 4 0 4.10 0.70 -5 4 0 4.90 0.60 -6 -4 0 371.26 11.60 6 -4 0 372.16 11.00 6 -4 0 375.76 11.10 -6 -4 0 386.16 11.60 -6 4 0 381.56 11.30 6 4 0 380.66 11.50 6 4 0 371.26 11.40 -6 4 0 385.56 11.30 -7 -4 0 74.09 3.10 -7 -4 0 75.99 3.20 7 -4 0 85.29 2.50 7 4 0 75.29 3.00 -7 4 0 75.99 2.80 7 4 0 72.39 3.00 -7 4 0 76.69 2.80 -8 -4 0 1.80 0.90 -8 -4 0 4.10 1.10 8 4 0 2.40 0.90 -8 4 0 3.30 0.80 8 4 0 1.70 0.80 -8 4 0 3.20 0.70 -9 -4 0 1.60 1.10 -9 -4 0 0.70 1.00 9 4 0 1.20 0.90 9 4 0 0.30 0.80 -9 4 0 0.20 0.80 -9 4 0 0.10 0.70 -10 -4 0 36.30 2.60 -10 -4 0 30.60 2.80 -10 4 0 33.50 2.30 10 4 0 31.10 2.40 -10 4 0 35.40 2.20 10 4 0 31.40 2.40 -11 -4 0 10.50 2.00 -11 -4 0 7.60 1.70 11 4 0 7.00 1.30 -11 4 0 9.50 1.20 11 4 0 10.30 1.30 -12 -4 0 2.60 1.50 -12 -4 0 1.60 1.40 12 4 0 2.10 1.20 -12 4 0 2.80 1.10 -12 4 0 1.70 1.10 12 4 0 1.30 1.10 -13 -4 0 10.00 1.80 13 4 0 9.90 1.30 -13 4 0 10.50 1.60 13 4 0 10.80 1.60 -14 -4 0 -0.90 1.60 -14 -4 0 -2.50 1.80 14 4 0 1.70 1.40 14 4 0 0.20 1.20 -14 4 0 0.50 1.40 -14 4 0 -1.80 1.40 -15 -4 0 -2.90 1.80 -15 -4 0 2.00 2.30 -15 4 0 0.00 1.60 15 4 0 2.60 1.20 15 4 0 0.00 1.70 -15 4 0 -2.50 1.60 -16 -4 0 -2.10 2.00 -16 -4 0 2.00 2.50 -16 4 0 1.60 1.90 16 4 0 1.20 1.10 -16 4 0 -2.40 1.80 16 4 0 -3.70 1.90 0 -5 0 0.10 0.40 0 -5 0 0.30 0.40 0 5 0 0.50 0.40 0 5 0 0.00 0.50 1 -5 0 41.00 1.60 -1 -5 0 38.90 1.70 1 -5 0 40.00 1.60 -1 -5 0 37.50 1.70 -1 5 0 41.40 1.70 1 5 0 38.40 1.80 -1 5 0 38.30 1.60 1 5 0 38.10 1.70 2 -5 0 25.40 1.20 2 -5 0 25.90 1.10 -2 -5 0 26.20 1.50 -2 -5 0 26.20 1.40 2 5 0 24.10 1.40 2 5 0 25.90 1.40 -2 5 0 24.60 1.20 -2 5 0 26.60 1.30 3 -5 0 253.37 7.80 -3 -5 0 272.67 8.10 3 -5 0 268.77 7.80 -3 -5 0 260.07 8.20 -3 5 0 256.87 7.90 3 5 0 265.57 8.10 3 5 0 266.37 8.10 -3 5 0 259.87 7.90 4 -5 0 369.96 11.50 -4 -5 0 413.66 12.00 -4 -5 0 402.36 12.00 4 -5 0 393.26 11.60 -4 5 0 389.16 11.70 -4 5 0 395.86 11.70 4 5 0 413.76 11.90 4 5 0 377.96 11.90 5 -5 0 2.10 0.40 -5 -5 0 2.00 0.70 -5 -5 0 1.10 0.80 5 -5 0 2.40 0.30 -5 5 0 2.20 0.50 5 5 0 2.00 0.80 -5 5 0 2.20 0.50 5 5 0 0.70 0.70 -6 -5 0 1.50 0.80 6 -5 0 1.10 0.30 6 -5 0 1.00 0.30 6 -5 0 0.90 0.30 -6 -5 0 0.30 0.80 6 5 0 1.30 0.80 6 5 0 0.80 0.70 -6 5 0 1.50 0.50 -6 5 0 1.00 0.60 -7 -5 0 61.49 3.00 -7 -5 0 60.89 2.90 7 5 0 63.69 2.80 -7 5 0 66.09 2.50 7 5 0 60.69 2.80 -7 5 0 63.69 2.50 -8 -5 0 -1.70 0.90 -8 -5 0 -0.90 0.90 8 5 0 0.30 0.90 -8 5 0 -0.40 0.60 -8 5 0 -1.00 0.70 8 5 0 -0.90 0.70 -9 -5 0 -0.20 1.10 -9 -5 0 -1.10 1.00 9 5 0 1.20 0.90 9 5 0 -0.20 0.90 -9 5 0 -1.30 0.80 -9 5 0 -0.80 0.70 -10 -5 0 59.29 3.50 -10 -5 0 60.39 3.30 -10 5 0 60.69 2.90 10 5 0 56.09 3.10 10 5 0 60.99 3.10 -10 5 0 60.09 2.80 -11 -5 0 0.70 1.30 -11 -5 0 2.20 1.40 -11 5 0 1.50 1.00 11 5 0 2.60 1.20 -11 5 0 3.90 1.10 11 5 0 0.10 1.10 -12 -5 0 2.40 1.40 -12 -5 0 -0.60 1.50 12 5 0 0.20 1.30 -12 5 0 1.40 1.20 -12 5 0 1.60 1.10 12 5 0 1.30 1.20 -13 -5 0 14.60 2.00 -13 -5 0 13.20 2.10 -13 5 0 13.90 1.60 13 5 0 11.30 1.60 13 5 0 18.90 2.60 -13 5 0 9.60 1.80 -14 -5 0 0.70 2.00 -14 -5 0 1.10 1.80 14 5 0 1.10 1.30 -14 5 0 0.10 1.40 14 5 0 0.50 1.50 -14 5 0 0.50 1.50 -15 -5 0 0.00 2.10 -15 -5 0 3.10 2.10 15 5 0 4.40 1.40 -15 5 0 1.90 1.60 15 5 0 -1.50 1.70 -15 5 0 1.50 1.70 -16 -5 0 -0.10 2.50 -16 -5 0 -3.50 2.10 -16 5 0 -1.40 1.80 16 5 0 0.50 2.10 -16 5 0 -2.30 1.80 16 5 0 0.80 1.30 0 -6 0 160.08 5.10 0 -6 0 154.38 5.00 0 6 0 160.98 5.20 0 6 0 157.48 5.10 -1 -6 0 55.09 2.30 1 -6 0 59.09 2.20 1 -6 0 57.19 2.20 -1 -6 0 59.29 2.30 -1 6 0 57.69 2.20 1 6 0 55.99 2.30 1 6 0 57.79 2.40 -1 6 0 56.49 2.30 2 -6 0 3.40 0.50 -2 -6 0 2.80 0.70 -2 -6 0 2.80 0.60 2 -6 0 3.40 0.50 2 6 0 3.00 0.60 2 6 0 4.30 0.80 -2 6 0 3.50 0.60 -3 -6 0 1.60 0.80 3 -6 0 0.60 0.40 -3 -6 0 1.90 0.60 3 -6 0 1.00 0.40 3 6 0 1.60 0.70 3 6 0 0.80 0.60 -3 6 0 -0.20 0.50 -3 6 0 0.40 0.50 4 -6 0 161.18 5.10 -4 -6 0 167.38 5.50 -4 -6 0 166.78 5.60 4 -6 0 162.88 5.00 -4 6 0 166.88 5.20 4 6 0 163.68 5.50 -4 6 0 161.68 5.20 4 6 0 161.28 5.40 5 -6 0 22.30 1.00 -5 -6 0 21.90 1.80 -5 -6 0 18.40 1.90 5 -6 0 22.20 1.10 -5 6 0 22.40 1.40 5 6 0 20.50 1.80 -5 6 0 22.90 1.30 5 6 0 20.60 1.70 -6 -6 0 43.30 2.50 6 -6 0 43.00 1.50 6 -6 0 41.60 1.60 -6 -6 0 45.80 2.40 -6 6 0 41.90 1.90 6 6 0 43.90 2.30 -6 6 0 44.30 2.00 6 6 0 45.30 2.30 -7 -6 0 95.19 3.90 -7 -6 0 97.59 4.00 -7 6 0 99.49 3.50 7 6 0 96.89 3.80 7 6 0 97.39 3.80 -7 6 0 91.99 3.40 -8 -6 0 2.20 1.20 -8 -6 0 2.40 1.10 -8 6 0 2.30 0.80 8 6 0 0.70 0.90 -8 6 0 2.00 0.70 8 6 0 2.60 1.00 -9 -6 0 4.00 1.20 -9 -6 0 2.90 1.30 -9 6 0 2.40 0.90 -9 6 0 1.70 0.90 9 6 0 3.40 1.10 9 6 0 3.00 1.20 -10 -6 0 43.60 3.40 -10 6 0 49.70 2.70 10 6 0 45.30 3.00 -10 6 0 47.60 2.60 10 6 0 43.60 3.00 -11 -6 0 0.40 1.50 -11 -6 0 0.90 1.30 11 6 0 -0.70 1.20 -11 6 0 2.00 1.00 11 6 0 1.20 1.20 -11 6 0 2.60 1.10 -12 -6 0 1.40 1.50 -12 6 0 1.70 1.20 12 6 0 3.20 1.40 12 6 0 1.60 1.40 -12 6 0 1.70 1.10 -13 -6 0 4.10 1.70 -13 -6 0 10.20 2.20 13 6 0 6.50 1.60 13 6 0 4.40 1.40 -13 6 0 5.40 1.40 -13 6 0 7.30 1.50 -14 -6 0 1.10 1.80 -14 -6 0 -4.60 1.90 14 6 0 -0.30 1.40 14 6 0 0.10 1.60 -14 6 0 0.70 1.40 -14 6 0 1.20 1.40 -15 -6 0 -3.60 2.40 -15 -6 0 -2.70 2.00 -15 6 0 -3.10 1.60 -15 6 0 -1.30 1.60 15 6 0 -1.90 1.80 15 6 0 0.20 1.50 -16 -6 0 -2.50 2.60 -16 -6 0 -0.90 2.80 -16 6 0 0.90 1.90 -16 6 0 -4.00 1.70 16 6 0 -2.10 2.10 16 6 0 -0.60 1.50 0 -7 0 0.00 0.50 0 -7 0 0.30 0.60 0 7 0 -0.90 0.50 0 7 0 -0.20 0.60 1 -7 0 0.70 0.60 -1 -7 0 1.20 0.60 -1 -7 0 1.10 0.60 1 -7 0 0.80 0.50 -1 7 0 0.50 0.60 -1 7 0 1.40 0.60 1 7 0 1.30 0.60 1 7 0 0.80 0.70 2 -7 0 204.68 6.40 -2 -7 0 208.88 6.60 2 -7 0 206.98 6.40 2 7 0 207.58 6.70 -2 7 0 207.48 6.60 2 7 0 207.88 6.60 -2 7 0 201.68 6.50 -3 -7 0 198.78 6.40 3 -7 0 189.18 6.00 3 -7 0 191.68 6.00 -3 -7 0 195.78 6.50 3 7 0 196.88 6.40 -3 7 0 191.98 6.20 3 7 0 198.48 6.40 -3 7 0 194.68 6.20 -4 -7 0 135.09 4.90 4 -7 0 134.29 4.30 -4 -7 0 139.49 4.80 4 -7 0 140.79 4.40 -4 7 0 138.69 4.50 4 7 0 133.69 4.80 -4 7 0 137.79 4.60 4 7 0 133.89 4.80 5 -7 0 1.40 0.50 -5 -7 0 -1.30 1.00 -5 -7 0 0.40 0.80 5 -7 0 1.50 0.40 5 7 0 1.40 0.90 5 7 0 0.90 0.80 -5 7 0 1.80 0.60 -5 7 0 0.70 0.60 6 -7 0 -0.30 0.40 6 -7 0 0.20 0.30 -6 -7 0 0.40 0.90 -6 -7 0 -0.60 1.00 -6 7 0 -0.10 0.60 -6 7 0 -0.20 0.60 6 7 0 -1.00 0.80 6 7 0 -0.10 0.80 -7 -7 0 23.00 2.30 7 -7 0 18.10 0.80 -7 -7 0 21.90 2.20 -7 7 0 19.70 1.60 -7 7 0 19.70 1.60 7 7 0 19.80 2.00 7 7 0 20.70 2.00 -7 7 0 21.40 1.60 -8 -7 0 4.80 1.20 -8 -7 0 7.40 1.50 8 7 0 7.80 1.20 -8 7 0 7.70 1.10 8 7 0 7.30 1.30 -8 7 0 7.20 1.00 -9 -7 0 65.39 3.70 -9 -7 0 60.69 3.70 9 7 0 62.59 3.40 -9 7 0 62.89 2.90 -9 7 0 62.79 2.90 9 7 0 61.29 3.30 -10 -7 0 38.00 3.40 -10 -7 0 30.50 3.10 -10 7 0 35.20 2.40 10 7 0 34.90 3.00 -10 7 0 34.10 2.40 10 7 0 35.10 2.90 -11 -7 0 -0.30 1.50 -11 -7 0 0.60 1.40 11 7 0 1.50 1.40 -11 7 0 0.30 1.00 -11 7 0 2.30 1.10 11 7 0 0.90 1.30 -12 -7 0 2.70 1.70 -12 -7 0 1.00 1.90 -12 7 0 2.70 1.20 12 7 0 4.40 1.90 -12 7 0 3.20 1.30 12 7 0 2.80 1.40 -13 -7 0 8.00 2.30 -13 -7 0 9.60 2.10 -13 7 0 8.30 1.60 13 7 0 7.50 1.60 13 7 0 3.60 2.20 -13 7 0 9.50 1.60 -14 -7 0 4.40 2.00 -14 -7 0 0.90 2.40 14 7 0 1.20 1.80 -14 7 0 1.80 1.60 -14 7 0 1.10 1.50 14 7 0 1.60 1.60 -15 -7 0 -4.80 2.30 -15 -7 0 -0.50 2.20 15 7 0 2.20 1.70 15 7 0 -0.40 2.00 -15 7 0 -0.20 1.60 -15 7 0 2.00 1.70 0 -8 0 47.00 2.20 0 -8 0 49.60 2.30 0 8 0 49.30 2.30 0 8 0 49.60 2.40 -1 -8 0 94.59 3.50 1 -8 0 94.29 3.40 1 -8 0 95.89 3.50 -1 -8 0 90.69 3.60 1 8 0 98.69 3.70 -1 8 0 99.59 3.60 -1 8 0 91.99 3.50 1 8 0 93.49 3.50 -2 -8 0 11.20 1.50 -2 -8 0 7.00 1.00 2 -8 0 10.20 1.20 2 -8 0 10.40 1.20 -2 8 0 8.30 0.90 2 8 0 8.30 1.00 -2 8 0 9.20 1.00 2 8 0 11.30 1.70 -3 -8 0 3.50 1.00 -3 -8 0 1.40 0.80 3 -8 0 3.30 0.60 3 -8 0 2.60 0.60 3 8 0 2.80 0.80 -3 8 0 2.90 0.70 3 8 0 2.40 1.00 4 -8 0 92.59 3.20 4 -8 0 89.49 3.10 -4 -8 0 88.39 3.80 -4 -8 0 91.29 3.70 -4 8 0 93.99 3.50 -4 8 0 90.19 3.30 4 8 0 91.49 3.70 4 8 0 89.89 3.70 -5 -8 0 54.69 2.80 5 -8 0 53.59 2.10 -5 -8 0 54.09 3.00 5 -8 0 53.69 2.00 5 8 0 52.69 2.80 -5 8 0 56.89 2.40 5 8 0 56.09 2.80 -5 8 0 55.39 2.50 6 -8 0 1.50 0.50 6 -8 0 1.90 0.50 -6 -8 0 -0.40 1.10 -6 -8 0 2.00 1.00 6 8 0 0.40 0.90 -6 8 0 1.90 0.70 -6 8 0 1.90 0.80 6 8 0 2.40 1.00 -7 -8 0 93.39 4.10 7 -8 0 82.89 2.70 -7 -8 0 87.29 3.90 -7 8 0 87.69 3.40 7 8 0 89.39 3.80 -7 8 0 85.99 3.40 7 8 0 86.19 3.80 -8 -8 0 1.80 1.30 -8 -8 0 0.10 1.40 -8 8 0 0.00 0.80 8 8 0 1.30 1.20 -8 8 0 -0.40 0.90 8 8 0 0.60 1.20 -9 -8 0 9.40 1.80 -9 -8 0 8.00 1.50 -9 8 0 7.30 1.20 -9 8 0 10.80 1.30 9 8 0 6.90 1.40 9 8 0 11.30 1.60 -10 -8 0 13.20 1.80 -10 -8 0 12.30 2.00 10 8 0 10.90 1.80 -10 8 0 13.20 1.50 -10 8 0 19.70 2.20 10 8 0 13.20 1.70 -11 -8 0 42.20 3.90 -11 -8 0 39.10 3.60 11 8 0 43.00 3.30 11 8 0 42.30 3.80 -11 8 0 40.70 2.90 -11 8 0 38.50 2.70 -12 -8 0 -0.10 1.70 -12 -8 0 0.70 1.90 12 8 0 2.20 1.60 12 8 0 1.70 1.50 -12 8 0 -0.30 2.20 -12 8 0 0.50 1.20 -13 -8 0 8.80 2.20 -13 -8 0 8.90 2.40 -13 8 0 10.30 1.60 -13 8 0 10.30 1.70 13 8 0 10.60 1.80 13 8 0 7.60 1.90 -14 -8 0 -1.70 2.30 -14 -8 0 -3.20 2.00 14 8 0 1.60 1.70 14 8 0 0.00 1.90 -14 8 0 -1.00 1.50 -15 -8 0 -3.00 2.70 -15 -8 0 -2.90 2.40 -15 8 0 2.60 1.70 15 8 0 0.70 1.80 15 8 0 -0.20 2.10 -15 8 0 -0.60 1.90 0 -9 0 -0.50 0.70 0 -9 0 -0.50 0.60 0 9 0 0.00 0.80 0 9 0 -1.00 0.70 1 -9 0 5.50 0.90 -1 -9 0 6.10 1.00 -1 -9 0 5.40 1.00 1 -9 0 5.80 0.90 -1 9 0 4.10 0.90 1 9 0 4.10 1.00 1 9 0 4.70 0.90 -1 9 0 4.40 0.90 2 -9 0 7.30 0.90 2 -9 0 8.00 0.90 -2 -9 0 6.60 1.00 -2 -9 0 8.20 1.10 2 9 0 7.20 1.20 -2 9 0 6.50 1.00 -2 9 0 5.70 0.90 2 9 0 6.50 1.00 3 -9 0 239.58 7.40 -3 -9 0 238.58 7.90 3 -9 0 232.88 7.50 -3 -9 0 247.88 7.90 -3 9 0 245.88 7.70 3 9 0 236.18 7.90 -3 9 0 233.38 7.80 3 9 0 238.78 7.80 4 -9 0 52.09 2.20 -4 -9 0 49.10 2.80 4 -9 0 55.09 2.30 -4 -9 0 52.69 3.00 -4 9 0 52.79 2.60 4 9 0 53.49 2.90 -4 9 0 53.29 2.50 4 9 0 55.19 2.90 -5 -9 0 13.70 1.60 -5 -9 0 16.60 2.10 5 -9 0 16.00 1.20 5 -9 0 14.60 1.30 5 9 0 17.40 2.10 -5 9 0 15.00 1.70 -5 9 0 15.90 1.60 5 9 0 19.00 2.10 6 -9 0 0.20 0.50 6 -9 0 0.80 0.50 -6 -9 0 -0.60 1.20 -6 -9 0 0.00 1.00 6 9 0 2.20 1.10 -6 9 0 1.10 0.80 -6 9 0 0.20 0.80 6 9 0 0.40 1.10 7 -9 0 34.70 1.40 7 -9 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5.70 1.10 -1 10 0 4.80 1.00 1 10 0 6.90 1.30 -1 10 0 8.10 1.20 2 -10 0 1.00 0.70 -2 -10 0 0.50 0.90 2 -10 0 -0.70 0.70 -2 -10 0 0.10 0.90 -2 10 0 0.60 0.90 2 10 0 -0.80 0.90 -2 10 0 -0.10 0.80 2 10 0 -0.30 1.10 -3 -10 0 0.30 1.00 3 -10 0 0.50 0.60 -3 -10 0 -0.90 1.00 3 -10 0 -0.30 0.70 3 10 0 -0.90 0.90 3 10 0 0.40 1.20 -3 10 0 0.40 0.90 -3 10 0 0.30 0.90 -4 -10 0 1.40 1.20 4 -10 0 0.90 0.70 -4 -10 0 0.20 1.00 4 -10 0 1.20 0.60 -4 10 0 0.70 1.00 4 10 0 0.30 1.00 -4 10 0 1.30 0.90 4 10 0 0.80 1.10 -5 -10 0 105.09 4.50 -5 -10 0 100.99 4.30 5 -10 0 95.69 3.60 5 -10 0 98.19 3.50 5 10 0 104.19 4.30 5 10 0 103.89 4.30 -5 10 0 100.69 4.00 -5 10 0 100.99 3.90 -6 -10 0 11.70 1.70 -6 -10 0 11.30 1.50 6 -10 0 9.60 1.20 6 -10 0 11.70 1.10 -6 10 0 8.90 1.20 6 10 0 12.00 1.60 -6 10 0 8.70 1.20 6 10 0 12.90 1.60 -7 -10 0 13.90 1.80 7 -10 0 11.70 1.10 -7 -10 0 11.90 1.80 7 -10 0 13.20 1.00 -7 10 0 15.50 2.00 7 10 0 12.60 1.60 -7 10 0 14.40 2.00 7 10 0 13.30 1.70 -8 -10 0 1.30 1.40 -8 -10 0 -1.30 1.40 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11 0 5.40 1.70 -10 11 0 6.60 1.50 -11 -11 0 8.70 2.60 -11 -11 0 9.60 2.10 -11 11 0 8.50 1.70 -11 11 0 6.80 1.60 11 11 0 10.90 2.10 -12 -11 0 -0.80 2.10 -12 -11 0 2.10 2.60 -12 11 0 0.00 1.60 12 11 0 -4.40 2.10 12 11 0 -1.30 1.90 -12 11 0 -2.50 1.40 -13 -11 0 2.20 2.70 -13 -11 0 0.40 2.20 -13 11 0 -1.80 1.80 -13 11 0 0.10 1.80 13 11 0 3.60 2.20 13 11 0 1.70 2.30 -14 -11 0 -0.50 3.10 14 11 0 -1.10 2.40 14 11 0 4.70 2.20 -14 11 0 -3.10 1.70 -14 11 0 -1.60 2.00 0 -12 0 18.00 2.20 0 -12 0 14.30 1.50 0 12 0 13.50 1.60 0 12 0 19.40 2.50 -1 -12 0 -2.50 1.00 1 -12 0 0.60 1.00 1 -12 0 -0.80 0.90 -1 -12 0 -1.30 1.10 -1 12 0 0.40 1.20 1 12 0 -1.70 1.30 -1 12 0 0.90 1.10 1 12 0 -2.80 1.10 2 -12 0 -0.70 0.90 2 -12 0 -0.90 0.90 -2 -12 0 0.20 1.10 -2 12 0 -0.40 1.00 -2 12 0 -1.30 1.10 3 -12 0 1.00 0.90 3 -12 0 1.20 0.90 -3 -12 0 0.10 1.20 -3 -12 0 2.80 1.30 -3 12 0 0.40 1.20 -3 12 0 1.70 1.20 3 12 0 -2.00 1.30 3 12 0 -1.60 1.40 4 -12 0 4.00 1.00 4 -12 0 4.20 0.90 -4 -12 0 5.30 1.70 -4 -12 0 5.90 1.40 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7.00 1.00 -4 -11 3 6.60 1.50 4 -11 -3 7.30 0.70 4 11 -3 6.80 1.40 4 11 -3 8.00 1.70 -4 11 3 6.40 1.10 -4 11 3 5.80 1.10 -3 -11 3 1.80 1.20 3 -11 -3 1.20 0.70 3 -11 -3 1.10 0.60 -3 -11 3 -0.60 1.10 -3 11 3 2.00 1.00 3 11 -3 -1.30 1.10 -3 11 3 0.60 1.00 3 11 -3 -0.60 1.30 2 -11 -3 38.80 2.20 -2 -11 3 36.50 2.60 -2 -11 3 38.40 2.80 2 -11 -3 38.50 2.10 -2 11 3 37.70 2.60 2 11 -3 31.50 2.70 -2 11 3 36.70 2.50 2 11 -3 34.80 3.00 -1 -11 3 15.10 1.50 1 -11 -3 18.20 1.90 1 -11 -3 18.00 1.70 -1 -11 3 13.50 1.60 1 11 -3 16.60 1.80 -1 11 3 19.60 2.10 1 11 -3 16.20 1.60 -1 11 3 22.10 2.20 0 -11 3 13.70 1.50 0 -11 -3 14.80 1.50 0 -11 3 13.70 1.50 0 -11 -3 16.70 1.80 0 11 -3 11.20 1.70 0 11 -3 12.40 1.40 0 11 3 21.30 2.40 0 11 3 15.60 2.10 -1 -11 -3 10.20 1.30 1 -11 3 9.60 1.40 -1 -11 -3 13.70 1.90 1 -11 3 11.70 1.40 1 11 3 12.50 1.60 -1 11 -3 10.70 1.60 -1 11 -3 9.40 1.30 1 11 3 10.60 1.40 2 -11 3 3.40 1.10 -2 -11 -3 3.70 1.10 2 -11 3 4.20 1.10 -2 -11 -3 5.10 1.20 -2 11 -3 2.00 1.20 2 11 3 5.50 1.20 2 11 3 4.00 1.40 -2 11 -3 2.00 1.00 -3 -11 -3 7.20 1.30 3 -11 3 8.60 1.20 -3 -11 -3 7.20 1.40 3 -11 3 7.30 1.10 -3 11 -3 6.80 1.40 3 11 3 4.50 1.30 3 11 3 4.30 1.20 -3 11 -3 5.70 1.20 -4 -11 -3 90.09 4.00 -4 -11 -3 95.39 4.30 4 -11 3 93.19 3.80 4 -11 3 91.19 3.60 4 11 3 91.39 4.20 -4 11 -3 88.29 3.90 4 11 3 84.69 4.10 -4 11 -3 85.69 4.20 -5 -11 -3 16.70 2.00 5 -11 3 23.90 2.00 5 -11 3 24.30 2.30 5 11 3 20.80 3.00 5 11 3 25.40 2.70 -5 11 -3 19.20 2.30 -5 11 -3 25.70 2.70 -6 -11 -3 -2.10 1.20 -6 -11 -3 -0.20 1.50 6 -11 3 -0.60 0.90 6 -11 3 -1.50 0.80 6 11 3 -0.90 1.30 6 11 3 0.00 1.40 -6 11 -3 -1.30 1.10 -6 11 -3 -1.10 1.20 -7 -11 -3 -0.90 1.60 7 -11 3 -0.60 0.90 7 -11 3 -0.40 0.80 -7 11 -3 0.40 1.70 7 11 3 -0.20 1.30 7 11 3 0.00 1.40 -7 11 -3 -0.40 1.20 -8 -11 -3 0.10 1.80 8 -11 3 1.90 1.00 8 -11 3 0.80 0.80 -8 11 -3 0.10 1.30 -8 11 -3 3.90 1.50 8 11 3 -2.70 1.40 9 -11 3 5.00 0.90 -9 -11 -3 6.60 2.10 9 -11 3 2.80 1.00 -9 11 -3 5.60 1.60 9 11 3 5.60 1.90 -9 11 -3 1.70 1.50 -10 -11 -3 8.30 2.50 10 -11 3 10.40 1.40 10 -11 3 10.60 1.50 -10 -11 -3 5.80 1.90 10 -11 3 10.30 1.50 10 11 3 6.80 2.20 -10 11 -3 12.10 2.00 10 11 3 8.60 2.10 -10 11 -3 11.20 1.80 -11 -11 -3 -0.30 1.90 -11 -11 -3 0.40 2.50 11 11 3 2.90 2.20 -11 11 -3 -0.70 1.70 -11 11 -3 0.80 1.60 11 11 3 1.90 2.20 -12 -11 -3 3.50 2.30 -12 -11 -3 9.90 3.00 -12 11 -3 5.30 2.20 12 11 3 7.90 2.50 -12 11 -3 7.50 1.90 12 11 3 12.70 2.60 -13 -11 -3 -0.10 3.10 13 11 3 -3.00 2.40 13 11 3 2.10 2.30 -13 11 -3 -1.60 2.10 -13 11 -3 0.50 1.80 -14 -12 3 9.90 3.20 -13 -12 3 -3.20 2.40 -13 -12 3 1.30 2.90 13 12 -3 1.30 1.90 -13 12 3 1.40 1.70 13 12 -3 1.10 2.20 -13 12 3 0.70 1.50 -12 -12 3 5.30 2.40 -12 -12 3 4.70 2.70 -12 12 3 6.30 1.60 -12 12 3 6.00 1.60 12 12 -3 1.90 3.30 12 12 -3 6.60 2.00 -11 -12 3 4.20 2.20 -11 -12 3 2.60 2.30 -11 12 3 2.30 1.40 11 12 -3 2.20 1.80 -10 -12 3 9.80 2.40 -10 -12 3 6.80 2.00 10 12 -3 2.20 2.20 -10 12 3 3.70 1.40 -10 12 3 5.40 1.30 -9 -12 3 3.00 2.10 -9 -12 3 2.40 1.70 -9 12 3 4.10 1.30 -9 12 3 3.90 1.30 9 12 -3 3.80 1.80 -8 -12 3 2.20 1.80 -8 -12 3 1.70 1.30 8 12 -3 3.30 1.60 8 12 -3 3.10 1.70 -8 12 3 2.30 1.20 -8 12 3 3.80 1.20 -7 -12 3 7.80 1.90 7 12 -3 7.60 1.80 -7 12 3 5.70 1.20 -7 12 3 7.40 1.40 7 12 -3 10.50 1.70 -6 -12 3 2.50 1.40 -6 12 3 4.70 1.20 6 12 -3 6.60 1.50 -6 12 3 3.90 1.20 6 12 -3 3.00 1.50 5 -12 -3 6.20 0.80 -5 -12 3 5.10 1.50 5 -12 -3 6.70 0.90 -5 -12 3 7.50 1.70 -5 12 3 6.00 1.20 5 12 -3 6.10 1.40 -5 12 3 5.60 1.30 5 12 -3 7.40 1.70 4 -12 -3 14.00 1.40 -4 -12 3 10.10 1.60 -4 -12 3 11.50 2.20 4 -12 -3 13.20 1.20 -4 12 3 11.20 1.40 4 12 -3 10.40 1.50 -4 12 3 12.40 1.50 -3 -12 3 5.20 1.50 -3 -12 3 1.20 1.30 3 -12 -3 4.50 0.80 3 -12 -3 5.00 0.90 -3 12 3 4.50 1.20 -3 12 3 5.30 1.20 3 12 -3 3.30 1.80 -2 -12 3 -0.40 1.20 -2 -12 3 -2.00 1.20 2 -12 -3 -1.40 0.80 2 -12 -3 -0.50 0.80 -2 12 3 -1.50 1.00 -1 -12 3 -0.40 1.20 -1 -12 3 -1.20 1.20 1 -12 -3 3.70 1.00 1 -12 -3 1.60 1.00 1 12 -3 -1.80 1.30 1 12 -3 -0.90 1.30 -1 12 3 1.90 1.20 -1 12 3 2.50 1.10 0 -12 3 1.00 1.20 0 -12 3 -0.50 1.10 0 -12 -3 3.20 1.00 0 -12 -3 -1.30 1.20 0 12 -3 1.10 1.20 0 12 3 2.60 1.20 0 12 3 2.30 1.40 0 12 -3 1.00 1.50 -1 -12 -3 2.80 1.20 1 -12 3 1.70 1.20 1 -12 3 1.20 1.10 -1 -12 -3 0.90 1.20 1 12 3 2.30 1.20 -1 12 -3 0.80 1.30 1 12 3 2.70 1.50 -1 12 -3 2.30 1.30 2 -12 3 131.99 5.00 -2 -12 -3 127.19 5.20 2 -12 3 127.19 5.00 -2 -12 -3 129.19 5.10 2 12 3 131.29 5.20 2 12 3 133.59 5.40 -2 12 -3 122.99 5.00 -2 12 -3 126.39 5.40 -3 -12 -3 27.90 2.90 3 -12 3 37.80 2.50 -3 -12 -3 28.80 2.70 3 -12 3 36.90 2.70 3 12 3 28.20 2.90 -3 12 -3 32.20 3.00 -3 12 -3 35.40 2.80 -4 -12 -3 1.80 1.40 4 -12 3 3.50 1.20 4 -12 3 3.50 1.00 -4 12 -3 1.40 1.90 4 12 3 0.90 1.50 4 12 3 0.10 1.40 -4 12 -3 2.60 1.20 5 -12 3 -0.30 0.80 5 -12 3 -0.10 1.00 -5 -12 -3 -1.50 1.40 -5 -12 -3 -0.10 1.30 -5 12 -3 -1.00 1.80 -5 12 -3 0.40 1.10 5 12 3 -2.40 1.30 -6 -12 -3 9.10 1.80 -6 -12 -3 9.50 1.60 6 -12 3 9.70 1.30 6 -12 3 9.10 1.20 -6 12 -3 9.60 1.60 6 12 3 8.20 1.70 -6 12 -3 9.50 1.60 -7 -12 -3 3.30 2.30 7 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-0.20 1.60 12 13 -3 -2.90 1.80 -12 13 3 0.90 1.80 -11 -13 3 1.30 2.30 -11 -13 3 -1.00 2.50 11 13 -3 -1.30 1.80 11 13 -3 0.30 2.00 -11 13 3 0.50 1.60 -11 13 3 0.30 1.50 -10 -13 3 0.50 2.50 -10 -13 3 7.40 2.30 10 13 -3 4.90 2.20 -10 13 3 5.40 1.80 -10 13 3 2.80 1.40 10 13 -3 2.50 1.90 -9 -13 3 10.20 2.50 -9 -13 3 10.60 2.00 -9 13 3 10.40 1.50 9 13 -3 11.60 2.00 -8 -13 3 2.40 2.00 8 13 -3 5.70 1.80 -8 13 3 3.80 1.30 -8 13 3 4.80 1.50 -7 -13 3 9.50 2.10 -7 13 3 9.80 1.40 -7 13 3 8.20 1.60 -6 13 3 -0.50 1.10 6 13 -3 -1.00 1.60 6 13 -3 -2.10 1.40 -6 13 3 0.30 1.20 5 -13 -3 0.50 0.50 5 -13 -3 1.00 0.50 -5 -13 3 1.50 1.40 5 13 -3 -0.60 1.60 -5 13 3 2.00 1.20 5 13 -3 -1.00 1.20 -5 13 3 2.00 1.20 4 -13 -3 0.00 0.60 -4 -13 3 -0.50 1.30 -4 -13 3 0.50 1.30 4 -13 -3 -0.10 0.70 4 13 -3 -0.10 1.30 4 13 -3 -2.30 1.60 -4 13 3 0.60 1.20 -4 13 3 -0.30 1.10 3 -13 -3 1.20 0.80 3 -13 -3 1.90 0.90 -3 -13 3 2.30 1.40 -3 -13 3 1.80 1.30 3 13 -3 1.50 1.80 -3 13 3 1.50 1.20 3 13 -3 -2.10 1.30 -3 13 3 2.20 1.30 2 -13 -3 10.60 1.30 -2 -13 3 9.60 1.60 -2 -13 3 4.10 2.30 2 -13 -3 8.80 1.20 -2 13 3 11.60 1.50 -2 13 3 11.20 1.60 2 13 -3 7.40 1.90 2 13 -3 6.20 1.60 -1 -13 3 74.49 4.00 1 -13 -3 78.69 3.70 -1 -13 3 71.29 4.00 1 -13 -3 76.99 3.40 1 13 -3 68.69 4.00 1 13 -3 72.59 4.30 -1 13 3 76.39 4.10 0 -13 -3 82.29 3.80 0 -13 3 80.99 4.10 0 -13 3 80.49 4.20 0 13 3 86.19 4.10 0 13 3 82.49 4.30 0 13 -3 81.99 4.10 0 13 -3 77.39 4.50 1 -13 3 9.30 1.50 -1 -13 -3 6.40 1.40 -1 -13 -3 9.50 1.60 1 13 3 8.00 1.50 -1 13 -3 9.50 1.70 -1 13 -3 8.90 1.50 -2 -13 -3 -1.00 1.20 -2 -13 -3 -1.80 1.20 2 -13 3 1.40 1.20 2 -13 3 1.10 1.20 -2 13 -3 -1.90 1.40 2 13 3 -0.40 1.60 -2 13 -3 -0.30 1.20 3 -13 3 5.90 1.20 3 -13 3 8.10 1.40 -3 -13 -3 3.40 1.50 3 13 3 3.40 1.50 3 13 3 5.60 1.70 -3 13 -3 7.10 1.40 -3 13 -3 6.70 1.70 4 -13 3 -1.10 1.10 4 -13 3 -0.10 0.90 -4 -13 -3 -0.10 1.40 -4 -13 -3 -1.10 1.40 4 13 3 -0.50 1.30 -4 13 -3 0.80 1.30 4 13 3 -1.10 2.00 -4 13 -3 -1.40 1.40 -5 -13 -3 5.00 1.50 5 -13 3 5.40 1.30 5 -13 3 6.20 1.10 -5 -13 -3 5.20 1.70 -5 13 -3 7.10 1.50 -5 13 -3 8.80 1.80 5 13 3 7.40 2.70 6 -13 3 7.30 1.30 6 -13 3 9.60 1.20 -6 -13 -3 13.70 3.60 -6 13 -3 6.20 1.80 -6 13 -3 8.40 1.60 6 13 3 8.20 1.80 -7 -13 -3 1.00 1.90 7 -13 3 1.20 1.10 -7 -13 -3 4.10 3.00 7 -13 3 1.80 1.00 -7 13 -3 0.00 1.50 7 13 3 2.40 1.80 -7 13 -3 4.50 1.70 8 -13 3 0.50 1.10 -8 -13 -3 -0.10 2.00 -8 -13 -3 0.00 1.70 8 -13 3 1.50 0.90 -8 13 -3 0.30 1.80 -8 13 -3 1.50 2.10 8 13 3 0.80 1.80 8 13 3 3.70 2.10 -9 -13 -3 10.10 2.50 -9 -13 -3 8.20 2.10 9 -13 3 7.60 1.10 9 -13 3 7.30 1.00 -9 13 -3 10.10 1.90 9 13 3 13.00 2.50 9 13 3 5.20 2.00 -9 13 -3 10.20 2.10 -10 -13 -3 6.10 2.70 -10 -13 -3 2.60 2.20 10 -13 3 3.40 0.80 10 -13 3 2.80 0.60 10 13 3 4.60 2.40 -10 13 -3 6.30 2.20 -10 13 -3 6.20 1.90 10 13 3 1.20 2.10 -11 -13 -3 3.10 3.00 -11 -13 -3 3.20 2.40 11 13 3 -1.60 2.40 -11 13 -3 1.50 2.30 -11 13 -3 -0.50 1.80 -12 -13 -3 -0.40 3.10 12 13 3 -2.20 2.80 -12 13 -3 2.60 2.00 12 13 3 0.30 2.60 -12 13 -3 1.20 2.30 -12 -14 3 0.70 3.20 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11 9 -5 5.30 1.30 -10 -9 5 5.30 1.80 -10 -9 5 6.00 1.70 -10 9 5 5.50 0.90 10 9 -5 7.30 1.40 -10 9 5 5.20 0.90 10 9 -5 6.30 1.30 -9 -9 5 19.60 2.80 -9 -9 5 16.70 2.00 9 9 -5 21.90 2.30 9 9 -5 21.50 2.60 -9 9 5 19.70 1.60 -9 9 5 18.00 1.60 -8 -9 5 49.70 3.30 -8 9 5 43.30 2.20 8 9 -5 51.29 3.00 -8 9 5 44.20 2.20 8 9 -5 42.70 2.70 -7 -9 5 8.10 1.50 -7 -9 5 9.10 1.40 -7 9 5 10.70 1.40 -7 9 5 8.40 1.00 7 9 -5 7.20 1.30 7 9 -5 8.80 1.40 -6 -9 5 -0.90 1.00 -6 -9 5 -1.10 1.00 6 9 -5 0.40 1.00 -6 9 5 0.30 0.70 6 9 -5 0.30 1.10 -5 -9 5 11.20 1.50 -5 -9 5 7.40 1.20 5 9 -5 9.30 1.30 -5 9 5 8.80 0.90 5 9 -5 9.50 1.50 -5 9 5 12.80 1.50 -4 -9 5 13.20 1.40 -4 -9 5 9.90 1.30 -4 9 5 10.60 1.40 4 9 -5 9.00 1.20 4 9 -5 13.00 1.60 -4 9 5 11.60 1.50 -3 -9 5 -0.20 1.00 -3 -9 5 0.70 0.90 3 -9 -5 0.90 0.30 3 -9 -5 1.90 0.40 -3 9 5 0.70 0.70 -3 9 5 0.70 0.70 3 9 -5 0.00 1.10 3 9 -5 0.50 0.90 -2 -9 5 165.88 6.00 2 -9 -5 165.18 5.30 -2 -9 5 171.18 5.90 2 -9 -5 167.88 5.40 2 9 -5 167.88 5.80 -2 9 5 167.78 5.60 -2 9 5 172.08 5.70 2 9 -5 172.08 6.10 -1 -9 5 10.50 1.30 1 -9 -5 14.00 1.50 1 -9 -5 13.30 1.30 -1 -9 5 10.30 1.30 1 9 -5 10.90 1.50 -1 9 5 12.90 1.70 -1 9 5 12.80 1.30 1 9 -5 8.80 1.20 0 -9 -5 1.80 0.70 0 -9 5 -0.10 1.10 0 -9 -5 1.10 0.80 0 -9 5 -1.80 1.00 0 9 -5 1.00 1.10 0 9 -5 -1.20 0.90 0 9 5 1.30 0.80 0 9 5 1.90 1.00 -1 -9 -5 4.70 0.80 -1 -9 -5 4.90 1.00 1 -9 5 3.20 1.10 1 -9 5 2.90 1.20 -1 9 -5 6.40 1.20 -1 9 -5 2.70 1.00 1 9 5 5.40 1.10 1 9 5 6.30 1.10 2 -9 5 107.29 4.40 -2 -9 -5 119.59 4.50 2 -9 5 115.39 4.40 -2 -9 -5 116.99 4.30 2 9 5 112.19 4.40 -2 9 -5 111.79 4.40 2 9 5 115.29 4.40 -2 9 -5 117.79 4.60 3 -9 5 -0.10 0.80 -3 -9 -5 0.40 1.10 -3 -9 -5 0.50 0.80 3 -9 5 0.50 1.00 -3 9 -5 -0.50 1.00 3 9 5 0.50 1.00 3 9 5 0.30 1.00 -3 9 -5 -0.40 1.00 4 -9 5 24.80 2.00 4 -9 5 23.80 2.30 -4 -9 -5 25.70 2.50 -4 -9 -5 23.50 2.20 4 9 5 22.70 2.30 -4 9 -5 23.20 2.20 -4 9 -5 25.00 2.40 4 9 5 23.50 2.40 -5 -9 -5 0.60 1.10 5 -9 5 0.70 0.80 -5 -9 -5 0.40 1.30 5 -9 5 1.10 1.00 5 9 5 1.60 1.20 5 9 5 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24.40 2.60 -6 -10 5 23.50 2.70 -6 -10 5 22.20 2.60 -6 10 5 21.20 1.80 -6 10 5 23.30 1.90 6 10 -5 20.40 2.30 6 10 -5 22.90 2.60 -5 -10 5 0.20 1.00 -5 -10 5 0.00 1.10 5 10 -5 -1.30 1.20 5 10 -5 -0.40 0.90 -5 10 5 0.50 0.70 -5 10 5 -0.60 0.80 -4 -10 5 4.20 1.20 -4 -10 5 4.40 1.10 4 10 -5 2.60 1.10 4 10 -5 6.00 1.50 -4 10 5 4.90 1.00 -4 10 5 4.70 0.90 3 -10 -5 1.30 0.50 3 -10 -5 0.90 0.50 -3 -10 5 0.30 1.00 -3 -10 5 1.60 1.20 3 10 -5 1.00 1.30 -3 10 5 0.20 0.80 -3 10 5 0.50 0.90 3 10 -5 -0.80 1.00 2 -10 -5 6.70 0.90 -2 -10 5 5.40 1.30 2 -10 -5 9.20 1.20 -2 -10 5 6.60 1.30 2 10 -5 6.60 1.20 2 10 -5 7.00 1.40 -2 10 5 7.00 1.10 -2 10 5 7.30 1.10 1 -10 -5 5.80 1.00 -1 -10 5 3.90 1.10 1 -10 -5 6.50 0.90 -1 -10 5 4.80 1.20 1 10 -5 4.10 1.10 1 10 -5 6.20 1.30 -1 10 5 8.30 1.10 -1 10 5 8.20 1.20 0 -10 -5 95.29 3.90 0 -10 5 100.69 4.20 0 -10 5 93.49 4.10 0 -10 -5 104.29 3.70 0 10 -5 92.89 4.00 0 10 5 99.99 4.00 0 10 -5 102.09 4.40 0 10 5 103.79 4.00 1 -10 5 32.00 2.60 1 -10 5 30.00 2.50 -1 -10 -5 36.90 2.50 -1 -10 -5 36.20 2.20 1 10 5 38.20 2.50 -1 10 -5 34.60 2.70 1 10 5 41.50 2.60 -1 10 -5 29.60 2.40 -2 -10 -5 7.90 1.10 2 -10 5 6.50 1.20 -2 -10 -5 8.00 1.30 2 -10 5 5.60 1.30 2 10 5 8.70 1.30 2 10 5 9.50 1.40 -2 10 -5 6.10 1.20 -2 10 -5 5.80 1.40 -3 -10 -5 -0.10 0.90 -3 -10 -5 0.10 1.10 3 -10 5 0.10 1.10 3 -10 5 -0.20 0.80 3 10 5 1.00 1.10 -3 10 -5 0.00 1.20 3 10 5 0.50 1.10 -3 10 -5 1.90 1.10 -4 -10 -5 -0.10 1.30 4 -10 5 1.30 0.90 4 -10 5 1.00 1.10 -4 -10 -5 0.10 1.00 4 10 5 -1.90 1.10 -4 10 -5 1.40 1.20 -4 10 -5 2.10 1.10 4 10 5 1.50 1.20 -5 -10 -5 13.50 1.60 -5 -10 -5 12.80 1.90 5 -10 5 15.20 1.90 5 -10 5 17.50 2.30 5 10 5 11.30 1.70 -5 10 -5 12.50 1.70 5 10 5 8.20 2.10 -5 10 -5 14.40 1.60 -6 -10 -5 2.90 1.60 -6 -10 -5 5.30 1.40 6 -10 5 4.80 1.20 6 -10 5 4.00 1.00 -6 10 -5 3.80 1.30 6 10 5 3.10 1.50 6 10 5 3.80 1.50 -7 -10 -5 1.20 1.30 7 -10 5 2.30 1.20 -7 -10 -5 -0.70 1.60 7 -10 5 1.80 0.90 -7 10 -5 2.00 1.30 7 10 5 2.10 1.40 7 10 5 1.40 1.50 -7 10 -5 2.20 1.40 8 -10 5 3.80 1.00 -8 -10 -5 4.50 2.40 8 -10 5 4.00 1.30 -8 10 -5 2.50 1.50 -8 10 -5 2.80 1.40 8 10 5 0.10 1.70 9 -10 5 -2.00 0.80 9 -10 5 -0.10 1.20 -9 -10 -5 -1.60 1.90 -9 10 -5 -2.70 1.50 9 10 5 0.20 1.60 -9 10 -5 -2.40 1.50 -10 -10 -5 -1.90 2.10 10 -10 5 1.10 1.30 10 -10 5 1.00 0.90 -10 10 -5 0.30 1.70 10 10 5 -1.10 1.80 10 10 5 0.00 1.90 -10 10 -5 -0.30 1.50 -11 -10 -5 -4.40 2.30 11 -10 5 0.60 1.00 11 -10 5 1.40 1.20 -11 -10 -5 1.70 1.90 -11 10 -5 2.60 1.70 11 10 5 -1.80 2.00 -11 10 -5 -0.80 1.80 11 10 5 -2.90 1.90 -12 -10 -5 3.40 2.10 12 -10 5 5.80 1.20 12 -10 5 4.20 1.10 -12 -10 -5 3.80 2.70 -12 10 -5 4.80 2.20 12 10 5 3.00 2.20 12 10 5 3.70 2.50 -12 10 -5 6.30 2.00 -13 -10 -5 0.20 2.90 13 10 5 -4.40 2.40 -13 10 -5 -0.50 2.30 13 10 5 -3.40 2.40 -13 10 -5 3.20 2.10 -14 -11 5 4.40 3.00 -14 -11 5 4.80 3.00 14 11 -5 7.10 1.80 -14 11 5 4.20 1.70 14 11 -5 2.10 2.20 -14 11 5 9.40 1.60 -13 -11 5 -0.90 2.60 -13 -11 5 -2.90 2.10 -13 11 5 -0.30 1.30 -13 11 5 2.40 1.40 13 11 -5 -3.20 1.40 13 11 -5 0.40 2.00 -12 -11 5 0.90 2.00 -12 -11 5 -4.40 2.20 12 11 -5 0.30 1.80 -12 11 5 -0.70 1.20 -12 11 5 2.20 1.20 12 11 -5 2.30 1.50 -11 -11 5 2.80 1.90 -11 -11 5 0.40 2.10 -11 11 5 1.00 1.10 11 11 -5 2.10 1.60 -11 11 5 0.10 1.10 11 11 -5 1.60 1.40 -10 -11 5 1.50 1.70 -10 -11 5 2.40 1.90 -10 11 5 1.80 1.10 10 11 -5 4.00 1.40 10 11 -5 2.80 1.70 -10 11 5 3.40 1.10 -9 -11 5 2.20 1.80 -9 -11 5 0.60 1.50 9 11 -5 1.50 1.40 9 11 -5 1.00 1.50 -9 11 5 3.10 1.00 -9 11 5 0.50 1.00 -8 -11 5 69.09 4.30 -8 -11 5 69.99 4.10 8 11 -5 68.79 3.70 -8 11 5 66.19 3.10 8 11 -5 69.89 4.90 -7 -11 5 3.50 1.50 -7 -11 5 2.20 1.50 -7 11 5 0.20 1.00 7 11 -5 1.50 1.20 7 11 -5 2.80 2.30 -6 -11 5 -0.80 1.40 -6 -11 5 -0.10 1.30 -6 11 5 -2.10 0.90 -6 11 5 -0.10 0.90 6 11 -5 -0.30 1.20 6 11 -5 1.00 1.40 -5 -11 5 -1.40 1.20 -5 -11 5 -1.10 2.10 5 11 -5 -0.40 1.50 5 11 -5 0.40 1.10 -5 11 5 -1.10 0.90 -5 11 5 0.60 0.90 -4 -11 5 24.10 2.50 -4 -11 5 23.20 2.70 -4 11 5 23.60 2.10 4 11 -5 19.90 2.40 -4 11 5 21.50 2.10 4 11 -5 25.80 3.00 3 -11 -5 4.70 0.60 -3 -11 5 1.20 1.20 3 -11 -5 2.70 0.60 -3 -11 5 3.10 1.20 3 11 -5 4.60 1.60 3 11 -5 2.20 1.20 -3 11 5 3.10 1.10 -3 11 5 3.00 1.00 2 -11 -5 65.09 2.80 -2 -11 5 70.19 3.50 2 -11 -5 64.79 2.70 -2 -11 5 61.79 3.50 -2 11 5 68.29 3.20 2 11 -5 64.39 3.40 -2 11 5 67.99 3.30 2 11 -5 62.59 3.70 -1 -11 5 0.50 1.20 -1 -11 5 -2.50 1.10 1 -11 -5 1.10 0.70 -1 11 5 2.10 1.10 1 11 -5 -1.40 1.10 1 11 -5 1.00 1.20 -1 11 5 0.40 1.00 0 -11 -5 0.40 1.00 0 -11 5 -0.30 1.20 0 -11 5 -0.30 1.20 0 -11 -5 2.80 0.90 0 11 5 4.10 1.30 0 11 5 3.00 1.10 0 11 -5 0.20 1.20 0 11 -5 -0.90 1.10 1 -11 5 5.80 1.30 -1 -11 -5 4.80 1.30 1 -11 5 6.40 1.50 -1 11 -5 4.90 1.50 1 11 5 7.30 1.30 -1 11 -5 6.30 1.40 -2 -11 -5 181.28 6.30 2 -11 5 183.88 6.40 -2 -11 -5 183.18 6.60 2 -11 5 183.48 6.50 2 11 5 180.38 6.60 -2 11 -5 166.68 6.70 -2 11 -5 179.38 6.40 2 11 5 181.38 6.50 3 -11 5 6.20 1.10 -3 -11 -5 6.30 1.20 -3 -11 -5 6.10 1.50 3 -11 5 7.60 1.40 3 11 5 4.90 1.40 -3 11 -5 3.80 1.50 -3 11 -5 7.60 1.40 3 11 5 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12 -5 14.40 1.80 -8 12 5 12.50 1.60 -8 12 5 17.50 2.20 -7 -12 5 1.40 1.30 -7 -12 5 2.30 2.20 -7 12 5 -0.10 1.10 7 12 -5 0.90 1.20 -7 12 5 -0.80 1.10 7 12 -5 -0.80 1.50 -6 -12 5 32.70 3.30 -6 12 5 26.60 2.50 6 12 -5 33.40 2.80 6 12 -5 34.70 3.20 -6 12 5 32.20 2.50 -5 -12 5 2.80 1.40 -5 12 5 1.80 1.10 5 12 -5 3.10 1.20 5 12 -5 3.50 1.70 -5 12 5 1.20 1.10 -4 -12 5 8.50 1.50 4 -12 -5 11.50 0.70 4 -12 -5 12.10 0.90 -4 -12 5 11.80 1.70 -4 12 5 10.30 1.40 4 12 -5 13.90 2.40 4 12 -5 9.20 1.40 -4 12 5 10.50 1.40 3 -12 -5 2.00 0.70 -3 -12 5 1.90 1.50 3 -12 -5 1.30 0.60 -3 -12 5 1.90 1.30 -3 12 5 2.80 1.10 -3 12 5 1.50 1.10 3 12 -5 0.70 2.80 3 12 -5 0.40 1.20 -2 -12 5 0.40 1.30 2 -12 -5 1.60 0.90 -2 -12 5 -0.40 1.50 2 -12 -5 2.00 0.80 -2 12 5 1.50 1.10 2 12 -5 -1.20 1.10 -2 12 5 0.60 1.20 -1 -12 5 78.49 4.00 -1 -12 5 78.89 4.00 1 -12 -5 79.69 3.30 1 -12 -5 86.69 3.60 -1 12 5 92.99 4.10 1 12 -5 79.69 4.00 -1 12 5 77.79 3.70 0 -12 5 127.39 5.20 0 -12 -5 128.29 4.70 0 -12 5 124.39 5.20 0 -12 -5 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0.00 7 19 1 -0.14 0.00 -5 20 1 0.35 0.00 -2 0 2 56.84 0.00 0 0 2 60.78 0.00 -1 1 2 -58.65 0.00 0 1 2 -1.80 0.00 -17 2 2 0.33 0.00 -17 3 2 -0.24 0.00 16 6 2 0.50 0.00 15 9 2 -0.30 0.00 13 13 2 0.10 0.00 -12 15 2 -0.48 0.00 -11 16 2 0.10 0.00 -10 17 2 0.06 0.00 -7 19 2 0.25 0.00 -5 20 2 -1.43 0.00 -17 3 3 0.07 0.00 -17 4 3 -0.01 0.00 16 5 3 0.33 0.00 -16 8 3 0.39 0.00 14 11 3 -0.22 0.00 12 14 3 -0.57 0.00 -12 15 3 -0.10 0.00 -11 16 3 0.13 0.00 -10 17 3 -0.20 0.00 8 18 3 -0.45 0.00 -7 19 3 -0.27 0.00 4 20 3 0.43 0.00 16 2 4 -0.01 0.00 -17 3 4 0.04 0.00 16 3 4 -0.64 0.00 -17 4 4 -0.39 0.00 16 4 4 0.09 0.00 -16 8 4 -0.09 0.00 15 8 4 0.40 0.00 14 10 4 -0.44 0.00 -12 15 4 -0.14 0.00 11 15 4 0.14 0.00 -11 16 4 -0.06 0.00 10 16 4 -0.30 0.00 -10 17 4 -0.05 0.00 9 17 4 0.17 0.00 -7 19 4 -0.44 0.00 6 19 4 -0.38 0.00 -4 20 4 -0.64 0.00 3 20 4 -0.56 0.00 16 1 5 -0.07 0.00 -17 3 5 -0.27 0.00 -17 4 5 0.20 0.00 15 7 5 -0.12 0.00 -16 8 5 0.21 0.00 12 13 5 -0.71 0.00 -11 16 5 0.28 0.00 7 18 5 -0.20 0.00 -4 20 5 1.44 0.00 2 20 5 0.50 0.00 -17 3 6 0.03 0.00 15 5 6 -0.31 0.00 15 6 6 -0.88 0.00 14 9 6 -0.25 0.00 -15 10 6 0.47 0.00 13 11 6 0.65 0.00 -14 12 6 -0.13 0.00 11 14 6 0.46 0.00 8 17 6 0.06 0.00 -8 18 6 0.50 0.00 -3 20 6 -0.15 0.00 -2 20 6 -0.92 0.00 -1 20 6 0.36 0.00 0 20 6 -0.22 0.00 1 20 6 -0.26 0.00 -17 1 7 0.02 0.00 -17 2 7 -0.30 0.00 -17 3 7 -0.13 0.00 15 3 7 0.56 0.00 15 4 7 -0.44 0.00 14 8 7 0.26 0.00 -15 10 7 -0.25 0.00 13 10 7 0.08 0.00 12 12 7 -0.06 0.00 6 18 7 -0.81 0.00 4 19 7 -0.04 0.00 -17 1 8 -0.45 0.00 15 1 8 1.04 0.00 -17 2 8 0.01 0.00 14 6 8 0.11 0.00 -16 7 8 -0.06 0.00 14 7 8 0.95 0.00 13 9 8 0.12 0.00 12 11 8 -0.16 0.00 -13 13 8 0.07 0.00 11 13 8 0.01 0.00 -9 17 8 -0.24 0.00 7 17 8 0.25 0.00 -5 19 8 -0.52 0.00 3 19 8 0.14 0.00 14 4 9 0.13 0.00 14 5 9 0.95 0.00 13 8 9 0.52 0.00 -15 9 9 0.35 0.00 -14 11 9 0.22 0.00 -12 14 9 0.04 0.00 -11 15 9 0.02 0.00 -10 16 9 -0.30 0.00 -4 19 9 0.33 0.00 -3 19 9 0.20 0.00 1 19 9 -0.18 0.00 14 0 10 -1.05 0.00 14 1 10 -0.01 0.00 14 2 10 -0.46 0.00 14 3 10 -0.03 0.00 13 7 10 0.34 0.00 12 9 10 0.99 0.00 11 11 10 -0.31 0.00 9 14 10 0.86 0.00 8 15 10 -0.36 0.00 7 16 10 -0.07 0.00 -8 17 10 -1.04 0.00 -6 18 10 0.74 0.00 3 18 10 0.69 0.00 -16 4 11 0.57 0.00 13 4 11 -0.89 0.00 13 5 11 -0.31 0.00 -15 8 11 0.44 0.00 12 8 11 1.03 0.00 -14 10 11 -0.01 0.00 11 10 11 -0.14 0.00 10 12 11 -0.51 0.00 -12 13 11 0.32 0.00 -10 15 11 -0.67 0.00 6 16 11 0.01 0.00 -7 17 11 0.34 0.00 -4 18 11 -0.03 0.00 1 18 11 0.10 0.00 2 18 11 0.07 0.00 13 1 12 0.15 0.00 -16 2 12 -0.03 0.00 13 2 12 -0.35 0.00 -16 3 12 0.16 0.00 12 6 12 0.18 0.00 -15 7 12 0.70 0.00 12 7 12 0.36 0.00 11 9 12 -0.12 0.00 -13 11 12 -0.30 0.00 10 11 12 0.19 0.00 -8 16 12 -0.49 0.00 5 16 12 -0.05 0.00 -6 17 12 0.36 0.00 3 17 12 0.43 0.00 12 3 13 0.29 0.00 12 4 13 0.42 0.00 -15 6 13 0.55 0.00 11 7 13 -0.31 0.00 11 8 13 -0.22 0.00 10 10 13 0.64 0.00 -11 13 13 0.21 0.00 -10 14 13 -0.68 0.00 -7 16 13 -0.16 0.00 4 16 13 0.21 0.00 -4 17 13 0.21 0.00 0 17 13 0.17 0.00 1 17 13 -0.32 0.00 -15 4 14 0.68 0.00 11 5 14 0.24 0.00 11 6 14 -0.04 0.00 10 8 14 0.24 0.00 9 10 14 -0.66 0.00 -12 11 14 0.39 0.00 -9 14 14 0.66 0.00 4 15 14 0.94 0.00 -6 16 14 0.19 0.00 2 16 14 0.13 0.00 -15 0 15 0.06 0.00 11 0 15 -0.44 0.00 -15 1 15 0.11 0.00 11 1 15 0.09 0.00 11 2 15 -0.49 0.00 11 3 15 0.01 0.00 -14 6 15 -1.32 0.00 10 6 15 0.09 0.00 9 8 15 0.03 0.00 9 9 15 -0.24 0.00 -12 10 15 0.16 0.00 8 10 15 0.66 0.00 -8 14 15 -0.46 0.00 -6 15 15 0.10 0.00 -3 16 15 -0.10 0.00 -2 16 15 -0.45 0.00 -1 16 15 -0.26 0.00 10 0 16 -0.02 0.00 10 1 16 0.04 0.00 10 2 16 0.28 0.00 10 3 16 0.02 0.00 -14 4 16 0.00 0.00 10 4 16 0.15 0.00 9 6 16 -0.07 0.00 -13 7 16 -0.74 0.00 9 7 16 0.29 0.00 -12 9 16 -0.16 0.00 8 9 16 0.14 0.00 7 10 16 -0.61 0.00 -7 14 16 0.21 0.00 3 14 16 -1.48 0.00 -4 15 16 -0.38 0.00 -3 15 16 0.44 0.00 -1 15 16 -0.19 0.00 0 15 16 -0.46 0.00 9 2 17 0.17 0.00 9 3 17 -0.14 0.00 9 4 17 -0.30 0.00 -13 5 17 0.52 0.00 8 6 17 -0.02 0.00 8 7 17 -0.41 0.00 -12 8 17 -0.16 0.00 -11 9 17 0.59 0.00 7 9 17 0.00 0.00 6 10 17 0.42 0.00 4 12 17 1.23 0.00 -7 13 17 -0.12 0.00 3 13 17 -1.46 0.00 -5 14 17 0.48 0.00 -4 14 17 -0.87 0.00 0 14 17 -0.23 0.00 -13 1 18 0.00 0.00 -13 2 18 -0.38 0.00 8 2 18 -0.57 0.00 -13 3 18 -0.02 0.00 8 3 18 0.17 0.00 8 4 18 0.26 0.00 -12 6 18 1.10 0.00 7 6 18 0.12 0.00 7 7 18 0.45 0.00 -11 8 18 0.36 0.00 6 8 18 -0.64 0.00 -10 9 18 -0.74 0.00 5 10 18 -0.06 0.00 -8 11 18 0.56 0.00 4 11 18 0.39 0.00 -7 12 18 -0.44 0.00 2 12 18 -0.52 0.00 -5 13 18 -0.17 0.00 -4 13 18 -1.07 0.00 -1 13 18 -0.11 0.00 0 13 18 0.06 0.00 7 0 19 0.72 0.00 7 1 19 0.14 0.00 -12 2 19 0.13 0.00 7 2 19 0.71 0.00 -12 3 19 -0.28 0.00 7 3 19 -0.07 0.00 7 4 19 -0.02 0.00 -11 6 19 -0.47 0.00 6 6 19 -0.16 0.00 -10 8 19 -0.50 0.00 5 8 19 0.48 0.00 -9 9 19 0.33 0.00 4 9 19 -0.13 0.00 -8 10 19 0.28 0.00 3 10 19 0.09 0.00 -6 11 19 1.08 0.00 2 11 19 -0.29 0.00 -4 12 19 -0.94 0.00 -3 12 19 -0.24 0.00 -2 12 19 -0.37 0.00 -1 12 19 0.01 0.00 6 0 20 -0.37 0.00 -11 1 20 0.48 0.00 6 1 20 -0.33 0.00 -11 2 20 0.25 0.00 6 2 20 -0.60 0.00 -11 3 20 0.67 0.00 6 3 20 -0.05 0.00 5 4 20 -0.12 0.00 -10 5 20 0.10 0.00 5 5 20 0.28 0.00 -10 6 20 -0.18 0.00 -9 7 20 -0.17 0.00 4 7 20 -0.14 0.00 -8 8 20 0.60 0.00 3 8 20 0.24 0.00 -7 9 20 -0.82 0.00 2 9 20 -0.62 0.00 -6 10 20 0.87 0.00 0 10 20 -0.28 0.00 1 10 20 0.65 0.00 5 0 21 0.03 0.00 -10 1 21 -0.34 0.00 4 1 21 -0.30 0.00 -10 2 21 -0.16 0.00 4 2 21 -0.17 0.00 4 3 21 -0.65 0.00 -9 4 21 0.95 0.00 4 4 21 0.12 0.00 -9 5 21 -0.29 0.00 3 5 21 -0.15 0.00 -8 6 21 0.45 0.00 3 6 21 0.65 0.00 -7 7 21 -0.56 0.00 2 7 21 -0.70 0.00 -6 8 21 0.27 0.00 1 8 21 0.66 0.00 -4 9 21 -0.22 0.00 -3 9 21 0.46 0.00 -2 9 21 -0.23 0.00 -1 9 21 0.37 0.00 -8 0 22 -1.24 0.00 2 0 22 -0.28 0.00 -8 1 22 0.02 0.00 2 1 22 -0.06 0.00 3 1 22 0.19 0.00 -8 2 22 -1.27 0.00 2 2 22 -0.88 0.00 3 2 22 -0.06 0.00 -8 3 22 -0.13 0.00 2 3 22 -0.06 0.00 -7 4 22 0.65 0.00 2 4 22 -0.75 0.00 -7 5 22 -0.35 0.00 -6 5 22 -0.70 0.00 1 5 22 0.32 0.00 -6 6 22 0.44 0.00 -5 6 22 0.00 0.00 -1 6 22 -0.27 0.00 0 6 22 0.04 0.00 -4 7 22 0.34 0.00 -3 7 22 0.33 0.00 -2 7 22 0.14 0.00 -1 7 22 -0.01 0.00 -5 0 23 0.04 0.00 -3 0 23 -0.66 0.00 -1 0 23 -0.37 0.00 -6 1 23 -0.51 0.00 -5 1 23 0.12 0.00 -4 1 23 0.26 0.00 -3 1 23 0.20 0.00 -2 1 23 0.41 0.00 -1 1 23 0.60 0.00 0 1 23 -0.23 0.00 -6 2 23 -0.49 0.00 -5 2 23 0.16 0.00 -4 2 23 -0.21 0.00 -3 2 23 -0.04 0.00 -1 2 23 0.34 0.00 0 2 23 -0.72 0.00 -5 3 23 0.64 0.00 -4 3 23 -0.15 0.00 -3 3 23 0.09 0.00 -2 3 23 -0.25 0.00 -1 3 23 0.52 0.00 -4 4 23 -0.12 0.00 -3 4 23 0.16 0.00 -2 4 23 0.18 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 139 40 ' ' 2 0.500 0.000 1.000 139 40 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 1 0 1.997 0 2 0 2.528 -1 0 1 1.757 1 0 1 2.075 -1 1 1 2.165 0 1 1 1.703 1 1 1 2.430 0 2 1 2.774 -2 0 2 3.516 0 0 2 2.285 -1 1 2 2.827 0 1 2 2.611 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL mo_molan50P 21/nk_0m_a R = 0.10 CELL 13.3650 16.1160 18.1010 90.00 99.93 90.00 SPGR P21/n # Solvent Accessible Volume = 276 # Electrons Found in S.A.V. = 80 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.943 0.462 0.456 ! 2.60 eA-3 C102 0.484 0.935 0.969 ! 2.35 eA-3 C103 0.497 0.921 0.995 ! 2.14 eA-3 Q104 0.155 0.217 0.962 ! 0.73 eA-3 Q105 0.761 0.546 0.642 ! 0.59 eA-3 Q106 0.730 0.014 0.848 ! 0.54 eA-3 Q107 0.549 0.782 0.139 ! 0.54 eA-3 Q108 0.657 0.390 0.343 ! 0.51 eA-3 ) ; _shelx_fab_checksum 35692 data_mo_molan508e_425k_0m_a_sq _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' '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' 'Fe' 'Fe' 0.3463 0.8444 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.305(12) _cell_length_b 16.197(16) _cell_length_c 18.326(16) _cell_angle_alpha 90 _cell_angle_beta 100.07(4) _cell_angle_gamma 90 _cell_volume 3888(6) _cell_formula_units_Z 4 _cell_measurement_temperature 400(2) _cell_measurement_reflns_used 5405 _cell_measurement_theta_min 2.96 _cell_measurement_theta_max 23.79 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.221 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.431 _shelx_estimated_absorpt_T_min 0.776 _shelx_estimated_absorpt_T_max 0.966 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.3637 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 400(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 37825 _diffrn_reflns_av_unetI/netI 0.0889 _diffrn_reflns_av_R_equivalents 0.1568 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 2.957 _diffrn_reflns_theta_max 24.710 _diffrn_reflns_theta_full 24.710 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measured_fraction_theta_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.991 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_point_group_measured_fraction_full 0.991 _reflns_number_total 6574 _reflns_number_gt 3252 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 6574 _refine_ls_number_parameters 494 _refine_ls_number_restraints 146 _refine_ls_R_factor_all 0.2080 _refine_ls_R_factor_gt 0.1263 _refine_ls_wR_factor_ref 0.3648 _refine_ls_wR_factor_gt 0.3242 _refine_ls_goodness_of_fit_ref 1.815 _refine_ls_restrained_S_all 1.802 _refine_ls_shift/su_max 0.129 _refine_ls_shift/su_mean 0.004 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 Fe1 Fe 0.66668(9) 0.27596(7) 0.44824(7) 0.0703(5) Uani 1 1 d . . . . . O1 O 1.2292(5) 0.2544(5) 0.2537(4) 0.114(3) Uani 1 1 d . . . . . O2 O 0.1100(6) 0.2548(6) 0.6543(5) 0.139(3) Uani 1 1 d . . . . . N1 N 0.7154(4) 0.3340(4) 0.3684(4) 0.0666(18) Uani 1 1 d . . . . . N2 N 0.7994(5) 0.3189(4) 0.3427(4) 0.0665(18) Uani 1 1 d . . . . . N3 N 0.8635(5) 0.2075(4) 0.4320(4) 0.0618(17) Uani 1 1 d . . . . . N4 N 0.7847(5) 0.2054(4) 0.4661(3) 0.0609(17) Uani 1 1 d . . . . . N5 N 0.5500(5) 0.2046(4) 0.4363(4) 0.0637(17) Uani 1 1 d . . . . . N6 N 0.4719(5) 0.2059(4) 0.4710(4) 0.0615(17) Uani 1 1 d . . . . . N7 N 0.5296(5) 0.3268(4) 0.5501(4) 0.0721(19) Uani 1 1 d . . . . . N8 N 0.6112(5) 0.3405(4) 0.5211(4) 0.0662(18) Uani 1 1 d D . . . . C1 C 0.6574(6) 0.3981(5) 0.3252(6) 0.080(3) Uani 1 1 d . . . . . C2 C 0.5567(7) 0.4109(7) 0.3332(6) 0.098(3) Uani 1 1 d . . . . . H2 H 0.527626 0.376833 0.364727 0.118 Uiso 1 1 calc R U . . . C3 C 0.4990(8) 0.4731(8) 0.2953(8) 0.115(4) Uani 1 1 d . . . . . H3 H 0.431668 0.479870 0.301829 0.139 Uiso 1 1 calc R U . . . C4 C 0.5385(10) 0.5262(8) 0.2476(8) 0.126(5) Uani 1 1 d . . . . . H4 H 0.499262 0.568103 0.222256 0.151 Uiso 1 1 calc R U . . . C5 C 0.6369(10) 0.5138(7) 0.2399(8) 0.127(4) Uani 1 1 d . . . . . H5 H 0.665685 0.548403 0.208666 0.152 Uiso 1 1 calc R U . . . C6 C 0.6971(8) 0.4500(7) 0.2777(7) 0.119(4) Uani 1 1 d . . . . . H6 H 0.764078 0.442978 0.270560 0.142 Uiso 1 1 calc R U . . . C7 C 0.8688(6) 0.2624(5) 0.3767(5) 0.058(2) Uani 1 1 d . . . . . C8 C 0.9623(6) 0.2580(5) 0.3442(5) 0.060(2) Uani 1 1 d . . . . . C9 C 0.9625(6) 0.2735(5) 0.2674(5) 0.072(2) Uani 1 1 d . . . . . H9 H 0.901681 0.285535 0.235743 0.086 Uiso 1 1 calc R U . . . C10 C 1.0533(7) 0.2705(5) 0.2399(5) 0.073(2) Uani 1 1 d . . . . . H10 H 1.054015 0.281806 0.190263 0.088 Uiso 1 1 calc R U . . . C11 C 1.1428(7) 0.2505(6) 0.2875(6) 0.078(3) Uani 1 1 d . . . . . C12 C 1.1447(7) 0.2337(5) 0.3610(6) 0.076(2) Uani 1 1 d . . . . . H12 H 1.205773 0.221011 0.392007 0.091 Uiso 1 1 calc R U . . . C13 C 1.0553(7) 0.2359(6) 0.3880(6) 0.083(3) Uani 1 1 d . . . . . H13 H 1.056346 0.222261 0.437432 0.100 Uiso 1 1 calc R U . . . C14 C 1.3234(8) 0.2372(10) 0.2964(9) 0.159(6) Uani 1 1 d . . . . . H14A H 1.375995 0.245442 0.267404 0.239 Uiso 1 1 calc R U . . . H14B H 1.324573 0.180869 0.312929 0.239 Uiso 1 1 calc R U . . . H14C H 1.334795 0.273269 0.338629 0.239 Uiso 1 1 calc R U . . . C15 C 0.7899(6) 0.1371(5) 0.5167(5) 0.068(2) Uani 1 1 d . . . . . C16 C 0.8349(8) 0.0634(6) 0.5036(6) 0.098(3) Uani 1 1 d . . . . . H16 H 0.864470 0.055943 0.461672 0.117 Uiso 1 1 calc R U . . . C17 C 0.8348(10) -0.0020(6) 0.5572(8) 0.123(4) Uani 1 1 d . . . . . H17 H 0.864866 -0.052227 0.549187 0.148 Uiso 1 1 calc R U . . . C18 C 0.7932(10) 0.0070(8) 0.6176(7) 0.113(4) Uani 1 1 d . . . . . H18 H 0.794983 -0.036135 0.651326 0.135 Uiso 1 1 calc R U . . . C19 C 0.7469(8) 0.0817(8) 0.6300(6) 0.112(4) Uani 1 1 d . . . . . H19 H 0.716314 0.088195 0.671541 0.135 Uiso 1 1 calc R U . . . C20 C 0.7466(7) 0.1459(6) 0.5808(5) 0.087(3) Uani 1 1 d . . . . . H20 H 0.717064 0.195929 0.590119 0.104 Uiso 1 1 calc R U . . . C21 C 0.5488(5) 0.1341(5) 0.3882(4) 0.060(2) Uani 1 1 d . . . . . C22 C 0.5141(7) 0.0575(6) 0.4061(6) 0.091(3) Uani 1 1 d . . . . . H22 H 0.488993 0.050791 0.450006 0.109 Uiso 1 1 calc R U . . . C23 C 0.5164(9) -0.0081(6) 0.3599(8) 0.114(4) Uani 1 1 d . . . . . H23 H 0.496834 -0.059726 0.374809 0.137 Uiso 1 1 calc R U . . . C24 C 0.5471(8) -0.0009(7) 0.2908(7) 0.102(4) Uani 1 1 d . . . . . H24 H 0.543721 -0.045503 0.258464 0.122 Uiso 1 1 calc R U . . . C25 C 0.5825(8) 0.0753(7) 0.2726(6) 0.106(4) Uani 1 1 d . . . . . H25 H 0.607848 0.081459 0.228730 0.127 Uiso 1 1 calc R U . . . C26 C 0.5806(6) 0.1424(6) 0.3187(5) 0.076(2) Uani 1 1 d . . . . . H26 H 0.600540 0.193893 0.303929 0.091 Uiso 1 1 calc R U . . . C27 C 0.4656(6) 0.2653(5) 0.5222(5) 0.060(2) Uani 1 1 d . . . . . C28 C 0.3710(6) 0.2589(6) 0.5571(5) 0.067(2) Uani 1 1 d . . . . . C29 C 0.3398(8) 0.3272(7) 0.5952(7) 0.105(4) Uani 1 1 d . . . . . H29 H 0.377819 0.375730 0.599697 0.126 Uiso 1 1 calc R U . . . C30 C 0.2514(8) 0.3215(8) 0.6259(7) 0.126(5) Uani 1 1 d . . . . . H30 H 0.230731 0.366811 0.650634 0.151 Uiso 1 1 calc R U . . . C31 C 0.1955(7) 0.2522(7) 0.6207(6) 0.089(3) Uani 1 1 d . . . . . C32 C 0.2239(7) 0.1849(7) 0.5822(6) 0.098(3) Uani 1 1 d . . . . . H32 H 0.184407 0.137226 0.576525 0.118 Uiso 1 1 calc R U . . . C33 C 0.3118(6) 0.1902(6) 0.5526(5) 0.082(3) Uani 1 1 d . . . . . H33 H 0.331751 0.144220 0.528290 0.099 Uiso 1 1 calc R U . . . C34 C 0.0341(8) 0.1977(9) 0.6341(7) 0.131(5) Uani 1 1 d . . . . . H34A H -0.002829 0.210839 0.585653 0.196 Uiso 1 1 calc R U . . . H34B H -0.011677 0.198497 0.669139 0.196 Uiso 1 1 calc R U . . . H34C H 0.063719 0.143689 0.633252 0.196 Uiso 1 1 calc R U . . . C35 C 0.6722(17) 0.4074(12) 0.5567(12) 0.051(10) Uani 0.280(19) 1 d DG U P A 1 C36 C 0.6262(16) 0.4837(16) 0.562(2) 0.137(17) Uani 0.280(19) 1 d G U P A 1 H36 H 0.556181 0.489585 0.546628 0.165 Uiso 0.280(19) 1 calc R U P A 1 C37 C 0.685(2) 0.5510(12) 0.591(2) 0.125(15) Uani 0.280(19) 1 d G U P A 1 H37 H 0.653848 0.601988 0.594853 0.149 Uiso 0.280(19) 1 calc R U P A 1 C38 C 0.789(2) 0.5421(14) 0.614(2) 0.15(2) Uani 0.280(19) 1 d G U P A 1 H38 H 0.828429 0.587183 0.633771 0.182 Uiso 0.280(19) 1 calc R U P A 1 C39 C 0.8354(17) 0.4659(18) 0.609(3) 0.15(2) Uani 0.280(19) 1 d G U P A 1 H39 H 0.905345 0.459976 0.624462 0.185 Uiso 0.280(19) 1 calc R U P A 1 C40 C 0.7768(18) 0.3986(13) 0.580(2) 0.126(17) Uani 0.280(19) 1 d G U P A 1 H40 H 0.807679 0.347573 0.576237 0.151 Uiso 0.280(19) 1 calc R U P A 1 C35' C 0.6695(8) 0.4072(6) 0.5608(7) 0.086(6) Uani 0.720(19) 1 d DG U P A 2 C36' C 0.6744(12) 0.4831(8) 0.5262(6) 0.150(9) Uani 0.720(19) 1 d G U P A 2 H36' H 0.638317 0.491519 0.478543 0.180 Uiso 0.720(19) 1 calc R U P A 2 C37' C 0.7334(13) 0.5464(6) 0.5628(7) 0.172(11) Uani 0.720(19) 1 d G U P A 2 H37' H 0.736721 0.597174 0.539606 0.207 Uiso 0.720(19) 1 calc R U P A 2 C38' C 0.7874(9) 0.5338(6) 0.6339(7) 0.115(6) Uani 0.720(19) 1 d G U P A 2 H38' H 0.826856 0.576159 0.658427 0.138 Uiso 0.720(19) 1 calc R U P A 2 C39' C 0.7825(10) 0.4579(8) 0.6686(6) 0.134(7) Uani 0.720(19) 1 d G U P A 2 H39' H 0.818588 0.449489 0.716187 0.160 Uiso 0.720(19) 1 calc R U P A 2 C40' C 0.7235(11) 0.3946(6) 0.6320(7) 0.129(7) Uani 0.720(19) 1 d G U P A 2 H40' H 0.720184 0.343834 0.655126 0.154 Uiso 0.720(19) 1 calc R U P A 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Fe1 0.0601(8) 0.0750(9) 0.0821(9) -0.0041(7) 0.0299(6) -0.0044(6) O1 0.072(4) 0.158(7) 0.124(6) 0.031(5) 0.053(4) 0.018(4) O2 0.080(5) 0.196(8) 0.161(8) -0.052(6) 0.075(5) -0.017(5) N1 0.046(3) 0.063(4) 0.094(5) -0.008(4) 0.020(3) -0.009(3) N2 0.067(4) 0.057(4) 0.078(5) 0.004(4) 0.020(4) 0.001(3) N3 0.060(4) 0.056(4) 0.071(5) -0.006(3) 0.015(3) -0.006(3) N4 0.065(4) 0.061(4) 0.061(4) -0.001(3) 0.023(3) -0.008(3) N5 0.074(4) 0.059(4) 0.064(4) -0.003(3) 0.030(4) -0.004(3) N6 0.055(4) 0.071(4) 0.062(4) -0.011(3) 0.021(3) -0.006(3) N7 0.052(4) 0.087(5) 0.082(5) -0.009(4) 0.025(4) -0.009(4) N8 0.063(4) 0.058(4) 0.079(5) -0.008(3) 0.017(4) -0.010(3) C1 0.062(5) 0.060(6) 0.115(8) -0.007(5) 0.006(5) 0.003(5) C2 0.069(6) 0.103(8) 0.121(9) 0.022(7) 0.013(6) 0.022(6) C3 0.073(7) 0.116(9) 0.158(12) 0.007(9) 0.024(7) 0.027(7) C4 0.082(8) 0.110(10) 0.172(13) 0.015(9) -0.014(8) 0.021(7) C5 0.119(10) 0.083(8) 0.181(14) 0.034(8) 0.030(9) 0.006(7) C6 0.079(7) 0.103(9) 0.179(12) 0.056(9) 0.037(7) -0.006(6) C7 0.059(5) 0.053(5) 0.063(5) -0.002(4) 0.014(4) -0.007(4) C8 0.054(4) 0.064(5) 0.063(5) 0.007(4) 0.014(4) 0.011(4) C9 0.054(5) 0.094(7) 0.069(6) 0.000(5) 0.014(4) -0.002(4) C10 0.074(6) 0.090(7) 0.062(5) 0.008(5) 0.029(5) 0.007(5) C11 0.061(5) 0.091(7) 0.090(7) -0.003(5) 0.034(5) 0.002(5) C12 0.070(5) 0.073(6) 0.087(7) 0.015(5) 0.019(5) 0.007(4) C13 0.083(6) 0.094(7) 0.077(6) 0.016(5) 0.027(5) 0.007(5) C14 0.057(7) 0.239(17) 0.189(16) 0.015(12) 0.045(8) 0.013(8) C15 0.075(5) 0.057(5) 0.071(6) 0.005(4) 0.013(4) -0.008(4) C16 0.125(8) 0.064(6) 0.113(8) 0.014(6) 0.049(7) 0.012(6) C17 0.177(12) 0.056(7) 0.144(11) 0.012(7) 0.049(10) 0.014(7) C18 0.141(10) 0.092(9) 0.118(10) 0.019(7) 0.058(8) -0.022(7) C19 0.118(9) 0.132(10) 0.099(8) 0.028(8) 0.053(7) 0.002(8) C20 0.106(7) 0.078(6) 0.086(7) 0.016(5) 0.041(6) 0.005(5) C21 0.050(4) 0.060(5) 0.073(5) -0.001(4) 0.020(4) -0.007(4) C22 0.122(8) 0.061(6) 0.102(8) -0.007(5) 0.055(6) 0.000(5) C23 0.147(10) 0.057(7) 0.156(12) 0.006(7) 0.070(9) -0.010(6) C24 0.105(8) 0.077(7) 0.131(10) -0.045(7) 0.042(7) -0.014(6) C25 0.117(8) 0.099(8) 0.119(9) -0.016(7) 0.071(7) -0.014(7) C26 0.084(6) 0.073(6) 0.082(6) -0.011(5) 0.046(5) -0.012(5) C27 0.054(4) 0.071(6) 0.059(5) -0.008(4) 0.017(4) 0.000(4) C28 0.054(4) 0.085(6) 0.065(5) -0.019(5) 0.018(4) 0.001(4) C29 0.090(7) 0.106(8) 0.134(9) -0.025(7) 0.064(7) -0.014(6) C30 0.087(7) 0.139(11) 0.170(12) -0.051(9) 0.070(8) 0.008(7) C31 0.056(5) 0.129(9) 0.088(7) -0.027(6) 0.032(5) -0.027(6) C32 0.070(6) 0.119(8) 0.114(9) -0.037(7) 0.039(6) -0.026(6) C33 0.075(6) 0.091(7) 0.089(7) -0.016(5) 0.038(5) -0.018(5) C34 0.074(7) 0.197(13) 0.132(11) -0.024(9) 0.046(7) -0.037(8) C35 0.090(17) 0.047(15) 0.019(15) -0.022(13) 0.020(14) -0.020(13) C36 0.12(2) 0.056(15) 0.24(4) -0.042(17) 0.05(2) -0.008(13) C37 0.18(2) 0.051(15) 0.14(3) -0.004(18) 0.03(2) -0.025(15) C38 0.18(2) 0.087(18) 0.17(4) -0.04(2) 0.00(2) -0.037(17) C39 0.13(2) 0.091(18) 0.22(4) -0.05(2) -0.03(2) -0.044(14) C40 0.095(17) 0.068(18) 0.20(4) -0.04(2) -0.016(17) -0.024(13) C35' 0.060(9) 0.079(10) 0.124(13) 0.001(9) 0.029(8) -0.013(8) C36' 0.22(2) 0.089(10) 0.133(14) 0.009(8) -0.006(13) -0.053(10) C37' 0.25(2) 0.112(13) 0.139(12) -0.008(10) -0.012(14) -0.065(13) C38' 0.127(13) 0.100(10) 0.121(10) -0.027(8) 0.030(9) -0.040(9) C39' 0.143(14) 0.116(10) 0.137(13) -0.004(8) 0.011(11) -0.035(9) C40' 0.121(13) 0.111(11) 0.142(13) 0.007(9) -0.008(9) -0.028(9) _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 Fe1 N5 1.917(7) . ? Fe1 N4 1.923(7) . ? Fe1 N8 1.941(6) . ? Fe1 N1 1.944(7) . ? O1 C14 1.385(14) . ? O1 C11 1.400(10) . ? O2 C34 1.372(13) . ? O2 C31 1.385(10) . ? N1 N2 1.310(8) . ? N1 C1 1.444(11) . ? N2 C7 1.370(10) . ? N3 N4 1.311(8) . ? N3 C7 1.359(10) . ? N4 C15 1.438(10) . ? N5 N6 1.310(8) . ? N5 C21 1.441(10) . ? N6 C27 1.358(10) . ? N7 N8 1.308(8) . ? N7 C27 1.351(10) . ? N8 C35 1.440(9) . ? N8 C35' 1.449(7) . ? C1 C6 1.379(13) . ? C1 C2 1.389(12) . ? C2 C3 1.379(14) . ? C3 C4 1.393(16) . ? C4 C5 1.357(15) . ? C5 C6 1.412(15) . ? C7 C8 1.473(10) . ? C8 C13 1.399(12) . ? C8 C9 1.430(11) . ? C9 C10 1.388(10) . ? C10 C11 1.386(13) . ? C11 C12 1.370(13) . ? C12 C13 1.366(11) . ? C15 C16 1.375(12) . ? C15 C20 1.403(11) . ? C16 C17 1.446(14) . ? C17 C18 1.329(14) . ? C18 C19 1.394(15) . ? C19 C20 1.375(13) . ? C21 C22 1.382(11) . ? C21 C26 1.417(11) . ? C22 C23 1.363(13) . ? C23 C24 1.403(15) . ? C24 C25 1.383(14) . ? C25 C26 1.379(12) . ? C27 C28 1.511(10) . ? C28 C33 1.359(12) . ? C28 C29 1.408(12) . ? C29 C30 1.393(12) . ? C30 C31 1.340(14) . ? C31 C32 1.387(13) . ? C32 C33 1.374(11) . ? C35 C36 1.3900 . ? C35 C40 1.3900 . ? C36 C37 1.3900 . ? C37 C38 1.3900 . ? C38 C39 1.3900 . ? C39 C40 1.3900 . ? C35' C36' 1.3900 . ? C35' C40' 1.3900 . ? C36' C37' 1.3900 . ? C37' C38' 1.3900 . ? C38' C39' 1.3900 . ? C39' C40' 1.3900 . ? 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 N5 Fe1 N4 106.4(3) . . ? N5 Fe1 N8 90.3(3) . . ? N4 Fe1 N8 126.9(3) . . ? N5 Fe1 N1 125.1(3) . . ? N4 Fe1 N1 92.6(3) . . ? N8 Fe1 N1 118.3(3) . . ? C14 O1 C11 118.2(9) . . ? C34 O2 C31 118.9(9) . . ? N2 N1 C1 110.2(7) . . ? N2 N1 Fe1 126.7(5) . . ? C1 N1 Fe1 123.0(5) . . ? N1 N2 C7 120.8(7) . . ? N4 N3 C7 121.5(6) . . ? N3 N4 C15 112.0(6) . . ? N3 N4 Fe1 126.9(5) . . ? C15 N4 Fe1 120.9(5) . . ? N6 N5 C21 112.6(6) . . ? N6 N5 Fe1 129.1(5) . . ? C21 N5 Fe1 118.0(5) . . ? N5 N6 C27 119.8(6) . . ? N8 N7 C27 119.0(6) . . ? N7 N8 C35 112.8(11) . . ? N7 N8 C35' 109.4(7) . . ? N7 N8 Fe1 129.1(5) . . ? C35 N8 Fe1 117.7(10) . . ? C35' N8 Fe1 120.8(6) . . ? C6 C1 C2 117.3(9) . . ? C6 C1 N1 123.8(8) . . ? C2 C1 N1 118.8(9) . . ? C3 C2 C1 121.2(10) . . ? C2 C3 C4 121.9(10) . . ? C5 C4 C3 116.9(11) . . ? C4 C5 C6 122.1(12) . . ? C1 C6 C5 120.5(10) . . ? N3 C7 N2 131.1(7) . . ? N3 C7 C8 115.3(7) . . ? N2 C7 C8 113.4(7) . . ? C13 C8 C9 117.2(7) . . ? C13 C8 C7 120.3(8) . . ? C9 C8 C7 122.5(7) . . ? C10 C9 C8 120.1(8) . . ? C11 C10 C9 119.1(8) . . ? C12 C11 C10 122.0(8) . . ? C12 C11 O1 124.7(9) . . ? C10 C11 O1 113.2(9) . . ? C13 C12 C11 119.0(9) . . ? C12 C13 C8 122.5(9) . . ? C16 C15 C20 119.3(8) . . ? C16 C15 N4 121.9(8) . . ? C20 C15 N4 118.8(8) . . ? C15 C16 C17 117.7(10) . . ? C18 C17 C16 122.4(10) . . ? C17 C18 C19 119.4(11) . . ? C20 C19 C18 120.0(10) . . ? C19 C20 C15 121.2(9) . . ? C22 C21 C26 117.6(8) . . ? C22 C21 N5 122.3(7) . . ? C26 C21 N5 120.1(7) . . ? C23 C22 C21 120.5(9) . . ? C22 C23 C24 122.5(9) . . ? C25 C24 C23 117.2(9) . . ? C26 C25 C24 120.8(9) . . ? C25 C26 C21 121.1(8) . . ? N7 C27 N6 132.3(7) . . ? N7 C27 C28 114.0(7) . . ? N6 C27 C28 113.7(7) . . ? C33 C28 C29 117.1(8) . . ? C33 C28 C27 123.2(8) . . ? C29 C28 C27 119.7(8) . . ? C30 C29 C28 119.3(10) . . ? C31 C30 C29 121.7(10) . . ? C30 C31 O2 115.6(9) . . ? C30 C31 C32 119.7(8) . . ? O2 C31 C32 124.6(9) . . ? C33 C32 C31 118.6(9) . . ? C28 C33 C32 123.4(9) . . ? C36 C35 C40 120.0 . . ? C36 C35 N8 118.7(17) . . ? C40 C35 N8 121.1(16) . . ? C35 C36 C37 120.0 . . ? C38 C37 C36 120.0 . . ? C37 C38 C39 120.0 . . ? C40 C39 C38 120.0 . . ? C39 C40 C35 120.0 . . ? C36' C35' C40' 120.0 . . ? C36' C35' N8 119.6(9) . . ? C40' C35' N8 120.3(9) . . ? C37' C36' C35' 120.0 . . ? C36' C37' C38' 120.0 . . ? C37' C38' C39' 120.0 . . ? C40' C39' C38' 120.0 . . ? C39' C40' C35' 120.0 . . ? _refine_diff_density_max 1.151 _refine_diff_density_min -0.597 _refine_diff_density_rms 0.103 _shelx_res_file ; TITL mo_molan508e_425K_0m_a.res in P2(1)/n mo_molan508e_425k_0m_a_sq.res created by SHELXL-2018/1 at 13:51:39 on 22-Oct-2018 REM Old TITL mo_molan508e_425K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.320, Rweak 0.066, Alpha 0.090, Orientation as input REM Formula found by SHELXT: C37 N3 O8 Fe CELL 0.71073 13.3053 16.1965 18.3261 90.000 100.072 90.000 ZERR 4.000 0.0115 0.0159 0.0162 0.000 0.035 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C N O FE H UNIT 160 32 8 4 136 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP 126.900 SIZE 0.080 0.360 0.620 L.S. 5 0 19 shel 10 0.85 PLAN 5 dfix 1.44 0.01 N8 C35 N8 C35' rigu 0.002 C35 > C40 rigu 0.002 C35' > C40' isor 0.05 C35 > C40 isor 0.05 C35' > C40' ACTA ABIN WGHT 0.100000 FVAR 0.17594 0.27978 0.34708 FE1 4 0.666677 0.275964 0.448240 11.00000 0.06006 0.07503 = 0.08212 -0.00406 0.02987 -0.00441 O1 3 1.229241 0.254408 0.253667 11.00000 0.07197 0.15802 = 0.12446 0.03060 0.05327 0.01771 O2 3 0.110033 0.254769 0.654264 11.00000 0.07999 0.19625 = 0.16093 -0.05192 0.07499 -0.01723 N1 2 0.715369 0.334018 0.368357 11.00000 0.04562 0.06332 = 0.09351 -0.00815 0.01980 -0.00852 N2 2 0.799388 0.318852 0.342704 11.00000 0.06728 0.05678 = 0.07813 0.00410 0.02034 0.00063 N3 2 0.863481 0.207487 0.432040 11.00000 0.05967 0.05600 = 0.07102 -0.00643 0.01502 -0.00642 N4 2 0.784682 0.205383 0.466088 11.00000 0.06520 0.06139 = 0.06055 -0.00100 0.02290 -0.00785 N5 2 0.549981 0.204596 0.436269 11.00000 0.07417 0.05939 = 0.06378 -0.00292 0.02968 -0.00352 N6 2 0.471890 0.205873 0.470956 11.00000 0.05528 0.07089 = 0.06208 -0.01110 0.02085 -0.00556 N7 2 0.529591 0.326779 0.550101 11.00000 0.05209 0.08725 = 0.08163 -0.00945 0.02461 -0.00856 N8 2 0.611187 0.340516 0.521134 11.00000 0.06342 0.05847 = 0.07854 -0.00816 0.01739 -0.01040 C1 1 0.657411 0.398148 0.325179 11.00000 0.06163 0.05978 = 0.11457 -0.00701 0.00589 0.00302 C2 1 0.556661 0.410891 0.333222 11.00000 0.06896 0.10313 = 0.12067 0.02184 0.01256 0.02153 AFIX 43 H2 5 0.527626 0.376833 0.364727 11.00000 -1.20000 AFIX 0 C3 1 0.498956 0.473115 0.295338 11.00000 0.07292 0.11619 = 0.15844 0.00698 0.02364 0.02676 AFIX 43 H3 5 0.431668 0.479870 0.301829 11.00000 -1.20000 AFIX 0 C4 1 0.538495 0.526171 0.247618 11.00000 0.08180 0.10978 = 0.17241 0.01473 -0.01449 0.02081 AFIX 43 H4 5 0.499262 0.568103 0.222256 11.00000 -1.20000 AFIX 0 C5 1 0.636920 0.513783 0.239890 11.00000 0.11852 0.08284 = 0.18078 0.03436 0.02955 0.00581 AFIX 43 H5 5 0.665685 0.548403 0.208666 11.00000 -1.20000 AFIX 0 C6 1 0.697115 0.450039 0.277710 11.00000 0.07888 0.10259 = 0.17948 0.05566 0.03720 -0.00566 AFIX 43 H6 5 0.764078 0.442978 0.270560 11.00000 -1.20000 AFIX 0 C7 1 0.868754 0.262371 0.376716 11.00000 0.05918 0.05292 = 0.06331 -0.00185 0.01360 -0.00740 C8 1 0.962307 0.257955 0.344152 11.00000 0.05408 0.06354 = 0.06259 0.00673 0.01406 0.01099 C9 1 0.962501 0.273458 0.267363 11.00000 0.05418 0.09411 = 0.06881 0.00043 0.01428 -0.00237 AFIX 43 H9 5 0.901681 0.285535 0.235743 11.00000 -1.20000 AFIX 0 C10 1 1.053286 0.270519 0.239925 11.00000 0.07366 0.09040 = 0.06201 0.00781 0.02949 0.00655 AFIX 43 H10 5 1.054015 0.281806 0.190263 11.00000 -1.20000 AFIX 0 C11 1 1.142835 0.250545 0.287493 11.00000 0.06111 0.09110 = 0.09011 -0.00337 0.03442 0.00226 C12 1 1.144656 0.233725 0.361003 11.00000 0.06978 0.07339 = 0.08749 0.01479 0.01938 0.00743 AFIX 43 H12 5 1.205773 0.221011 0.392007 11.00000 -1.20000 AFIX 0 C13 1 1.055313 0.235924 0.388016 11.00000 0.08265 0.09389 = 0.07731 0.01552 0.02710 0.00697 AFIX 43 H13 5 1.056346 0.222261 0.437432 11.00000 -1.20000 AFIX 0 C14 1 1.323368 0.237176 0.296437 11.00000 0.05740 0.23871 = 0.18947 0.01526 0.04455 0.01338 AFIX 137 H14A 5 1.375995 0.245442 0.267404 11.00000 -1.50000 H14B 5 1.324573 0.180869 0.312929 11.00000 -1.50000 H14C 5 1.334795 0.273269 0.338629 11.00000 -1.50000 AFIX 0 C15 1 0.789947 0.137080 0.516726 11.00000 0.07498 0.05731 = 0.07107 0.00532 0.01323 -0.00816 C16 1 0.834948 0.063426 0.503599 11.00000 0.12529 0.06428 = 0.11339 0.01365 0.04929 0.01248 AFIX 43 H16 5 0.864470 0.055943 0.461672 11.00000 -1.20000 AFIX 0 C17 1 0.834775 -0.001986 0.557240 11.00000 0.17700 0.05615 = 0.14424 0.01231 0.04852 0.01415 AFIX 43 H17 5 0.864866 -0.052227 0.549187 11.00000 -1.20000 AFIX 0 C18 1 0.793216 0.007004 0.617633 11.00000 0.14055 0.09225 = 0.11771 0.01883 0.05801 -0.02245 AFIX 43 H18 5 0.794983 -0.036135 0.651326 11.00000 -1.20000 AFIX 0 C19 1 0.746937 0.081724 0.630005 11.00000 0.11838 0.13248 = 0.09858 0.02761 0.05339 0.00159 AFIX 43 H19 5 0.716314 0.088195 0.671541 11.00000 -1.20000 AFIX 0 C20 1 0.746581 0.145852 0.580779 11.00000 0.10638 0.07787 = 0.08564 0.01567 0.04133 0.00544 AFIX 43 H20 5 0.717064 0.195929 0.590119 11.00000 -1.20000 AFIX 0 C21 1 0.548763 0.134064 0.388172 11.00000 0.05002 0.05980 = 0.07280 -0.00089 0.01958 -0.00660 C22 1 0.514081 0.057530 0.406094 11.00000 0.12244 0.06131 = 0.10180 -0.00733 0.05470 -0.00050 AFIX 43 H22 5 0.488993 0.050791 0.450006 11.00000 -1.20000 AFIX 0 C23 1 0.516365 -0.008144 0.359906 11.00000 0.14655 0.05651 = 0.15554 0.00638 0.06988 -0.00962 AFIX 43 H23 5 0.496834 -0.059726 0.374809 11.00000 -1.20000 AFIX 0 C24 1 0.547051 -0.000895 0.290752 11.00000 0.10548 0.07696 = 0.13097 -0.04525 0.04165 -0.01425 AFIX 43 H24 5 0.543721 -0.045503 0.258464 11.00000 -1.20000 AFIX 0 C25 1 0.582458 0.075337 0.272587 11.00000 0.11697 0.09879 = 0.11943 -0.01591 0.07093 -0.01351 AFIX 43 H25 5 0.607848 0.081459 0.228730 11.00000 -1.20000 AFIX 0 C26 1 0.580589 0.142375 0.318681 11.00000 0.08408 0.07264 = 0.08236 -0.01056 0.04617 -0.01150 AFIX 43 H26 5 0.600540 0.193893 0.303929 11.00000 -1.20000 AFIX 0 C27 1 0.465566 0.265289 0.522249 11.00000 0.05354 0.07125 = 0.05866 -0.00756 0.01722 -0.00012 C28 1 0.370995 0.258935 0.557140 11.00000 0.05371 0.08473 = 0.06530 -0.01869 0.01790 0.00105 C29 1 0.339800 0.327240 0.595155 11.00000 0.09009 0.10550 = 0.13439 -0.02528 0.06393 -0.01359 AFIX 43 H29 5 0.377819 0.375730 0.599697 11.00000 -1.20000 AFIX 0 C30 1 0.251441 0.321458 0.625886 11.00000 0.08664 0.13861 = 0.17009 -0.05132 0.07017 0.00773 AFIX 43 H30 5 0.230731 0.366811 0.650634 11.00000 -1.20000 AFIX 0 C31 1 0.195482 0.252206 0.620713 11.00000 0.05559 0.12936 = 0.08802 -0.02713 0.03166 -0.02722 C32 1 0.223940 0.184913 0.582217 11.00000 0.06982 0.11892 = 0.11421 -0.03695 0.03945 -0.02561 AFIX 43 H32 5 0.184407 0.137226 0.576525 11.00000 -1.20000 AFIX 0 C33 1 0.311787 0.190158 0.552649 11.00000 0.07523 0.09055 = 0.08914 -0.01591 0.03802 -0.01758 AFIX 43 H33 5 0.331751 0.144220 0.528290 11.00000 -1.20000 AFIX 0 C34 1 0.034113 0.197662 0.634060 11.00000 0.07366 0.19747 = 0.13163 -0.02420 0.04616 -0.03666 AFIX 137 H34A 5 -0.002829 0.210839 0.585653 11.00000 -1.50000 H34B 5 -0.011677 0.198497 0.669139 11.00000 -1.50000 H34C 5 0.063719 0.143689 0.633252 11.00000 -1.50000 AFIX 66 PART 1 21.00 C35 1 0.672246 0.407435 0.556651 21.00000 0.09042 0.04744 = 0.01948 -0.02228 0.02046 -0.01979 C36 1 0.626164 0.483650 0.562228 21.00000 0.12285 0.05647 = 0.24020 -0.04243 0.05208 -0.00810 AFIX 43 H36 5 0.556181 0.489585 0.546628 21.00000 -1.20000 AFIX 65 C37 1 0.684680 0.550995 0.591122 21.00000 0.17887 0.05120 = 0.14293 -0.00381 0.02621 -0.02488 AFIX 43 H37 5 0.653848 0.601988 0.594853 21.00000 -1.20000 AFIX 65 C38 1 0.789278 0.542125 0.614439 21.00000 0.18167 0.08686 = 0.17488 -0.04362 -0.00158 -0.03693 AFIX 43 H38 5 0.828429 0.587183 0.633771 21.00000 -1.20000 AFIX 65 C39 1 0.835361 0.465910 0.608862 21.00000 0.13195 0.09058 = 0.22044 -0.05016 -0.02618 -0.04411 AFIX 43 H39 5 0.905345 0.459976 0.624462 21.00000 -1.20000 AFIX 65 C40 1 0.776847 0.398565 0.579968 21.00000 0.09522 0.06826 = 0.19999 -0.03715 -0.01569 -0.02414 AFIX 43 H40 5 0.807679 0.347573 0.576237 21.00000 -1.20000 AFIX 66 PART 2 -21.000 C35' 1 0.669494 0.407202 0.560780 -21.00000 0.06026 0.07916 = 0.12364 0.00096 0.02899 -0.01319 C36' 1 0.674449 0.483095 0.526174 -21.00000 0.21543 0.08888 = 0.13330 0.00947 -0.00637 -0.05281 AFIX 43 H36' 5 0.638317 0.491519 0.478543 -21.00000 -1.20000 AFIX 65 C37' 1 0.733406 0.546396 0.562759 -21.00000 0.24916 0.11205 = 0.13894 -0.00814 -0.01237 -0.06483 AFIX 43 H37' 5 0.736721 0.597174 0.539606 -21.00000 -1.20000 AFIX 65 C38' 1 0.787410 0.533805 0.633950 -21.00000 0.12750 0.09975 = 0.12070 -0.02707 0.03030 -0.04000 AFIX 43 H38' 5 0.826856 0.576159 0.658427 -21.00000 -1.20000 AFIX 65 C39' 1 0.782456 0.457913 0.668556 -21.00000 0.14314 0.11616 = 0.13657 -0.00443 0.01110 -0.03528 AFIX 43 H39' 5 0.818588 0.449489 0.716187 -21.00000 -1.20000 AFIX 65 C40' 1 0.723499 0.394611 0.631972 -21.00000 0.12130 0.11123 = 0.14232 0.00743 -0.00785 -0.02767 AFIX 43 H40' 5 0.720184 0.343834 0.655126 -21.00000 -1.20000 AFIX 0 HKLF 4 REM mo_molan508e_425K_0m_a.res in P2(1)/n REM R1 = 0.1263 for 3252 Fo > 4sig(Fo) and 0.2080 for all 6574 data REM 494 parameters refined using 146 restraints END WGHT 0.2000 0.0000 REM Highest difference peak 1.151, deepest hole -0.597, 1-sigma level 0.103 Q1 1 0.7201 0.2750 0.4249 11.00000 0.05 1.15 Q2 1 -0.0432 0.2752 0.6831 11.00000 0.05 0.61 Q3 1 0.7850 0.4125 0.5131 11.00000 0.05 0.53 Q4 1 0.2463 0.3589 0.5683 11.00000 0.05 0.48 Q5 1 0.3297 0.3712 0.5534 11.00000 0.05 0.46 ; _shelx_res_checksum 42964 _shelx_hkl_file ; 2 0 0 225.28 20.50 -2 0 0 220.18 20.50 -3 0 0 -0.70 0.40 3 0 0 -0.50 0.40 3 0 0 0.50 0.30 -3 0 0 0.80 0.30 -5 0 0 0.00 0.40 -5 0 0 0.10 0.60 5 0 0 -0.20 0.50 5 0 0 0.00 0.50 6 0 0 312.17 29.80 -6 0 0 321.47 29.80 -6 0 0 324.27 29.90 6 0 0 338.17 29.80 7 0 0 0.30 0.80 7 0 0 1.20 0.70 -7 0 0 0.50 1.00 8 0 0 39.20 3.80 -8 0 0 35.20 3.80 -9 0 0 -0.70 1.50 9 0 0 -1.70 1.10 9 0 0 -0.10 0.90 -9 0 0 0.10 0.70 10 0 0 56.69 5.50 10 0 0 44.60 5.80 -10 0 0 62.59 5.60 -11 0 0 -0.40 0.90 11 0 0 -0.50 1.40 -11 0 0 -1.10 2.20 11 0 0 0.50 1.10 -12 0 0 4.60 1.30 -12 0 0 0.40 3.10 12 0 0 2.20 1.60 12 0 0 3.60 1.30 -13 0 0 -3.40 3.10 13 0 0 -2.50 1.50 14 0 0 0.70 1.50 -14 0 0 1.10 3.80 15 0 0 0.90 1.00 -15 0 0 -4.10 4.50 -15 0 0 0.40 1.40 15 0 0 0.90 0.90 -16 0 0 -1.00 5.70 -16 0 0 3.40 1.70 2 -1 0 452.65 44.70 -2 -1 0 498.45 44.80 2 -1 0 498.65 44.80 -2 -1 0 480.75 44.80 -2 1 0 448.66 44.70 -2 1 0 505.75 44.80 2 1 0 529.15 44.80 2 1 0 492.55 44.80 3 -1 0 760.02 80.39 -3 -1 0 956.30 80.49 -3 -1 0 789.02 80.39 3 -1 0 868.71 80.39 3 1 0 981.40 80.49 3 1 0 881.31 80.39 -3 1 0 937.31 80.39 -3 1 0 845.62 80.39 -4 -1 0 3.60 0.70 4 -1 0 3.70 0.60 4 -1 0 2.40 0.60 -4 1 0 2.90 0.60 4 1 0 3.10 0.60 5 -1 0 48.70 4.90 5 -1 0 59.39 5.00 -5 -1 0 45.40 5.00 -5 -1 0 58.79 5.20 5 1 0 46.10 4.90 5 1 0 60.69 5.10 -5 1 0 49.50 4.90 6 -1 0 56.59 5.40 -6 -1 0 53.99 5.60 6 1 0 55.69 5.40 -7 -1 0 20.10 3.30 7 -1 0 29.80 2.90 -7 -1 0 28.60 3.00 -7 1 0 30.10 2.90 7 1 0 28.00 3.00 8 -1 0 0.50 0.80 8 -1 0 1.10 0.90 -8 -1 0 1.90 1.40 8 1 0 -0.30 1.00 -8 1 0 2.80 0.80 -8 1 0 -0.80 1.20 8 1 0 2.40 0.80 9 -1 0 -0.90 0.90 9 -1 0 0.40 1.10 -9 -1 0 0.80 0.80 -9 -1 0 1.00 1.60 -9 1 0 0.50 0.80 -9 1 0 0.10 1.50 9 1 0 -0.10 1.20 9 1 0 -1.10 0.90 -10 -1 0 23.40 3.00 10 -1 0 23.70 2.90 -10 1 0 23.70 2.90 10 1 0 23.00 2.90 11 -1 0 0.90 1.10 -11 -1 0 -1.60 2.20 -11 -1 0 -0.20 1.00 11 -1 0 1.00 1.30 -11 1 0 1.70 0.90 11 1 0 0.50 1.20 -11 1 0 4.00 2.20 11 1 0 -0.30 1.60 -12 -1 0 5.70 1.30 12 -1 0 2.00 1.20 -12 -1 0 0.50 4.50 12 -1 0 4.90 1.50 12 1 0 3.20 1.80 -12 1 0 2.80 2.70 12 1 0 3.50 1.40 -12 1 0 5.20 1.30 -13 -1 0 0.40 1.10 -13 -1 0 -4.00 3.10 -13 1 0 -0.50 1.10 -13 1 0 -5.10 3.00 13 1 0 -2.00 1.30 -14 -1 0 5.80 1.50 -14 -1 0 3.20 4.00 14 -1 0 3.80 0.90 14 1 0 6.30 1.90 14 1 0 0.70 1.50 -14 1 0 7.70 2.00 -14 1 0 2.40 3.80 -15 -1 0 0.00 1.50 -15 -1 0 2.60 4.70 15 1 0 2.20 1.60 -15 1 0 1.20 1.30 15 1 0 -0.10 1.50 -15 1 0 3.80 4.80 -16 -1 0 -0.60 5.70 -16 -1 0 5.20 1.80 -16 1 0 10.00 5.80 16 1 0 4.30 1.20 16 1 0 5.80 1.20 -16 1 0 4.00 1.70 -1 -2 0 26.10 2.40 1 -2 0 22.20 2.40 -1 2 0 21.90 2.40 1 2 0 25.60 2.40 -2 -2 0 81.79 7.40 2 -2 0 73.99 7.30 -2 -2 0 85.19 7.40 -2 2 0 73.39 7.40 2 2 0 82.89 7.40 2 2 0 79.89 7.40 -4 -2 0 79.89 7.20 4 -2 0 68.69 7.10 4 2 0 79.99 7.20 5 -2 0 55.89 5.90 -5 -2 0 57.29 6.10 5 -2 0 60.69 5.90 -5 -2 0 67.99 5.90 -5 2 0 68.09 5.90 -5 2 0 58.39 5.90 5 2 0 59.09 6.00 5 2 0 71.79 5.90 -6 -2 0 27.90 3.60 6 -2 0 32.30 3.20 6 2 0 37.90 3.30 6 2 0 30.30 3.50 -7 -2 0 99.09 9.20 7 -2 0 101.09 8.90 -7 -2 0 91.59 8.90 7 -2 0 90.39 8.90 7 2 0 95.99 8.90 7 2 0 91.39 9.10 8 -2 0 3.00 0.90 -8 -2 0 4.00 0.90 8 2 0 4.20 0.90 -8 2 0 4.20 0.80 8 2 0 6.50 1.30 -9 -2 0 1.20 0.80 -9 -2 0 1.10 1.70 9 2 0 0.80 1.00 -9 2 0 0.20 1.50 9 2 0 -0.90 1.30 -9 2 0 2.00 0.80 10 -2 0 28.00 3.20 10 -2 0 26.70 3.50 -10 -2 0 21.20 3.80 -10 -2 0 35.00 3.40 10 2 0 36.10 3.50 10 2 0 25.40 4.00 11 -2 0 3.30 1.00 11 -2 0 3.60 1.00 -11 -2 0 5.10 2.50 -11 -2 0 4.30 1.20 11 -2 0 2.60 1.20 11 2 0 1.30 1.80 -11 2 0 2.60 2.30 11 2 0 3.10 1.30 -11 2 0 5.20 1.10 12 -2 0 3.90 0.90 -12 -2 0 4.20 1.20 -12 -2 0 0.50 2.70 12 -2 0 1.90 1.00 -12 2 0 -0.30 2.50 12 2 0 1.00 1.40 12 2 0 0.00 1.90 -12 2 0 3.20 1.10 -13 -2 0 -0.60 1.20 -13 -2 0 -0.90 3.30 13 2 0 -3.10 1.90 -13 2 0 -4.00 3.20 13 2 0 -0.70 1.40 -13 2 0 1.10 1.10 -14 -2 0 3.00 1.40 -14 -2 0 2.30 4.10 14 2 0 -1.40 1.50 -14 2 0 1.70 3.70 14 2 0 3.90 2.20 -14 2 0 2.80 1.40 -15 -2 0 2.10 1.50 -15 -2 0 -0.70 4.90 -15 2 0 -0.20 1.30 15 2 0 0.80 1.70 15 2 0 1.00 2.10 -15 2 0 4.50 4.50 -16 -2 0 4.00 1.90 -16 -2 0 1.70 5.80 -16 2 0 -2.80 5.10 16 2 0 2.70 1.80 16 2 0 5.90 1.90 -16 2 0 2.30 1.60 0 -3 0 0.70 0.40 0 3 0 0.30 0.40 1 -3 0 37.30 3.80 -1 -3 0 43.60 3.90 1 3 0 44.10 3.90 -1 3 0 36.00 3.80 -2 -3 0 8.30 1.00 2 -3 0 6.60 1.00 -2 3 0 7.30 1.00 2 3 0 8.90 1.00 -3 -3 0 9.50 1.20 3 -3 0 7.50 1.10 -3 3 0 7.60 1.10 3 3 0 12.00 1.40 3 3 0 9.80 1.20 -4 -3 0 95.99 9.60 4 -3 0 118.79 9.60 -4 3 0 98.19 9.60 4 3 0 99.79 9.60 5 -3 0 17.30 1.80 -5 -3 0 18.20 2.30 -5 -3 0 15.10 1.80 5 3 0 16.30 2.00 -5 3 0 12.40 1.70 -5 3 0 19.20 2.00 5 3 0 15.40 1.80 6 -3 0 6.30 1.10 -6 -3 0 4.70 0.80 -6 -3 0 6.00 1.20 -6 3 0 4.10 0.80 6 3 0 4.90 0.90 -7 -3 0 3.70 0.80 7 -3 0 3.90 0.70 -7 -3 0 1.50 1.30 7 3 0 5.40 0.90 7 3 0 1.70 1.10 -7 3 0 1.40 1.10 -7 3 0 4.80 0.90 8 -3 0 0.50 0.70 8 -3 0 -0.50 0.70 -8 -3 0 0.00 1.50 -8 -3 0 1.30 0.70 -8 3 0 2.00 0.80 8 3 0 0.40 1.20 -8 3 0 -1.10 1.10 8 3 0 1.30 0.80 9 -3 0 0.00 0.80 9 -3 0 2.10 0.80 -9 -3 0 1.90 0.90 -9 -3 0 2.50 1.80 9 3 0 1.70 1.00 -9 3 0 2.80 0.80 9 3 0 0.80 1.40 -10 -3 0 13.20 2.80 -10 -3 0 12.10 2.40 10 -3 0 13.80 1.90 -10 3 0 17.70 2.20 10 3 0 18.00 3.20 -10 3 0 11.70 2.50 10 3 0 13.50 2.40 -11 -3 0 1.30 1.10 -11 -3 0 1.30 2.50 11 3 0 3.80 1.40 -11 3 0 3.10 2.20 11 3 0 -1.60 1.80 -12 -3 0 2.30 1.30 -12 -3 0 1.50 2.90 12 3 0 1.60 2.00 -12 3 0 1.60 1.10 12 3 0 1.70 1.40 -12 3 0 3.20 2.70 -13 -3 0 3.20 3.40 -13 -3 0 2.70 2.00 -13 3 0 3.10 1.30 -13 3 0 4.00 3.20 13 3 0 4.20 2.20 13 3 0 2.60 1.60 -14 -3 0 -0.20 4.10 -14 -3 0 4.70 1.60 14 3 0 0.90 1.60 14 3 0 4.40 2.50 -14 3 0 2.90 1.40 -14 3 0 1.40 3.80 -15 -3 0 0.70 1.60 -15 -3 0 3.00 5.00 15 3 0 1.90 1.80 15 3 0 1.60 2.40 -15 3 0 -6.80 4.30 -15 3 0 0.90 1.40 -16 -3 0 -2.20 1.70 -16 -3 0 0.80 6.10 -16 3 0 1.10 1.60 16 3 0 6.40 2.40 -16 3 0 -3.50 5.20 16 3 0 -1.10 1.90 0 -4 0 3029.20 291.57 0 -4 0 3265.57 291.37 0 4 0 3242.48 291.37 0 4 0 3182.08 291.67 -1 -4 0 169.88 15.20 1 -4 0 152.38 15.10 1 4 0 181.28 15.20 -1 4 0 152.18 15.10 -2 -4 0 49.60 5.20 2 -4 0 60.49 5.20 2 4 0 50.89 5.20 -2 4 0 58.09 5.20 -3 -4 0 18.20 2.20 3 4 0 18.60 2.20 4 -4 0 29.40 3.10 -4 -4 0 31.10 3.40 4 4 0 36.40 3.40 -5 -4 0 1.70 1.00 5 -4 0 2.60 0.60 5 -4 0 2.30 0.60 -5 -4 0 2.20 0.70 -5 4 0 3.00 0.60 5 4 0 1.80 0.90 5 4 0 3.10 0.60 -5 4 0 2.10 0.90 6 -4 0 241.58 21.90 6 -4 0 228.08 21.90 -6 -4 0 210.18 22.10 -6 -4 0 243.88 22.00 -6 4 0 236.48 22.00 -6 4 0 247.68 22.00 6 4 0 250.57 22.00 6 4 0 243.68 22.10 -7 -4 0 48.10 5.30 -7 -4 0 56.59 5.80 7 -4 0 61.39 5.20 7 -4 0 50.59 5.20 -7 4 0 53.29 5.20 7 4 0 50.99 5.30 7 4 0 53.89 5.60 -7 4 0 58.89 5.50 8 -4 0 -0.50 0.60 -8 -4 0 0.00 1.50 -8 -4 0 1.20 0.80 8 -4 0 1.40 0.60 -8 4 0 0.40 1.20 8 4 0 -0.40 1.20 -8 4 0 0.60 0.80 8 4 0 1.00 0.80 -9 -4 0 -2.60 1.70 -9 -4 0 -0.20 0.90 9 -4 0 -1.80 0.90 -9 4 0 -0.90 0.90 -9 4 0 -2.80 1.50 9 4 0 0.10 0.90 9 4 0 -1.90 1.40 -10 -4 0 10.80 2.90 -10 -4 0 21.30 2.70 -10 4 0 17.00 2.30 10 4 0 18.20 2.50 10 4 0 10.80 2.50 -11 -4 0 5.90 3.30 -11 -4 0 3.60 1.30 -11 4 0 6.70 2.30 -11 4 0 6.10 1.20 11 4 0 3.40 1.30 11 4 0 1.80 2.00 -12 -4 0 -1.50 3.00 -12 -4 0 1.10 1.20 -12 4 0 -0.90 2.60 12 4 0 2.10 1.40 12 4 0 -0.20 2.00 -12 4 0 1.80 1.10 -13 -4 0 9.10 3.60 -13 -4 0 7.10 1.70 -13 4 0 1.80 3.20 13 4 0 4.60 1.80 13 4 0 2.90 2.40 -13 4 0 5.80 1.50 -14 -4 0 0.60 1.50 -14 -4 0 -2.30 4.00 -14 4 0 -0.40 3.70 -14 4 0 -1.00 1.20 14 4 0 1.00 2.50 14 4 0 -1.00 1.70 -15 -4 0 3.70 5.00 -15 -4 0 3.00 1.70 15 4 0 -1.00 1.90 -15 4 0 -0.90 1.30 15 4 0 -1.70 2.60 -15 4 0 -4.40 4.20 -16 -4 0 -6.10 6.00 -16 -4 0 0.20 2.00 16 4 0 1.00 2.20 -16 4 0 -1.60 1.50 -16 4 0 1.60 5.30 16 4 0 5.50 2.80 0 -5 0 0.30 0.50 0 -5 0 -0.60 0.70 0 5 0 0.10 0.60 0 5 0 -0.20 0.30 -1 -5 0 24.20 2.70 1 -5 0 24.00 2.70 -1 -5 0 26.40 2.60 1 -5 0 25.20 2.60 1 5 0 26.50 2.70 -1 5 0 20.90 2.80 -1 5 0 27.70 2.70 1 5 0 26.60 2.60 -2 -5 0 18.80 2.20 -2 5 0 22.80 2.30 2 5 0 21.00 2.20 -3 -5 0 179.98 15.20 3 -5 0 142.29 15.00 -3 -5 0 176.88 15.10 3 -5 0 148.89 15.00 3 5 0 175.38 15.10 -3 5 0 153.78 15.00 3 5 0 180.88 15.20 -3 5 0 144.29 15.10 -4 -5 0 375.66 31.60 4 -5 0 314.77 31.50 4 5 0 366.36 31.60 -4 5 0 314.27 31.50 5 -5 0 1.80 0.60 -5 -5 0 0.50 0.70 -5 -5 0 1.40 1.00 -5 5 0 1.70 0.70 5 5 0 1.70 1.00 5 5 0 0.50 0.70 -6 -5 0 5.70 1.30 6 5 0 4.30 1.20 7 -5 0 23.50 2.30 -7 -5 0 20.00 3.20 7 -5 0 19.60 2.30 7 5 0 21.90 2.90 -8 -5 0 0.30 1.60 -8 -5 0 -1.00 0.80 8 5 0 -1.70 1.20 -8 5 0 -0.50 0.80 8 5 0 -0.30 0.80 -9 -5 0 -2.00 1.80 -9 -5 0 -0.70 0.90 9 5 0 -0.40 0.90 -9 5 0 -1.40 1.00 -10 -5 0 30.40 5.90 -10 -5 0 40.40 4.40 10 5 0 50.69 5.10 -10 5 0 40.10 4.20 10 5 0 30.50 4.30 -10 5 0 41.60 5.20 -11 -5 0 1.50 2.70 -11 -5 0 0.60 1.20 -11 5 0 1.70 1.10 11 5 0 -0.80 1.90 -11 5 0 2.70 2.40 11 5 0 1.70 1.20 -12 -5 0 0.40 1.20 -12 -5 0 -0.30 3.00 -12 5 0 -2.30 2.80 12 5 0 -0.40 1.30 12 5 0 4.60 2.30 -12 5 0 1.70 1.20 -13 -5 0 1.40 3.70 -13 -5 0 7.40 1.80 13 5 0 5.70 1.90 -13 5 0 8.00 1.50 13 5 0 6.20 2.50 -13 5 0 1.10 3.40 -14 -5 0 2.80 1.60 -14 -5 0 -2.70 4.10 -14 5 0 -4.20 3.80 14 5 0 -1.10 2.60 14 5 0 -0.80 2.20 -14 5 0 -0.80 1.20 -15 -5 0 -4.70 5.00 -15 -5 0 -1.00 1.70 -15 5 0 -4.40 4.70 15 5 0 5.90 3.00 -15 5 0 0.70 1.40 -16 -5 0 1.50 7.50 16 5 0 1.40 3.00 -16 5 0 -8.40 5.40 -16 5 0 -0.60 1.60 0 -6 0 103.59 10.50 0 6 0 122.49 10.50 0 6 0 109.39 10.40 1 -6 0 88.49 8.70 -1 -6 0 102.49 8.80 -1 6 0 84.69 8.80 1 6 0 95.99 8.80 2 -6 0 1.10 0.70 2 -6 0 0.00 0.70 -2 -6 0 1.50 0.80 -2 -6 0 1.70 0.50 2 6 0 0.50 0.80 -2 6 0 1.70 0.80 2 6 0 3.10 0.60 -2 6 0 0.00 1.00 -3 -6 0 46.20 4.80 3 6 0 46.60 4.70 -4 -6 0 54.59 5.90 4 6 0 61.99 5.90 -5 -6 0 4.10 1.30 5 -6 0 6.60 0.90 5 -6 0 3.80 0.90 5 6 0 5.80 1.30 -5 6 0 8.50 1.50 6 -6 0 17.10 2.10 -6 -6 0 17.70 3.00 6 -6 0 15.30 2.10 6 6 0 22.30 2.80 -6 6 0 22.70 2.40 7 -6 0 55.89 5.80 -7 -6 0 61.39 6.10 7 -6 0 70.29 5.90 -7 -6 0 65.29 6.60 -7 6 0 59.89 6.00 7 6 0 61.79 6.10 -7 6 0 56.29 6.20 7 6 0 62.69 6.40 -8 -6 0 3.30 1.70 -8 -6 0 2.80 1.00 -8 6 0 6.50 1.70 -8 6 0 1.60 1.00 8 6 0 1.20 0.90 -9 -6 0 1.70 1.10 -9 -6 0 0.30 2.00 9 6 0 1.20 1.60 -9 6 0 -0.80 1.80 -9 6 0 2.10 1.10 9 6 0 4.10 1.10 -10 -6 0 28.10 3.50 -10 6 0 30.20 3.40 10 6 0 22.10 4.30 10 6 0 24.30 3.50 -11 -6 0 0.20 1.20 -11 -6 0 3.60 2.70 11 6 0 0.70 2.00 -11 6 0 4.20 2.60 -11 6 0 2.80 1.20 11 6 0 -0.30 1.30 -12 -6 0 4.00 3.10 -12 -6 0 1.30 1.40 -12 6 0 -1.50 3.50 -12 6 0 -1.30 1.20 12 6 0 1.70 1.40 12 6 0 2.60 2.20 -13 -6 0 4.50 1.70 -13 6 0 1.30 3.50 13 6 0 5.80 2.60 -13 6 0 6.40 1.50 13 6 0 6.90 2.70 -14 -6 0 -3.90 4.20 -14 -6 0 1.50 1.80 14 6 0 -2.20 1.90 -14 6 0 0.60 1.50 -14 6 0 -4.80 3.80 14 6 0 1.30 2.90 -15 -6 0 -7.60 5.00 -15 -6 0 -1.60 1.80 15 6 0 -1.90 2.10 -15 6 0 -0.30 1.50 15 6 0 2.70 3.20 -15 6 0 1.20 4.60 -16 -6 0 2.70 2.10 -16 6 0 -1.80 1.60 16 6 0 -1.40 3.30 16 6 0 1.00 2.40 0 -7 0 -0.70 0.70 0 7 0 -0.30 0.50 0 7 0 -0.80 0.90 1 -7 0 -1.00 0.70 -1 -7 0 0.00 0.80 1 -7 0 -1.50 0.90 -1 -7 0 0.50 0.50 1 7 0 0.70 0.50 -1 7 0 -1.70 0.80 1 7 0 -1.70 0.90 -1 7 0 0.50 0.50 2 -7 0 104.49 12.10 -2 -7 0 132.39 12.20 -2 -7 0 131.99 12.10 -2 7 0 135.49 12.20 2 7 0 134.99 12.10 2 7 0 139.69 12.30 -3 -7 0 109.39 11.60 -3 -7 0 128.19 11.50 -3 7 0 126.09 11.60 3 7 0 118.59 11.60 3 7 0 129.49 11.50 -4 -7 0 82.89 8.40 4 -7 0 76.39 8.10 -4 -7 0 89.99 8.20 4 7 0 83.59 8.30 4 7 0 92.79 8.20 -5 -7 0 -0.30 0.70 5 -7 0 1.40 0.70 -5 -7 0 1.30 1.20 5 7 0 0.90 0.70 -5 7 0 1.80 0.90 5 7 0 0.50 1.10 -6 -7 0 0.20 0.80 6 -7 0 1.80 0.70 -6 -7 0 0.60 1.30 6 -7 0 0.80 0.70 6 7 0 -0.10 0.70 -6 7 0 3.30 1.30 6 7 0 1.30 1.20 -6 7 0 -1.00 0.90 -7 -7 0 6.10 1.80 -7 -7 0 11.30 2.00 7 -7 0 9.00 1.40 -7 7 0 3.10 1.70 7 7 0 6.60 1.70 -7 7 0 7.10 1.30 -8 -7 0 4.70 1.20 -8 -7 0 3.20 1.90 -8 7 0 2.00 1.80 -8 7 0 2.70 1.20 8 7 0 3.60 1.10 8 7 0 3.10 1.60 -9 -7 0 35.60 4.10 -9 7 0 38.40 4.00 9 7 0 37.20 4.00 9 7 0 25.20 4.60 -10 -7 0 21.20 3.60 -10 -7 0 35.00 5.60 -10 7 0 31.10 3.40 10 7 0 19.20 3.40 -10 7 0 27.90 4.60 10 7 0 26.30 4.40 -11 -7 0 1.00 2.70 -11 -7 0 1.30 1.60 11 7 0 1.00 2.10 -11 7 0 -0.10 2.60 -11 7 0 3.00 1.40 -12 -7 0 -0.10 3.10 -12 -7 0 0.20 1.40 12 7 0 -1.50 2.30 -12 7 0 1.00 1.40 -12 7 0 1.30 3.40 12 7 0 2.30 1.50 -13 -7 0 3.90 1.80 -13 -7 0 4.30 3.90 13 7 0 5.10 2.50 13 7 0 5.80 1.80 -13 7 0 0.40 3.60 -13 7 0 4.80 1.60 -14 -7 0 -1.60 1.70 -14 -7 0 -0.80 4.40 14 7 0 -0.50 1.80 -14 7 0 2.40 4.30 14 7 0 3.50 3.10 -15 -7 0 -3.50 2.00 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1.60 11 4 -5 4.50 1.20 -11 4 5 6.10 1.80 11 4 -5 6.90 1.40 -10 -4 5 2.50 1.00 -10 -4 5 -0.40 1.90 10 4 -5 3.40 1.20 -10 4 5 1.90 0.70 -10 4 5 -1.10 1.30 10 4 -5 3.80 0.90 -10 4 5 -0.80 1.30 9 4 -5 11.90 1.70 -9 4 5 9.00 1.50 -8 -4 5 10.00 1.90 -8 -4 5 11.30 1.90 8 4 -5 13.80 2.00 -8 4 5 10.60 1.40 8 4 -5 12.60 1.70 -7 -4 5 174.58 14.90 -7 -4 5 141.69 14.60 7 4 -5 141.09 14.50 7 4 -5 170.88 14.60 -6 -4 5 18.50 2.20 -6 -4 5 15.80 2.60 6 4 -5 18.40 2.30 6 4 -5 18.80 2.10 -5 -4 5 165.78 17.60 -5 -4 5 201.98 17.50 5 4 -5 182.98 17.50 5 4 -5 204.08 17.50 -4 -4 5 10.20 2.00 -4 -4 5 13.80 1.60 4 4 -5 11.00 1.80 4 4 -5 13.90 1.60 -3 -4 5 17.80 2.10 -3 4 5 19.70 1.90 3 4 -5 23.20 2.30 3 4 -5 18.60 2.20 -2 -4 5 40.50 3.80 2 4 -5 34.00 3.70 1 -4 -5 23.70 2.30 1 4 -5 23.90 2.60 -1 4 5 25.90 2.40 0 -4 -5 23.60 2.30 0 -4 5 21.80 2.50 0 -4 -5 20.80 2.40 0 4 5 21.50 2.50 0 4 5 24.10 2.30 0 4 -5 22.70 2.50 -1 -4 -5 383.66 37.50 1 -4 5 371.16 37.60 1 -4 5 445.96 37.60 -1 -4 -5 413.86 37.50 1 4 5 407.86 37.60 -1 4 -5 441.56 37.60 -1 4 -5 373.36 37.70 1 4 5 427.56 37.50 2 -4 5 7.90 1.50 -2 -4 -5 11.50 1.80 2 4 5 11.50 1.90 3 -4 5 6.10 1.30 -3 -4 -5 4.30 1.10 -3 4 -5 2.30 1.30 3 4 5 5.10 1.20 -4 -4 -5 38.40 3.90 4 -4 5 37.40 4.30 4 -4 5 39.40 4.00 -4 -4 -5 39.40 4.10 4 4 5 41.40 4.20 -4 4 -5 37.30 4.00 4 4 5 42.40 3.90 -4 4 -5 29.50 4.30 5 -4 5 1.40 1.00 -5 -4 -5 1.70 0.70 5 -4 5 -0.20 1.20 -5 -4 -5 1.40 1.10 -5 4 -5 2.60 1.00 5 4 5 1.90 0.80 5 4 5 0.90 1.30 6 -4 5 3.00 1.40 -6 -4 -5 1.80 0.90 6 -4 5 1.30 1.10 -6 -4 -5 2.40 1.30 -6 4 -5 1.40 1.00 6 4 5 1.50 1.30 -6 4 -5 0.30 1.50 6 4 5 1.80 0.90 -7 -4 -5 14.70 2.30 -7 -4 -5 17.20 3.20 7 -4 5 16.10 2.90 7 -4 5 12.80 2.60 -7 4 -5 20.00 3.50 -7 4 -5 17.00 2.50 7 4 5 16.90 2.40 7 4 5 18.90 3.10 8 -4 5 0.20 1.30 -8 -4 -5 0.60 1.00 8 -4 5 5.00 1.60 -8 -4 -5 1.60 1.70 8 4 5 1.50 1.10 -8 4 -5 4.50 2.10 -8 4 -5 0.90 1.00 8 4 5 1.40 1.70 9 -4 5 -1.80 1.40 -9 -4 -5 0.90 1.10 -9 -4 -5 2.40 2.00 9 -4 5 0.70 1.70 9 4 5 -0.10 1.90 -9 4 -5 -2.60 2.80 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20.50 -2 5 5 195.28 20.40 2 5 -5 232.18 20.50 -2 5 5 225.68 20.40 -1 -5 5 28.80 3.20 1 -5 -5 30.40 2.90 1 -5 -5 26.50 3.00 1 5 -5 31.40 3.10 -1 5 5 32.90 2.90 -1 5 5 28.20 3.10 0 -5 -5 1.40 0.40 0 -5 -5 2.10 0.70 0 -5 5 0.20 1.10 0 -5 5 0.10 0.80 0 5 5 1.90 0.80 0 5 -5 0.30 0.70 0 5 5 0.90 0.50 0 5 -5 2.20 1.20 -1 -5 -5 136.59 13.40 1 -5 5 152.28 13.60 2 -5 5 136.99 12.20 -2 5 -5 121.89 12.10 -3 -5 -5 0.70 0.90 3 -5 5 -0.90 1.20 3 -5 5 0.10 0.90 -3 -5 -5 1.10 0.70 3 5 5 0.70 1.00 3 5 5 0.40 0.60 -3 5 -5 -0.80 0.80 -4 -5 -5 43.20 4.30 4 -5 5 37.80 4.40 -4 5 -5 42.10 4.30 4 5 5 44.40 4.30 5 -5 5 1.10 1.20 5 -5 5 -0.50 1.00 -5 -5 -5 0.70 0.80 -5 -5 -5 0.50 1.10 -5 5 -5 0.30 0.90 -5 5 -5 -0.80 1.40 5 5 5 1.10 0.80 5 5 5 -0.50 1.20 6 -5 5 0.60 1.20 -6 -5 -5 1.60 0.90 -6 -5 -5 3.20 1.30 6 -5 5 2.70 1.30 6 5 5 1.40 0.90 -6 5 -5 1.90 1.10 6 5 5 2.20 1.40 -6 5 -5 1.10 1.60 7 -5 5 -0.20 1.20 -7 -5 -5 0.40 1.00 -7 -5 -5 0.70 1.50 7 -5 5 2.60 1.50 7 5 5 1.30 1.00 -7 5 -5 -1.90 1.70 -7 5 -5 1.60 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7.50 2.00 -8 -9 5 15.00 3.20 -8 -9 5 25.70 3.10 8 9 -5 20.90 3.50 -8 9 5 20.80 3.00 -7 -9 5 4.20 1.80 -7 -9 5 3.60 1.10 7 9 -5 3.60 1.50 -7 9 5 2.00 1.50 7 9 -5 5.10 1.20 -6 -9 5 6.80 1.80 6 9 -5 3.50 1.40 -6 9 5 2.50 1.60 -5 -9 5 7.40 1.30 -5 -9 5 9.70 1.80 -5 9 5 7.20 1.60 -5 9 5 5.90 1.80 5 9 -5 5.90 1.30 5 9 -5 5.00 1.50 -4 -9 5 10.80 1.80 -4 -9 5 7.60 1.30 -4 9 5 8.30 1.50 4 9 -5 6.60 1.50 4 9 -5 8.10 1.40 -4 9 5 8.00 1.70 -3 -9 5 0.60 0.90 -3 -9 5 0.60 1.40 -3 9 5 1.20 0.60 -3 9 5 -0.80 1.30 3 9 -5 -0.90 1.10 3 9 -5 0.30 0.80 2 -9 -5 88.39 9.20 -2 -9 5 99.89 9.60 -2 9 5 100.69 9.20 -2 9 5 91.89 9.50 2 9 -5 97.69 9.40 2 9 -5 105.49 9.40 -1 -9 5 -1.30 1.60 -1 -9 5 1.90 1.50 1 -9 -5 1.30 1.00 -1 9 5 2.70 1.40 1 9 -5 5.00 1.30 0 -9 -5 0.20 1.00 0 -9 -5 0.70 0.70 0 9 5 0.60 0.80 0 9 5 0.30 1.30 0 9 -5 -0.30 0.80 -1 -9 -5 3.10 1.20 -1 -9 -5 3.30 0.80 1 9 5 4.00 0.90 -1 9 -5 1.00 1.30 -1 9 -5 2.60 1.00 1 9 5 2.60 1.50 -2 -9 -5 73.69 7.10 -2 -9 -5 73.29 7.30 2 -9 5 59.59 7.50 2 -9 5 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-5 11 5 -0.80 0.70 -4 -11 5 14.90 2.60 -4 -11 5 14.00 2.60 -4 11 5 14.10 2.20 -4 11 5 19.70 3.00 4 11 -5 16.50 2.90 4 11 -5 17.30 2.80 -3 -11 5 -0.10 1.70 3 -11 -5 0.00 0.60 3 -11 -5 0.30 0.90 -3 -11 5 0.00 2.10 3 11 -5 -0.90 1.40 -3 11 5 -1.70 1.90 3 11 -5 1.80 1.10 -3 11 5 2.50 0.90 -2 -11 5 25.10 4.00 2 -11 -5 16.70 3.00 -2 11 5 28.00 4.10 2 11 -5 24.60 3.40 -1 -11 5 -0.40 2.10 -1 -11 5 -0.70 1.70 1 -11 -5 0.70 1.40 1 -11 -5 1.50 1.30 -1 11 5 -0.10 0.90 -1 11 5 3.40 1.90 1 11 -5 0.20 1.30 1 11 -5 0.00 1.10 0 -11 5 6.60 2.40 0 -11 -5 12.80 2.10 0 11 5 8.40 2.20 -1 -11 -5 3.60 1.10 -1 -11 -5 5.50 1.60 1 -11 5 3.50 1.90 1 -11 5 2.50 2.00 -1 11 -5 4.10 1.60 1 11 5 4.80 1.30 1 11 5 5.40 2.00 -1 11 -5 3.70 1.30 2 -11 5 134.69 12.00 -2 -11 -5 123.59 11.80 -2 -11 -5 108.39 11.60 2 -11 5 126.79 12.10 2 11 5 117.89 12.00 -2 11 -5 135.09 11.90 -2 11 -5 114.49 11.80 2 11 5 113.99 11.60 -3 -11 -5 5.80 1.40 3 -11 5 8.00 2.10 3 11 5 5.60 1.50 -3 11 -5 10.20 1.90 3 11 5 10.90 2.40 -4 -11 -5 -1.10 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-5 1.80 3.40 11 -11 5 -0.20 2.30 -11 11 -5 1.10 4.60 -11 11 -5 -1.80 2.00 11 11 5 -2.40 1.80 11 11 5 -2.90 3.30 12 -11 5 -2.10 2.00 -12 -11 -5 -2.90 2.00 12 -11 5 -2.20 2.10 -12 11 -5 1.60 2.40 12 11 5 -2.50 3.40 12 11 5 -0.40 2.30 -12 11 -5 0.10 5.30 -13 -11 -5 -1.90 2.50 -13 11 -5 -0.90 2.50 13 11 5 -2.00 2.60 13 11 5 7.50 3.90 -14 -12 5 -1.90 2.30 -13 -12 5 3.50 5.60 -13 -12 5 1.30 2.20 -13 12 5 -1.20 3.80 13 12 -5 1.50 2.50 13 12 -5 1.00 2.00 -13 12 5 2.20 1.90 -12 -12 5 1.90 2.10 -12 -12 5 2.90 3.70 12 12 -5 -1.00 2.40 -12 12 5 0.90 5.20 12 12 -5 -0.40 2.70 -12 12 5 0.80 1.80 -11 -12 5 -3.00 3.20 -11 -12 5 1.40 1.70 -11 12 5 6.00 2.90 -11 12 5 -1.20 1.80 11 12 -5 1.80 2.30 -10 -12 5 4.00 3.00 -10 -12 5 1.80 1.60 10 12 -5 -2.40 2.00 -10 12 5 0.60 1.70 10 12 -5 1.20 2.10 -10 12 5 1.50 1.70 -10 12 5 8.30 2.60 -9 -12 5 2.80 2.60 -9 -12 5 -1.10 1.40 -9 12 5 4.50 1.80 9 12 -5 0.30 1.40 -9 12 5 2.50 2.20 -8 -12 5 8.50 2.00 -8 12 5 10.00 2.30 8 12 -5 7.90 1.80 -8 12 5 14.40 2.60 8 12 -5 10.60 2.20 -7 -12 5 -1.50 2.50 -7 12 5 0.10 1.90 7 12 -5 -0.40 1.60 -7 12 5 1.10 2.20 7 12 -5 -0.30 1.30 -6 -12 5 19.20 3.00 -6 12 5 18.20 2.50 -6 12 5 8.80 3.00 6 12 -5 17.30 3.20 6 12 -5 12.90 2.40 -5 -12 5 0.90 1.10 -5 12 5 1.60 0.90 5 12 -5 1.20 1.50 5 12 -5 0.00 1.30 -5 12 5 -2.80 2.40 -4 -12 5 4.20 1.30 -4 -12 5 3.00 2.00 -4 12 5 5.00 1.10 4 12 -5 3.70 1.60 4 12 -5 8.40 1.70 -4 12 5 3.30 2.60 3 -12 -5 1.10 1.10 -3 -12 5 -4.00 2.20 3 -12 -5 -0.60 0.80 -3 -12 5 -3.70 2.70 3 12 -5 -0.60 1.50 -3 12 5 -3.00 2.30 3 12 -5 0.00 1.90 -3 12 5 1.20 0.90 -2 -12 5 6.10 2.10 -2 -12 5 6.30 2.60 2 12 -5 1.70 1.60 -2 12 5 4.90 2.40 -1 -12 5 35.80 6.40 -1 -12 5 50.19 6.00 -1 12 5 63.99 6.50 -1 12 5 50.99 5.30 1 12 -5 44.00 7.10 1 12 -5 53.49 5.70 0 -12 5 89.09 9.10 0 -12 -5 72.19 8.70 0 -12 -5 93.49 8.70 0 -12 5 71.19 9.10 0 12 5 84.29 8.50 0 12 5 104.09 9.40 0 12 -5 88.89 8.80 1 -12 5 31.60 4.70 -1 -12 -5 22.00 3.40 -1 -12 -5 33.70 4.20 1 -12 5 29.30 4.80 1 12 5 22.50 3.70 1 12 5 35.70 5.00 -1 12 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-4 3 21 1.04 0.00 -3 3 21 0.11 0.00 -2 3 21 0.45 0.00 -1 3 21 0.12 0.00 -3 4 21 -0.80 0.00 -2 4 21 -0.08 0.00 4 0 0 8.17 0.00 1 1 0 -59.32 0.00 0 2 0 49.75 0.00 3 2 0 -1.80 0.00 15 5 0 0.61 0.00 14 8 0 0.07 0.00 12 12 0 -0.13 0.00 7 17 0 -0.24 0.00 2 19 0 0.07 0.00 -3 0 1 -29.90 0.00 -1 0 1 -68.76 0.00 1 0 1 -52.70 0.00 3 0 1 -10.76 0.00 -2 1 1 46.34 0.00 -1 1 1 1.24 0.00 0 1 1 62.75 0.00 1 1 1 -0.30 0.00 2 1 1 25.63 0.00 0 2 1 -0.69 0.00 15 4 1 0.01 0.00 -15 5 1 0.61 0.00 13 10 1 -0.86 0.00 7 17 1 0.25 0.00 5 18 1 0.12 0.00 -2 19 1 0.37 0.00 1 19 1 -0.06 0.00 2 19 1 0.14 0.00 0 0 2 53.35 0.00 -1 1 2 -54.59 0.00 0 1 2 -0.75 0.00 1 1 2 -30.05 0.00 15 3 2 -0.39 0.00 11 13 2 -0.43 0.00 8 16 2 0.74 0.00 -2 19 2 0.02 0.00 -1 19 2 -0.86 0.00 0 19 2 -0.03 0.00 1 19 2 -0.42 0.00 15 0 3 -0.61 0.00 10 14 3 -0.10 0.00 9 15 3 -0.01 0.00 -5 18 3 0.21 0.00 -1 19 3 0.14 0.00 0 19 3 0.65 0.00 0 0 4 14.72 0.00 -7 17 4 0.16 0.00 6 17 4 -0.53 0.00 -5 18 4 0.05 0.00 4 18 4 -0.04 0.00 -9 0 5 0.19 0.00 -5 0 5 -5.66 0.00 -1 0 5 -11.21 0.00 -1 1 5 0.65 0.00 0 1 5 2.12 0.00 2 1 5 -7.71 0.00 1 2 5 3.69 0.00 13 8 5 0.27 0.00 12 10 5 -0.21 0.00 7 16 5 -0.10 0.00 3 18 5 0.20 0.00 0 0 6 -3.65 0.00 2 0 6 -8.39 0.00 2 1 6 1.71 0.00 -1 2 6 0.19 0.00 14 2 6 -0.32 0.00 1 3 6 2.80 0.00 13 7 6 0.06 0.00 -12 12 6 0.87 0.00 -8 16 6 -0.63 0.00 5 17 6 0.15 0.00 -4 18 6 0.22 0.00 2 18 6 -0.51 0.00 -1 3 7 0.69 0.00 -15 5 7 -0.57 0.00 13 6 7 -0.44 0.00 -14 8 7 -0.27 0.00 10 12 7 -0.34 0.00 -11 13 7 -0.75 0.00 -9 15 7 0.27 0.00 6 16 7 -0.60 0.00 -6 17 7 -0.58 0.00 4 17 7 -0.47 0.00 -3 18 7 -0.66 0.00 -2 18 7 -0.23 0.00 0 18 7 -0.36 0.00 1 18 7 0.82 0.00 -8 0 8 1.50 0.00 0 0 8 -5.38 0.00 2 0 8 -5.78 0.00 -1 3 8 1.92 0.00 -15 4 8 -0.72 0.00 13 4 8 0.03 0.00 -1 5 8 1.03 0.00 1 5 8 0.35 0.00 -5 17 8 0.26 0.00 3 17 8 0.79 0.00 13 0 9 0.18 0.00 -1 2 9 3.32 0.00 -15 3 9 -0.73 0.00 -3 3 9 0.52 0.00 12 6 9 0.02 0.00 -14 7 9 -0.32 0.00 -12 11 9 -0.26 0.00 9 12 9 -0.51 0.00 6 15 9 -0.49 0.00 -4 17 9 0.15 0.00 2 17 9 -1.01 0.00 -4 0 10 -1.74 0.00 -15 1 10 -0.61 0.00 0 1 10 0.46 0.00 2 1 10 0.05 0.00 -2 2 10 -2.89 0.00 12 4 10 0.24 0.00 -11 12 10 0.05 0.00 -10 13 10 -0.59 0.00 -9 14 10 0.20 0.00 5 15 10 0.46 0.00 -6 16 10 -0.37 0.00 -2 17 10 0.24 0.00 -1 17 10 1.19 0.00 -1 0 11 2.67 0.00 1 1 11 0.14 0.00 -3 3 11 0.73 0.00 -3 5 11 0.52 0.00 11 6 11 -0.55 0.00 -13 8 11 -0.01 0.00 -12 10 11 0.56 0.00 -7 15 11 -0.65 0.00 4 15 11 -0.34 0.00 2 16 11 0.44 0.00 -6 0 12 0.41 0.00 0 0 12 -0.89 0.00 0 2 12 -1.15 0.00 -14 4 12 -0.39 0.00 11 4 12 0.29 0.00 10 7 12 0.37 0.00 -10 12 12 0.21 0.00 7 12 12 0.28 0.00 -9 13 12 -0.59 0.00 6 13 12 0.16 0.00 -6 15 12 -0.22 0.00 3 15 12 0.12 0.00 -2 16 12 -0.64 0.00 -1 16 12 -0.20 0.00 -5 0 13 0.16 0.00 -14 1 13 -0.24 0.00 -14 2 13 0.02 0.00 10 5 13 0.02 0.00 -13 6 13 0.16 0.00 -11 10 13 -0.05 0.00 7 11 13 0.47 0.00 6 12 13 -0.45 0.00 5 13 13 -0.12 0.00 -4 15 13 -0.06 0.00 1 15 13 -0.31 0.00 10 0 14 0.07 0.00 10 1 14 -0.25 0.00 10 2 14 -0.08 0.00 -2 3 14 -1.10 0.00 9 6 14 -0.23 0.00 8 8 14 -0.16 0.00 -11 9 14 -0.41 0.00 6 11 14 -0.59 0.00 5 12 14 0.60 0.00 -7 13 14 0.00 0.00 -5 14 14 0.29 0.00 -13 0 15 0.38 0.00 -5 0 15 0.57 0.00 -3 0 15 1.06 0.00 1 0 15 -1.51 0.00 -13 1 15 0.05 0.00 -13 2 15 0.06 0.00 9 3 15 0.44 0.00 -12 6 15 -0.26 0.00 -11 8 15 -0.44 0.00 2 13 15 -0.09 0.00 -4 0 16 -1.30 0.00 -6 1 16 -0.23 0.00 -12 4 16 0.08 0.00 -6 12 16 -0.62 0.00 2 12 16 -0.24 0.00 -2 13 16 -0.30 0.00 6 6 17 0.59 0.00 -10 7 17 -0.36 0.00 5 8 17 0.34 0.00 4 9 17 -0.62 0.00 3 10 17 0.68 0.00 6 3 18 0.34 0.00 -10 5 18 0.68 0.00 -8 8 18 -0.21 0.00 -7 9 18 -0.10 0.00 -5 10 18 0.14 0.00 5 0 19 0.94 0.00 5 1 19 0.09 0.00 -9 4 19 0.06 0.00 -8 6 19 -0.23 0.00 -7 7 19 -0.08 0.00 -6 8 19 0.11 0.00 1 8 19 -0.50 0.00 -4 9 19 -0.06 0.00 -3 9 19 0.48 0.00 -2 9 19 -0.17 0.00 -1 9 19 -0.07 0.00 3 2 20 0.27 0.00 -8 3 20 -0.81 0.00 3 3 20 -0.04 0.00 -7 5 20 -0.10 0.00 2 5 20 0.08 0.00 -6 6 20 0.09 0.00 1 6 20 -0.08 0.00 -4 7 20 -0.18 0.00 -1 7 20 -0.35 0.00 1 0 21 -0.21 0.00 1 1 21 -0.01 0.00 -6 2 21 -0.59 0.00 1 2 21 0.07 0.00 0 3 21 -0.13 0.00 -5 4 21 -0.82 0.00 -4 4 21 0.22 0.00 -1 4 21 -0.18 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 126 34 ' ' 2 0.500 0.000 1.000 126 34 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 4 0 0 6.229 1 1 0 1.999 0 2 0 2.515 3 2 0 5.305 -3 0 1 4.607 -1 0 1 1.754 1 0 1 2.075 3 0 1 4.992 -2 1 1 3.362 -1 1 1 2.158 0 1 1 1.690 1 1 1 2.426 2 1 1 3.710 0 2 1 2.757 0 0 2 2.257 -1 1 2 2.805 0 1 2 2.584 1 1 2 3.214 0 0 4 4.518 -5 0 5 8.803 -1 0 5 5.593 -1 1 5 5.733 0 1 5 5.790 2 1 5 7.033 1 2 5 6.621 0 0 6 6.786 2 0 6 7.954 2 1 6 8.054 -1 2 6 7.153 1 3 6 8.161 -1 3 7 8.678 0 0 8 9.065 2 0 8 10.101 -1 3 8 9.702 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL mo_molan50P 21/nk_0m_a R = 0.15 CELL 13.3050 16.1970 18.3260 90.00 100.07 90.00 SPGR P21/n # Solvent Accessible Volume = 252 # Electrons Found in S.A.V. = 68 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.938 0.494 0.437 ! 1.83 eA-3 C102 0.983 0.566 0.466 ! 1.72 eA-3 C103 0.500 0.076 0.004 ! 1.67 eA-3 Q104 0.778 0.778 0.070 ! 1.50 eA-3 Q105 0.708 0.923 0.978 ! 0.84 eA-3 Q106 1.001 0.281 0.956 ! 0.78 eA-3 Q107 0.750 0.139 0.076 ! 0.77 eA-3 Q108 0.173 0.874 0.935 ! 0.70 eA-3 Q109 0.282 0.890 0.905 ! 0.68 eA-3 Q110 0.141 0.034 0.125 ! 0.64 eA-3 Q111 0.921 0.690 0.350 ! 0.63 eA-3 Q112 0.969 0.280 0.685 ! 0.63 eA-3 Q113 0.755 0.288 0.051 ! 0.61 eA-3 Q114 0.344 0.259 0.250 ! 0.61 eA-3 Q115 0.157 0.158-0.007 ! 0.61 eA-3 Q116 0.109 0.352 0.593 ! 0.59 eA-3 Q117 0.864 0.708 0.372 ! 0.59 eA-3 Q118 0.516 0.898 0.098 ! 0.58 eA-3 Q119 0.910 0.195 0.417 ! 0.57 eA-3 Q120 0.906 0.418 0.928 ! 0.57 eA-3 Q121 0.516 0.730 0.138 ! 0.57 eA-3 Q122 0.954 0.660 0.376 ! 0.56 eA-3 Q123 0.798 0.350 0.457 ! 0.54 eA-3 Q124 0.297 0.555 0.372 ! 0.54 eA-3 Q125 0.643 0.286 0.420 ! 0.54 eA-3 Q126 0.250 0.091 0.073 ! 0.54 eA-3 Q127 0.407 0.288 0.527 ! 0.52 eA-3 Q128 0.512 0.634 0.047 ! 0.51 eA-3 Q129 0.753 0.338 0.350 ! 0.51 eA-3 Q130 0.340 0.837 0.125 ! 0.51 eA-3 Q131 0.483 0.289 0.521 ! 0.51 eA-3 Q132 0.932 0.793 0.297 ! 0.51 eA-3 Q133 0.532 0.535 0.356 ! 0.51 eA-3 Q134 0.441 0.144 0.441 ! 0.50 eA-3 Q135 0.559 0.856 0.559 ! 0.50 eA-3 Q136 0.970 0.024 0.243 ! 0.50 eA-3 Q137 0.067 0.733 0.762 ! 0.50 eA-3 ) ; _shelx_fab_checksum 64336 data_mo_molan508e_293Kc0m_a _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H34 Fe N8 O2' _chemical_formula_weight 714.60 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' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 12.7743(12) _cell_length_b 15.9993(15) _cell_length_c 17.8511(17) _cell_angle_alpha 90 _cell_angle_beta 102.280(3) _cell_angle_gamma 90 _cell_volume 3564.9(6) _cell_formula_units_Z 4 _cell_measurement_temperature 292(2) _cell_measurement_reflns_used 5713 _cell_measurement_theta_min 3.02 _cell_measurement_theta_max 24.51 _exptl_crystal_description 'block' _exptl_crystal_colour 'red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.331 _exptl_crystal_F_000 1488 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.470 _shelx_estimated_absorpt_T_min 0.759 _shelx_estimated_absorpt_T_max 0.963 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6461 _exptl_absorpt_correction_T_max 0.7451 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 292(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 37444 _diffrn_reflns_av_unetI/netI 0.0628 _diffrn_reflns_av_R_equivalents 0.1082 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 3.024 _diffrn_reflns_theta_max 24.713 _diffrn_reflns_theta_full 24.713 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 6048 _reflns_number_gt 3602 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0352P)^2^+2.8668P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 6048 _refine_ls_number_parameters 462 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1130 _refine_ls_R_factor_gt 0.0498 _refine_ls_wR_factor_ref 0.1160 _refine_ls_wR_factor_gt 0.0904 _refine_ls_goodness_of_fit_ref 1.041 _refine_ls_restrained_S_all 1.041 _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 Fe1 Fe 0.32236(4) 0.72512(3) 0.56056(3) 0.03685(16) Uani 1 1 d . . . . . O1 O -0.2339(2) 0.7693(2) 0.77457(16) 0.0745(9) Uani 1 1 d . . . . . C1 C 0.2043(3) 0.8643(2) 0.49242(19) 0.0345(8) Uani 1 1 d . . . . . N1 N 0.2080(2) 0.79660(16) 0.54642(15) 0.0335(7) Uani 1 1 d . . . . . C2 C 0.2452(3) 0.8518(2) 0.4277(2) 0.0445(9) Uani 1 1 d . . . . . H2 H 0.271473 0.799561 0.418161 0.053 Uiso 1 1 calc R U . . . N2 N 0.1209(2) 0.79489(16) 0.57587(15) 0.0344(7) Uani 1 1 d . . . . . O2 O 0.8976(2) 0.7212(2) 0.36256(18) 0.0855(11) Uani 1 1 d . . . . . N4 N 0.2745(2) 0.66690(17) 0.63535(16) 0.0355(7) Uani 1 1 d . . . . . C4 C 0.2080(4) 0.9934(3) 0.3914(3) 0.0670(13) Uani 1 1 d . . . . . H4 H 0.210639 1.037535 0.357925 0.080 Uiso 1 1 calc R U . . . N3 N 0.1900(2) 0.68338(17) 0.66505(15) 0.0354(7) Uani 1 1 d . . . . . C3 C 0.2470(3) 0.9166(3) 0.3773(2) 0.0591(12) Uani 1 1 d . . . . . H3 H 0.274726 0.908287 0.333717 0.071 Uiso 1 1 calc R U . . . N6 N 0.5250(2) 0.78432(18) 0.53857(15) 0.0365(7) Uani 1 1 d . . . . . C6 C 0.1631(3) 0.9410(2) 0.5059(2) 0.0524(11) Uani 1 1 d . . . . . H6 H 0.134242 0.949476 0.548925 0.063 Uiso 1 1 calc R U . . . N5 N 0.4382(2) 0.79278(16) 0.56746(15) 0.0349(7) Uani 1 1 d . . . . . C5 C 0.1654(4) 1.0054(3) 0.4542(3) 0.0696(13) Uani 1 1 d . . . . . H5 H 0.137392 1.057342 0.462544 0.083 Uiso 1 1 calc R U . . . N7 N 0.4572(2) 0.66149(18) 0.46413(16) 0.0407(7) Uani 1 1 d . . . . . C7 C 0.1188(3) 0.7406(2) 0.63310(18) 0.0323(8) Uani 1 1 d . . . . . C9 C -0.0761(3) 0.7703(2) 0.62487(19) 0.0375(8) Uani 1 1 d . . . . . H9 H -0.083418 0.781180 0.572831 0.045 Uiso 1 1 calc R U . . . N8 N 0.3704(2) 0.65417(17) 0.49435(16) 0.0378(7) Uani 1 1 d . . . . . C8 C 0.0231(3) 0.7474(2) 0.66778(18) 0.0310(8) Uani 1 1 d . . . . . C10 C -0.1648(3) 0.7775(2) 0.6577(2) 0.0425(9) Uani 1 1 d . . . . . H10 H -0.231193 0.792103 0.627901 0.051 Uiso 1 1 calc R U . . . C11 C -0.1534(3) 0.7628(2) 0.7350(2) 0.0444(9) Uani 1 1 d . . . . . C12 C -0.0556(3) 0.7396(2) 0.7783(2) 0.0478(10) Uani 1 1 d . . . . . H12 H -0.048513 0.728821 0.830312 0.057 Uiso 1 1 calc R U . . . C13 C 0.0320(3) 0.7321(2) 0.74537(19) 0.0403(9) Uani 1 1 d . . . . . H13 H 0.097828 0.716654 0.775432 0.048 Uiso 1 1 calc R U . . . C14 C -0.3281(4) 0.8067(4) 0.7409(3) 0.106(2) Uani 1 1 d . . . . . H14A H -0.313693 0.860915 0.722261 0.158 Uiso 1 1 calc R U . . . H14B H -0.372327 0.812596 0.777802 0.158 Uiso 1 1 calc R U . . . H14C H -0.364452 0.773015 0.698854 0.158 Uiso 1 1 calc R U . . . C16 C 0.2953(3) 0.5455(2) 0.7217(2) 0.0587(12) Uani 1 1 d . . . . . H16 H 0.224066 0.550979 0.725423 0.070 Uiso 1 1 calc R U . . . C15 C 0.3379(3) 0.6007(2) 0.6773(2) 0.0381(9) Uani 1 1 d . . . . . C18 C 0.4617(4) 0.4729(3) 0.7570(3) 0.0646(12) Uani 1 1 d . . . . . H18 H 0.502660 0.429621 0.782943 0.077 Uiso 1 1 calc R U . . . C17 C 0.3573(4) 0.4819(3) 0.7611(3) 0.0699(14) Uani 1 1 d . . . . . H17 H 0.327032 0.444908 0.790696 0.084 Uiso 1 1 calc R U . . . C19 C 0.5055(3) 0.5284(3) 0.7143(3) 0.0669(13) Uani 1 1 d . . . . . H19 H 0.577262 0.523279 0.711902 0.080 Uiso 1 1 calc R U . . . C20 C 0.4447(3) 0.5921(3) 0.6747(2) 0.0528(11) Uani 1 1 d . . . . . H20 H 0.475929 0.629517 0.646100 0.063 Uiso 1 1 calc R U . . . C21 C 0.4452(3) 0.8661(2) 0.61453(19) 0.0350(8) Uani 1 1 d . . . . . C22 C 0.4819(3) 0.9408(2) 0.5909(2) 0.0488(10) Uani 1 1 d . . . . . H22 H 0.503250 0.943904 0.544274 0.059 Uiso 1 1 calc R U . . . C23 C 0.4869(3) 1.0107(3) 0.6367(3) 0.0631(12) Uani 1 1 d . . . . . H23 H 0.510546 1.061173 0.620471 0.076 Uiso 1 1 calc R U . . . C24 C 0.4570(3) 1.0065(3) 0.7063(3) 0.0632(12) Uani 1 1 d . . . . . H24 H 0.461011 1.053678 0.737190 0.076 Uiso 1 1 calc R U . . . C25 C 0.4214(3) 0.9322(3) 0.7295(2) 0.0570(11) Uani 1 1 d . . . . . H25 H 0.402269 0.929030 0.776873 0.068 Uiso 1 1 calc R U . . . C26 C 0.4136(3) 0.8621(2) 0.6839(2) 0.0417(9) Uani 1 1 d . . . . . H26 H 0.387201 0.812432 0.699573 0.050 Uiso 1 1 calc R U . . . C27 C 0.3028(3) 0.5864(2) 0.4604(2) 0.0437(9) Uani 1 1 d . . . . . C28 C 0.3438(4) 0.5155(3) 0.4333(3) 0.0663(13) Uani 1 1 d . . . . . H28 H 0.417205 0.511148 0.436407 0.080 Uiso 1 1 calc R U . . . C29 C 0.2770(4) 0.4510(3) 0.4017(3) 0.0844(16) Uani 1 1 d . . . . . H29 H 0.305619 0.403899 0.383004 0.101 Uiso 1 1 calc R U . . . C30 C 0.1686(4) 0.4559(3) 0.3978(3) 0.0828(16) Uani 1 1 d . . . . . H30 H 0.123688 0.412325 0.376648 0.099 Uiso 1 1 calc R U . . . C31 C 0.1276(4) 0.5255(3) 0.4255(3) 0.0810(15) Uani 1 1 d . . . . . H31 H 0.054408 0.529001 0.423576 0.097 Uiso 1 1 calc R U . . . C32 C 0.1936(3) 0.5907(3) 0.4561(3) 0.0658(13) Uani 1 1 d . . . . . H32 H 0.164379 0.637978 0.474014 0.079 Uiso 1 1 calc R U . . . C33 C 0.5280(3) 0.7219(2) 0.48858(18) 0.0348(8) Uani 1 1 d . . . . . C34 C 0.6252(3) 0.7230(2) 0.45523(18) 0.0381(8) Uani 1 1 d . . . . . C35 C 0.6816(3) 0.7959(2) 0.4518(2) 0.0443(9) Uani 1 1 d . . . . . H35 H 0.658045 0.844890 0.470981 0.053 Uiso 1 1 calc R U . . . C36 C 0.7718(3) 0.7987(3) 0.4207(2) 0.0494(10) Uani 1 1 d . . . . . H36 H 0.807860 0.848864 0.418649 0.059 Uiso 1 1 calc R U . . . C37 C 0.8077(3) 0.7262(3) 0.3928(2) 0.0579(11) Uani 1 1 d . . . . . C38 C 0.7528(3) 0.6532(3) 0.3954(3) 0.0722(14) Uani 1 1 d . . . . . H38 H 0.777288 0.604355 0.376727 0.087 Uiso 1 1 calc R U . . . C39 C 0.6613(3) 0.6510(3) 0.4253(2) 0.0598(12) Uani 1 1 d . . . . . H39 H 0.623866 0.601146 0.425415 0.072 Uiso 1 1 calc R U . . . C40 C 0.9649(3) 0.7918(3) 0.3683(3) 0.0856(17) Uani 1 1 d . . . . . H40A H 1.026142 0.778864 0.347314 0.128 Uiso 1 1 calc R U . . . H40B H 0.988090 0.807211 0.421265 0.128 Uiso 1 1 calc R U . . . H40C H 0.926216 0.837494 0.340407 0.128 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Fe1 0.0365(3) 0.0343(3) 0.0447(3) 0.0032(3) 0.0196(2) 0.0001(3) O1 0.0524(18) 0.110(3) 0.073(2) 0.0370(19) 0.0404(16) 0.0288(18) C1 0.035(2) 0.029(2) 0.040(2) 0.0077(17) 0.0085(17) -0.0042(16) N1 0.0376(16) 0.0287(17) 0.0371(16) 0.0022(13) 0.0146(14) -0.0014(13) C2 0.047(2) 0.044(2) 0.047(2) 0.0104(19) 0.0195(19) 0.0006(19) N2 0.0367(16) 0.0315(17) 0.0378(17) 0.0039(13) 0.0140(14) 0.0008(13) O2 0.0551(19) 0.115(3) 0.103(2) -0.046(2) 0.0539(18) -0.021(2) N4 0.0336(17) 0.0308(17) 0.0442(17) 0.0027(14) 0.0133(14) 0.0011(13) C4 0.088(4) 0.052(3) 0.060(3) 0.024(2) 0.014(3) -0.014(3) N3 0.0364(17) 0.0315(16) 0.0421(17) 0.0053(14) 0.0170(14) 0.0034(14) C3 0.062(3) 0.067(3) 0.053(3) 0.019(2) 0.023(2) 0.000(2) N6 0.0381(16) 0.0404(18) 0.0357(16) -0.0054(14) 0.0181(14) -0.0039(14) C6 0.077(3) 0.033(2) 0.050(2) 0.0029(19) 0.018(2) 0.000(2) N5 0.0410(17) 0.0336(18) 0.0346(16) 0.0016(13) 0.0183(14) 0.0009(13) C5 0.098(4) 0.035(2) 0.074(3) 0.007(2) 0.013(3) 0.006(2) N7 0.0362(17) 0.0438(19) 0.0452(18) -0.0036(15) 0.0156(15) -0.0021(15) C7 0.0350(19) 0.032(2) 0.0312(19) -0.0007(16) 0.0106(16) -0.0019(16) C9 0.043(2) 0.037(2) 0.0343(19) 0.0080(17) 0.0130(17) 0.0025(18) N8 0.0380(17) 0.0303(16) 0.0467(18) 0.0002(14) 0.0126(15) -0.0023(14) C8 0.035(2) 0.0269(19) 0.0324(19) 0.0029(14) 0.0112(16) 0.0024(15) C10 0.034(2) 0.041(2) 0.052(2) 0.012(2) 0.0104(17) 0.0069(18) C11 0.040(2) 0.049(2) 0.050(2) 0.013(2) 0.0221(19) 0.0066(19) C12 0.051(2) 0.062(3) 0.035(2) 0.0080(19) 0.0186(19) 0.009(2) C13 0.037(2) 0.045(2) 0.039(2) 0.0032(18) 0.0077(17) 0.0075(18) C14 0.059(3) 0.160(6) 0.109(4) 0.050(4) 0.044(3) 0.044(4) C16 0.045(2) 0.049(3) 0.083(3) 0.022(2) 0.016(2) 0.002(2) C15 0.037(2) 0.030(2) 0.048(2) 0.0021(17) 0.0098(18) 0.0022(16) C18 0.063(3) 0.044(3) 0.080(3) 0.012(2) 0.000(3) 0.015(2) C17 0.062(3) 0.054(3) 0.091(4) 0.033(3) 0.009(3) 0.002(2) C19 0.049(3) 0.080(3) 0.072(3) 0.015(3) 0.013(2) 0.024(2) C20 0.046(3) 0.059(3) 0.057(3) 0.019(2) 0.019(2) 0.011(2) C21 0.0306(19) 0.036(2) 0.042(2) -0.0018(17) 0.0141(17) -0.0015(16) C22 0.060(3) 0.040(2) 0.053(2) 0.004(2) 0.025(2) -0.003(2) C23 0.069(3) 0.038(3) 0.089(3) -0.002(2) 0.031(3) -0.009(2) C24 0.070(3) 0.044(3) 0.083(3) -0.025(2) 0.032(3) -0.003(2) C25 0.061(3) 0.061(3) 0.058(3) -0.014(2) 0.031(2) 0.000(2) C26 0.046(2) 0.036(2) 0.048(2) -0.0027(18) 0.0223(19) -0.0006(18) C27 0.050(2) 0.033(2) 0.050(2) -0.0009(18) 0.016(2) -0.0078(19) C28 0.062(3) 0.050(3) 0.088(3) -0.014(2) 0.017(3) -0.005(2) C29 0.088(4) 0.048(3) 0.119(5) -0.026(3) 0.025(3) -0.012(3) C30 0.080(4) 0.055(3) 0.110(4) -0.018(3) 0.013(3) -0.031(3) C31 0.054(3) 0.075(4) 0.113(4) -0.019(3) 0.014(3) -0.022(3) C32 0.047(3) 0.057(3) 0.094(4) -0.022(3) 0.017(3) -0.014(2) C33 0.0354(19) 0.039(2) 0.0311(19) -0.0015(18) 0.0090(16) -0.0001(18) C34 0.035(2) 0.047(2) 0.035(2) -0.0087(18) 0.0135(16) -0.0023(18) C35 0.042(2) 0.051(2) 0.043(2) -0.0116(19) 0.0169(18) -0.001(2) C36 0.043(2) 0.060(3) 0.050(2) -0.011(2) 0.020(2) -0.014(2) C37 0.040(2) 0.082(3) 0.057(3) -0.021(3) 0.022(2) -0.010(2) C38 0.062(3) 0.072(3) 0.097(4) -0.036(3) 0.049(3) -0.007(3) C39 0.054(3) 0.049(3) 0.084(3) -0.020(2) 0.033(2) -0.010(2) C40 0.048(3) 0.131(5) 0.089(4) -0.019(3) 0.040(3) -0.021(3) _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 Fe1 N5 1.817(3) . ? Fe1 N1 1.830(3) . ? Fe1 N4 1.836(3) . ? Fe1 N8 1.836(3) . ? O1 C14 1.363(5) . ? O1 C11 1.371(4) . ? C1 C6 1.376(5) . ? C1 C2 1.379(5) . ? C1 N1 1.444(4) . ? N1 N2 1.328(3) . ? C2 C3 1.377(5) . ? C2 H2 0.9300 . ? N2 C7 1.346(4) . ? O2 C37 1.372(4) . ? O2 C40 1.410(5) . ? N4 N3 1.326(3) . ? N4 C15 1.442(4) . ? C4 C5 1.359(6) . ? C4 C3 1.369(6) . ? C4 H4 0.9300 . ? N3 C7 1.330(4) . ? C3 H3 0.9300 . ? N6 N5 1.326(3) . ? N6 C33 1.345(4) . ? C6 C5 1.388(5) . ? C6 H6 0.9300 . ? N5 C21 1.435(4) . ? C5 H5 0.9300 . ? N7 C33 1.333(4) . ? N7 N8 1.337(4) . ? C7 C8 1.488(4) . ? C9 C8 1.383(4) . ? C9 C10 1.387(4) . ? C9 H9 0.9300 . ? N8 C27 1.438(4) . ? C8 C13 1.387(4) . ? C10 C11 1.375(5) . ? C10 H10 0.9300 . ? C11 C12 1.373(5) . ? C12 C13 1.375(4) . ? C12 H12 0.9300 . ? C13 H13 0.9300 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C16 C15 1.374(5) . ? C16 C17 1.386(5) . ? C16 H16 0.9300 . ? C15 C20 1.382(5) . ? C18 C17 1.359(6) . ? C18 C19 1.366(6) . ? C18 H18 0.9300 . ? C17 H17 0.9300 . ? C19 C20 1.381(5) . ? C19 H19 0.9300 . ? C20 H20 0.9300 . ? C21 C22 1.382(5) . ? C21 C26 1.383(4) . ? C22 C23 1.380(5) . ? C22 H22 0.9300 . ? C23 C24 1.376(6) . ? C23 H23 0.9300 . ? C24 C25 1.368(5) . ? C24 H24 0.9300 . ? C25 C26 1.378(5) . ? C25 H25 0.9300 . ? C26 H26 0.9300 . ? C27 C28 1.379(5) . ? C27 C32 1.382(5) . ? C28 C29 1.381(6) . ? C28 H28 0.9300 . ? C29 C30 1.374(6) . ? C29 H29 0.9300 . ? C30 C31 1.368(6) . ? C30 H30 0.9300 . ? C31 C32 1.378(6) . ? C31 H31 0.9300 . ? C32 H32 0.9300 . ? C33 C34 1.486(4) . ? C34 C35 1.379(5) . ? C34 C39 1.389(5) . ? C35 C36 1.382(5) . ? C35 H35 0.9300 . ? C36 C37 1.378(5) . ? C36 H36 0.9300 . ? C37 C38 1.367(6) . ? C38 C39 1.386(5) . ? C38 H38 0.9300 . ? C39 H39 0.9300 . ? C40 H40A 0.9600 . ? C40 H40B 0.9600 . ? C40 H40C 0.9600 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N5 Fe1 N1 104.60(11) . . ? N5 Fe1 N4 130.20(12) . . ? N1 Fe1 N4 92.17(12) . . ? N5 Fe1 N8 91.88(12) . . ? N1 Fe1 N8 131.60(12) . . ? N4 Fe1 N8 111.29(12) . . ? C14 O1 C11 119.6(3) . . ? C6 C1 C2 120.2(3) . . ? C6 C1 N1 120.7(3) . . ? C2 C1 N1 119.0(3) . . ? N2 N1 C1 111.6(3) . . ? N2 N1 Fe1 130.1(2) . . ? C1 N1 Fe1 118.2(2) . . ? C3 C2 C1 120.0(4) . . ? C3 C2 H2 120.0 . . ? C1 C2 H2 120.0 . . ? N1 N2 C7 117.9(3) . . ? C37 O2 C40 118.2(3) . . ? N3 N4 C15 110.7(3) . . ? N3 N4 Fe1 128.0(2) . . ? C15 N4 Fe1 120.9(2) . . ? C5 C4 C3 120.2(4) . . ? C5 C4 H4 119.9 . . ? C3 C4 H4 119.9 . . ? N4 N3 C7 120.4(3) . . ? C4 C3 C2 119.9(4) . . ? C4 C3 H3 120.1 . . ? C2 C3 H3 120.1 . . ? N5 N6 C33 118.6(3) . . ? C1 C6 C5 118.8(4) . . ? C1 C6 H6 120.6 . . ? C5 C6 H6 120.6 . . ? N6 N5 C21 111.0(3) . . ? N6 N5 Fe1 130.5(2) . . ? C21 N5 Fe1 118.4(2) . . ? C4 C5 C6 120.9(4) . . ? C4 C5 H5 119.6 . . ? C6 C5 H5 119.6 . . ? C33 N7 N8 119.7(3) . . ? N3 C7 N2 130.4(3) . . ? N3 C7 C8 114.8(3) . . ? N2 C7 C8 114.8(3) . . ? C8 C9 C10 121.5(3) . . ? C8 C9 H9 119.3 . . ? C10 C9 H9 119.3 . . ? N7 N8 C27 111.8(3) . . ? N7 N8 Fe1 128.7(2) . . ? C27 N8 Fe1 119.0(2) . . ? C9 C8 C13 118.1(3) . . ? C9 C8 C7 121.7(3) . . ? C13 C8 C7 120.2(3) . . ? C11 C10 C9 119.2(3) . . ? C11 C10 H10 120.4 . . ? C9 C10 H10 120.4 . . ? O1 C11 C12 115.0(3) . . ? O1 C11 C10 124.9(3) . . ? C12 C11 C10 120.1(3) . . ? C11 C12 C13 120.5(3) . . ? C11 C12 H12 119.7 . . ? C13 C12 H12 119.7 . . ? C12 C13 C8 120.7(3) . . ? C12 C13 H13 119.7 . . ? C8 C13 H13 119.7 . . ? O1 C14 H14A 109.5 . . ? O1 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O1 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C15 C16 C17 120.7(4) . . ? C15 C16 H16 119.6 . . ? C17 C16 H16 119.6 . . ? C16 C15 C20 118.1(3) . . ? C16 C15 N4 121.6(3) . . ? C20 C15 N4 120.4(3) . . ? C17 C18 C19 119.0(4) . . ? C17 C18 H18 120.5 . . ? C19 C18 H18 120.5 . . ? C18 C17 C16 120.8(4) . . ? C18 C17 H17 119.6 . . ? C16 C17 H17 119.6 . . ? C18 C19 C20 120.8(4) . . ? C18 C19 H19 119.6 . . ? C20 C19 H19 119.6 . . ? C19 C20 C15 120.6(4) . . ? C19 C20 H20 119.7 . . ? C15 C20 H20 119.7 . . ? C22 C21 C26 119.8(3) . . ? C22 C21 N5 120.7(3) . . ? C26 C21 N5 119.5(3) . . ? C23 C22 C21 119.7(4) . . ? C23 C22 H22 120.2 . . ? C21 C22 H22 120.2 . . ? C24 C23 C22 120.6(4) . . ? C24 C23 H23 119.7 . . ? C22 C23 H23 119.7 . . ? C25 C24 C23 119.4(4) . . ? C25 C24 H24 120.3 . . ? C23 C24 H24 120.3 . . ? C24 C25 C26 121.0(4) . . ? C24 C25 H25 119.5 . . ? C26 C25 H25 119.5 . . ? C25 C26 C21 119.6(4) . . ? C25 C26 H26 120.2 . . ? C21 C26 H26 120.2 . . ? C28 C27 C32 118.4(4) . . ? C28 C27 N8 121.9(3) . . ? C32 C27 N8 119.7(3) . . ? C27 C28 C29 120.7(4) . . ? C27 C28 H28 119.7 . . ? C29 C28 H28 119.7 . . ? C30 C29 C28 120.5(5) . . ? C30 C29 H29 119.8 . . ? C28 C29 H29 119.8 . . ? C31 C30 C29 119.2(4) . . ? C31 C30 H30 120.4 . . ? C29 C30 H30 120.4 . . ? C30 C31 C32 120.7(5) . . ? C30 C31 H31 119.7 . . ? C32 C31 H31 119.7 . . ? C31 C32 C27 120.6(4) . . ? C31 C32 H32 119.7 . . ? C27 C32 H32 119.7 . . ? N7 C33 N6 130.0(3) . . ? N7 C33 C34 116.4(3) . . ? N6 C33 C34 113.6(3) . . ? C35 C34 C39 117.7(3) . . ? C35 C34 C33 121.1(3) . . ? C39 C34 C33 121.2(4) . . ? C34 C35 C36 122.2(3) . . ? C34 C35 H35 118.9 . . ? C36 C35 H35 118.9 . . ? C37 C36 C35 119.2(4) . . ? C37 C36 H36 120.4 . . ? C35 C36 H36 120.4 . . ? C38 C37 O2 116.2(4) . . ? C38 C37 C36 119.6(3) . . ? O2 C37 C36 124.2(4) . . ? C37 C38 C39 121.0(4) . . ? C37 C38 H38 119.5 . . ? C39 C38 H38 119.5 . . ? C38 C39 C34 120.2(4) . . ? C38 C39 H39 119.9 . . ? C34 C39 H39 119.9 . . ? O2 C40 H40A 109.5 . . ? O2 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? O2 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? _refine_diff_density_max 0.292 _refine_diff_density_min -0.279 _refine_diff_density_rms 0.054 _shelx_res_file ; TITL mo_molan508e_293Kc0m_a.res in P2(1)/n mo_molan508e_293Kc0m_a.res created by SHELXL-2018/1 at 14:22:55 on 22-Oct-2018 REM Old TITL mo_molan508e_293Kc0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.184, Rweak 0.013, Alpha 0.067, Orientation as input REM Formula found by SHELXT: C40 N10 Fe CELL 0.71073 12.7743 15.9993 17.8511 90.000 102.280 90.000 ZERR 4.000 0.0012 0.0015 0.0017 0.000 0.003 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C H N O FE UNIT 160 136 32 8 4 TEMP 19.330 SIZE 0.080 0.360 0.620 L.S. 10 shel 10 0.85 BOND $H LIST 4 FMAP 2 PLAN 5 acta WGHT 0.035200 2.866800 FVAR 0.18579 FE1 5 0.322360 0.725119 0.560563 11.00000 0.03646 0.03429 = 0.04470 0.00319 0.01962 0.00006 O1 4 -0.233890 0.769336 0.774571 11.00000 0.05239 0.10989 = 0.07339 0.03704 0.04043 0.02879 C1 1 0.204322 0.864316 0.492420 11.00000 0.03497 0.02880 = 0.04007 0.00765 0.00851 -0.00425 N1 3 0.207981 0.796596 0.546416 11.00000 0.03757 0.02869 = 0.03713 0.00217 0.01462 -0.00136 C2 1 0.245173 0.851799 0.427721 11.00000 0.04650 0.04411 = 0.04719 0.01038 0.01952 0.00055 AFIX 43 H2 2 0.271473 0.799561 0.418161 11.00000 -1.20000 AFIX 0 N2 3 0.120923 0.794891 0.575865 11.00000 0.03667 0.03149 = 0.03778 0.00391 0.01400 0.00081 O2 4 0.897569 0.721228 0.362564 11.00000 0.05514 0.11510 = 0.10291 -0.04572 0.05393 -0.02147 N4 3 0.274510 0.666900 0.635347 11.00000 0.03361 0.03082 = 0.04421 0.00274 0.01330 0.00106 C4 1 0.207992 0.993414 0.391389 11.00000 0.08820 0.05156 = 0.06023 0.02412 0.01383 -0.01368 AFIX 43 H4 2 0.210639 1.037535 0.357925 11.00000 -1.20000 AFIX 0 N3 3 0.190037 0.683376 0.665051 11.00000 0.03643 0.03147 = 0.04206 0.00533 0.01698 0.00345 C3 1 0.247021 0.916638 0.377279 11.00000 0.06152 0.06724 = 0.05320 0.01881 0.02294 0.00020 AFIX 43 H3 2 0.274726 0.908287 0.333717 11.00000 -1.20000 AFIX 0 N6 3 0.525047 0.784317 0.538571 11.00000 0.03808 0.04043 = 0.03567 -0.00544 0.01812 -0.00387 C6 1 0.163113 0.940957 0.505902 11.00000 0.07691 0.03251 = 0.04985 0.00291 0.01819 0.00024 AFIX 43 H6 2 0.134242 0.949476 0.548925 11.00000 -1.20000 AFIX 0 N5 3 0.438226 0.792778 0.567462 11.00000 0.04104 0.03358 = 0.03460 0.00158 0.01833 0.00095 C5 1 0.165385 1.005355 0.454157 11.00000 0.09834 0.03460 = 0.07358 0.00722 0.01338 0.00618 AFIX 43 H5 2 0.137392 1.057342 0.462544 11.00000 -1.20000 AFIX 0 N7 3 0.457160 0.661491 0.464125 11.00000 0.03624 0.04379 = 0.04523 -0.00357 0.01559 -0.00209 C7 1 0.118829 0.740576 0.633098 11.00000 0.03497 0.03219 = 0.03121 -0.00073 0.01065 -0.00189 C9 1 -0.076069 0.770319 0.624871 11.00000 0.04335 0.03687 = 0.03433 0.00804 0.01304 0.00254 AFIX 43 H9 2 -0.083418 0.781180 0.572831 11.00000 -1.20000 AFIX 0 N8 3 0.370428 0.654170 0.494354 11.00000 0.03796 0.03029 = 0.04674 0.00021 0.01260 -0.00225 C8 1 0.023085 0.747359 0.667777 11.00000 0.03537 0.02694 = 0.03238 0.00290 0.01115 0.00240 C10 1 -0.164813 0.777511 0.657723 11.00000 0.03445 0.04132 = 0.05219 0.01194 0.01041 0.00690 AFIX 43 H10 2 -0.231193 0.792103 0.627901 11.00000 -1.20000 AFIX 0 C11 1 -0.153372 0.762787 0.734956 11.00000 0.04002 0.04918 = 0.04968 0.01332 0.02205 0.00664 C12 1 -0.055575 0.739574 0.778277 11.00000 0.05051 0.06239 = 0.03471 0.00797 0.01862 0.00934 AFIX 43 H12 2 -0.048513 0.728821 0.830312 11.00000 -1.20000 AFIX 0 C13 1 0.031966 0.732100 0.745367 11.00000 0.03662 0.04485 = 0.03942 0.00318 0.00773 0.00755 AFIX 43 H13 2 0.097828 0.716654 0.775432 11.00000 -1.20000 AFIX 0 C14 1 -0.328056 0.806732 0.740880 11.00000 0.05878 0.16044 = 0.10917 0.05030 0.04376 0.04426 AFIX 137 H14A 2 -0.313693 0.860915 0.722261 11.00000 -1.50000 H14B 2 -0.372327 0.812596 0.777802 11.00000 -1.50000 H14C 2 -0.364452 0.773015 0.698854 11.00000 -1.50000 AFIX 0 C16 1 0.295277 0.545543 0.721732 11.00000 0.04534 0.04876 = 0.08306 0.02196 0.01633 0.00221 AFIX 43 H16 2 0.224066 0.550979 0.725423 11.00000 -1.20000 AFIX 0 C15 1 0.337914 0.600699 0.677280 11.00000 0.03746 0.02961 = 0.04756 0.00214 0.00982 0.00216 C18 1 0.461674 0.472922 0.757042 11.00000 0.06306 0.04411 = 0.07991 0.01158 0.00028 0.01515 AFIX 43 H18 2 0.502660 0.429621 0.782943 11.00000 -1.20000 AFIX 0 C17 1 0.357266 0.481901 0.761123 11.00000 0.06212 0.05383 = 0.09059 0.03315 0.00892 0.00207 AFIX 43 H17 2 0.327032 0.444908 0.790696 11.00000 -1.20000 AFIX 0 C19 1 0.505546 0.528425 0.714340 11.00000 0.04859 0.07990 = 0.07236 0.01474 0.01297 0.02371 AFIX 43 H19 2 0.577262 0.523279 0.711902 11.00000 -1.20000 AFIX 0 C20 1 0.444724 0.592109 0.674727 11.00000 0.04596 0.05941 = 0.05660 0.01892 0.01869 0.01081 AFIX 43 H20 2 0.475929 0.629517 0.646100 11.00000 -1.20000 AFIX 0 C21 1 0.445201 0.866127 0.614531 11.00000 0.03061 0.03562 = 0.04162 -0.00178 0.01410 -0.00146 C22 1 0.481941 0.940802 0.590875 11.00000 0.05981 0.03992 = 0.05257 0.00396 0.02534 -0.00293 AFIX 43 H22 2 0.503250 0.943904 0.544274 11.00000 -1.20000 AFIX 0 C23 1 0.486850 1.010718 0.636732 11.00000 0.06926 0.03752 = 0.08889 -0.00230 0.03125 -0.00886 AFIX 43 H23 2 0.510546 1.061173 0.620471 11.00000 -1.20000 AFIX 0 C24 1 0.457022 1.006496 0.706282 11.00000 0.06974 0.04427 = 0.08269 -0.02534 0.03241 -0.00302 AFIX 43 H24 2 0.461011 1.053678 0.737190 11.00000 -1.20000 AFIX 0 C25 1 0.421447 0.932245 0.729532 11.00000 0.06071 0.06110 = 0.05754 -0.01392 0.03124 0.00012 AFIX 43 H25 2 0.402269 0.929030 0.776873 11.00000 -1.20000 AFIX 0 C26 1 0.413596 0.862133 0.683861 11.00000 0.04630 0.03588 = 0.04848 -0.00270 0.02231 -0.00061 AFIX 43 H26 2 0.387201 0.812432 0.699573 11.00000 -1.20000 AFIX 0 C27 1 0.302756 0.586430 0.460368 11.00000 0.05023 0.03271 = 0.05040 -0.00087 0.01570 -0.00779 C28 1 0.343819 0.515535 0.433336 11.00000 0.06167 0.04983 = 0.08793 -0.01413 0.01689 -0.00532 AFIX 43 H28 2 0.417205 0.511148 0.436407 11.00000 -1.20000 AFIX 0 C29 1 0.277013 0.450981 0.401745 11.00000 0.08762 0.04775 = 0.11920 -0.02555 0.02473 -0.01232 AFIX 43 H29 2 0.305619 0.403899 0.383004 11.00000 -1.20000 AFIX 0 C30 1 0.168611 0.455851 0.397823 11.00000 0.08014 0.05522 = 0.10980 -0.01781 0.01280 -0.03056 AFIX 43 H30 2 0.123688 0.412325 0.376648 11.00000 -1.20000 AFIX 0 C31 1 0.127596 0.525541 0.425460 11.00000 0.05393 0.07470 = 0.11276 -0.01868 0.01419 -0.02178 AFIX 43 H31 2 0.054408 0.529001 0.423576 11.00000 -1.20000 AFIX 0 C32 1 0.193595 0.590697 0.456076 11.00000 0.04735 0.05687 = 0.09418 -0.02163 0.01706 -0.01353 AFIX 43 H32 2 0.164379 0.637978 0.474014 11.00000 -1.20000 AFIX 0 C33 1 0.528038 0.721931 0.488580 11.00000 0.03542 0.03887 = 0.03107 -0.00153 0.00897 -0.00005 C34 1 0.625196 0.723011 0.455234 11.00000 0.03540 0.04659 = 0.03496 -0.00865 0.01349 -0.00233 C35 1 0.681556 0.795941 0.451772 11.00000 0.04167 0.05145 = 0.04328 -0.01158 0.01691 -0.00107 AFIX 43 H35 2 0.658045 0.844890 0.470981 11.00000 -1.20000 AFIX 0 C36 1 0.771786 0.798708 0.420718 11.00000 0.04296 0.06009 = 0.04972 -0.01058 0.02015 -0.01360 AFIX 43 H36 2 0.807860 0.848864 0.418649 11.00000 -1.20000 AFIX 0 C37 1 0.807662 0.726206 0.392843 11.00000 0.03966 0.08227 = 0.05673 -0.02112 0.02161 -0.00989 C38 1 0.752796 0.653240 0.395386 11.00000 0.06202 0.07159 = 0.09702 -0.03639 0.04873 -0.00678 AFIX 43 H38 2 0.777288 0.604355 0.376727 11.00000 -1.20000 AFIX 0 C39 1 0.661259 0.651009 0.425336 11.00000 0.05447 0.04946 = 0.08365 -0.02046 0.03313 -0.00951 AFIX 43 H39 2 0.623866 0.601146 0.425415 11.00000 -1.20000 AFIX 0 C40 1 0.964875 0.791833 0.368349 11.00000 0.04804 0.13058 = 0.08948 -0.01870 0.04028 -0.02112 AFIX 137 H40A 2 1.026142 0.778864 0.347314 11.00000 -1.50000 H40B 2 0.988090 0.807211 0.421265 11.00000 -1.50000 H40C 2 0.926216 0.837494 0.340407 11.00000 -1.50000 AFIX 0 HKLF 4 REM mo_molan508e_293Kc0m_a.res in P2(1)/n REM R1 = 0.0498 for 3602 Fo > 4sig(Fo) and 0.1130 for all 6048 data REM 462 parameters refined using 0 restraints END WGHT 0.0352 2.8670 REM Highest difference peak 0.292, deepest hole -0.279, 1-sigma level 0.054 Q1 1 0.2436 0.7243 0.5867 11.00000 0.05 0.29 Q2 1 0.4018 0.7184 0.5289 11.00000 0.05 0.28 Q3 1 0.3837 0.7985 0.5106 11.00000 0.05 0.25 Q4 1 -0.3408 0.6636 0.7461 11.00000 0.05 0.21 Q5 1 0.1650 0.8021 0.5689 11.00000 0.05 0.21 ; _shelx_res_checksum 31171 _shelx_hkl_file ; 2 0 0 500.55 7.90 2 0 0 536.55 8.10 -2 0 0 489.85 8.00 -2 0 0 522.45 8.10 -3 0 0 -0.70 0.90 3 0 0 0.00 0.80 3 0 0 -1.40 0.90 -3 0 0 1.00 0.80 4 0 0 67.59 2.60 4 0 0 68.59 2.40 -4 0 0 66.89 2.40 -4 0 0 70.39 2.60 -5 0 0 0.10 1.20 5 0 0 -0.40 1.30 -5 0 0 1.20 1.10 5 0 0 -1.00 1.10 -6 0 0 411.46 8.10 6 0 0 386.56 7.60 6 0 0 397.46 8.00 -6 0 0 399.26 7.70 7 0 0 1.00 1.50 7 0 0 -2.50 1.70 -7 0 0 1.60 1.50 -7 0 0 2.30 1.70 -8 0 0 125.19 4.70 8 0 0 121.29 4.60 -8 0 0 128.09 5.00 8 0 0 123.99 5.10 -9 0 0 -0.60 2.00 9 0 0 1.20 2.10 -9 0 0 2.20 2.30 9 0 0 -0.70 2.50 -10 0 0 7.90 2.70 -10 0 0 7.70 2.80 10 0 0 7.50 2.60 10 0 0 4.50 3.00 -11 0 0 -0.50 2.80 11 0 0 -0.10 2.60 11 0 0 -4.20 3.00 -11 0 0 -2.00 2.70 12 0 0 -1.90 3.60 -12 0 0 9.60 3.40 12 0 0 -2.80 3.10 -12 0 0 -7.10 3.10 -13 0 0 -6.30 3.70 13 0 0 -4.70 4.30 -13 0 0 -2.00 3.50 13 0 0 -7.10 3.70 -14 0 0 26.70 5.10 14 0 0 15.20 4.90 14 0 0 29.20 5.70 -14 0 0 24.80 5.10 2 -1 0 477.95 7.70 -2 -1 0 476.65 7.70 -2 -1 0 495.15 7.80 2 -1 0 477.55 7.50 -2 1 0 488.85 7.50 2 1 0 504.35 7.80 2 1 0 470.25 7.70 -2 1 0 486.05 7.70 3 -1 0 628.14 10.10 -3 -1 0 671.83 10.50 -3 -1 0 646.04 10.30 3 -1 0 656.23 10.40 3 1 0 626.74 10.30 -3 1 0 657.23 10.40 -3 1 0 652.73 10.20 3 1 0 662.43 10.50 4 -1 0 4.90 1.00 4 -1 0 2.60 1.20 -4 -1 0 6.00 1.10 -4 -1 0 2.30 1.10 4 1 0 3.60 1.20 -4 1 0 5.20 1.00 -4 1 0 5.20 1.20 4 1 0 3.50 1.10 -5 -1 0 158.18 4.10 5 -1 0 162.08 3.90 5 -1 0 162.08 4.30 -5 -1 0 171.88 4.40 5 1 0 157.58 4.30 -5 1 0 161.98 4.30 5 1 0 156.08 4.10 -5 1 0 158.68 3.90 6 -1 0 93.09 3.90 6 -1 0 91.89 3.40 -6 -1 0 98.09 3.90 -6 -1 0 95.19 3.60 -6 1 0 90.89 3.80 6 1 0 92.99 3.60 6 1 0 96.29 3.80 -6 1 0 92.89 3.40 -7 -1 0 -1.30 1.70 7 -1 0 1.20 1.50 7 -1 0 0.70 1.80 -7 -1 0 1.80 1.60 7 1 0 -2.20 1.70 7 1 0 1.20 1.60 -7 1 0 1.30 1.60 -7 1 0 -0.30 1.40 -8 -1 0 4.00 1.90 -8 -1 0 0.30 2.00 8 -1 0 2.60 2.20 8 -1 0 1.90 1.80 -8 1 0 3.10 1.80 8 1 0 2.80 2.10 -8 1 0 3.60 1.90 8 1 0 -0.20 1.90 9 -1 0 0.50 2.00 -9 -1 0 -2.40 2.10 9 -1 0 -5.60 2.30 -9 -1 0 1.30 2.30 9 1 0 1.40 2.40 -9 1 0 0.00 2.00 -9 1 0 -1.80 2.20 9 1 0 -2.20 2.10 -10 -1 0 119.09 6.00 10 -1 0 120.99 6.30 10 -1 0 135.29 5.60 -10 -1 0 130.59 5.90 -10 1 0 127.79 5.70 10 1 0 122.09 5.80 -10 1 0 129.19 6.00 10 1 0 130.49 6.40 11 -1 0 5.30 2.90 -11 -1 0 11.80 3.30 11 -1 0 4.30 3.30 -11 -1 0 1.50 2.90 -11 1 0 8.80 3.00 -11 1 0 6.80 3.10 11 1 0 14.50 3.50 11 1 0 6.20 3.10 -12 -1 0 13.60 3.60 12 -1 0 11.10 3.40 12 -1 0 14.90 4.00 -12 -1 0 12.50 3.60 -12 1 0 7.80 3.50 -12 1 0 15.60 3.70 12 1 0 9.20 3.90 12 1 0 5.90 3.50 13 -1 0 -5.50 4.30 -13 -1 0 -5.00 3.50 13 -1 0 -5.00 3.50 -13 -1 0 -7.90 3.70 13 1 0 -1.60 4.60 -13 1 0 -0.60 3.50 13 1 0 -7.50 3.90 -13 1 0 -1.00 3.60 14 -1 0 10.50 10.40 -14 -1 0 5.10 4.60 14 -1 0 -3.40 4.40 -14 -1 0 1.10 4.60 -14 1 0 2.50 4.40 14 1 0 6.20 4.70 -14 1 0 4.10 4.50 14 1 0 2.20 5.10 -1 -2 0 16.60 1.40 -1 -2 0 17.30 1.50 1 -2 0 17.00 1.00 1 -2 0 16.20 1.30 1 2 0 16.40 1.40 2 -2 0 58.89 2.00 -2 -2 0 59.19 2.00 -2 -2 0 58.39 2.00 2 -2 0 58.39 1.60 2 2 0 57.99 2.00 2 2 0 60.29 2.10 -2 2 0 58.19 2.00 -2 2 0 60.09 1.70 -3 -2 0 13.60 1.70 3 -2 0 9.20 1.00 3 -2 0 8.40 1.20 -3 -2 0 9.50 1.30 3 2 0 10.40 1.30 -3 2 0 9.40 1.20 3 2 0 8.90 1.20 -3 2 0 10.10 1.00 -4 -2 0 21.50 2.10 -4 -2 0 19.70 2.00 4 -2 0 17.30 2.00 4 -2 0 19.70 1.60 -4 2 0 20.00 1.70 4 2 0 22.00 2.20 4 2 0 22.90 2.10 -4 2 0 22.40 2.10 -5 -2 0 97.39 3.50 -5 -2 0 94.49 3.30 5 -2 0 95.09 2.90 5 -2 0 95.69 3.40 5 2 0 90.09 3.50 -5 2 0 95.19 3.40 5 2 0 98.99 3.50 -5 2 0 95.39 3.10 -6 -2 0 4.00 1.60 6 -2 0 -0.60 1.60 -6 -2 0 2.70 1.50 6 -2 0 0.90 1.30 6 2 0 3.40 1.50 -6 2 0 2.00 1.50 -6 2 0 1.20 1.30 6 2 0 2.70 1.60 7 -2 0 167.68 5.20 7 -2 0 166.08 4.60 -7 -2 0 168.08 5.10 -7 -2 0 167.18 5.30 7 2 0 168.38 5.20 -7 2 0 166.48 4.70 7 2 0 163.78 5.30 -7 2 0 168.38 5.20 8 -2 0 52.49 4.10 -8 -2 0 55.89 4.20 -8 -2 0 54.69 4.00 8 -2 0 51.19 3.40 -8 2 0 49.50 3.60 8 2 0 48.80 4.20 8 2 0 48.80 4.00 -8 2 0 49.00 3.90 9 -2 0 0.70 2.00 -9 -2 0 2.00 2.30 9 -2 0 3.60 2.60 -9 -2 0 3.80 2.30 -9 2 0 3.00 2.20 9 2 0 4.00 2.40 9 2 0 4.10 2.60 -9 2 0 3.00 2.10 10 -2 0 -5.40 2.70 -10 -2 0 -2.40 2.60 10 -2 0 2.80 2.30 -10 -2 0 -2.90 2.50 10 2 0 -1.00 2.70 -10 2 0 1.90 2.50 10 2 0 -1.30 2.60 -10 2 0 0.80 2.40 11 -2 0 3.80 3.30 -11 -2 0 0.70 2.90 -11 -2 0 1.50 3.00 11 -2 0 1.10 2.70 -11 2 0 7.60 2.80 11 2 0 1.10 3.20 -11 2 0 0.00 3.70 11 2 0 3.00 3.10 -12 -2 0 -4.30 3.20 12 -2 0 -1.40 3.70 12 -2 0 -3.90 3.00 -12 2 0 0.90 3.20 -12 2 0 1.10 3.00 12 2 0 -2.70 5.00 12 2 0 -0.90 3.60 13 -2 0 -5.50 3.40 -13 -2 0 -1.40 3.90 -13 -2 0 2.10 3.80 13 -2 0 5.70 4.60 -13 2 0 -1.30 3.80 13 2 0 -4.00 3.90 13 2 0 -3.30 4.30 -13 2 0 -2.30 3.40 14 -2 0 31.20 5.00 -14 -2 0 26.00 5.30 -14 -2 0 33.20 5.40 14 -2 0 38.00 5.90 14 2 0 19.20 9.70 14 2 0 33.10 5.80 -14 2 0 38.70 5.30 -14 2 0 38.80 5.20 0 -3 0 0.30 0.70 0 -3 0 0.00 0.70 0 3 0 0.40 0.70 0 3 0 0.40 0.70 1 -3 0 23.60 1.50 -1 -3 0 26.20 1.70 1 -3 0 21.70 1.30 -1 3 0 24.40 1.60 1 3 0 22.70 1.70 -1 3 0 21.50 1.50 1 3 0 21.60 1.70 -2 -3 0 47.40 2.10 -2 -3 0 45.10 2.20 2 -3 0 46.90 2.10 2 -3 0 45.70 1.60 -2 3 0 43.50 1.80 -2 3 0 41.70 2.10 2 3 0 46.80 2.20 2 3 0 49.60 2.30 -3 -3 0 0.70 1.00 -3 -3 0 0.90 1.00 3 -3 0 -1.40 1.00 3 -3 0 0.40 0.70 3 3 0 0.80 1.10 3 3 0 0.90 1.00 -3 3 0 0.30 0.80 -3 3 0 -1.10 1.00 -4 -3 0 318.37 6.30 4 -3 0 323.27 6.20 -4 -3 0 321.07 6.50 4 -3 0 319.97 5.70 4 3 0 314.17 6.40 -4 3 0 326.37 5.90 -4 3 0 321.47 6.30 4 3 0 312.37 6.40 -5 -3 0 9.60 1.60 -5 -3 0 11.80 1.80 5 -3 0 12.40 1.40 5 -3 0 12.60 1.70 -5 3 0 12.00 1.70 -5 3 0 12.30 1.50 5 3 0 15.20 1.80 5 3 0 9.70 1.70 -6 -3 0 13.10 2.10 6 -3 0 15.60 1.60 6 -3 0 16.50 2.10 -6 -3 0 17.50 2.00 -6 3 0 16.30 2.00 6 3 0 16.90 2.10 6 3 0 12.70 2.00 -6 3 0 15.40 1.70 -7 -3 0 4.20 2.00 7 -3 0 3.30 2.00 7 -3 0 4.60 1.60 -7 -3 0 6.60 1.90 7 3 0 2.30 1.90 7 3 0 4.20 1.90 -7 3 0 5.40 1.70 -7 3 0 4.70 1.90 -8 -3 0 0.60 2.10 8 -3 0 1.80 2.20 8 -3 0 -1.00 1.70 -8 -3 0 -1.20 1.90 -8 3 0 2.40 2.00 8 3 0 2.50 2.20 8 3 0 0.30 2.00 -8 3 0 2.10 1.80 9 -3 0 3.20 2.10 -9 -3 0 8.60 2.60 -9 -3 0 6.60 2.40 9 -3 0 2.30 2.60 9 3 0 4.80 2.50 -9 3 0 7.70 2.30 9 3 0 8.80 2.70 -9 3 0 2.80 2.50 10 -3 0 90.59 4.80 -10 -3 0 84.99 6.00 10 -3 0 86.39 5.80 10 3 0 90.29 5.80 -10 3 0 84.09 5.40 -10 3 0 87.69 5.20 10 3 0 87.79 6.10 -11 -3 0 8.20 3.30 11 -3 0 15.50 3.70 -11 -3 0 8.60 3.10 11 -3 0 14.60 3.00 -11 3 0 13.40 4.30 11 3 0 14.30 3.50 -11 3 0 12.90 3.10 11 3 0 7.30 3.50 12 -3 0 -5.40 2.90 -12 -3 0 -6.30 3.30 -12 -3 0 6.70 3.90 12 -3 0 -0.60 3.80 -12 3 0 -1.20 3.20 -12 3 0 -0.30 3.00 12 3 0 2.00 3.70 12 3 0 0.50 3.60 13 -3 0 -2.40 3.50 -13 -3 0 -4.70 3.80 13 -3 0 -6.20 4.50 -13 3 0 -1.80 3.40 13 3 0 -3.60 4.20 13 3 0 1.10 4.40 -13 3 0 6.10 3.70 14 -3 0 8.10 5.40 -14 -3 0 6.80 5.00 -14 -3 0 5.20 4.60 -14 3 0 -0.20 4.40 -14 3 0 -4.80 4.10 14 3 0 -4.50 6.40 14 3 0 1.00 5.00 0 -4 0 3065.09 45.40 0 -4 0 3145.19 45.50 0 4 0 3058.69 45.60 0 4 0 3179.78 45.60 -1 -4 0 332.17 6.20 -1 -4 0 338.67 6.40 1 -4 0 338.87 6.10 1 -4 0 338.67 5.90 1 4 0 331.57 6.30 -1 4 0 343.07 6.10 -1 4 0 353.56 6.40 1 4 0 345.47 6.40 -2 -4 0 120.29 3.30 -2 -4 0 120.29 3.50 2 -4 0 121.09 3.10 2 -4 0 118.39 2.70 2 4 0 122.29 3.50 -2 4 0 118.79 3.40 -2 4 0 118.39 3.00 2 4 0 118.89 3.40 3 -4 0 29.90 1.60 -3 -4 0 30.30 2.30 3 -4 0 30.60 2.20 -3 -4 0 32.00 2.20 -3 4 0 26.30 2.30 -3 4 0 27.10 1.90 3 4 0 31.70 2.40 3 4 0 29.90 2.40 -4 -4 0 18.00 2.30 4 -4 0 15.70 1.70 4 -4 0 15.40 1.70 -4 -4 0 14.80 1.80 4 4 0 15.20 1.80 -4 4 0 18.10 2.00 -4 4 0 19.00 2.40 4 4 0 22.60 2.60 5 -4 0 3.80 1.60 5 -4 0 3.40 1.20 -5 -4 0 4.20 1.60 -5 -4 0 5.00 1.50 -5 4 0 3.60 1.50 -5 4 0 4.30 1.30 5 4 0 0.10 1.50 5 4 0 1.00 1.60 -6 -4 0 289.17 6.70 6 -4 0 287.87 5.80 6 -4 0 299.77 6.60 -6 -4 0 289.87 7.00 6 4 0 285.97 7.00 6 4 0 289.27 7.00 -6 4 0 290.77 6.70 -6 4 0 293.27 6.20 7 -4 0 117.19 3.80 -7 -4 0 113.39 4.60 7 -4 0 118.69 4.70 -7 -4 0 111.69 4.80 7 4 0 117.19 5.00 7 4 0 114.09 4.90 -7 4 0 115.89 4.10 -7 4 0 117.69 4.60 -8 -4 0 2.10 2.20 8 -4 0 6.00 1.80 -8 -4 0 3.60 2.20 8 -4 0 3.50 2.30 8 4 0 3.40 2.20 -8 4 0 4.30 2.20 8 4 0 3.10 2.30 -8 4 0 4.20 1.90 -9 -4 0 1.00 2.30 -9 -4 0 2.90 2.50 9 -4 0 1.50 2.60 9 -4 0 3.10 2.00 -9 4 0 2.20 2.40 9 4 0 0.10 2.60 9 4 0 3.20 2.60 -9 4 0 3.80 2.30 10 -4 0 3.30 3.00 10 -4 0 0.20 2.20 -10 -4 0 3.10 2.90 -10 -4 0 4.80 2.80 -10 4 0 0.20 2.70 10 4 0 -3.50 2.80 -10 4 0 4.20 2.60 10 4 0 0.10 3.00 11 -4 0 4.00 3.50 -11 -4 0 4.60 3.30 -11 -4 0 4.40 3.30 11 -4 0 1.30 2.50 11 4 0 0.90 3.50 -11 4 0 7.60 3.30 -11 4 0 7.30 3.10 12 -4 0 2.50 4.00 12 -4 0 -0.50 2.90 -12 -4 0 1.30 3.60 -12 -4 0 0.30 3.60 12 4 0 -1.50 3.90 -12 4 0 -0.60 3.30 -12 4 0 2.80 3.20 12 4 0 -4.60 3.60 13 -4 0 19.20 3.80 13 -4 0 30.60 4.90 -13 -4 0 19.30 5.00 -13 -4 0 18.00 4.60 -13 4 0 22.20 4.40 13 4 0 9.30 4.10 -13 4 0 19.10 3.90 13 4 0 27.20 8.50 -14 -4 0 10.20 5.50 14 -4 0 2.10 4.00 14 -4 0 13.70 5.30 -14 -4 0 5.20 5.00 -14 4 0 8.30 4.20 -14 4 0 12.10 4.80 14 4 0 8.70 5.50 0 -5 0 0.10 1.00 0 -5 0 0.60 1.00 0 5 0 0.60 1.10 0 5 0 0.30 1.10 -1 -5 0 30.50 2.20 -1 -5 0 33.00 2.30 1 -5 0 31.80 2.00 1 -5 0 34.30 2.10 -1 5 0 31.30 2.20 -1 5 0 31.80 2.30 1 5 0 30.80 2.40 2 -5 0 50.49 2.00 2 -5 0 56.89 2.40 -2 -5 0 53.39 2.60 2 5 0 52.99 2.80 -2 5 0 52.89 2.70 -2 5 0 54.49 2.40 2 5 0 50.99 2.80 -3 -5 0 234.28 5.50 3 -5 0 226.88 4.40 3 -5 0 226.78 4.90 -3 -5 0 223.28 5.20 3 5 0 227.28 5.40 -3 5 0 226.18 4.80 3 5 0 227.38 5.50 -3 5 0 229.58 5.40 4 -5 0 543.35 9.10 4 -5 0 560.64 9.70 -4 -5 0 548.45 10.30 -4 -5 0 540.35 10.00 -4 5 0 555.04 10.10 -4 5 0 552.44 9.50 4 5 0 542.45 10.20 4 5 0 541.05 10.30 5 -5 0 37.70 2.30 5 -5 0 35.20 2.80 -5 -5 0 36.80 3.30 -5 -5 0 36.00 3.10 5 5 0 34.80 3.40 5 5 0 35.30 3.40 -5 5 0 39.30 2.60 -5 5 0 32.30 3.10 6 -5 0 20.00 2.20 -6 -5 0 21.10 2.40 6 -5 0 19.60 2.30 -6 -5 0 16.20 2.10 6 5 0 18.90 2.40 6 5 0 18.90 2.50 -6 5 0 18.50 2.00 -6 5 0 17.70 2.30 -7 -5 0 2.80 2.00 7 -5 0 -1.30 1.40 -7 -5 0 -1.00 2.00 7 -5 0 0.10 2.00 7 5 0 2.00 2.20 -7 5 0 -0.70 1.90 -7 5 0 1.60 1.60 7 5 0 0.40 2.10 8 -5 0 -2.00 1.70 -8 -5 0 0.70 2.10 -8 -5 0 0.50 2.10 8 -5 0 -3.30 2.30 8 5 0 1.90 2.30 8 5 0 0.40 2.40 -8 5 0 1.10 2.20 -8 5 0 -0.40 2.00 -9 -5 0 2.60 2.40 9 -5 0 1.20 2.60 9 -5 0 0.40 2.00 -9 -5 0 0.00 2.50 9 5 0 2.60 2.70 -9 5 0 -2.50 2.20 -9 5 0 -2.50 2.50 9 5 0 2.30 2.70 10 -5 0 180.58 5.70 10 -5 0 181.38 6.90 -10 -5 0 168.48 7.50 -10 -5 0 169.88 7.30 -10 5 0 177.28 6.90 10 5 0 154.48 7.70 -10 5 0 179.38 6.60 10 5 0 167.28 7.70 11 -5 0 -2.20 3.20 -11 -5 0 5.80 4.00 -11 -5 0 3.80 3.40 11 -5 0 0.50 2.40 -11 5 0 2.30 3.00 11 5 0 0.30 3.50 -11 5 0 2.60 3.00 11 5 0 -3.10 3.40 -12 -5 0 1.90 3.80 12 -5 0 3.80 4.00 -12 -5 0 1.20 3.80 12 -5 0 2.70 2.90 -12 5 0 2.30 3.40 -12 5 0 1.90 3.40 12 5 0 -2.30 4.20 12 5 0 -0.80 4.30 13 -5 0 -3.80 4.30 -13 -5 0 0.00 4.50 -13 -5 0 -0.20 4.20 13 -5 0 -0.90 3.40 13 5 0 9.00 5.00 -13 5 0 -0.50 3.90 -13 5 0 3.00 3.60 14 -5 0 -8.30 3.80 14 -5 0 4.00 4.90 -14 -5 0 2.50 5.00 -14 -5 0 2.10 4.70 -14 5 0 0.00 4.40 14 5 0 3.00 5.40 14 5 0 0.80 5.60 -14 5 0 2.70 4.80 0 -6 0 92.09 3.20 0 -6 0 92.99 3.30 0 6 0 96.49 3.50 0 6 0 97.89 3.40 1 -6 0 201.18 4.50 -1 -6 0 206.18 4.80 -1 -6 0 205.68 5.00 1 -6 0 203.28 4.70 -1 6 0 201.98 4.80 -1 6 0 201.48 5.10 1 6 0 206.58 5.10 2 -6 0 4.70 1.40 -2 -6 0 4.00 1.40 -2 -6 0 1.50 1.50 2 -6 0 5.20 1.10 2 6 0 3.30 1.50 -2 6 0 0.70 1.50 -2 6 0 3.10 1.30 2 6 0 1.70 1.50 3 -6 0 137.89 3.90 -3 -6 0 131.89 4.10 -3 -6 0 134.39 4.50 3 -6 0 124.59 3.30 3 6 0 132.29 4.40 -3 6 0 130.49 3.80 -3 6 0 134.09 4.40 3 6 0 131.29 4.50 -4 -6 0 5.30 1.60 4 -6 0 7.20 1.20 -4 -6 0 4.00 1.80 4 -6 0 7.10 1.60 -4 6 0 6.70 1.90 4 6 0 3.10 1.90 -4 6 0 7.40 1.50 4 6 0 3.80 1.90 -5 -6 0 3.70 1.80 5 -6 0 3.20 1.20 5 -6 0 1.10 1.60 -5 -6 0 0.90 1.70 -5 6 0 2.50 1.50 5 6 0 -0.50 1.90 -5 6 0 1.50 1.80 5 6 0 -0.70 1.80 -6 -6 0 16.10 2.40 6 -6 0 11.90 1.60 6 -6 0 15.50 2.20 -6 -6 0 12.60 2.40 -6 6 0 12.50 1.90 6 6 0 13.80 2.50 -6 6 0 11.80 2.30 6 6 0 13.00 2.20 7 -6 0 72.09 3.30 -7 -6 0 79.99 4.60 -7 -6 0 84.19 5.00 7 -6 0 78.89 4.10 7 6 0 69.19 4.80 -7 6 0 78.99 4.00 7 6 0 77.39 4.80 -7 6 0 76.79 4.50 -8 -6 0 21.20 3.10 8 -6 0 26.30 2.90 8 -6 0 24.60 3.00 -8 -6 0 27.80 3.10 -8 6 0 30.80 3.80 8 6 0 27.00 3.30 8 6 0 25.70 3.40 -8 6 0 28.10 3.10 -9 -6 0 13.40 3.80 9 -6 0 12.40 2.20 9 -6 0 10.90 2.80 -9 -6 0 9.30 3.00 9 6 0 9.90 3.10 -9 6 0 11.50 2.70 9 6 0 11.00 3.30 -9 6 0 9.80 2.80 10 -6 0 8.30 2.30 -10 -6 0 -0.60 2.90 10 -6 0 4.30 3.00 -10 -6 0 1.60 3.00 10 6 0 -2.20 3.30 -10 6 0 6.90 3.10 10 6 0 1.60 3.30 -10 6 0 4.20 2.80 -11 -6 0 7.40 3.70 -11 -6 0 -1.10 3.00 11 -6 0 9.40 3.50 11 -6 0 5.00 2.50 -11 6 0 12.90 3.50 -11 6 0 11.80 3.50 11 6 0 10.70 4.00 11 6 0 8.70 3.80 -12 -6 0 5.30 4.10 12 -6 0 0.20 2.70 -12 -6 0 -2.40 3.90 12 -6 0 7.90 3.70 -12 6 0 1.10 3.40 12 6 0 3.40 4.60 12 6 0 0.60 4.90 -12 6 0 -1.20 3.60 -13 -6 0 12.80 5.10 13 -6 0 20.10 3.60 -13 -6 0 8.20 4.40 13 -6 0 27.60 4.50 13 6 0 19.10 5.70 -13 6 0 10.20 4.30 -13 6 0 19.90 4.10 13 6 0 14.50 5.30 0 -7 0 1.00 1.40 0 -7 0 1.00 1.40 0 7 0 0.10 1.50 0 7 0 -1.90 1.50 -1 -7 0 0.70 1.50 -1 -7 0 -1.00 1.30 1 -7 0 -0.20 1.30 1 -7 0 0.40 1.30 1 7 0 1.20 1.60 -1 7 0 -0.90 1.60 -1 7 0 -0.50 1.50 2 -7 0 148.19 3.90 -2 -7 0 156.88 4.90 2 -7 0 150.98 4.20 -2 -7 0 157.58 4.50 -2 7 0 156.18 4.50 2 7 0 153.58 4.80 -2 7 0 145.79 4.80 2 7 0 151.68 4.90 3 -7 0 80.99 2.80 3 -7 0 80.49 3.40 -3 -7 0 80.09 3.70 -3 7 0 78.29 4.00 3 7 0 78.09 4.10 3 7 0 85.09 4.10 -3 7 0 81.89 3.50 -4 -7 0 69.49 4.10 4 -7 0 75.59 3.40 4 -7 0 75.09 2.80 -4 -7 0 72.29 3.80 4 7 0 65.89 4.00 -4 7 0 68.59 4.10 -4 7 0 69.29 3.40 4 7 0 64.19 4.10 5 -7 0 15.80 2.10 5 -7 0 16.60 1.60 -5 -7 0 18.50 2.50 -5 -7 0 14.00 2.10 -5 7 0 16.80 2.10 -5 7 0 17.80 2.50 5 7 0 14.60 2.50 5 7 0 17.80 2.60 6 -7 0 5.10 1.50 -6 -7 0 2.20 2.10 -6 -7 0 4.00 2.20 6 -7 0 3.00 1.80 6 7 0 4.90 2.30 -6 7 0 3.90 2.20 -6 7 0 2.30 1.80 6 7 0 4.50 2.30 7 -7 0 1.10 1.50 -7 -7 0 3.10 2.40 7 -7 0 -1.20 2.00 -7 -7 0 3.00 2.30 7 7 0 5.80 2.60 -7 7 0 3.50 2.40 7 7 0 1.40 2.50 -7 7 0 1.70 2.00 8 -7 0 7.60 2.50 -8 -7 0 4.80 2.60 -8 -7 0 8.30 2.70 8 -7 0 5.20 1.90 -8 7 0 4.40 2.30 8 7 0 4.90 2.90 8 7 0 7.60 3.00 -8 7 0 6.20 2.70 -9 -7 0 4.60 2.80 9 -7 0 8.90 2.20 -9 -7 0 9.30 3.40 9 -7 0 13.80 2.90 -9 7 0 14.10 3.20 -9 7 0 8.90 2.80 9 7 0 10.80 3.60 9 7 0 4.00 4.90 -10 -7 0 32.30 4.50 10 -7 0 43.40 3.90 10 -7 0 57.59 5.20 10 7 0 39.00 4.50 -10 7 0 45.60 5.20 10 7 0 53.29 6.70 -10 7 0 44.30 5.60 11 -7 0 2.20 2.50 -11 -7 0 -0.80 3.70 11 -7 0 8.60 3.40 -11 7 0 5.40 3.40 -11 7 0 4.40 3.50 11 7 0 1.70 3.50 -12 -7 0 -1.70 4.30 12 -7 0 -3.30 3.40 -12 -7 0 -4.00 4.10 12 -7 0 -2.50 2.70 -12 7 0 -1.10 3.80 -12 7 0 9.30 3.90 12 7 0 -6.20 4.50 -13 -7 0 5.60 5.40 -13 -7 0 5.20 5.00 13 -7 0 -0.50 3.10 13 -7 0 8.60 4.10 -13 7 0 3.60 4.30 13 7 0 6.50 5.50 13 7 0 4.10 4.90 -13 7 0 0.70 4.20 0 -8 0 48.10 3.30 0 -8 0 51.59 3.20 0 8 0 46.30 3.70 0 8 0 48.30 3.50 1 -8 0 213.58 5.30 1 -8 0 208.08 5.20 -1 -8 0 207.88 5.40 -1 -8 0 211.78 5.70 1 8 0 205.28 6.00 -1 8 0 210.18 5.70 -1 8 0 209.58 6.00 2 -8 0 39.60 3.00 -2 -8 0 43.10 3.50 -2 -8 0 43.80 3.20 2 -8 0 38.50 2.60 2 8 0 46.00 3.80 2 8 0 43.90 3.60 -2 8 0 38.90 3.60 -2 8 0 35.00 3.20 -3 -8 0 55.19 3.90 3 -8 0 64.99 3.30 3 -8 0 58.69 2.80 -3 -8 0 61.09 3.60 -3 8 0 59.59 4.00 -3 8 0 56.59 3.50 3 8 0 63.69 4.20 3 8 0 58.39 4.10 4 -8 0 13.40 1.60 4 -8 0 13.20 1.90 -4 -8 0 7.60 2.00 -4 8 0 12.10 2.00 4 8 0 9.70 2.30 -4 8 0 11.50 2.30 4 8 0 10.20 2.40 5 -8 0 17.60 2.20 5 -8 0 19.30 1.80 -5 -8 0 14.50 2.70 -5 -8 0 19.20 2.60 5 8 0 20.50 2.80 5 8 0 13.40 2.50 -5 8 0 15.90 2.20 -5 8 0 17.50 2.70 6 -8 0 11.40 1.70 6 -8 0 10.50 2.10 -6 -8 0 5.70 2.40 -6 -8 0 9.50 2.60 6 8 0 10.50 2.70 6 8 0 9.00 2.70 -6 8 0 9.90 2.70 -6 8 0 11.10 2.30 -7 -8 0 168.88 6.80 -7 -8 0 164.08 6.40 7 -8 0 163.68 4.60 7 -8 0 159.28 5.40 -7 8 0 171.68 6.50 7 8 0 165.68 6.90 -7 8 0 168.08 5.70 7 8 0 170.48 6.80 8 -8 0 -0.60 1.70 -8 -8 0 4.90 3.00 -8 -8 0 2.10 2.90 8 -8 0 -0.70 2.30 -8 8 0 0.30 2.80 -8 8 0 3.10 2.50 8 8 0 2.80 3.00 8 8 0 2.00 4.20 9 -8 0 5.20 2.10 -9 -8 0 8.80 3.10 9 -8 0 4.50 2.70 -9 8 0 3.70 3.00 9 8 0 1.60 3.40 9 8 0 8.80 3.70 -9 8 0 6.00 2.80 10 -8 0 7.20 2.30 10 -8 0 6.80 2.90 -10 -8 0 8.30 4.50 10 8 0 9.70 4.10 -10 8 0 12.10 3.50 10 8 0 9.30 3.80 11 -8 0 14.10 2.70 11 -8 0 20.00 3.40 -11 -8 0 25.50 4.60 -11 8 0 17.70 4.00 -11 8 0 21.70 4.00 11 8 0 18.70 4.70 -12 -8 0 -3.30 4.60 12 -8 0 5.60 3.40 -12 -8 0 2.80 4.40 12 -8 0 0.60 2.60 -12 8 0 -1.40 3.90 12 8 0 -3.00 4.60 12 8 0 -0.30 4.80 -13 -8 0 32.90 5.70 -13 -8 0 27.10 5.90 13 -8 0 32.90 4.00 13 -8 0 28.70 3.20 13 8 0 30.70 6.00 13 8 0 31.50 6.60 -13 8 0 39.70 5.50 -13 8 0 32.10 5.10 0 -9 0 1.00 1.70 0 -9 0 -1.70 1.60 0 9 0 0.50 1.90 0 9 0 1.50 2.00 1 -9 0 8.20 1.90 -1 -9 0 7.60 1.90 -1 -9 0 6.30 2.10 1 -9 0 8.00 1.90 -1 9 0 8.20 2.10 1 9 0 6.50 2.20 -1 9 0 8.80 2.30 -2 -9 0 8.20 2.00 -2 -9 0 5.70 2.20 2 -9 0 6.50 1.80 2 -9 0 9.00 1.70 2 9 0 7.90 2.30 2 9 0 8.60 2.10 -2 9 0 7.60 2.00 -2 9 0 8.30 2.30 -3 -9 0 230.38 6.40 3 -9 0 233.18 5.80 3 -9 0 230.58 5.30 -3 -9 0 239.38 6.90 3 9 0 246.88 7.00 3 9 0 237.38 7.10 -3 9 0 232.38 6.90 -3 9 0 242.18 6.40 -4 -9 0 53.99 4.00 4 -9 0 51.59 2.90 -4 -9 0 46.30 4.40 4 -9 0 51.79 3.50 4 9 0 47.40 4.60 -4 9 0 50.69 3.90 -4 9 0 51.69 4.60 4 9 0 44.80 4.40 5 -9 0 38.90 3.50 -5 -9 0 42.60 4.20 5 -9 0 38.20 2.80 5 9 0 38.30 4.70 -5 9 0 41.70 3.90 -5 9 0 37.50 4.50 5 9 0 40.60 4.50 6 -9 0 3.10 2.10 -6 -9 0 5.20 2.70 6 -9 0 3.50 1.60 -6 -9 0 7.80 2.70 6 9 0 -0.10 2.50 -6 9 0 3.60 2.20 6 9 0 5.50 2.80 -6 9 0 1.10 2.60 -7 -9 0 4.80 2.80 7 -9 0 5.80 1.80 -7 -9 0 2.90 3.10 7 -9 0 6.80 2.30 7 9 0 5.20 3.10 7 9 0 5.60 3.10 -7 9 0 6.30 2.50 -7 9 0 4.60 2.90 -8 -9 0 3.40 2.80 8 -9 0 -1.80 1.80 8 -9 0 2.70 2.40 -8 -9 0 3.00 3.00 8 9 0 3.10 3.20 -8 9 0 -2.10 2.80 -8 9 0 -2.80 2.50 8 9 0 -1.80 3.20 9 -9 0 19.20 2.30 9 -9 0 26.70 3.00 -9 -9 0 24.40 3.70 9 9 0 27.00 4.40 -9 9 0 23.50 3.90 9 9 0 24.70 4.10 -9 9 0 25.70 3.60 10 -9 0 16.50 2.40 -10 -9 0 13.80 4.30 10 -9 0 12.90 2.90 10 9 0 12.50 4.20 -10 9 0 18.60 3.80 -10 9 0 21.00 4.00 11 -9 0 24.30 2.70 11 -9 0 26.20 3.20 -11 -9 0 22.60 5.30 -11 9 0 31.60 4.40 -11 9 0 26.20 4.30 11 9 0 26.50 5.50 11 9 0 29.50 5.60 12 -9 0 -0.60 2.40 -12 -9 0 -1.30 4.70 -12 -9 0 -6.50 4.30 12 -9 0 1.70 3.00 -12 9 0 -2.70 4.00 12 9 0 -1.50 5.00 12 9 0 7.90 5.60 -12 9 0 -2.30 4.20 0 -10 0 1.30 1.90 0 -10 0 1.10 1.80 0 10 0 2.50 2.10 0 10 0 1.40 2.30 1 -10 0 27.10 3.40 -1 -10 0 26.80 3.40 1 -10 0 34.50 3.40 -1 -10 0 25.90 2.90 -1 10 0 26.30 2.90 1 10 0 25.40 3.10 -1 10 0 27.10 3.10 2 -10 0 3.60 1.70 2 -10 0 2.20 1.90 -2 -10 0 5.40 2.10 -2 -10 0 0.20 2.20 2 10 0 1.70 2.30 -2 10 0 -0.10 2.20 2 10 0 1.90 2.30 -2 10 0 4.00 2.30 3 -10 0 4.80 1.70 -3 -10 0 3.30 2.50 -3 -10 0 5.50 2.20 3 -10 0 2.40 1.90 -3 10 0 1.80 2.20 3 10 0 7.00 2.50 3 10 0 1.90 2.30 -3 10 0 4.40 2.60 -4 -10 0 -0.30 2.40 4 -10 0 5.50 2.00 -4 -10 0 1.60 2.30 4 -10 0 2.80 1.50 4 10 0 0.10 2.60 4 10 0 6.00 2.70 -4 10 0 5.30 2.30 -4 10 0 2.40 2.50 5 -10 0 49.60 3.80 -5 -10 0 42.30 5.10 -5 -10 0 55.69 4.80 5 -10 0 49.70 3.10 -5 10 0 52.79 5.20 5 10 0 48.10 5.50 -5 10 0 49.60 4.40 5 10 0 47.60 5.10 -6 -10 0 5.80 2.90 6 -10 0 7.70 2.30 6 -10 0 11.60 2.00 -6 10 0 9.40 3.10 6 10 0 6.30 3.20 -6 10 0 8.50 2.60 6 10 0 8.30 3.20 -7 -10 0 23.50 3.60 7 -10 0 24.10 2.30 7 -10 0 28.90 2.80 -7 -10 0 29.70 3.80 -7 10 0 26.30 3.30 -7 10 0 28.80 3.80 7 10 0 28.60 4.00 7 10 0 27.90 3.90 8 -10 0 6.40 2.00 -8 -10 0 12.20 3.30 8 -10 0 8.90 2.50 -8 -10 0 9.80 3.50 -8 10 0 5.70 3.10 8 10 0 6.30 3.40 -8 10 0 11.40 3.50 8 10 0 6.30 3.90 9 -10 0 -1.80 2.40 9 -10 0 -1.20 1.90 -9 -10 0 -3.80 3.10 9 10 0 -2.30 4.40 9 10 0 -7.40 5.40 -9 10 0 -5.10 3.20 10 -10 0 1.00 2.00 10 -10 0 6.00 2.60 -10 -10 0 10.20 4.40 -10 10 0 -3.10 3.60 -10 10 0 -1.00 3.70 10 10 0 4.20 4.50 -11 -10 0 8.80 4.50 -11 -10 0 2.40 4.60 -11 10 0 14.20 4.30 11 10 0 11.60 5.70 -11 10 0 12.80 4.60 11 10 0 11.60 4.90 -12 -10 0 -7.30 5.00 -12 -10 0 3.40 5.60 12 10 0 -8.10 5.90 12 10 0 1.90 5.40 -12 10 0 11.20 4.50 -12 10 0 -4.30 4.40 0 -11 0 -1.50 1.90 0 -11 0 0.50 2.10 0 11 0 -2.00 2.40 0 11 0 3.00 2.50 1 -11 0 -0.60 2.00 1 -11 0 2.40 2.10 -1 -11 0 -1.70 2.30 -1 -11 0 3.00 2.20 1 11 0 2.80 2.60 -1 11 0 1.10 2.30 -1 11 0 2.40 2.60 -2 -11 0 10.00 2.50 2 -11 0 10.20 2.30 -2 -11 0 10.80 2.70 2 -11 0 7.60 2.00 2 11 0 8.00 2.70 -2 11 0 9.10 2.60 2 11 0 11.10 3.00 -2 11 0 2.20 2.80 3 -11 0 116.69 4.70 -3 -11 0 118.99 5.90 3 -11 0 104.49 4.10 -3 -11 0 112.99 5.30 -3 11 0 112.39 5.60 -3 11 0 105.49 6.00 3 11 0 106.19 6.10 3 11 0 108.79 5.90 -4 -11 0 6.40 2.60 4 -11 0 6.20 1.80 4 -11 0 5.50 2.20 -4 -11 0 4.90 2.80 -4 11 0 6.60 2.60 4 11 0 7.30 2.90 -4 11 0 4.90 3.00 4 11 0 5.30 3.00 5 -11 0 67.59 4.20 5 -11 0 68.19 3.60 -5 -11 0 70.79 5.90 -5 -11 0 64.39 5.40 -5 11 0 65.49 5.10 -5 11 0 72.79 6.10 5 11 0 47.30 5.60 5 11 0 62.99 6.00 -6 -11 0 1.20 3.20 -6 -11 0 5.10 3.30 6 -11 0 4.40 2.20 6 -11 0 1.90 1.80 6 11 0 0.10 3.10 -6 11 0 -1.10 2.70 6 11 0 -5.20 3.00 -6 11 0 4.30 3.20 7 -11 0 0.30 2.30 7 -11 0 -0.80 1.80 -7 -11 0 -5.70 3.00 -7 11 0 0.80 3.10 7 11 0 6.20 3.60 -7 11 0 -1.20 2.90 -8 -11 0 -2.20 2.90 8 -11 0 -4.40 2.30 8 -11 0 -3.70 1.80 -8 11 0 -2.40 3.40 -8 11 0 -0.40 3.30 9 -11 0 9.00 2.50 9 -11 0 2.40 1.90 -9 -11 0 5.90 4.10 -9 11 0 15.50 4.00 -9 11 0 11.80 3.80 9 11 0 8.00 4.50 -10 -11 0 4.70 4.30 -10 -11 0 13.00 4.30 -10 11 0 10.20 4.10 10 11 0 5.50 4.80 10 11 0 13.10 5.30 -10 11 0 12.30 4.20 -11 -11 0 7.90 5.10 -11 -11 0 20.80 5.30 -11 11 0 23.70 5.60 11 11 0 6.10 5.30 11 11 0 6.60 6.10 -11 11 0 19.00 4.80 0 -12 0 5.30 2.50 0 -12 0 8.10 2.40 0 12 0 5.90 3.00 0 12 0 2.20 2.80 -1 -12 0 3.60 2.40 1 -12 0 -2.00 2.20 -1 -12 0 -3.40 2.50 1 -12 0 -1.70 2.20 -1 12 0 -2.40 2.80 -1 12 0 -3.10 2.50 1 12 0 -2.70 2.80 2 -12 0 -0.60 2.00 2 -12 0 -0.10 2.20 -2 -12 0 -3.60 2.60 -2 -12 0 -0.40 2.40 2 12 0 2.10 3.00 -2 12 0 -1.30 2.90 -2 12 0 -2.90 2.50 2 12 0 -2.40 2.90 -3 -12 0 -4.90 2.70 -3 -12 0 -0.80 2.50 3 -12 0 0.60 2.20 3 -12 0 -2.20 1.80 -3 12 0 -0.60 2.90 3 12 0 0.20 2.90 -3 12 0 -6.40 2.60 3 12 0 -2.40 2.90 4 -12 0 3.30 2.30 -4 -12 0 2.20 3.10 4 -12 0 1.90 1.80 -4 -12 0 6.60 2.90 -4 12 0 0.70 3.20 -4 12 0 1.10 2.80 4 12 0 4.40 3.30 4 12 0 1.10 4.90 -5 -12 0 8.40 5.40 5 -12 0 15.30 2.20 -5 -12 0 16.90 3.70 5 -12 0 14.10 2.60 -5 12 0 17.10 3.30 -5 12 0 16.00 3.80 5 12 0 10.50 3.50 5 12 0 11.30 3.80 -6 -12 0 -0.80 2.90 6 -12 0 -1.10 2.20 6 -12 0 -0.40 1.90 -6 -12 0 4.90 3.30 -6 12 0 3.90 3.60 -6 12 0 -2.60 2.90 6 12 0 -3.30 3.50 7 -12 0 7.40 2.40 7 -12 0 5.10 2.00 -7 -12 0 5.90 4.20 -7 -12 0 -2.20 3.10 -7 12 0 1.80 3.70 -7 12 0 0.60 3.50 7 12 0 5.50 5.90 8 -12 0 7.20 2.10 8 -12 0 6.70 2.40 -8 12 0 9.00 3.80 8 12 0 11.30 4.50 -8 12 0 10.10 4.00 9 -12 0 -3.10 1.70 -9 -12 0 -3.40 4.30 9 12 0 6.60 4.90 -9 12 0 2.90 3.80 -9 12 0 2.80 3.90 9 12 0 -1.10 4.50 -10 -12 0 10.50 4.80 -10 -12 0 5.00 5.00 -10 12 0 6.00 5.20 -10 12 0 8.30 4.30 10 12 0 1.40 5.50 10 12 0 -4.60 4.70 -11 -12 0 2.90 5.50 -11 -12 0 -2.60 5.50 -11 12 0 9.40 4.80 11 12 0 -1.30 6.50 -11 12 0 -5.90 4.60 11 12 0 -6.40 5.40 0 -13 0 1.40 2.60 0 -13 0 -1.90 2.60 0 13 0 -2.70 3.20 0 13 0 2.20 3.40 -1 -13 0 7.90 2.90 -1 -13 0 5.20 3.00 1 -13 0 12.50 2.70 1 -13 0 11.40 2.80 1 13 0 6.50 3.40 1 13 0 5.60 3.70 -1 13 0 9.50 3.60 -1 13 0 12.90 3.50 2 -13 0 4.40 2.30 2 -13 0 3.60 2.40 -2 -13 0 1.40 2.70 -2 -13 0 -0.50 3.00 -2 13 0 3.80 3.00 -2 13 0 4.00 3.40 2 13 0 5.60 3.60 -3 -13 0 122.69 6.30 3 -13 0 123.49 4.90 3 -13 0 122.59 5.30 -3 -13 0 124.99 6.90 -3 13 0 138.59 7.60 -3 13 0 130.49 6.70 3 13 0 111.79 7.40 3 13 0 136.19 7.40 4 -13 0 4.30 2.40 4 -13 0 7.80 2.10 -4 -13 0 4.20 3.40 -4 -13 0 7.60 5.00 4 13 0 5.30 3.80 -4 13 0 7.80 3.20 4 13 0 1.40 3.60 -4 13 0 10.90 3.80 -5 -13 0 25.20 4.10 5 -13 0 10.90 2.60 5 -13 0 16.10 2.30 -5 -13 0 13.20 3.40 5 13 0 17.30 4.20 -5 13 0 14.90 3.60 -5 13 0 14.30 4.00 5 13 0 3.10 4.80 -6 -13 0 -0.50 3.80 6 -13 0 0.10 2.00 6 -13 0 3.60 2.40 -6 -13 0 -0.80 3.30 6 13 0 6.30 4.60 -6 13 0 0.70 3.80 -7 -13 0 -7.00 3.90 7 -13 0 -1.30 1.90 7 -13 0 0.50 2.40 7 13 0 -7.70 4.20 -7 13 0 2.80 4.00 -7 13 0 2.50 3.60 8 -13 0 -2.10 2.20 -8 -13 0 6.30 4.60 -8 -13 0 -2.10 4.10 8 -13 0 -1.60 1.90 -8 13 0 -2.40 3.70 8 13 0 -6.40 4.60 -8 13 0 -2.80 4.00 -9 -13 0 22.90 5.30 9 13 0 23.90 5.70 9 13 0 18.60 5.70 -9 13 0 19.30 4.60 -9 13 0 30.00 5.20 -10 -13 0 -3.60 5.20 10 13 0 2.70 5.70 -10 13 0 7.10 4.70 -10 13 0 -3.80 4.50 10 13 0 13.00 6.10 0 -14 0 137.19 6.50 0 -14 0 135.69 6.30 0 14 0 127.79 7.80 -1 -14 0 108.29 6.40 1 -14 0 116.49 5.80 1 -14 0 111.29 5.70 -1 -14 0 106.89 6.10 -1 14 0 101.79 9.60 -1 14 0 116.99 7.60 1 14 0 122.49 7.80 1 14 0 104.39 7.60 -2 -14 0 1.40 3.10 2 -14 0 1.30 2.50 -2 -14 0 3.70 3.30 2 -14 0 2.90 2.50 2 14 0 5.40 3.70 -2 14 0 4.60 3.60 2 14 0 3.80 3.80 -3 -14 0 4.60 3.60 3 -14 0 8.50 2.50 -3 -14 0 1.80 5.50 3 -14 0 7.60 2.70 -3 14 0 2.50 5.20 3 14 0 1.60 3.70 3 14 0 2.80 3.80 -3 14 0 3.60 3.80 -4 -14 0 0.10 3.20 -4 -14 0 -2.00 3.30 4 -14 0 0.90 2.10 4 -14 0 1.70 2.50 4 14 0 -3.30 4.50 -4 14 0 1.10 3.70 -4 14 0 -5.70 3.40 4 14 0 -2.00 3.90 -5 -14 0 -1.60 3.60 5 -14 0 5.30 2.20 5 -14 0 5.20 2.60 -5 -14 0 0.60 3.90 5 14 0 8.10 4.20 -5 14 0 7.20 3.80 -5 14 0 7.20 4.10 -6 -14 0 11.00 4.40 6 -14 0 6.90 2.20 6 -14 0 1.00 2.50 -6 14 0 2.10 4.20 -6 14 0 2.20 3.80 6 14 0 7.10 4.70 7 -14 0 33.60 3.60 -7 -14 0 31.90 5.20 7 -14 0 28.60 2.90 -7 -14 0 32.50 6.40 7 14 0 40.80 6.10 -7 14 0 34.30 5.20 -7 14 0 35.00 4.90 -8 -14 0 5.50 4.60 -8 -14 0 -1.50 4.90 8 14 0 -0.60 5.00 8 14 0 11.60 5.80 -8 14 0 3.00 4.20 -8 14 0 17.80 5.30 -9 -14 0 -0.10 5.60 -9 -14 0 -7.00 4.80 9 14 0 3.00 5.90 -9 14 0 11.20 4.90 -9 14 0 5.70 4.70 9 14 0 -1.90 5.50 0 -15 0 14.20 3.40 1 -15 0 45.90 5.20 -1 -15 0 34.50 4.00 1 -15 0 30.30 3.70 -1 -15 0 34.40 4.20 -1 15 0 31.90 4.70 -1 15 0 27.80 5.00 1 15 0 32.60 5.00 1 15 0 31.80 5.00 -2 -15 0 14.90 3.80 2 -15 0 18.10 3.10 2 -15 0 19.40 3.40 -2 -15 0 19.90 6.10 -2 15 0 22.80 4.60 2 15 0 17.50 5.00 2 15 0 18.50 4.40 -2 15 0 18.60 4.20 3 -15 0 2.90 2.80 -3 -15 0 -2.30 3.40 -3 -15 0 -5.70 3.50 3 -15 0 3.90 2.50 -3 15 0 -2.80 3.90 3 15 0 2.50 5.30 3 15 0 5.80 4.30 -3 15 0 1.30 3.90 -4 -15 0 16.50 4.10 -4 -15 0 14.70 4.20 4 -15 0 8.90 2.60 4 -15 0 9.50 2.90 4 15 0 12.00 4.90 -4 15 0 15.30 4.20 -4 15 0 15.00 4.50 4 15 0 6.60 4.80 5 -15 0 5.50 2.40 5 -15 0 6.00 2.80 -5 -15 0 -5.40 4.20 -5 -15 0 8.60 4.60 -5 15 0 7.90 4.10 5 15 0 -3.00 4.20 5 15 0 -1.20 4.70 -5 15 0 0.30 4.20 6 -15 0 -1.40 2.30 6 -15 0 -1.30 2.50 -6 -15 0 2.50 4.60 -6 15 0 2.40 4.20 -6 15 0 8.30 4.50 6 15 0 -2.60 4.60 6 15 0 1.00 5.10 7 -15 0 0.00 2.10 -7 -15 0 0.00 4.60 -7 -15 0 -7.50 4.90 7 -15 0 -2.70 2.40 7 15 0 -3.20 5.20 7 15 0 -0.60 5.30 -7 15 0 -8.60 4.20 -8 -15 0 -9.80 5.00 -8 -15 0 -1.10 5.50 -8 15 0 3.70 5.00 8 15 0 -1.40 6.10 -8 15 0 0.80 4.80 8 15 0 -11.00 4.90 0 -16 0 51.39 6.20 0 -16 0 62.29 6.30 1 -16 0 35.00 4.10 1 -16 0 32.80 3.90 -1 -16 0 37.20 7.10 -1 -16 0 29.10 4.50 -1 16 0 26.90 6.80 1 16 0 37.80 5.30 1 16 0 40.20 5.70 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17 0 0.90 5.20 -2 -17 0 20.00 4.60 -2 -17 0 27.60 5.00 2 -17 0 25.00 4.00 2 -17 0 23.20 3.60 2 17 0 19.30 6.10 -2 17 0 31.30 5.70 2 17 0 21.80 5.40 -2 17 0 25.30 5.80 -3 -17 0 12.30 4.70 3 -17 0 9.30 3.50 3 -17 0 13.10 3.20 -3 17 0 4.70 5.20 3 17 0 8.40 5.60 -3 17 0 13.50 5.00 3 17 0 13.40 5.80 -4 -17 0 35.20 5.80 4 -17 0 25.80 3.70 4 -17 0 19.20 3.20 4 17 0 23.70 6.30 4 17 0 22.20 6.00 -4 17 0 34.50 5.80 -4 17 0 38.00 6.10 -5 -17 0 -1.30 4.80 5 -17 0 1.60 3.10 5 -17 0 -0.10 2.70 -5 -17 0 9.20 5.60 -5 17 0 3.80 5.20 5 17 0 -2.70 5.80 5 17 0 8.90 6.70 -5 17 0 -0.40 5.50 -6 -17 0 -7.90 5.10 6 -17 0 3.30 2.50 -6 -17 0 12.60 5.80 6 -17 0 1.10 2.90 -6 17 0 2.50 5.40 6 17 0 6.30 6.40 -6 17 0 2.80 5.70 6 17 0 14.40 6.70 0 -18 0 20.90 4.20 0 -18 0 13.50 4.60 0 18 0 21.50 6.30 0 18 0 12.70 6.40 1 -18 0 6.20 3.80 -1 -18 0 4.70 4.50 -1 -18 0 2.30 4.40 1 -18 0 0.00 4.40 1 18 0 14.40 6.10 -1 18 0 -3.10 5.80 1 18 0 4.30 6.40 -2 -18 0 -2.80 4.40 2 -18 0 -3.40 3.30 -2 -18 0 -4.70 4.70 2 -18 0 4.70 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8 8 -3 5.70 3.20 8 8 -3 0.50 2.70 -7 -8 3 3.40 2.60 -7 -8 3 4.80 2.50 7 8 -3 3.60 2.70 -7 8 3 2.20 1.80 -7 8 3 3.60 2.30 7 8 -3 3.90 2.80 -6 -8 3 145.89 5.90 -6 8 3 152.98 4.50 -6 8 3 152.08 5.20 6 8 -3 153.88 6.50 6 8 -3 155.28 5.90 -5 -8 3 3.00 2.20 -5 -8 3 0.70 2.10 5 8 -3 1.30 2.40 -5 8 3 2.40 1.90 5 8 -3 3.10 2.30 -5 8 3 0.10 1.50 -4 -8 3 91.99 4.80 -4 -8 3 89.09 4.70 4 8 -3 82.29 5.10 -4 8 3 87.49 3.40 -4 8 3 89.19 3.80 4 8 -3 92.79 4.70 -3 -8 3 3.20 2.10 -3 -8 3 4.30 2.00 3 8 -3 1.70 2.20 3 8 -3 5.10 2.20 -3 8 3 6.20 1.60 -3 8 3 7.50 1.70 -2 -8 3 89.99 4.50 2 -8 -3 77.09 2.30 2 -8 -3 77.29 2.30 -2 -8 3 84.49 4.40 2 8 -3 88.89 4.90 -2 8 3 77.89 3.50 -2 8 3 78.49 3.60 1 -8 -3 1.80 1.10 -1 -8 3 3.20 2.10 -1 -8 3 2.70 1.90 1 -8 -3 0.50 1.20 1 8 -3 2.80 2.00 -1 8 3 -1.00 1.50 -1 8 3 -1.00 1.50 1 8 -3 2.30 2.00 0 -8 3 3.10 1.90 0 -8 -3 5.00 1.50 0 -8 -3 6.10 1.30 0 -8 3 5.80 2.10 0 8 3 3.90 1.60 0 8 -3 1.00 2.10 0 8 -3 4.80 2.00 1 -8 3 0.80 1.70 -1 -8 -3 -0.80 1.30 1 -8 3 -1.50 1.90 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1.70 3.90 10 9 -3 4.20 3.80 -9 -9 3 -3.50 3.40 9 9 -3 -0.10 3.20 -9 9 3 1.90 2.40 9 9 -3 5.60 3.70 -9 9 3 -0.70 2.80 -8 -9 3 49.80 5.80 8 9 -3 54.19 6.40 -8 9 3 45.00 4.90 -8 9 3 50.89 4.20 -7 -9 3 5.70 3.10 -7 9 3 -0.90 2.40 7 9 -3 -2.30 2.80 -7 9 3 -2.80 1.90 7 9 -3 3.40 3.00 -6 -9 3 -0.90 2.50 6 9 -3 6.10 2.60 6 9 -3 0.10 2.70 -6 9 3 -0.60 1.80 -6 9 3 1.10 2.30 -5 -9 3 0.70 2.40 -5 -9 3 3.00 2.30 -5 9 3 0.60 1.80 -5 9 3 1.30 2.10 5 9 -3 0.10 2.60 5 9 -3 1.50 2.40 -4 -9 3 73.59 4.90 -4 -9 3 69.49 5.00 4 9 -3 69.09 5.20 -4 9 3 68.49 3.60 -4 9 3 70.19 4.00 4 9 -3 79.09 4.90 -3 -9 3 46.80 4.30 -3 -9 3 45.50 4.40 -3 9 3 50.29 3.70 -3 9 3 48.20 3.40 3 9 -3 48.40 4.40 3 9 -3 44.10 4.70 2 -9 -3 75.39 2.50 2 -9 -3 73.49 2.50 -2 -9 3 79.69 4.70 -2 -9 3 83.99 4.70 2 9 -3 81.09 5.10 -2 9 3 78.49 3.90 -2 9 3 76.79 3.90 -1 -9 3 29.20 2.90 1 -9 -3 31.00 2.30 1 -9 -3 26.00 2.50 -1 -9 3 30.30 4.00 -1 9 3 32.20 3.30 1 9 -3 30.90 3.90 1 9 -3 32.60 4.30 -1 9 3 29.80 3.30 0 -9 3 56.59 4.10 0 -9 3 57.69 4.40 0 -9 -3 57.19 2.90 0 -9 -3 55.79 3.30 0 9 3 56.39 3.70 0 9 -3 57.19 4.70 0 9 -3 59.59 4.30 1 -9 3 1.70 2.20 -1 -9 -3 0.80 1.50 -1 -9 -3 -0.50 1.70 1 -9 3 -1.90 1.90 -1 9 -3 -0.50 2.00 1 9 3 1.40 1.90 1 9 3 -2.80 1.80 -1 9 -3 -2.40 2.30 -2 -9 -3 1.90 1.60 2 -9 3 0.30 1.80 2 -9 3 1.20 2.10 -2 -9 -3 -1.50 1.80 -2 9 -3 0.00 2.40 2 9 3 3.30 2.10 2 9 3 -0.30 2.00 -2 9 -3 2.90 2.20 3 -9 3 3.10 2.40 -3 -9 -3 6.30 1.90 3 -9 3 3.50 1.80 -3 -9 -3 0.90 2.20 3 9 3 0.80 2.10 -3 9 -3 3.40 2.80 3 9 3 5.60 2.30 -3 9 -3 -0.50 2.20 4 -9 3 21.70 2.40 -4 -9 -3 22.60 2.60 4 -9 3 23.30 3.10 4 9 3 22.20 2.90 -4 9 -3 20.90 2.90 -4 9 -3 19.80 3.30 4 9 3 20.90 2.90 -5 -9 -3 2.90 2.50 -5 -9 -3 2.60 2.30 5 -9 3 2.30 2.70 5 -9 3 8.40 2.10 5 9 3 7.50 3.00 5 9 3 7.50 2.60 -5 9 -3 3.50 2.60 -5 9 -3 5.10 2.80 6 -9 3 61.09 4.10 6 -9 3 60.59 5.60 -6 -9 -3 59.69 5.40 -6 -9 -3 62.59 5.10 -6 9 -3 52.79 5.30 6 9 3 59.99 5.50 -6 9 -3 56.19 5.60 6 9 3 58.89 5.40 7 -9 3 5.70 2.30 -7 -9 -3 7.10 3.10 -7 -9 -3 8.70 3.80 7 -9 3 0.20 3.20 7 9 3 6.30 3.20 -7 9 -3 0.60 3.00 -7 9 -3 2.90 3.20 7 9 3 5.00 3.20 -8 -9 -3 4.30 3.20 8 -9 3 1.40 2.40 -8 -9 -3 4.10 3.20 8 -9 3 5.00 3.60 -8 9 -3 1.40 3.30 -8 9 -3 -0.70 3.10 8 9 3 5.20 3.20 -9 -9 -3 1.00 3.30 9 -9 3 -3.20 3.80 9 -9 3 1.50 2.70 -9 9 -3 5.40 3.70 9 9 3 4.00 4.00 -9 9 -3 8.90 3.70 -10 -9 -3 -3.90 3.80 -10 -9 -3 2.10 3.70 10 -9 3 6.80 4.50 10 -9 3 2.00 3.00 10 9 3 -5.70 4.30 -10 9 -3 -3.80 3.80 10 9 3 -0.70 4.30 11 -9 3 0.00 3.30 -11 -9 -3 -3.00 4.40 -11 -9 -3 7.90 4.80 11 -9 3 -1.60 5.00 11 9 3 -8.20 4.60 11 9 3 1.90 4.80 -11 9 -3 -3.50 4.40 -11 9 -3 -1.90 4.30 12 -9 3 19.90 4.10 -12 -9 -3 3.30 5.30 -12 -9 -3 25.80 5.40 12 -9 3 20.70 6.10 12 9 3 10.10 5.90 12 9 3 8.50 6.30 -12 9 -3 22.50 5.70 -12 9 -3 31.70 5.60 -12 -10 3 -2.20 5.00 -12 -10 3 9.30 5.50 -12 10 3 1.70 3.90 12 10 -3 5.90 5.70 -12 10 3 6.20 3.80 12 10 -3 7.50 5.30 -11 -10 3 -5.20 4.20 -11 -10 3 0.50 4.40 11 10 -3 2.50 4.80 11 10 -3 -5.40 6.50 -11 10 3 6.70 3.70 -11 10 3 -1.20 3.50 -10 -10 3 5.90 4.00 -10 10 3 6.00 3.30 10 10 -3 4.70 4.40 -10 10 3 1.10 3.00 -9 -10 3 3.00 3.90 9 10 -3 -0.40 3.50 -9 10 3 8.00 3.20 9 10 -3 6.50 4.10 -9 10 3 6.10 2.70 -8 10 3 13.90 2.70 8 10 -3 18.30 3.80 8 10 -3 12.30 3.80 -8 10 3 16.10 3.30 -7 -10 3 6.00 3.00 7 10 -3 4.70 3.50 -7 10 3 2.00 2.20 7 10 -3 4.80 3.40 -7 10 3 4.00 2.90 -6 -10 3 112.19 6.20 -6 -10 3 97.99 6.20 6 10 -3 104.39 6.20 -6 10 3 106.89 4.70 -6 10 3 105.19 5.50 6 10 -3 105.29 6.90 -5 -10 3 -0.90 2.80 -5 -10 3 1.70 2.60 5 10 -3 -1.20 2.60 -5 10 3 0.10 2.40 5 10 -3 4.80 2.90 -5 10 3 -0.60 1.90 -4 -10 3 7.70 2.70 -4 -10 3 3.70 2.60 -4 10 3 8.50 2.20 4 10 -3 7.40 3.00 4 10 -3 9.60 2.80 -4 10 3 9.30 2.50 -3 -10 3 -1.10 2.40 3 -10 -3 1.50 1.00 -3 -10 3 0.30 2.40 3 -10 -3 2.70 1.00 -3 10 3 2.10 2.20 -3 10 3 2.30 2.00 3 10 -3 -2.90 2.30 3 10 -3 -0.60 2.70 2 -10 -3 37.60 2.40 -2 -10 3 37.80 4.50 -2 -10 3 37.10 4.50 2 -10 -3 38.30 2.40 -2 10 3 39.10 3.70 2 10 -3 35.50 3.80 -2 10 3 36.50 3.80 1 -10 -3 15.20 1.80 -1 -10 3 9.70 2.60 1 -10 -3 12.90 1.90 -1 -10 3 13.50 2.70 1 10 -3 16.00 2.80 1 10 -3 12.20 2.90 -1 10 3 10.40 2.30 -1 10 3 12.70 2.40 0 -10 -3 4.80 1.90 0 -10 3 5.90 2.30 0 -10 3 7.60 2.60 0 -10 -3 7.70 1.80 0 10 -3 6.70 2.80 0 10 -3 8.50 2.50 0 10 3 7.90 2.20 -1 -10 -3 3.00 1.70 -1 -10 -3 2.00 2.00 1 -10 3 0.50 2.30 1 -10 3 0.20 2.20 1 10 3 1.60 2.10 1 10 3 1.90 2.10 -1 10 -3 0.20 2.50 -1 10 -3 2.40 2.40 -2 -10 -3 99.69 4.30 -2 -10 -3 97.59 4.90 2 -10 3 91.99 4.70 2 -10 3 99.09 5.40 -2 10 -3 100.29 5.40 -2 10 -3 94.79 6.00 2 10 3 90.99 5.00 2 10 3 92.79 5.20 -3 -10 -3 1.70 2.00 3 -10 3 -1.60 2.50 -3 -10 -3 -2.90 2.20 3 -10 3 0.50 1.90 3 10 3 0.20 2.50 -3 10 -3 1.00 2.50 3 10 3 -1.70 2.30 -3 10 -3 0.00 2.80 -4 -10 -3 5.70 2.30 -4 -10 -3 0.20 2.50 4 -10 3 2.00 2.70 4 -10 3 2.30 2.00 -4 10 -3 0.20 2.50 4 10 3 4.90 2.70 4 10 3 0.50 2.40 -4 10 -3 2.00 3.00 5 -10 3 12.10 2.40 5 -10 3 13.20 3.30 -5 -10 -3 9.40 2.70 5 10 3 6.20 3.00 -5 10 -3 12.40 3.10 -5 10 -3 7.40 3.20 5 10 3 4.50 3.10 -6 -10 -3 23.60 3.40 -6 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5.60 -2 11 3 48.20 4.60 1 -11 -3 7.00 1.70 -1 -11 3 0.60 2.60 1 -11 -3 4.10 1.80 -1 -11 3 1.70 2.60 -1 11 3 1.50 2.30 -1 11 3 3.80 2.50 1 11 -3 3.10 2.80 1 11 -3 0.40 2.90 0 -11 -3 15.30 2.10 0 -11 3 13.60 2.80 0 -11 3 8.90 2.80 0 -11 -3 12.50 2.30 0 11 3 13.90 2.80 0 11 -3 13.30 3.10 0 11 -3 10.60 3.30 0 11 3 11.90 2.80 -1 -11 -3 4.90 2.10 -1 -11 -3 4.60 2.30 1 -11 3 11.20 2.60 1 -11 3 5.00 2.70 -1 11 -3 3.80 2.80 1 11 3 3.50 2.50 -1 11 -3 4.90 3.10 1 11 3 4.60 2.50 -2 -11 -3 52.89 4.70 -2 -11 -3 58.59 4.00 2 -11 3 63.89 5.30 2 -11 3 58.89 4.50 2 11 3 54.09 5.00 -2 11 -3 54.59 5.20 -2 11 -3 51.89 5.90 2 11 3 46.20 5.10 3 -11 3 4.40 2.80 3 -11 3 0.20 2.20 -3 -11 -3 3.50 2.20 -3 -11 -3 3.30 2.70 -3 11 -3 0.40 3.10 3 11 3 0.30 2.60 3 11 3 2.90 2.90 -3 11 -3 0.50 2.80 -4 -11 -3 154.88 6.80 4 -11 3 159.28 5.60 -4 -11 -3 150.88 6.00 4 -11 3 165.88 6.90 4 11 3 168.18 7.20 4 11 3 157.68 7.00 -4 11 -3 159.18 7.60 -4 11 -3 161.48 7.00 5 -11 3 24.40 3.70 -5 -11 -3 14.50 3.40 -5 -11 -3 19.00 3.20 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2.10 -7 3 4 12.80 1.50 -6 -3 4 1.50 1.50 -6 -3 4 2.70 1.60 6 3 -4 -0.40 1.60 -6 3 4 0.90 1.00 -6 3 4 1.00 1.10 6 3 -4 -0.20 1.40 -5 -3 4 0.40 1.50 -5 -3 4 1.90 1.50 5 3 -4 0.40 1.30 -5 3 4 0.10 0.70 5 3 -4 0.40 1.50 -5 3 4 0.20 0.90 -4 -3 4 56.19 3.10 -4 -3 4 54.39 2.80 4 3 -4 53.39 3.00 4 3 -4 59.39 2.70 -3 -3 4 3.50 1.30 3 3 -4 1.70 1.30 3 3 -4 3.20 1.20 -2 -3 4 83.49 3.00 -2 -3 4 86.89 3.30 2 3 -4 88.29 3.30 -1 -3 4 51.99 2.60 -1 -3 4 51.59 2.90 1 3 -4 49.60 2.90 1 3 -4 53.69 2.50 -1 3 4 49.40 1.40 0 -3 4 867.81 13.80 0 -3 -4 841.32 12.70 0 -3 4 844.42 14.10 0 -3 -4 852.61 12.90 0 3 4 837.02 12.90 0 3 -4 851.91 13.80 0 3 -4 861.31 14.10 0 3 4 842.72 13.00 -1 -3 -4 21.80 1.70 -1 -3 -4 16.00 1.70 1 -3 4 17.50 2.10 1 -3 4 18.20 1.90 1 3 4 20.90 1.90 -1 3 -4 18.30 2.20 1 3 4 19.90 1.70 -1 3 -4 18.30 1.90 2 -3 4 23.90 2.90 -2 -3 -4 23.90 2.00 2 -3 4 27.80 2.20 -2 -3 -4 25.10 2.20 2 3 4 23.90 2.10 -2 3 -4 31.80 2.50 2 3 4 24.90 2.30 -2 3 -4 29.20 2.70 -3 -3 -4 35.40 2.80 3 -3 4 38.00 3.20 -3 -3 -4 36.60 2.50 3 -3 4 38.90 2.50 -3 3 -4 36.00 3.00 -3 3 -4 37.10 2.70 3 3 4 39.10 2.60 3 3 4 37.70 2.80 4 -3 4 1.70 1.30 -4 -3 -4 0.30 1.50 4 -3 4 -2.20 1.80 -4 -3 -4 2.40 1.40 4 3 4 0.80 1.40 -4 3 -4 -1.00 1.50 -4 3 -4 -1.10 1.60 4 3 4 0.90 1.60 5 -3 4 73.89 3.50 -5 -3 -4 71.69 3.70 5 -3 4 74.69 4.50 -5 -3 -4 72.49 3.90 -5 3 -4 73.79 4.10 5 3 4 72.69 3.70 5 3 4 64.59 4.00 -5 3 -4 74.99 3.80 -6 -3 -4 31.10 3.40 -6 -3 -4 22.30 2.60 6 -3 4 28.20 3.20 6 -3 4 25.60 3.30 -6 3 -4 32.50 3.80 6 3 4 26.70 3.40 -6 3 -4 25.90 2.70 6 3 4 31.90 3.80 7 -3 4 51.69 3.90 7 -3 4 37.10 4.90 -7 -3 -4 42.50 4.20 -7 -3 -4 51.99 4.20 -7 3 -4 50.39 4.30 7 3 4 45.90 4.20 7 3 4 49.80 4.70 -7 3 -4 48.40 4.40 8 -3 4 109.19 5.00 -8 -3 -4 109.39 5.80 -8 -3 -4 107.39 5.50 8 -3 4 107.59 6.50 8 3 4 106.49 6.10 8 3 4 110.99 5.60 -8 3 -4 116.09 5.60 -8 3 -4 110.59 5.70 9 -3 4 -4.40 3.20 -9 -3 -4 4.10 2.80 -9 -3 -4 -1.60 2.70 9 -3 4 1.30 2.50 -9 3 -4 4.50 3.00 9 3 4 4.10 2.80 9 3 4 -3.60 4.10 -10 -3 -4 3.10 3.30 10 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-4 4.70 3.00 -10 4 4 7.90 2.20 -10 4 4 5.40 2.40 -9 -4 4 -1.30 2.30 -9 -4 4 3.80 2.40 9 4 -4 1.90 2.30 -9 4 4 2.70 1.70 9 4 -4 -2.00 2.50 -9 4 4 1.50 2.00 -8 -4 4 7.40 2.30 -8 -4 4 5.90 2.20 8 4 -4 3.90 2.10 8 4 -4 8.80 2.50 -8 4 4 7.30 1.90 -8 4 4 7.10 1.60 -7 -4 4 2.40 1.80 -7 -4 4 -0.70 1.80 -7 4 4 0.90 1.40 7 4 -4 1.30 2.00 -7 4 4 0.00 1.10 7 4 -4 2.40 1.80 -6 -4 4 19.90 2.30 -6 -4 4 18.20 2.30 -6 4 4 23.00 1.80 -6 4 4 23.30 2.00 6 4 -4 26.10 3.30 6 4 -4 22.20 2.90 -5 -4 4 46.90 3.30 -5 -4 4 49.60 3.40 5 4 -4 43.60 3.00 -5 4 4 47.40 1.60 5 4 -4 45.10 3.50 -5 4 4 41.70 2.00 -4 -4 4 120.79 4.30 -4 -4 4 126.69 4.20 4 4 -4 127.79 4.40 4 4 -4 128.69 3.90 -3 -4 4 -1.10 1.40 -3 -4 4 -1.90 1.30 3 4 -4 -0.40 1.20 3 4 -4 -0.90 1.40 -2 -4 4 230.48 5.40 -2 -4 4 231.28 5.60 2 4 -4 231.98 5.60 -1 -4 4 11.90 1.60 -1 -4 4 13.50 1.80 1 4 -4 14.20 1.70 1 4 -4 11.80 1.80 -1 4 4 13.30 1.10 0 -4 -4 15.90 1.30 0 -4 4 13.60 1.80 0 -4 4 13.90 1.60 0 -4 -4 12.50 1.40 0 4 4 18.10 1.50 0 4 4 16.30 1.70 0 4 -4 13.70 1.90 0 4 -4 16.30 1.80 1 -4 4 52.79 3.30 -1 -4 -4 52.79 2.40 1 -4 4 57.69 2.80 -1 -4 -4 56.99 2.20 -1 4 -4 56.09 3.30 1 4 4 55.99 2.30 1 4 4 54.89 2.50 -1 4 -4 57.19 2.90 -2 -4 -4 301.37 6.10 -2 -4 -4 303.77 5.90 2 -4 4 294.27 6.20 2 -4 4 303.27 6.90 2 4 4 303.87 6.20 -2 4 -4 311.27 6.50 2 4 4 295.77 6.00 -3 -4 -4 700.03 12.00 3 -4 4 685.53 12.70 -3 -4 -4 700.03 11.70 3 -4 4 680.33 11.80 3 4 4 689.13 12.10 -3 4 -4 691.33 12.10 -3 4 -4 701.13 12.50 3 4 4 684.13 11.90 4 -4 4 32.00 2.90 -4 -4 -4 32.20 3.20 4 -4 4 33.30 2.70 -4 -4 -4 31.40 2.90 4 4 4 35.10 3.00 -4 4 -4 30.70 3.10 4 4 4 29.10 3.30 -4 4 -4 28.30 3.40 5 -4 4 231.08 5.70 5 -4 4 232.28 6.90 -5 -4 -4 230.48 6.20 -5 -4 -4 225.18 5.80 5 4 4 229.38 6.10 -5 4 -4 238.08 6.60 -5 4 -4 238.08 6.20 5 4 4 218.58 6.30 -6 -4 -4 3.60 2.00 6 -4 4 4.00 2.60 -6 -4 -4 4.60 2.10 6 -4 4 5.40 1.90 -6 4 -4 4.40 2.30 6 4 4 5.10 2.00 6 4 4 6.60 2.30 -6 4 -4 5.70 2.20 7 -4 4 -0.70 2.70 7 -4 4 0.10 2.00 -7 -4 -4 0.90 2.20 -7 -4 -4 -1.20 2.20 -7 4 -4 -1.10 2.20 7 4 4 -2.50 2.30 -7 4 -4 2.60 2.40 7 4 4 -1.00 2.10 -8 -4 -4 10.70 2.90 8 -4 4 14.30 2.60 -8 -4 -4 11.00 3.00 8 -4 4 9.00 3.50 -8 4 -4 8.40 2.90 -8 4 -4 9.50 2.90 8 4 4 6.30 2.70 8 4 4 9.50 3.10 9 -4 4 18.50 2.90 -9 -4 -4 11.20 3.30 -9 -4 -4 15.10 3.10 9 -4 4 18.60 4.10 9 4 4 18.10 3.40 -9 4 -4 14.00 4.30 -9 4 -4 17.70 3.40 9 4 4 13.20 3.40 10 -4 4 78.49 5.60 10 -4 4 79.89 7.70 -10 -4 -4 81.39 7.00 -10 4 -4 86.19 6.20 -10 4 -4 76.39 6.50 10 4 4 73.89 7.40 10 4 4 70.89 6.10 -11 -4 -4 36.20 4.90 11 -4 4 41.10 6.70 11 -4 4 46.10 5.80 -11 4 -4 36.40 4.90 11 4 4 42.80 4.80 -11 4 -4 41.60 4.90 12 -4 4 8.70 5.70 12 -4 4 4.50 3.80 -12 -4 -4 0.00 4.60 -12 -4 -4 3.50 4.60 12 4 4 11.90 4.60 -12 4 -4 4.10 4.30 12 4 4 11.70 5.30 -12 4 -4 10.60 4.20 13 -4 4 6.30 5.90 13 -4 4 -8.80 6.00 -13 -4 -4 -1.10 5.20 -13 -4 -4 -0.20 4.90 13 4 4 3.30 5.60 -13 4 -4 1.60 4.60 13 4 4 8.10 5.20 -13 4 -4 2.40 5.10 -14 -5 4 19.40 5.60 -14 -5 4 13.80 5.20 14 5 -4 16.90 5.20 14 5 -4 15.10 5.10 -14 5 4 17.50 4.20 -14 5 4 8.90 5.10 -13 -5 4 17.50 4.50 -13 -5 4 22.60 4.60 13 5 -4 18.70 4.80 -13 5 4 12.40 3.60 13 5 -4 9.00 4.50 -13 5 4 13.70 3.50 -12 -5 4 -1.50 3.50 -12 -5 4 4.00 5.40 12 5 -4 -1.50 3.60 -12 5 4 4.10 2.90 -12 5 4 -3.50 2.60 12 5 -4 1.50 3.50 -11 -5 4 -1.50 2.90 -11 -5 4 7.70 3.30 11 5 -4 4.30 3.40 11 5 -4 -0.70 3.00 -11 5 4 2.30 2.60 -11 5 4 0.40 2.30 -10 -5 4 2.20 3.00 10 5 -4 -2.60 2.80 -10 5 4 3.00 2.40 -10 5 4 2.50 2.10 10 5 -4 0.60 2.70 -9 -5 4 7.60 2.70 -9 -5 4 6.00 2.70 -9 5 4 6.80 2.20 9 5 -4 5.20 2.50 -9 5 4 5.40 1.90 9 5 -4 4.40 2.80 -8 -5 4 175.28 6.00 -8 -5 4 166.88 6.30 -8 5 4 166.68 5.00 8 5 -4 168.18 6.40 8 5 -4 162.08 5.80 -8 5 4 166.08 4.50 -7 -5 4 53.39 4.20 -7 -5 4 60.99 4.10 7 5 -4 53.29 3.90 -7 5 4 53.99 3.00 7 5 -4 54.89 4.40 -7 5 4 54.99 2.60 -6 -5 4 25.80 2.60 -6 -5 4 27.20 3.60 6 5 -4 27.40 3.60 -6 5 4 27.70 2.30 6 5 -4 30.60 3.40 -6 5 4 26.60 1.90 -5 -5 4 -0.40 1.70 -5 -5 4 -0.40 1.60 -5 5 4 -0.40 1.00 5 5 -4 0.00 1.60 -5 5 4 -0.30 0.80 5 5 -4 2.40 1.90 -4 -5 4 -0.10 1.60 4 5 -4 0.90 1.60 4 5 -4 -0.80 1.80 -3 -5 4 1.50 1.70 -3 -5 4 -3.20 1.40 3 5 -4 -1.50 1.70 3 5 -4 -1.00 1.40 -2 -5 4 180.78 5.00 -2 -5 4 181.08 5.20 2 5 -4 185.38 5.30 -2 5 4 178.38 3.50 -2 5 4 174.88 3.30 -1 -5 4 -0.40 1.50 -1 -5 4 -1.20 1.40 1 5 -4 1.40 1.50 -1 5 4 0.70 0.70 1 5 -4 -0.60 1.60 -1 5 4 -0.40 0.90 0 -5 4 364.56 7.40 0 -5 -4 362.46 6.10 0 -5 4 368.36 7.80 0 -5 -4 356.36 6.30 0 5 -4 367.56 7.90 0 5 -4 355.46 7.40 0 5 4 353.96 6.40 0 5 4 363.96 6.60 1 -5 4 37.80 2.80 1 -5 4 41.30 3.30 -1 -5 -4 36.90 2.40 -1 -5 -4 40.00 2.10 1 5 4 41.50 2.50 -1 5 -4 34.80 3.30 -1 5 -4 40.20 3.00 1 5 4 45.60 2.40 -2 -5 -4 7.20 1.60 -2 -5 -4 10.40 1.50 2 -5 4 6.20 2.00 2 -5 4 10.70 1.60 2 5 4 9.70 1.70 -2 5 -4 8.60 1.80 2 5 4 9.30 1.60 -2 5 -4 6.00 1.80 3 -5 4 9.50 1.60 -3 -5 -4 9.70 1.80 -3 -5 -4 11.00 1.70 3 -5 4 6.50 2.20 -3 5 -4 6.20 2.20 3 5 4 12.00 1.90 -3 5 -4 9.00 1.90 3 5 4 9.70 1.70 4 -5 4 30.00 3.00 4 -5 4 34.30 2.90 -4 -5 -4 30.90 3.00 -4 -5 -4 31.20 3.20 4 5 4 36.60 3.20 4 5 4 29.40 3.50 -4 5 -4 30.60 3.60 -4 5 -4 26.60 3.30 5 -5 4 17.30 2.90 -5 -5 -4 15.60 2.10 5 -5 4 17.50 2.00 -5 -5 -4 17.50 2.40 -5 5 -4 15.20 2.30 -5 5 -4 12.40 2.40 5 5 4 18.80 2.30 5 5 4 18.20 2.40 -6 -5 -4 2.30 2.20 6 -5 4 1.30 1.80 -6 -5 -4 -1.80 1.90 6 -5 4 -4.60 2.50 6 5 4 1.10 2.20 -6 5 -4 -2.10 2.00 6 5 4 -0.90 1.90 -6 5 -4 1.40 2.30 7 -5 4 109.29 6.30 -7 -5 -4 111.69 5.60 7 -5 4 114.59 4.80 -7 -5 -4 109.39 5.10 7 5 4 102.29 5.40 -7 5 -4 106.59 5.70 7 5 4 103.29 5.70 -7 5 -4 112.99 5.50 -8 -5 -4 2.20 2.70 8 -5 4 4.90 2.40 -8 -5 -4 3.50 2.60 8 -5 4 2.90 3.40 8 5 4 5.90 2.70 -8 5 -4 2.10 2.70 8 5 4 4.30 3.00 -8 5 -4 0.00 2.60 -9 -5 -4 -1.40 2.60 9 -5 4 0.70 2.50 9 -5 4 -0.30 3.70 -9 -5 -4 -0.70 2.70 -9 5 -4 3.30 3.00 9 5 4 0.20 2.70 9 5 4 -0.30 3.20 -9 5 -4 -2.90 3.00 10 -5 4 -8.60 4.00 10 -5 4 -0.50 2.80 -10 5 -4 3.30 3.30 10 5 4 -0.90 3.30 10 5 4 7.40 4.00 -10 5 -4 1.20 3.40 -11 -5 -4 -6.50 3.80 11 -5 4 1.30 3.30 11 5 4 0.30 3.80 -11 5 -4 -4.70 3.40 -11 5 -4 1.10 3.90 -12 -5 -4 10.20 4.80 -12 -5 -4 21.90 5.20 12 -5 4 26.60 6.30 12 -5 4 22.20 4.20 12 5 4 15.20 5.10 -12 5 -4 18.50 5.00 -12 5 -4 19.80 4.80 12 5 4 12.50 5.20 -13 -5 -4 2.90 5.10 -13 -5 -4 2.20 5.00 13 -5 4 -2.80 8.00 13 -5 4 15.20 6.90 13 5 4 -0.40 5.20 -13 5 -4 8.50 5.20 -13 5 -4 7.60 4.90 13 5 4 7.90 6.00 -14 -6 4 -1.60 5.10 -14 -6 4 2.70 4.70 14 6 -4 -0.70 4.60 -14 6 4 0.60 3.90 14 6 -4 12.40 6.60 -13 -6 4 5.80 4.30 -13 -6 4 -0.30 4.20 -13 6 4 14.20 3.50 13 6 -4 1.70 4.60 -13 6 4 -2.90 3.20 13 6 -4 7.70 4.40 -12 -6 4 1.40 3.80 -12 -6 4 6.00 3.70 12 6 -4 7.00 4.10 12 6 -4 8.70 4.00 -12 6 4 6.60 2.90 -12 6 4 3.90 3.10 -11 -6 4 35.20 4.10 -11 -6 4 33.40 4.20 11 6 -4 37.90 4.30 11 6 -4 38.00 4.50 -11 6 4 37.50 4.90 -11 6 4 38.50 4.30 -10 -6 4 2.30 2.90 -10 -6 4 -0.40 2.80 10 6 -4 4.10 3.00 -10 6 4 1.50 2.40 -10 6 4 5.20 2.10 10 6 -4 2.00 3.20 -9 -6 4 45.20 4.90 -9 -6 4 48.80 5.30 -9 6 4 51.59 3.60 9 6 -4 48.50 5.50 9 6 -4 44.30 5.10 -9 6 4 51.59 4.20 -8 -6 4 7.30 2.50 -8 -6 4 7.20 2.60 -8 6 4 7.30 2.10 8 6 -4 7.00 2.80 -8 6 4 7.40 1.80 8 6 -4 9.40 2.60 -7 -6 4 0.80 2.20 -7 -6 4 1.80 2.10 7 6 -4 4.90 2.40 -7 6 4 0.90 1.30 -7 6 4 -0.10 1.60 7 6 -4 0.90 2.00 -6 -6 4 28.50 2.90 -6 -6 4 26.50 2.80 -6 6 4 22.70 2.00 -6 6 4 26.40 2.60 6 6 -4 27.20 2.70 6 6 -4 22.60 3.00 -5 -6 4 24.40 2.60 -5 6 4 29.20 1.80 5 6 -4 26.10 2.90 5 6 -4 30.00 3.40 -5 6 4 28.60 2.20 -4 -6 4 28.10 3.50 -4 -6 4 20.80 2.50 4 6 -4 22.50 2.40 -4 6 4 24.80 1.80 -4 6 4 26.40 1.60 4 6 -4 21.30 2.60 -3 -6 4 836.12 14.80 -3 -6 4 835.22 14.80 -3 6 4 816.32 12.90 3 6 -4 856.21 15.10 -3 6 4 827.42 12.80 3 6 -4 843.12 14.60 -2 -6 4 101.29 4.30 -2 -6 4 108.09 4.30 2 6 -4 103.29 4.50 -2 6 4 106.79 3.00 -2 6 4 104.89 2.70 -1 -6 4 -1.20 1.50 -1 -6 4 -1.40 1.70 1 -6 -4 0.40 0.60 -1 6 4 -1.30 1.10 1 6 -4 0.50 1.60 1 6 -4 1.00 1.70 -1 6 4 0.60 0.90 0 -6 4 4.50 1.70 0 -6 4 3.50 1.80 0 -6 -4 3.80 1.20 0 -6 -4 5.70 1.00 0 6 4 5.50 1.40 0 6 4 4.50 1.20 0 6 -4 3.60 2.00 0 6 -4 2.90 1.60 -1 -6 -4 -0.90 1.30 -1 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3.60 4.00 -12 7 4 -0.50 3.10 -12 7 4 -0.10 3.20 12 7 -4 2.40 4.20 -11 -7 4 0.50 3.60 -11 -7 4 0.40 4.30 11 7 -4 -0.10 3.80 -11 7 4 -0.70 2.80 -11 7 4 4.00 2.70 11 7 -4 5.40 3.50 -10 -7 4 -6.60 2.60 -10 -7 4 -5.40 3.00 -10 7 4 3.00 2.20 -10 7 4 -0.40 2.50 10 7 -4 -3.90 3.00 10 7 -4 -1.10 3.20 -9 -7 4 11.50 3.10 -9 -7 4 5.60 3.20 -9 7 4 11.10 2.50 -9 7 4 6.20 2.10 9 7 -4 9.60 3.40 9 7 -4 10.70 3.00 -8 -7 4 0.10 2.50 -8 -7 4 0.60 2.50 8 7 -4 6.60 2.90 -8 7 4 -1.00 1.70 8 7 -4 -0.70 2.40 -8 7 4 -2.10 2.00 -7 -7 4 36.00 4.50 -7 -7 4 35.00 4.40 -7 7 4 37.00 3.40 -7 7 4 32.20 2.70 7 7 -4 32.80 3.60 7 7 -4 37.60 4.50 -6 -7 4 -0.70 2.20 -6 -7 4 0.90 2.10 -6 7 4 0.70 1.60 6 7 -4 -0.80 2.30 -6 7 4 0.00 1.30 6 7 -4 2.60 2.20 -5 -7 4 86.89 4.70 -5 7 4 94.59 3.40 5 7 -4 96.39 4.70 5 7 -4 84.99 5.00 -5 7 4 89.59 2.90 -4 -7 4 4.70 2.10 -4 -7 4 4.00 2.10 4 7 -4 0.80 1.80 4 7 -4 2.50 2.30 -4 7 4 1.10 1.20 -4 7 4 3.10 1.20 -3 -7 4 44.40 3.80 -3 -7 4 44.10 3.90 3 7 -4 54.99 4.30 -3 7 4 49.99 2.40 3 7 -4 48.40 3.80 -3 7 4 51.79 2.50 -2 -7 4 27.30 3.60 -2 -7 4 25.20 2.60 2 7 -4 27.60 2.90 -2 7 4 20.60 2.20 -2 7 4 20.70 2.40 1 -7 -4 -0.30 0.90 1 -7 -4 0.00 0.90 -1 -7 4 1.00 1.80 -1 -7 4 1.10 1.80 1 7 -4 0.50 2.00 -1 7 4 -1.70 1.30 -1 7 4 1.20 1.20 1 7 -4 0.80 1.80 0 -7 4 19.70 2.50 0 -7 -4 18.20 2.20 0 -7 4 22.30 2.40 0 -7 -4 19.90 1.90 0 7 4 19.90 2.60 0 7 -4 17.50 2.60 0 7 -4 20.60 2.50 0 7 4 20.80 2.30 -1 -7 -4 146.09 4.30 1 -7 4 141.29 5.30 -1 -7 -4 150.28 3.90 1 -7 4 149.59 4.90 -1 7 -4 145.29 5.60 1 7 4 140.39 4.20 -1 7 -4 139.49 5.00 1 7 4 142.19 4.50 2 -7 4 32.50 3.20 -2 -7 -4 36.70 2.80 2 -7 4 36.00 3.90 -2 7 -4 34.50 3.60 2 7 4 41.40 3.30 -2 7 -4 34.20 4.10 2 7 4 33.50 2.90 -3 -7 -4 23.50 2.40 3 -7 4 23.70 2.90 3 -7 4 25.20 3.10 -3 -7 -4 26.80 2.90 3 7 4 27.30 3.50 3 7 4 25.20 3.20 -3 7 -4 26.60 3.10 -3 7 -4 21.40 2.50 -4 -7 -4 3.60 1.80 4 -7 4 3.30 1.80 4 -7 4 4.10 2.50 -4 -7 -4 4.10 2.00 4 7 4 6.80 2.10 -4 7 -4 2.50 2.10 4 7 4 2.80 1.90 -4 7 -4 -1.40 2.20 5 -7 4 12.70 2.20 -5 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12 7 4 4.80 5.20 -12 7 -4 5.40 4.90 12 7 4 14.30 5.80 -13 -8 4 -11.60 4.70 -13 -8 4 -3.20 4.60 13 8 -4 -2.30 5.20 -13 8 4 2.60 3.60 -13 8 4 -4.90 3.60 -12 -8 4 -3.80 4.30 -12 -8 4 -2.50 4.10 12 8 -4 0.00 5.20 12 8 -4 -4.70 3.60 -12 8 4 -1.50 3.20 -11 -8 4 36.50 4.60 -11 -8 4 54.39 6.90 11 8 -4 44.80 5.30 -11 8 4 53.69 5.50 -11 8 4 39.00 4.80 11 8 -4 41.80 4.80 -10 -8 4 14.90 3.70 -10 -8 4 12.70 3.60 10 8 -4 15.00 3.90 10 8 -4 18.40 4.10 -10 8 4 14.40 2.70 -10 8 4 12.40 3.00 -9 -8 4 15.20 3.50 -9 -8 4 14.70 3.50 9 8 -4 15.00 3.50 9 8 -4 11.90 3.70 -9 8 4 18.40 2.90 -9 8 4 16.50 2.50 -8 -8 4 10.00 3.10 -8 8 4 5.20 2.00 8 8 -4 9.20 2.90 8 8 -4 2.80 3.20 -8 8 4 8.90 2.50 -7 -8 4 0.40 2.60 -7 -8 4 0.80 2.50 -7 8 4 -4.10 2.00 -7 8 4 -2.20 1.60 7 8 -4 -1.80 2.70 7 8 -4 -0.10 2.50 -6 -8 4 3.90 2.30 -6 8 4 3.10 1.50 6 8 -4 3.20 2.70 -6 8 4 3.10 1.90 6 8 -4 4.90 2.30 -5 -8 4 128.09 5.70 -5 -8 4 125.19 5.60 -5 8 4 123.89 4.30 5 8 -4 132.29 5.60 5 8 -4 127.09 6.10 -5 8 4 129.59 3.80 -4 -8 4 57.19 4.50 -4 -8 4 61.99 4.50 4 8 -4 66.29 4.40 4 8 -4 59.79 4.90 -4 8 4 59.19 3.20 -4 8 4 60.89 2.90 -3 -8 4 270.87 7.30 -3 -8 4 260.67 7.30 3 8 -4 262.27 7.20 -3 8 4 253.77 5.80 -3 8 4 258.97 5.70 3 8 -4 263.07 7.70 -2 -8 4 65.99 4.40 -2 -8 4 62.39 4.20 2 8 -4 65.69 4.70 -2 8 4 61.19 3.00 -2 8 4 61.59 3.20 1 -8 -4 18.80 1.80 -1 -8 4 18.40 2.50 -1 -8 4 18.40 2.70 1 -8 -4 16.40 1.90 1 8 -4 21.60 2.80 1 8 -4 17.10 2.40 -1 8 4 19.60 2.00 -1 8 4 15.10 2.00 0 -8 4 0.60 2.10 0 -8 4 -0.80 1.90 0 -8 -4 -1.40 1.30 0 -8 -4 0.70 1.20 0 8 4 -0.30 1.50 0 8 4 1.00 1.40 0 8 -4 0.10 1.90 0 8 -4 -1.30 2.10 -1 -8 -4 0.80 1.60 1 -8 4 0.10 2.10 -1 -8 -4 1.20 1.30 1 -8 4 -0.40 1.80 1 8 4 1.20 1.60 1 8 4 -1.50 1.60 -1 8 -4 -1.70 1.90 -1 8 -4 -3.40 2.10 2 -8 4 -0.30 2.20 -2 -8 -4 1.60 1.50 2 -8 4 1.30 1.80 -2 -8 -4 1.70 1.80 2 8 4 2.70 1.90 -2 8 -4 0.10 2.40 2 8 4 1.10 1.70 -2 8 -4 1.10 2.10 3 -8 4 48.60 3.60 3 -8 4 43.50 4.50 -3 -8 -4 38.10 3.20 3 8 4 48.00 4.10 3 8 4 43.70 3.70 -3 8 -4 37.70 4.80 -3 8 -4 40.70 4.20 -4 -8 -4 0.10 2.10 4 -8 4 0.40 1.80 4 -8 4 -0.40 2.60 -4 -8 -4 0.10 1.90 -4 8 -4 0.20 2.30 4 8 4 1.90 2.30 4 8 4 0.20 2.00 -4 8 -4 0.00 2.50 5 -8 4 109.89 4.60 -5 -8 -4 110.49 5.40 -5 -8 -4 104.19 4.90 5 -8 4 102.59 5.90 5 8 4 102.09 5.20 5 8 4 107.59 5.70 -5 8 -4 102.59 5.50 -5 8 -4 105.09 5.90 -6 -8 -4 -0.10 2.40 -6 -8 -4 -1.20 2.40 6 -8 4 2.60 3.00 6 -8 4 1.60 2.10 -6 8 -4 -0.30 2.50 -6 8 -4 -2.20 2.60 6 8 4 -2.50 2.40 6 8 4 0.70 2.80 7 -8 4 -4.80 3.20 7 -8 4 -1.20 2.10 -7 -8 -4 2.10 3.10 -7 -8 -4 6.50 3.00 7 8 4 -0.70 3.10 -7 8 -4 -3.50 2.80 7 8 4 1.60 2.70 -7 8 -4 0.60 3.00 8 -8 4 -6.00 3.50 8 -8 4 -1.90 2.30 -8 -8 -4 -2.80 2.80 -8 -8 -4 3.10 2.90 -8 8 -4 -2.80 3.00 8 8 4 5.70 3.00 -8 8 -4 -4.50 3.00 9 -8 4 2.60 2.70 -9 -8 -4 11.20 6.20 -9 -8 -4 -0.60 3.00 9 -8 4 4.80 4.10 -9 8 -4 -0.50 3.50 9 8 4 1.50 4.00 -9 8 -4 5.20 3.50 10 -8 4 -2.90 2.90 -10 -8 -4 -8.80 3.60 -10 -8 -4 -1.60 3.70 10 -8 4 -1.70 4.60 -10 8 -4 3.30 4.10 10 8 4 -2.60 4.10 10 8 4 -1.50 4.50 -10 8 -4 -0.50 4.00 -11 -8 -4 -5.00 4.40 11 -8 4 5.80 3.70 -11 -8 -4 -0.30 4.80 11 8 4 1.90 4.90 -11 8 -4 -1.20 4.40 -11 8 -4 11.40 4.70 11 8 4 -4.90 4.70 12 -8 4 -2.50 3.80 12 -8 4 -1.80 6.00 -12 -8 -4 -7.30 5.30 -12 -8 -4 -7.20 4.80 -12 8 -4 0.00 5.20 12 8 4 -8.50 5.60 12 8 4 10.20 5.70 -12 8 -4 5.40 5.10 -13 -9 4 -1.90 5.10 -13 -9 4 13.60 5.20 -13 9 4 0.40 4.00 -13 9 4 7.90 3.90 13 9 -4 7.60 5.30 13 9 -4 -3.00 5.70 -12 -9 4 11.10 4.40 -12 -9 4 1.80 4.80 12 9 -4 -5.50 5.00 -12 9 4 -0.10 3.30 -12 9 4 4.90 3.60 -11 -9 4 -1.40 4.20 -11 -9 4 11.80 3.90 -11 9 4 6.80 3.30 11 9 -4 -0.70 5.20 -11 9 4 0.30 2.90 11 9 -4 -3.50 3.60 -10 -9 4 2.20 3.30 -10 -9 4 5.80 3.80 -10 9 4 0.60 2.90 10 9 -4 3.50 4.00 10 9 -4 2.30 3.70 -10 9 4 1.90 2.50 -9 -9 4 27.20 4.30 -9 9 4 37.20 4.80 9 9 -4 36.80 4.30 9 9 -4 30.30 4.60 -9 9 4 34.50 4.10 -8 -9 4 18.10 3.50 8 9 -4 21.80 5.30 -8 9 4 18.70 2.50 8 9 -4 12.30 3.70 -8 9 4 19.10 3.00 -7 -9 4 96.39 8.60 7 9 -4 101.89 6.10 -7 9 4 101.79 5.10 -7 9 4 99.99 4.20 7 9 -4 106.89 6.90 -6 -9 4 -1.70 2.50 -6 -9 4 1.50 2.60 -6 9 4 0.80 1.70 -6 9 4 -4.10 2.00 6 9 -4 0.90 2.90 6 9 -4 -1.20 2.30 -5 -9 4 -0.20 2.60 -5 -9 4 2.40 2.60 5 9 -4 1.20 2.80 -5 9 4 0.40 1.60 -5 9 4 2.60 2.00 5 9 -4 -2.20 2.30 -4 -9 4 -0.90 2.30 -4 -9 4 2.10 2.40 -4 9 4 2.30 1.80 4 9 -4 2.30 2.30 4 9 -4 -3.80 2.60 -4 9 4 -0.80 1.60 -3 -9 4 -1.50 2.30 -3 -9 4 -2.50 2.10 -3 9 4 2.60 1.70 3 9 -4 1.50 2.30 3 9 -4 0.40 2.50 -3 9 4 -1.40 1.60 -2 -9 4 11.50 2.60 -2 -9 4 16.10 2.80 -2 9 4 13.70 2.10 -2 9 4 12.10 2.00 2 9 -4 15.20 3.00 1 -9 -4 108.49 3.30 1 -9 -4 107.79 3.10 -1 -9 4 107.69 5.30 -1 -9 4 102.89 5.20 -1 9 4 105.89 4.30 -1 9 4 101.39 4.10 1 9 -4 111.19 5.20 1 9 -4 116.39 5.80 0 -9 -4 13.70 1.90 0 -9 4 10.80 2.40 0 -9 4 15.00 2.80 0 -9 -4 18.00 2.30 0 9 -4 12.20 2.80 0 9 4 16.80 2.20 0 9 4 12.10 2.10 0 9 -4 14.60 2.50 1 -9 4 28.60 3.20 -1 -9 -4 30.90 3.20 1 -9 4 32.80 3.80 -1 -9 -4 32.10 2.80 -1 9 -4 26.90 3.00 1 9 4 29.00 3.60 1 9 4 35.20 3.50 -1 9 -4 32.10 3.60 -2 -9 -4 24.40 2.60 2 -9 4 23.70 3.10 2 -9 4 21.30 2.40 -2 -9 -4 26.30 3.00 -2 9 -4 22.70 3.00 2 9 4 21.60 2.70 2 9 4 22.90 2.60 -2 9 -4 25.30 3.50 -3 -9 -4 17.00 2.20 3 -9 4 15.10 3.00 3 -9 4 19.40 2.50 3 9 4 18.70 2.60 3 9 4 18.80 2.70 -3 9 -4 17.40 3.40 -3 9 -4 18.10 2.90 4 -9 4 0.70 2.70 4 -9 4 2.00 1.90 -4 -9 -4 0.20 2.40 -4 -9 -4 3.10 2.10 -4 9 -4 1.20 2.80 4 9 4 -0.20 2.30 -4 9 -4 0.50 2.50 4 9 4 2.50 2.50 -5 -9 -4 6.20 2.50 -5 -9 -4 6.20 2.70 5 -9 4 9.30 3.20 5 -9 4 7.90 2.20 -5 9 -4 8.10 2.90 -5 9 -4 3.00 2.80 5 9 4 4.60 2.70 5 9 4 10.70 3.00 -6 -9 -4 8.30 2.80 6 -9 4 10.60 2.40 6 -9 4 12.20 3.50 -6 -9 -4 9.10 3.00 -6 9 -4 9.10 3.30 -6 9 -4 11.90 3.30 6 9 4 10.20 3.10 -7 -9 -4 28.50 3.60 7 -9 4 34.30 4.40 -7 -9 -4 48.60 5.70 7 -9 4 29.70 3.10 -7 9 -4 26.40 6.00 -7 9 -4 30.70 4.00 7 9 4 34.50 4.00 8 -9 4 29.10 4.60 -8 -9 -4 28.50 3.80 8 -9 4 20.60 3.10 -8 -9 -4 20.00 4.00 -8 9 -4 21.30 4.20 -8 9 -4 20.60 4.00 8 9 4 18.20 5.00 9 -9 4 -2.10 2.70 9 -9 4 1.60 4.30 -9 -9 -4 1.10 3.40 -9 9 -4 8.00 4.10 -9 9 -4 7.50 3.80 9 9 4 0.00 3.70 10 -9 4 3.20 5.00 -10 -9 -4 -2.50 3.80 10 -9 4 -3.20 3.10 -10 -9 -4 2.10 4.00 10 9 4 -6.60 4.10 10 9 4 -6.50 4.40 -10 9 -4 2.70 4.30 -10 9 -4 7.90 4.30 -11 -9 -4 19.70 5.40 11 -9 4 -7.90 9.40 11 -9 4 1.40 3.70 -11 -9 -4 -9.50 4.70 -11 9 -4 -6.10 4.60 11 9 4 -2.50 5.40 -11 9 -4 11.80 4.90 11 9 4 3.30 5.60 12 9 4 -7.90 5.80 12 9 4 2.20 6.30 -12 9 -4 4.00 5.30 -12 -10 4 -0.60 4.70 -12 -10 4 0.10 5.00 12 10 -4 12.90 5.10 -12 10 4 0.10 3.60 -12 10 4 4.20 3.90 12 10 -4 3.80 5.60 -11 -10 4 3.20 4.70 -11 -10 4 11.50 4.90 -11 10 4 13.90 3.70 -11 10 4 10.80 3.40 11 10 -4 11.30 5.20 -10 -10 4 15.10 4.00 10 10 -4 -2.10 4.20 -10 10 4 13.90 3.10 -10 10 4 11.60 3.50 10 10 -4 16.40 5.10 9 10 -4 25.00 4.60 -9 10 4 24.60 3.20 -9 10 4 24.80 3.40 9 10 -4 20.90 4.00 8 10 -4 8.50 3.80 8 10 -4 7.10 3.60 -8 10 4 6.10 2.80 -8 10 4 9.60 2.50 -7 -10 4 3.70 3.30 -7 -10 4 -1.60 2.90 7 10 -4 5.70 4.60 -7 10 4 -0.10 2.00 7 10 -4 6.20 3.60 -7 10 4 3.80 2.70 -6 -10 4 1.90 3.60 -6 -10 4 -1.10 2.70 6 10 -4 -3.70 3.00 6 10 -4 2.40 2.90 -6 10 4 -1.20 2.30 -6 10 4 -2.10 1.90 -5 -10 4 21.70 3.30 -5 -10 4 15.70 3.10 5 10 -4 23.60 3.90 -5 10 4 21.00 2.40 -5 10 4 21.20 2.80 5 10 -4 13.60 3.20 -4 -10 4 -2.30 2.60 -4 -10 4 4.40 2.70 -4 10 4 1.00 1.90 4 10 -4 2.10 3.00 4 10 -4 3.20 2.70 -4 10 4 1.00 2.20 -3 -10 4 100.19 5.70 -3 -10 4 97.19 5.70 -3 10 4 102.89 4.70 3 10 -4 107.59 5.70 -3 10 4 105.99 4.40 3 10 -4 100.29 6.10 -2 -10 4 2.40 2.60 -2 -10 4 0.80 2.50 2 -10 -4 1.10 0.90 2 -10 -4 3.20 1.10 -2 10 4 3.90 2.00 -2 10 4 3.10 2.00 2 10 -4 2.10 2.70 -1 -10 4 0.20 2.50 -1 -10 4 2.30 2.40 1 -10 -4 2.70 1.40 1 -10 -4 2.60 1.50 -1 10 4 1.50 2.00 1 10 -4 0.50 2.60 1 10 -4 5.60 2.90 0 -10 -4 3.50 1.80 0 -10 -4 3.80 1.50 0 -10 4 2.70 2.60 0 -10 4 3.10 2.40 0 10 4 4.40 2.10 0 10 -4 2.20 2.40 0 10 4 5.30 2.20 0 10 -4 0.80 2.80 1 -10 4 -0.60 2.50 1 -10 4 -0.70 2.20 -1 -10 -4 0.80 1.70 -1 -10 -4 0.20 2.00 -1 10 -4 -3.60 2.70 1 10 4 1.10 2.00 -1 10 -4 -4.00 2.40 1 10 4 -0.70 2.10 2 -10 4 4.70 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11 4 2.40 2.70 6 11 -4 -5.60 3.30 6 11 -4 2.50 3.30 -5 -11 4 16.20 3.50 5 11 -4 21.30 4.00 -5 11 4 23.20 2.80 5 11 -4 18.90 5.90 -5 11 4 22.70 3.10 -4 -11 4 -2.40 2.80 -4 -11 4 2.60 3.10 4 11 -4 -1.30 2.90 4 11 -4 -3.00 3.10 -4 11 4 -2.80 2.30 -4 11 4 6.10 2.20 -3 -11 4 -2.10 2.70 -3 -11 4 -4.70 2.60 3 11 -4 -0.80 3.00 3 11 -4 4.80 2.80 -3 11 4 0.50 2.20 -3 11 4 6.80 2.40 -2 -11 4 19.00 3.40 2 -11 -4 19.30 2.00 -2 -11 4 17.90 3.20 2 -11 -4 21.10 2.10 -2 11 4 18.60 2.80 -2 11 4 22.80 2.80 2 11 -4 17.50 3.70 1 -11 -4 53.89 3.20 1 -11 -4 51.29 2.90 -1 -11 4 49.60 5.20 -1 -11 4 52.59 5.20 -1 11 4 53.79 4.40 1 11 -4 53.49 5.30 1 11 -4 50.69 5.90 0 -11 -4 24.80 3.00 0 -11 4 23.00 3.20 0 -11 -4 21.40 2.40 0 -11 4 26.60 3.60 0 11 4 21.80 3.00 0 11 4 21.00 2.90 0 11 -4 23.00 3.40 0 11 -4 21.60 3.70 -1 -11 -4 174.98 5.80 -1 -11 -4 162.78 5.10 1 -11 4 175.78 6.50 1 -11 4 179.08 7.10 1 11 4 163.58 6.40 -1 11 -4 168.98 7.60 -1 11 -4 179.28 7.20 1 11 4 175.78 6.40 2 -11 4 46.00 5.40 -2 -11 -4 41.80 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2.50 -4 12 4 7.90 3.00 4 12 -4 6.40 3.40 -3 -12 4 26.20 4.00 -3 -12 4 27.90 3.90 3 12 -4 23.50 7.00 3 12 -4 24.90 4.30 -3 12 4 23.50 3.30 -3 12 4 27.80 3.20 -2 -12 4 14.00 3.60 2 -12 -4 11.10 1.50 -2 -12 4 11.90 3.40 2 -12 -4 11.70 1.60 -2 12 4 10.70 3.00 -2 12 4 12.30 2.90 2 12 -4 8.50 3.70 -1 -12 4 16.70 3.50 1 -12 -4 18.20 2.20 -1 -12 4 15.40 3.40 1 -12 -4 18.10 2.00 -1 12 4 16.90 3.10 1 12 -4 17.00 3.90 1 12 -4 14.40 3.60 0 -12 -4 5.60 1.90 0 -12 -4 6.30 2.20 0 -12 4 2.20 2.90 0 -12 4 4.70 3.20 0 12 4 6.30 2.80 0 12 -4 3.50 3.50 0 12 -4 1.50 3.00 0 12 4 -0.40 2.70 1 -12 4 2.40 2.70 1 -12 4 1.90 3.20 -1 -12 -4 5.70 2.20 -1 -12 -4 4.80 2.50 1 12 4 -1.50 2.80 -1 12 -4 -1.40 3.10 -1 12 -4 9.60 3.80 1 12 4 -0.80 2.80 -2 -12 -4 3.60 2.80 -2 -12 -4 2.20 2.40 2 -12 4 3.00 2.50 2 -12 4 7.30 3.30 2 12 4 0.90 2.90 -2 12 -4 3.50 3.20 -2 12 -4 2.00 3.60 2 12 4 1.30 3.20 -3 -12 -4 13.50 3.20 3 -12 4 13.30 3.60 3 -12 4 12.00 2.70 -3 -12 -4 11.20 2.80 3 12 4 6.10 3.30 3 12 4 13.80 3.90 -3 12 -4 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116.89 7.30 1 13 -4 120.79 7.90 0 -13 -4 84.79 4.30 0 -13 4 92.19 6.40 0 -13 4 86.09 6.70 0 -13 -4 87.89 4.80 0 13 4 86.49 6.10 0 13 4 87.49 6.20 0 13 -4 88.19 6.90 0 13 -4 91.89 7.50 1 -13 4 119.09 7.20 -1 -13 -4 96.89 4.90 -1 -13 -4 109.29 5.60 1 -13 4 110.79 6.20 -1 13 -4 117.49 8.00 1 13 4 97.39 6.60 1 13 4 105.29 6.60 -1 13 -4 99.99 7.00 -2 -13 -4 8.90 3.10 -2 -13 -4 10.20 2.70 2 -13 4 10.10 3.70 2 -13 4 6.40 3.00 2 13 4 4.10 3.30 -2 13 -4 4.90 3.80 2 13 4 -4.40 6.10 -2 13 -4 8.50 3.80 3 -13 4 21.90 4.10 -3 -13 -4 12.00 3.40 -3 -13 -4 13.10 3.00 3 -13 4 12.50 2.90 3 13 4 13.50 3.90 -3 13 -4 12.70 4.10 -3 13 -4 19.10 4.10 3 13 4 15.00 3.70 4 -13 4 3.20 3.70 -4 -13 -4 -1.30 3.20 -4 -13 -4 -6.10 2.70 4 -13 4 -0.70 2.60 4 13 4 0.70 3.40 4 13 4 -4.60 3.50 -4 13 -4 1.90 3.60 -4 13 -4 -7.10 3.80 -5 -13 -4 13.20 4.00 5 -13 4 21.80 4.40 -5 -13 -4 10.80 3.50 5 -13 4 11.00 3.00 5 13 4 11.70 4.30 -5 13 -4 9.30 4.10 -5 13 -4 21.10 4.70 6 -13 4 41.70 5.10 -6 -13 -4 26.80 4.20 -6 -13 -4 35.90 4.80 6 -13 4 27.00 4.80 6 13 4 28.40 4.80 6 13 4 38.40 5.30 -6 13 -4 45.20 8.60 -6 13 -4 61.39 7.80 7 -13 4 30.10 5.20 7 -13 4 41.80 5.20 -7 -13 -4 32.30 5.10 7 13 4 20.90 4.90 -7 13 -4 45.70 5.90 -7 13 -4 26.50 5.20 7 13 4 40.10 5.90 8 -13 4 2.40 5.00 8 -13 4 -1.80 3.20 -8 -13 -4 -6.40 4.30 8 13 4 -6.70 5.00 8 13 4 1.10 5.00 -8 13 -4 -12.70 4.60 -8 13 -4 -4.50 4.70 -9 -13 -4 5.00 5.00 9 -13 4 1.50 5.30 9 -13 4 -2.80 3.50 -9 13 -4 -2.90 5.20 9 13 4 1.80 5.50 9 13 4 -2.50 5.80 -9 13 -4 6.50 5.40 -10 -14 4 7.70 5.90 10 14 -4 4.50 6.60 -10 14 4 21.00 4.80 10 14 -4 7.90 5.50 -9 -14 4 8.00 6.10 -9 -14 4 5.80 5.20 9 14 -4 0.70 6.30 -9 14 4 2.00 3.90 -9 14 4 7.40 4.30 9 14 -4 9.80 5.30 -8 -14 4 8.50 5.10 -8 -14 4 7.10 4.80 -8 14 4 3.90 4.20 8 14 -4 2.70 5.50 8 14 -4 -6.70 4.90 -7 -14 4 0.80 4.70 -7 -14 4 -6.40 4.30 7 14 -4 0.80 5.20 -7 14 4 4.60 3.90 -7 14 4 -2.90 3.30 7 14 -4 -0.10 4.50 -6 -14 4 -10.10 4.00 -6 14 4 -3.00 3.50 -6 14 4 -2.40 3.10 6 14 -4 2.80 5.00 -5 -14 4 1.60 4.00 -5 14 4 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5 43.10 2.40 -5 7 5 37.90 2.10 5 7 -5 45.20 4.00 5 7 -5 42.30 4.50 -4 -7 5 382.06 8.90 -4 -7 5 374.66 8.90 4 7 -5 374.46 8.50 -4 7 5 370.76 6.50 4 7 -5 376.66 9.20 -4 7 5 365.96 6.60 -3 -7 5 -2.20 2.00 -3 -7 5 -2.20 2.00 -3 7 5 1.00 1.00 3 7 -5 0.50 1.90 3 7 -5 4.10 2.40 -3 7 5 0.40 1.20 -2 -7 5 98.29 4.80 -2 7 5 93.29 3.20 -2 7 5 95.89 2.90 2 7 -5 103.19 4.50 2 7 -5 102.59 5.10 -1 -7 5 0.90 2.10 -1 -7 5 1.80 1.90 1 7 -5 0.30 2.10 1 7 -5 1.20 1.80 -1 7 5 1.70 1.10 0 -7 5 4.90 2.10 0 -7 -5 5.80 1.20 0 -7 -5 5.10 1.30 0 -7 5 4.40 1.90 0 7 5 6.40 1.40 0 7 -5 4.40 2.30 0 7 -5 6.90 2.20 0 7 5 6.50 1.60 -1 -7 -5 21.80 2.30 1 -7 5 21.30 2.40 -1 -7 -5 18.60 2.00 1 -7 5 23.60 2.90 1 7 5 19.60 2.50 -1 7 -5 25.80 2.60 -1 7 -5 22.00 2.80 1 7 5 22.30 2.90 2 -7 5 157.38 6.00 -2 -7 -5 162.48 4.40 2 -7 5 148.69 5.00 2 7 5 153.18 4.90 -2 7 -5 152.38 5.50 -2 7 -5 160.68 6.10 2 7 5 156.08 4.80 -3 -7 -5 44.00 3.70 -3 -7 -5 47.10 3.30 3 -7 5 49.00 3.70 3 -7 5 46.80 4.60 -3 7 -5 48.20 4.20 3 7 5 50.69 4.00 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18.40 3.00 -7 10 5 20.90 2.50 7 10 -5 18.00 5.50 7 10 -5 15.70 3.90 -6 -10 5 17.50 4.90 -6 -10 5 13.90 3.40 6 10 -5 18.40 3.90 -6 10 5 14.70 2.70 6 10 -5 15.70 3.50 -6 10 5 20.00 2.30 -5 -10 5 -1.50 2.80 -5 -10 5 -1.60 2.80 -5 10 5 -2.40 1.80 5 10 -5 -2.30 3.10 5 10 -5 -1.50 2.70 -5 10 5 2.80 2.20 -4 -10 5 3.30 2.70 -4 -10 5 7.40 2.90 4 10 -5 12.10 3.40 -4 10 5 10.00 2.20 -4 10 5 9.80 2.10 4 10 -5 8.00 2.80 -3 -10 5 3.90 2.70 -3 -10 5 -3.60 2.40 -3 10 5 0.40 1.90 3 10 -5 -2.30 2.50 3 10 -5 0.50 3.00 -3 10 5 -1.40 1.80 -2 -10 5 91.89 5.80 -2 -10 5 99.59 5.80 2 10 -5 104.39 6.30 -2 10 5 104.59 4.50 -2 10 5 93.79 4.30 -1 -10 5 -3.10 2.30 1 -10 -5 0.00 1.30 -1 -10 5 -2.30 2.60 1 -10 -5 0.10 1.20 1 10 -5 -0.60 2.90 1 10 -5 -0.50 2.50 -1 10 5 -1.40 1.90 0 -10 -5 99.19 3.90 0 -10 5 96.29 5.60 0 -10 -5 100.59 3.50 0 -10 5 95.39 5.90 0 10 5 105.39 4.80 0 10 5 106.39 4.70 0 10 -5 97.79 5.60 0 10 -5 97.19 6.20 -1 -10 -5 25.20 3.00 -1 -10 -5 27.70 3.40 1 -10 5 19.90 3.40 1 -10 5 22.40 3.10 -1 10 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22.10 5.00 8 10 5 13.70 4.10 -8 10 -5 23.40 4.60 -8 10 -5 14.70 7.00 -9 -10 -5 3.10 4.00 9 -10 5 -1.90 3.10 -9 -10 -5 2.70 4.40 -9 10 -5 6.40 4.40 -9 10 -5 -0.10 4.30 9 10 5 0.00 4.10 -10 -10 -5 -6.80 4.30 10 -10 5 2.80 5.90 -10 -10 -5 -1.80 4.90 10 -10 5 2.20 3.50 -10 10 -5 15.50 5.20 10 10 5 4.50 5.10 10 10 5 -10.70 5.00 -10 10 -5 2.90 5.10 11 -10 5 -5.40 6.60 -11 -10 -5 6.40 5.70 -11 -10 -5 -10.00 5.00 11 -10 5 -2.70 4.10 -11 10 -5 -3.70 5.30 11 10 5 -6.30 5.80 -11 10 -5 -0.40 5.40 11 10 5 -1.10 6.00 -12 -11 5 11.10 5.50 12 11 -5 -2.80 6.20 -12 11 5 14.90 4.10 12 11 -5 4.30 5.60 -12 11 5 6.30 4.10 11 11 -5 1.40 4.80 -11 11 5 -0.60 3.50 11 11 -5 -6.50 5.20 -11 11 5 7.90 3.60 -10 -11 5 1.80 4.20 -10 11 5 12.90 3.50 -10 11 5 12.80 3.10 10 11 -5 -2.60 4.90 -9 -11 5 8.20 4.40 9 11 -5 6.10 4.80 -9 11 5 10.80 3.20 9 11 -5 -1.00 4.10 -9 11 5 11.00 2.90 -8 -11 5 2.10 4.70 -8 11 5 5.30 2.40 8 11 -5 -1.90 3.50 8 11 -5 5.70 4.30 -8 11 5 1.40 3.00 -7 -11 5 2.70 3.40 7 11 -5 5.80 3.80 -7 11 5 4.00 2.80 -7 11 5 -0.20 2.20 7 11 -5 4.00 3.40 -6 -11 5 15.00 3.50 -6 -11 5 24.80 3.80 -6 11 5 15.50 3.00 6 11 -5 29.20 4.50 -6 11 5 23.80 2.70 6 11 -5 22.70 3.90 -5 -11 5 0.30 3.10 -5 -11 5 -3.00 3.20 5 11 -5 3.80 3.60 -5 11 5 1.10 2.20 -5 11 5 3.30 2.50 -4 -11 5 47.00 4.60 -4 -11 5 42.00 5.50 4 11 -5 56.29 6.40 -4 11 5 47.30 4.40 4 11 -5 45.00 5.60 -4 11 5 42.80 3.90 -3 -11 5 1.10 3.00 -3 -11 5 0.10 2.90 -3 11 5 5.20 2.40 3 11 -5 4.40 3.10 3 11 -5 2.70 3.30 -3 11 5 7.00 2.30 -2 -11 5 13.40 3.30 -2 -11 5 17.40 3.50 -2 11 5 17.30 2.70 2 11 -5 20.10 3.70 -2 11 5 15.80 2.70 1 -11 -5 9.10 1.50 -1 -11 5 4.00 3.10 1 -11 -5 8.40 1.50 -1 -11 5 4.30 2.90 1 11 -5 8.20 3.30 -1 11 5 8.70 2.50 -1 11 5 3.80 2.40 1 11 -5 7.00 3.20 0 -11 -5 42.80 3.10 0 -11 5 35.00 3.80 0 -11 -5 34.40 3.40 0 -11 5 26.60 3.60 0 11 -5 30.10 3.60 0 11 5 34.80 4.30 0 11 5 40.20 4.50 0 11 -5 30.90 4.30 1 -11 5 3.20 3.00 -1 -11 -5 1.20 2.20 1 -11 5 7.40 2.70 -1 -11 -5 7.60 2.00 1 11 5 2.10 2.70 1 11 5 2.90 2.50 -1 11 -5 9.30 3.30 -1 11 -5 -0.50 3.20 -2 -11 -5 288.37 7.80 -2 -11 -5 284.67 7.10 2 -11 5 289.27 8.20 2 -11 5 290.47 9.10 -2 11 -5 290.67 9.10 -2 11 -5 300.77 9.70 2 11 5 273.77 8.30 2 11 5 275.07 8.20 3 -11 5 26.90 3.20 3 -11 5 29.70 4.10 -3 -11 -5 26.30 3.00 -3 -11 -5 24.70 3.40 -3 11 -5 26.40 4.30 -3 11 -5 31.90 4.10 3 11 5 26.90 3.50 3 11 5 28.40 3.70 -4 -11 -5 1.30 2.50 4 -11 5 3.40 2.50 -4 -11 -5 -2.30 2.80 4 -11 5 5.30 3.60 4 11 5 2.50 6.00 4 11 5 5.80 3.00 -4 11 -5 1.50 4.30 -4 11 -5 6.70 3.50 5 -11 5 4.10 3.80 5 -11 5 0.70 2.40 -5 -11 -5 -4.30 2.60 5 11 5 -1.40 3.30 -5 11 -5 0.80 3.50 -5 11 -5 -0.80 3.30 5 11 5 1.30 3.00 -6 -11 -5 -1.00 3.00 6 -11 5 6.10 4.10 6 -11 5 1.30 2.60 -6 -11 -5 0.00 3.20 6 11 5 0.10 3.20 6 11 5 0.20 3.70 -6 11 -5 1.40 3.70 -6 11 -5 -0.70 3.40 -7 -11 -5 -0.10 3.60 7 -11 5 2.30 2.70 7 -11 5 -1.50 4.30 -7 -11 -5 3.10 3.40 7 11 5 -2.00 4.70 7 11 5 2.50 3.80 -7 11 -5 -0.80 3.90 -7 11 -5 12.70 4.60 8 -11 5 23.40 3.70 8 -11 5 18.30 7.50 -8 -11 -5 22.70 4.60 -8 11 -5 22.70 4.60 8 11 5 23.60 4.90 -8 11 -5 34.90 5.20 9 -11 5 0.80 6.00 -9 -11 -5 3.80 4.40 -9 -11 -5 0.80 4.90 9 -11 5 1.50 3.20 -9 11 -5 16.10 5.10 -9 11 -5 7.20 5.00 9 11 5 3.10 5.30 9 11 5 11.50 5.20 -10 -11 -5 11.90 5.10 -10 -11 -5 15.30 5.60 10 -11 5 10.20 6.40 10 -11 5 15.90 4.00 10 11 5 19.60 6.20 10 11 5 19.30 5.90 -10 11 -5 17.40 5.50 -10 11 -5 21.40 5.90 -11 -12 5 1.40 4.90 -11 -12 5 -6.40 5.40 -11 12 5 -4.30 3.80 -11 12 5 0.90 4.20 11 12 -5 -1.70 4.90 11 12 -5 4.40 6.30 -10 -12 5 14.00 5.40 -10 -12 5 6.10 4.90 -10 12 5 11.60 3.80 10 12 -5 5.10 5.60 -10 12 5 7.50 3.40 10 12 -5 6.30 4.70 -9 -12 5 5.20 4.70 -9 12 5 9.40 3.30 9 12 -5 8.60 5.10 -9 12 5 18.50 3.80 -8 -12 5 61.59 7.70 -8 12 5 65.49 6.10 8 12 -5 77.79 8.40 -8 12 5 63.59 5.20 -7 -12 5 4.80 4.30 -7 12 5 7.20 2.70 7 12 -5 -2.50 3.20 7 12 -5 -1.90 6.80 -7 12 5 5.30 3.00 -6 -12 5 22.30 4.10 6 12 -5 14.40 4.30 6 12 -5 15.20 4.00 -6 12 5 17.70 3.40 -6 12 5 17.40 2.90 -5 -12 5 1.90 3.30 -5 -12 5 1.60 3.30 -5 12 5 -2.20 2.30 -5 12 5 -1.00 2.60 5 12 -5 6.00 3.60 5 12 -5 0.40 3.40 -4 -12 5 0.10 3.30 -4 -12 5 1.70 3.10 -4 12 5 1.30 2.70 4 12 -5 1.00 3.60 4 12 -5 -0.10 3.20 -4 12 5 2.10 2.50 -3 -12 5 -3.20 3.00 -3 12 5 4.30 2.40 3 12 -5 -5.70 3.40 3 12 -5 0.70 3.30 -3 12 5 -2.90 2.50 -2 -12 5 36.90 4.30 -2 -12 5 39.40 4.40 -2 12 5 39.20 4.60 2 12 -5 35.40 4.70 -2 12 5 31.70 3.40 1 -12 -5 106.99 3.70 -1 -12 5 119.09 6.80 -1 -12 5 95.59 6.70 1 -12 -5 111.69 3.60 -1 12 5 98.09 5.70 1 12 -5 106.39 7.40 1 12 -5 87.49 11.20 -1 12 5 109.89 5.80 0 -12 -5 146.99 4.60 0 -12 5 155.78 7.60 0 -12 -5 146.19 5.10 0 -12 5 157.68 7.10 0 12 -5 142.19 8.00 0 12 5 149.09 6.60 0 12 5 152.38 6.50 1 -12 5 93.99 6.00 1 -12 5 86.59 6.60 -1 -12 -5 89.99 4.40 -1 -12 -5 86.79 4.90 1 12 5 89.19 5.80 -1 12 -5 87.99 7.40 1 12 5 90.79 6.00 2 -12 5 25.40 3.50 -2 -12 -5 23.80 2.80 -2 -12 -5 21.30 3.20 2 -12 5 20.10 3.90 -2 12 -5 19.00 4.10 2 12 5 24.90 3.80 -2 12 -5 25.90 4.50 2 12 5 20.60 3.40 3 -12 5 3.10 3.50 -3 -12 -5 -2.50 2.40 3 -12 5 0.00 2.60 -3 -12 -5 1.80 2.90 3 12 5 -0.90 3.10 -3 12 -5 0.20 3.40 -3 12 -5 -1.60 3.60 -4 -12 -5 -2.80 2.60 -4 -12 -5 -6.40 2.90 4 -12 5 2.60 2.50 4 -12 5 -1.30 3.70 4 12 5 -0.90 3.50 -4 12 -5 -2.90 3.40 4 12 5 -2.40 3.10 -4 12 -5 1.90 3.70 -5 -12 -5 5.40 3.50 5 -12 5 2.30 4.00 5 -12 5 4.60 2.60 -5 -12 -5 -1.40 3.40 -5 12 -5 6.50 3.80 5 12 5 0.20 3.30 5 12 5 4.00 3.80 -5 12 -5 1.80 3.80 6 -12 5 24.70 3.30 6 -12 5 27.90 5.00 -6 -12 -5 26.60 4.00 6 12 5 24.40 4.50 -6 12 -5 27.50 4.80 6 12 5 24.30 4.60 -6 12 -5 22.60 5.10 7 -12 5 17.40 7.20 7 12 5 14.90 4.60 -7 12 -5 29.60 5.00 7 12 5 18.70 4.80 -7 12 -5 27.30 4.90 8 -12 5 20.80 3.80 8 -12 5 18.00 7.80 -8 -12 -5 13.10 5.60 -8 -12 -5 15.70 5.00 -8 12 -5 22.20 5.30 8 12 5 26.00 5.60 8 12 5 11.10 4.80 -8 12 -5 13.40 5.20 9 -12 5 -3.30 6.00 -9 -12 -5 6.60 4.70 9 -12 5 2.70 3.50 -9 -12 -5 2.90 5.10 9 12 5 -7.50 5.30 -9 12 -5 2.50 5.20 9 12 5 4.10 5.70 -9 12 -5 6.50 5.40 10 -12 5 3.70 4.10 10 -12 5 -1.20 6.70 -10 -12 -5 -1.40 5.30 -10 -12 -5 -2.10 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7 2 -8 89.39 3.10 -7 2 8 84.19 3.10 -7 2 8 82.89 2.70 -6 -2 8 139.09 4.50 -6 -2 8 142.49 4.90 6 2 -8 137.59 3.90 6 2 -8 144.29 3.60 -6 2 8 142.89 3.50 -6 2 8 132.99 3.00 -5 -2 8 2.40 1.80 5 2 -8 0.20 1.30 5 2 -8 0.40 1.10 -4 -2 8 16.00 2.20 -4 -2 8 17.20 2.00 4 2 -8 19.90 2.10 4 2 -8 18.60 2.20 -3 -2 8 0.30 1.50 -3 -2 8 -1.90 1.60 3 2 -8 -0.10 1.20 3 2 -8 -0.60 1.20 -3 2 8 -1.20 0.80 -3 2 8 -1.70 0.90 -2 -2 8 47.80 3.10 -2 -2 8 46.90 3.40 -2 2 8 44.40 2.20 2 2 -8 48.20 2.80 -2 2 8 41.90 2.10 2 2 -8 49.60 2.80 1 -2 -8 36.10 1.50 -1 -2 8 40.80 3.40 1 -2 -8 34.30 1.60 -1 -2 8 41.40 3.10 -1 2 8 35.70 2.40 1 2 -8 38.30 2.80 1 2 -8 35.00 2.80 -1 2 8 34.80 2.20 0 -2 8 77.89 3.60 0 -2 8 85.19 4.10 0 -2 -8 80.69 2.80 0 -2 -8 76.19 2.80 0 2 8 73.99 2.90 0 2 -8 79.59 3.60 0 2 -8 79.69 3.50 0 2 8 81.09 3.30 -1 -2 -8 20.90 2.50 -1 -2 -8 20.60 2.40 1 -2 8 22.70 2.70 1 -2 8 22.00 2.80 1 2 8 22.40 2.10 1 2 8 21.10 2.40 -1 2 -8 23.10 3.00 -1 2 -8 19.70 2.20 -2 -2 -8 121.69 4.20 2 -2 8 118.49 5.10 -2 -2 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8.10 4.50 9 -2 8 10.10 3.60 -9 -2 -8 7.00 4.50 9 2 8 15.30 5.20 -9 2 -8 12.80 4.50 9 2 8 5.50 4.70 -10 -2 -8 3.90 4.00 -10 -2 -8 3.20 5.20 10 -2 8 0.80 3.50 10 2 8 8.60 5.80 10 2 8 -6.60 3.60 -10 2 -8 3.90 3.80 -11 -2 -8 -3.90 4.30 11 -2 8 6.90 5.90 -11 -2 -8 3.00 4.60 11 -2 8 -8.50 3.80 11 2 8 -5.30 4.00 -11 2 -8 9.40 4.60 -11 2 -8 -4.90 4.60 11 2 8 2.30 5.60 12 -2 8 8.00 7.10 -12 -2 -8 12.10 5.40 -12 -2 -8 2.60 5.00 12 -2 8 1.90 4.70 12 2 8 14.50 6.40 -12 2 -8 4.00 4.90 12 2 8 3.30 5.30 -12 2 -8 -3.80 5.30 -14 -3 8 6.00 4.40 -14 -3 8 0.80 4.20 14 3 -8 0.40 3.10 -14 3 8 2.00 3.50 -14 3 8 -1.80 3.50 14 3 -8 2.50 3.20 -13 -3 8 4.10 3.80 -13 -3 8 5.80 3.90 -13 3 8 5.00 3.00 -13 3 8 1.60 2.90 13 3 -8 8.00 3.10 13 3 -8 3.60 3.00 -12 -3 8 12.10 3.60 -12 -3 8 10.30 3.60 12 3 -8 11.70 2.90 12 3 -8 13.50 2.80 -12 3 8 11.10 2.90 -12 3 8 10.40 2.70 -11 -3 8 18.00 3.40 -11 -3 8 12.80 3.20 -11 3 8 14.70 2.50 11 3 -8 15.20 2.70 11 3 -8 11.70 2.80 -11 3 8 9.50 2.60 -10 -3 8 87.19 5.50 -10 -3 8 69.49 5.10 -10 3 8 76.39 3.80 10 3 -8 70.99 4.70 10 3 -8 77.39 4.30 -10 3 8 73.79 4.00 -9 -3 8 30.70 3.20 -9 -3 8 26.80 3.10 9 3 -8 29.30 3.50 9 3 -8 30.70 4.00 -9 3 8 30.90 2.90 -9 3 8 32.10 2.80 -8 -3 8 65.89 4.40 -8 -3 8 66.39 4.50 8 3 -8 66.09 3.60 -8 3 8 62.89 2.90 8 3 -8 63.39 4.20 -8 3 8 61.69 2.80 -7 -3 8 0.40 1.90 -7 -3 8 -0.50 2.10 -7 3 8 2.20 1.00 7 3 -8 0.30 1.90 -7 3 8 1.10 1.20 7 3 -8 4.50 1.70 -6 -3 8 0.30 1.90 6 3 -8 0.00 1.40 6 3 -8 0.70 1.70 -5 -3 8 2.20 1.90 -5 -3 8 3.50 1.80 5 3 -8 3.80 1.40 5 3 -8 3.30 1.80 -4 -3 8 279.97 6.60 -4 -3 8 282.77 7.00 4 3 -8 277.27 6.30 4 3 -8 278.37 6.00 -3 -3 8 106.69 4.20 -3 -3 8 105.39 4.50 3 3 -8 112.29 4.00 3 3 -8 108.79 3.80 -2 -3 8 22.70 2.50 -2 -3 8 19.80 2.20 -2 3 8 18.60 1.60 2 3 -8 21.60 2.90 2 3 -8 21.60 2.10 -2 3 8 20.30 1.80 -1 -3 8 0.00 1.70 -1 -3 8 1.80 1.90 1 3 -8 -0.90 1.50 1 3 -8 1.10 1.50 -1 3 8 -1.10 1.00 -1 3 8 0.00 1.10 0 -3 -8 174.78 3.90 0 -3 8 177.98 5.10 0 -3 -8 173.68 3.90 0 -3 8 172.98 5.80 0 3 -8 174.48 5.10 0 3 -8 173.58 5.10 0 3 8 170.58 4.40 0 3 8 172.38 4.20 1 -3 8 1.60 2.10 -1 -3 -8 0.70 1.40 -1 -3 -8 0.40 1.40 1 -3 8 0.50 1.60 -1 3 -8 0.40 1.70 1 3 8 1.50 1.60 -1 3 -8 2.20 1.80 1 3 8 1.20 1.40 2 -3 8 1.50 2.10 -2 -3 -8 3.30 1.70 -2 -3 -8 4.70 1.60 2 -3 8 5.00 1.70 -2 3 -8 2.20 1.90 2 3 8 6.50 2.00 2 3 8 6.70 1.70 -2 3 -8 5.30 2.00 3 -3 8 0.10 2.50 -3 -3 -8 1.50 1.80 3 -3 8 5.10 1.80 -3 -3 -8 0.80 1.70 -3 3 -8 3.90 2.00 3 3 8 3.50 1.70 3 3 8 3.60 2.00 -3 3 -8 4.10 2.00 -4 -3 -8 18.00 2.50 -4 -3 -8 16.10 2.30 4 -3 8 12.00 2.10 4 -3 8 8.80 3.00 -4 3 -8 14.10 2.70 4 3 8 16.40 2.70 -4 3 -8 14.30 2.60 4 3 8 21.40 2.40 -5 -3 -8 2.90 2.30 -5 -3 -8 3.10 2.20 5 -3 8 0.60 3.00 5 -3 8 3.30 2.10 5 3 8 -0.20 2.50 -5 3 -8 -2.40 2.30 -5 3 -8 -3.20 2.30 5 3 8 1.70 2.10 -6 -3 -8 12.10 2.90 6 -3 8 11.10 3.50 -6 -3 -8 12.00 2.70 6 -3 8 12.80 2.60 -6 3 -8 10.40 2.80 6 3 8 9.90 2.60 6 3 8 8.00 3.00 -6 3 -8 9.00 2.90 -7 -3 -8 -0.40 2.80 7 -3 8 5.40 2.60 -7 -3 -8 7.40 3.40 -7 3 -8 2.40 2.70 7 3 8 -0.80 3.10 -7 3 -8 9.50 3.30 7 3 8 7.10 2.70 8 -3 8 0.60 4.10 -8 -3 -8 -3.30 2.80 -8 -3 -8 -1.80 3.10 8 -3 8 5.50 2.80 -8 3 -8 1.70 3.00 8 3 8 1.40 2.80 9 -3 8 -4.60 3.30 9 -3 8 -2.20 4.20 -9 -3 -8 3.70 3.70 9 3 8 -1.50 3.20 -9 3 -8 -4.70 3.30 10 -3 8 -4.70 3.40 -10 -3 -8 -1.00 3.80 -10 -3 -8 -1.40 4.00 -10 3 -8 -4.30 3.70 10 3 8 0.50 3.80 10 3 8 1.40 4.60 11 -3 8 5.10 5.90 11 -3 8 0.00 4.20 -11 -3 -8 -0.60 4.60 -11 -3 -8 -0.60 4.40 11 3 8 -1.10 4.30 -11 3 -8 1.60 4.50 -11 3 -8 -6.70 4.80 11 3 8 3.10 5.60 12 -3 8 6.60 7.30 12 -3 8 -3.50 4.70 -12 -3 -8 -2.10 5.20 -12 -3 -8 0.30 5.40 12 3 8 -10.00 6.20 -12 3 -8 -5.40 5.70 -12 3 -8 3.60 4.80 12 3 8 -10.40 4.90 -14 -4 8 -0.60 4.50 -14 -4 8 6.60 4.50 14 4 -8 4.00 3.70 -14 4 8 -2.80 3.30 14 4 -8 3.20 4.00 -14 4 8 2.80 3.40 -13 -4 8 4.10 4.00 -13 -4 8 0.60 4.00 13 4 -8 10.30 3.80 -13 4 8 3.90 2.90 13 4 -8 2.70 3.20 -13 4 8 2.30 3.00 -12 -4 8 1.70 3.20 -12 -4 8 0.70 3.50 12 4 -8 -1.10 3.20 12 4 -8 2.50 2.90 -12 4 8 2.30 2.40 -12 4 8 0.50 2.50 -11 -4 8 3.20 3.00 -11 -4 8 2.00 3.00 -11 4 8 5.00 2.10 11 4 -8 4.80 2.70 11 4 -8 4.50 3.10 -11 4 8 -2.00 2.20 -10 -4 8 -0.10 2.80 -10 -4 8 -0.10 2.70 -10 4 8 -1.90 1.70 10 4 -8 2.40 2.30 -10 4 8 0.00 1.90 10 4 -8 1.70 2.70 -9 -4 8 50.49 4.90 -9 -4 8 53.69 5.00 -9 4 8 49.50 2.90 9 4 -8 48.50 4.80 -9 4 8 53.69 3.10 9 4 -8 50.09 4.10 -8 -4 8 17.10 2.80 -8 -4 8 14.70 2.90 -8 4 8 14.50 1.50 8 4 -8 12.30 2.70 8 4 -8 11.20 2.30 -8 4 8 14.30 1.60 -7 -4 8 82.49 4.80 -7 -4 8 85.39 5.00 7 4 -8 85.19 3.90 7 4 -8 86.79 4.70 -6 -4 8 59.69 4.40 6 4 -8 56.89 3.40 6 4 -8 60.49 4.10 -5 -4 8 50.19 4.10 -5 -4 8 43.70 3.80 5 4 -8 54.09 3.90 5 4 -8 56.49 3.30 -4 -4 8 12.60 2.40 -4 -4 8 13.90 2.30 4 4 -8 18.30 2.10 4 4 -8 10.70 2.20 -3 -4 8 -0.80 1.80 -3 -4 8 -0.80 2.00 3 4 -8 1.10 1.60 3 4 -8 -2.20 1.70 -2 -4 8 34.90 3.60 -2 -4 8 34.00 3.80 2 4 -8 33.60 3.40 -2 4 8 36.60 1.70 -2 4 8 36.60 1.90 2 4 -8 37.20 3.20 -1 -4 8 -0.70 1.80 -1 -4 8 3.00 2.20 -1 4 8 1.30 1.20 1 4 -8 0.20 1.70 1 4 -8 -1.30 1.70 -1 4 8 0.30 1.00 0 -4 8 11.30 1.90 0 -4 8 12.20 2.50 0 -4 -8 16.00 1.80 0 -4 -8 14.40 1.80 0 4 8 14.70 1.70 0 4 -8 14.20 2.20 0 4 8 15.10 1.60 0 4 -8 12.70 2.20 -1 -4 -8 129.19 3.70 1 -4 8 131.29 5.60 1 -4 8 135.59 4.80 -1 -4 -8 129.59 3.90 -1 4 -8 131.59 5.00 1 4 8 128.39 4.30 -1 4 -8 132.59 4.90 1 4 8 131.49 4.00 -2 -4 -8 88.89 3.60 2 -4 8 89.89 4.20 -2 -4 -8 87.79 3.80 2 -4 8 92.59 5.20 2 4 8 87.59 3.70 2 4 8 86.79 4.10 -2 4 -8 90.29 4.60 -2 4 -8 88.59 4.50 -3 -4 -8 69.59 4.00 -3 -4 -8 70.29 3.80 3 -4 8 65.09 4.00 3 -4 8 64.09 5.20 3 4 8 73.39 4.30 -3 4 -8 64.09 4.50 3 4 8 70.99 3.90 -3 4 -8 70.49 4.50 -4 -4 -8 -0.80 1.90 4 -4 8 -0.30 1.90 4 -4 8 -1.70 2.80 -4 -4 -8 0.40 2.00 4 4 8 2.30 2.00 -4 4 -8 1.00 2.30 4 4 8 3.20 2.40 -4 4 -8 -2.50 2.30 5 -4 8 -2.00 2.90 -5 -4 -8 2.90 2.40 5 -4 8 2.30 2.20 -5 -4 -8 -2.80 2.10 -5 4 -8 -0.90 2.60 -5 4 -8 -2.20 2.30 5 4 8 2.90 2.20 5 4 8 0.40 2.60 6 -4 8 14.50 4.00 -6 -4 -8 9.80 2.90 6 -4 8 16.60 2.80 -6 -4 -8 14.90 3.00 6 4 8 16.60 2.90 6 4 8 12.50 3.30 -6 4 -8 14.60 3.20 -6 4 -8 10.10 3.20 7 -4 8 2.80 2.60 7 -4 8 -1.30 5.70 -7 -4 -8 3.00 3.00 7 4 8 -1.00 3.00 7 4 8 3.10 2.70 -7 4 -8 -0.60 3.00 -7 4 -8 0.30 2.90 -8 -4 -8 12.70 3.60 -8 -4 -8 17.80 3.60 8 -4 8 14.30 3.10 8 -4 8 9.60 4.60 -8 4 -8 18.20 3.70 8 4 8 17.60 3.40 9 -4 8 -3.10 4.00 -9 -4 -8 -0.60 3.50 9 -4 8 -0.80 4.50 -9 4 -8 8.80 3.90 9 4 8 4.60 3.50 -10 -4 -8 -4.30 4.00 -10 -4 -8 0.70 4.00 10 -4 8 6.30 3.80 10 4 8 1.70 4.20 -10 4 -8 0.70 4.20 10 4 8 -0.50 4.80 11 -4 8 6.80 4.30 -11 -4 -8 -1.90 4.30 11 -4 8 13.10 6.50 -11 -4 -8 -3.70 4.70 11 4 8 -9.30 4.50 -11 4 -8 -3.50 4.50 -11 4 -8 0.50 4.90 11 4 8 4.00 5.40 12 -4 8 3.40 7.40 12 -4 8 -7.90 4.50 -12 4 -8 -3.80 4.80 12 4 8 9.70 6.80 12 4 8 2.60 5.50 -14 -5 8 -1.20 4.70 -14 -5 8 -9.40 4.30 14 5 -8 2.10 4.50 14 5 -8 0.70 3.90 -14 5 8 -1.50 3.40 -14 5 8 1.20 3.40 -13 -5 8 -0.70 4.00 -13 -5 8 -3.70 4.10 -13 5 8 1.10 3.00 13 5 -8 5.80 3.70 13 5 -8 -3.50 4.00 -13 5 8 -1.70 2.80 -12 -5 8 5.60 4.30 -12 -5 8 2.40 3.60 -12 5 8 7.30 2.70 12 5 -8 1.30 3.80 12 5 -8 7.00 3.40 -12 5 8 9.00 2.50 -11 -5 8 78.19 6.30 -11 -5 8 61.09 6.30 -11 5 8 59.39 3.90 11 5 -8 64.29 6.30 11 5 -8 57.59 5.40 -11 5 8 61.49 4.30 -10 -5 8 -0.40 2.90 -10 5 8 3.40 1.90 -10 5 8 2.80 1.70 10 5 -8 -2.20 2.50 10 5 -8 -1.80 2.90 -9 -5 8 11.20 3.00 -9 -5 8 14.00 3.20 -9 5 8 15.10 1.90 9 5 -8 8.60 3.10 -9 5 8 11.30 1.60 9 5 -8 12.00 2.60 -8 -5 8 70.79 5.10 -8 -5 8 79.69 5.50 -8 5 8 73.29 2.60 8 5 -8 78.49 5.40 -8 5 8 72.99 2.70 8 5 -8 72.09 4.40 -7 -5 8 5.20 2.60 7 5 -8 1.70 2.50 7 5 -8 4.40 2.10 -6 -5 8 12.20 2.50 -6 -5 8 8.50 2.60 6 5 -8 7.90 2.50 6 5 -8 9.90 2.10 -5 -5 8 5.20 2.20 -5 -5 8 4.00 2.30 5 5 -8 4.80 1.90 5 5 -8 4.50 2.30 -4 -5 8 55.99 4.20 -4 -5 8 52.59 4.30 4 5 -8 51.49 4.20 4 5 -8 55.89 3.60 -3 -5 8 123.49 5.00 -3 -5 8 128.29 5.30 3 5 -8 121.09 5.20 -2 -5 8 3.80 2.00 -2 -5 8 6.20 2.40 2 5 -8 4.20 2.20 2 5 -8 5.40 1.90 -2 5 8 6.10 1.00 -2 5 8 6.20 1.10 -1 -5 8 33.30 3.70 -1 -5 8 33.10 4.20 1 5 -8 30.10 3.80 1 5 -8 39.80 3.70 -1 5 8 32.80 2.20 -1 5 8 34.00 2.40 0 -5 8 6.30 2.50 0 -5 -8 9.50 1.20 0 -5 8 6.90 2.10 0 5 8 9.60 1.60 0 5 -8 8.30 2.10 0 5 -8 9.50 2.40 0 5 8 7.90 1.50 1 -5 8 30.40 3.30 -1 -5 -8 35.30 2.50 -1 -5 -8 33.30 2.70 1 -5 8 35.60 3.70 -1 5 -8 38.40 4.00 -1 5 -8 33.00 4.00 1 5 8 33.20 2.80 1 5 8 34.80 3.20 -2 -5 -8 107.09 4.10 2 -5 8 108.19 4.60 -2 -5 -8 97.99 3.90 2 -5 8 104.19 5.70 2 5 8 97.99 4.40 2 5 8 108.69 4.20 -2 5 -8 103.99 5.00 -2 5 -8 108.39 5.10 -3 -5 -8 104.39 4.30 3 -5 8 106.39 6.20 3 -5 8 107.69 4.80 -3 -5 -8 104.69 4.60 3 5 8 112.19 4.50 -3 5 -8 113.59 5.40 3 5 8 103.79 5.00 -3 5 -8 112.69 5.50 -4 -5 -8 47.40 4.30 -4 -5 -8 49.50 4.00 4 -5 8 50.69 4.10 4 -5 8 43.00 5.60 -4 5 -8 47.00 4.80 4 5 8 49.50 4.60 4 5 8 52.69 4.10 -4 5 -8 51.79 4.90 5 -5 8 15.40 3.80 -5 -5 -8 23.20 3.00 -5 -5 -8 21.90 2.90 5 -5 8 22.50 2.90 5 5 8 20.70 3.20 -5 5 -8 18.60 3.20 -5 5 -8 20.70 3.10 5 5 8 19.70 2.90 -6 -5 -8 4.50 2.80 6 -5 8 3.60 2.40 -6 -5 -8 2.20 2.60 6 -5 8 0.00 3.70 -6 5 -8 3.70 3.00 -6 5 -8 2.70 5.10 6 5 8 3.20 2.50 6 5 8 7.60 3.80 -7 -5 -8 3.00 3.00 7 -5 8 2.20 4.10 7 -5 8 5.50 2.70 -7 -5 -8 2.10 3.70 7 5 8 0.50 3.00 -7 5 -8 -0.60 3.10 -7 5 -8 3.20 3.10 7 5 8 -0.20 2.80 8 -5 8 5.30 3.00 -8 -5 -8 3.90 3.40 8 -5 8 5.10 4.60 -8 -5 -8 5.10 3.50 8 5 8 13.60 5.00 -8 5 -8 -2.90 3.50 9 -5 8 1.10 4.50 -9 -5 -8 -2.70 3.60 9 5 8 -0.30 3.60 -9 5 -8 4.00 3.80 10 -5 8 0.50 3.70 -10 -5 -8 6.10 4.20 -10 -5 -8 0.70 4.30 10 5 8 7.30 5.20 10 5 8 -3.40 4.20 -10 5 -8 0.60 4.10 -10 5 -8 -6.00 4.20 11 -5 8 3.30 6.90 11 -5 8 0.30 4.20 -11 -5 -8 5.70 5.00 -11 -5 -8 6.30 5.00 -11 5 -8 2.00 5.30 11 5 8 4.10 5.60 11 5 8 -7.80 4.60 -11 5 -8 -9.60 4.50 -14 -6 8 6.80 5.30 -13 -6 8 19.10 4.80 -13 -6 8 13.40 4.80 13 6 -8 14.60 4.90 -13 6 8 16.80 3.50 13 6 -8 11.60 4.20 -13 6 8 12.70 3.10 -12 -6 8 -5.80 3.60 -12 -6 8 0.30 3.80 -12 6 8 -1.10 2.30 12 6 -8 -3.60 4.00 12 6 -8 4.70 3.60 -12 6 8 -0.90 2.50 -11 -6 8 6.90 3.50 -11 -6 8 10.80 3.60 -11 6 8 7.50 2.20 11 6 -8 11.50 3.90 -11 6 8 9.70 2.50 11 6 -8 7.20 3.20 -10 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13.00 2.60 -5 -4 10 16.20 3.00 5 4 -10 16.20 2.20 5 4 -10 11.70 2.30 -4 -4 10 7.20 2.60 -4 -4 10 7.90 2.30 4 4 -10 7.30 1.90 4 4 -10 7.70 2.10 -3 -4 10 2.30 2.20 -3 -4 10 1.10 2.40 -3 4 10 4.20 1.20 -3 4 10 2.50 1.00 3 4 -10 3.00 2.00 -2 -4 10 9.30 2.70 -2 -4 10 7.40 2.30 2 4 -10 9.50 2.20 2 4 -10 13.50 2.20 -2 4 10 10.70 1.50 -2 4 10 12.30 1.40 -1 -4 10 27.80 2.90 -1 -4 10 28.20 3.30 -1 4 10 28.00 2.80 1 4 -10 34.00 3.70 -1 4 10 30.00 2.50 1 4 -10 31.60 3.70 0 -4 10 224.08 7.40 0 -4 -10 215.98 4.60 0 -4 10 229.68 6.60 0 -4 -10 215.08 4.60 0 4 10 204.68 5.60 0 4 -10 213.38 6.40 0 4 10 210.58 5.20 0 4 -10 218.28 6.50 1 -4 10 -1.30 1.90 -1 -4 -10 1.40 1.60 1 -4 10 -1.40 2.50 -1 -4 -10 0.00 1.60 1 4 10 0.50 1.60 -1 4 -10 -0.80 2.10 -1 4 -10 -1.30 2.10 1 4 10 1.20 1.90 2 -4 10 0.50 2.00 -2 -4 -10 -1.80 1.90 2 -4 10 -1.40 2.90 -2 4 -10 -1.00 2.20 2 4 10 1.60 1.90 -2 4 -10 -2.90 2.20 2 4 10 -0.90 2.20 -3 -4 -10 -1.40 2.10 3 -4 10 3.60 3.20 3 -4 10 1.20 2.20 -3 -4 -10 -1.70 2.20 -3 4 -10 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10 -1.40 4.50 11 -4 10 8.50 7.30 11 -4 10 2.00 4.90 11 4 10 7.40 6.40 -11 4 -10 -4.50 4.80 11 4 10 -6.90 5.20 -13 -5 10 11.90 4.60 -13 -5 10 19.90 4.60 13 5 -10 19.50 3.80 -13 5 10 15.80 3.30 -13 5 10 8.00 2.90 13 5 -10 14.60 3.40 -12 -5 10 10.30 6.30 -12 -5 10 8.00 3.90 -12 5 10 5.40 2.60 -12 5 10 4.30 2.30 12 5 -10 12.00 3.50 12 5 -10 3.20 3.00 -11 -5 10 8.50 3.40 -11 -5 10 1.60 3.50 -11 5 10 -2.60 2.00 11 5 -10 -0.50 3.20 11 5 -10 -0.20 2.70 -11 5 10 -0.60 1.90 -10 -5 10 65.29 6.70 -10 -5 10 66.19 6.00 10 5 -10 64.69 4.80 -10 5 10 62.99 3.20 10 5 -10 65.29 5.50 -10 5 10 58.29 3.30 -9 -5 10 6.00 3.30 -9 5 10 9.30 1.50 -9 5 10 7.00 1.50 9 5 -10 11.60 3.10 9 5 -10 6.50 2.40 -8 -5 10 0.50 2.90 -8 -5 10 -6.90 2.80 8 5 -10 -2.50 2.10 8 5 -10 -0.70 2.80 -7 -5 10 14.60 3.30 -7 -5 10 12.40 3.00 7 5 -10 14.90 2.40 7 5 -10 14.10 2.90 -6 -5 10 -2.40 2.40 -6 -5 10 3.30 2.70 6 5 -10 -1.60 2.50 6 5 -10 0.00 1.90 -5 -5 10 24.70 3.20 -5 -5 10 18.40 2.90 5 5 -10 21.50 3.00 5 5 -10 23.50 2.60 -4 -5 10 0.30 2.60 -4 -5 10 -0.30 2.20 4 5 -10 -0.40 1.90 4 5 -10 -0.70 2.10 -3 -5 10 12.00 2.90 -3 -5 10 6.60 2.50 -3 5 10 9.60 1.10 3 5 -10 8.80 2.50 -3 5 10 11.20 1.30 -2 -5 10 1.10 2.70 -2 -5 10 -3.90 2.10 -2 5 10 1.60 1.30 -2 5 10 1.80 1.20 2 5 -10 0.60 2.20 2 5 -10 0.50 2.10 -1 -5 10 10.80 2.50 -1 -5 10 6.00 2.90 1 5 -10 7.90 2.40 -1 5 10 11.50 1.80 1 5 -10 11.90 2.60 -1 5 10 9.10 1.50 0 -5 10 13.00 2.40 0 -5 -10 14.20 1.50 0 -5 10 14.20 3.30 0 5 -10 13.60 2.60 0 5 10 14.10 2.10 0 5 -10 11.20 2.50 0 5 10 16.30 2.00 -1 -5 -10 -1.80 1.50 1 -5 10 -0.20 3.00 1 -5 10 0.90 2.20 -1 -5 -10 0.10 1.60 -1 5 -10 -0.40 2.30 1 5 10 0.80 2.00 1 5 10 3.00 1.70 -1 5 -10 0.80 2.40 -2 -5 -10 58.89 4.00 2 -5 10 63.59 6.00 -2 -5 -10 63.59 3.90 2 -5 10 61.99 4.60 2 5 10 66.89 4.60 -2 5 -10 63.59 5.10 -2 5 -10 62.79 5.10 2 5 10 64.49 4.10 -3 -5 -10 167.68 5.90 3 -5 10 173.78 7.90 3 -5 10 180.58 6.30 -3 -5 -10 167.08 5.70 3 5 10 150.58 6.30 -3 5 -10 161.28 6.70 -3 5 -10 177.08 7.00 3 5 10 162.68 5.80 4 -5 10 75.39 7.10 4 -5 10 89.29 5.20 -4 -5 -10 79.39 5.10 -4 -5 -10 77.39 5.30 4 5 10 89.99 5.20 4 5 10 89.49 6.00 -4 5 -10 83.49 5.80 -4 5 -10 82.29 6.00 -5 -5 -10 -2.00 2.70 -5 -5 -10 1.10 2.70 5 -5 10 -3.50 3.90 5 -5 10 -0.40 2.40 -5 5 -10 -1.00 2.90 5 5 10 -1.60 4.60 5 5 10 0.50 2.60 -5 5 -10 -2.20 3.30 6 -5 10 0.70 4.50 -6 -5 -10 5.30 3.50 -6 -5 -10 7.00 3.20 6 -5 10 3.60 2.80 6 5 10 6.10 3.80 -6 5 -10 6.80 3.80 6 5 10 4.10 2.80 -6 5 -10 2.90 3.20 -7 -5 -10 -1.10 3.30 -7 -5 -10 4.80 3.20 7 -5 10 5.70 4.30 7 -5 10 4.20 4.40 7 5 10 -6.50 3.30 8 -5 10 2.70 3.40 -8 -5 -10 -4.00 3.60 -8 5 -10 1.40 3.90 8 5 10 -4.40 3.60 -9 -5 -10 2.60 4.20 9 -5 10 10.20 4.00 -9 -5 -10 2.50 4.20 9 -5 10 4.60 6.20 9 5 10 6.00 4.40 -9 5 -10 9.10 4.50 -10 -5 -10 0.00 4.70 10 -5 10 2.90 6.70 -10 -5 -10 -5.70 4.90 10 -5 10 -2.60 4.30 -10 5 -10 0.30 5.40 10 5 10 -5.00 4.80 10 5 10 -2.40 5.50 -10 5 -10 1.70 5.10 -13 -6 10 17.50 5.00 -13 -6 10 18.50 5.00 13 6 -10 30.10 4.70 -13 6 10 11.60 3.10 13 6 -10 12.90 3.90 -13 6 10 22.30 3.40 -12 -6 10 3.50 4.10 -12 -6 10 1.50 3.80 -12 6 10 -0.40 2.30 -12 6 10 2.60 2.60 12 6 -10 7.40 4.00 12 6 -10 1.80 3.30 -11 -6 10 -0.40 3.70 11 6 -10 2.10 3.50 -11 6 10 1.70 2.00 -11 6 10 -1.60 1.80 11 6 -10 -1.70 3.00 -10 -6 10 0.50 3.60 10 6 -10 3.20 3.30 -10 6 10 4.20 1.70 -10 6 10 1.40 1.60 10 6 -10 5.70 2.90 -9 -6 10 -0.80 3.60 9 6 -10 -2.20 2.40 9 6 -10 -0.20 3.20 -8 -6 10 4.00 3.20 -8 -6 10 -5.10 3.10 8 6 -10 -0.70 3.00 8 6 -10 2.40 2.40 -7 -6 10 205.08 8.00 -7 -6 10 198.48 7.60 7 6 -10 191.38 6.40 7 6 -10 208.98 7.40 -6 -6 10 11.30 3.30 -6 -6 10 10.90 2.90 6 6 -10 11.90 2.60 6 6 -10 15.70 3.20 -5 -6 10 37.80 3.70 -5 -6 10 34.00 3.80 5 6 -10 37.10 5.00 5 6 -10 43.50 4.10 -4 -6 10 11.70 3.10 -4 -6 10 14.50 3.00 4 6 -10 14.30 2.60 4 6 -10 15.50 3.00 -3 -6 10 25.20 3.30 -3 -6 10 28.40 3.60 3 6 -10 26.50 3.20 -3 6 10 23.90 1.80 -3 6 10 25.70 2.10 -2 -6 10 35.00 3.80 -2 -6 10 36.20 4.50 2 6 -10 34.50 4.30 -2 6 10 32.50 2.70 -2 6 10 35.90 2.40 2 6 -10 34.90 4.60 -1 -6 10 40.50 4.70 -1 -6 10 34.00 3.90 -1 6 10 43.30 3.20 1 6 -10 37.80 4.60 -1 6 10 40.30 2.90 1 6 -10 44.40 4.70 0 -6 10 40.40 4.40 0 -6 10 32.90 4.00 0 6 10 41.50 3.60 0 6 -10 37.60 4.70 0 6 10 43.50 3.20 0 6 -10 37.00 4.50 1 -6 10 36.30 4.10 -1 -6 -10 35.00 3.00 1 -6 10 33.80 4.50 -1 -6 -10 35.10 3.00 -1 6 -10 28.10 3.40 -1 6 -10 41.70 4.90 1 6 10 37.50 3.40 1 6 10 37.50 4.00 -2 -6 -10 1.80 2.00 2 -6 10 3.70 2.40 2 -6 10 5.10 3.20 -2 -6 -10 -0.20 1.90 2 6 10 1.00 2.40 2 6 10 2.40 2.20 -2 6 -10 3.30 2.80 -2 6 -10 1.80 2.80 -3 -6 -10 1.70 2.40 3 -6 10 6.10 2.50 -3 -6 -10 3.70 2.50 3 -6 10 3.40 3.90 -3 6 -10 4.70 3.00 3 6 10 4.00 2.40 -3 6 -10 6.50 3.00 3 6 10 2.10 2.70 -4 -6 -10 45.50 4.80 4 -6 10 51.49 5.00 -4 -6 -10 53.09 4.90 -4 6 -10 53.89 5.70 -4 6 -10 34.30 7.10 4 6 10 50.49 5.70 4 6 10 45.60 4.80 -5 -6 -10 14.60 3.20 5 -6 10 17.20 3.20 -5 -6 -10 21.10 3.40 5 -6 10 16.50 4.70 5 6 10 18.00 3.70 -5 6 -10 20.90 3.70 5 6 10 17.10 3.00 -5 6 -10 15.20 4.10 -6 -6 -10 8.30 3.20 6 -6 10 13.20 4.90 6 -6 10 12.80 3.00 -6 -6 -10 6.60 4.90 6 6 10 8.90 3.20 -6 6 -10 7.90 3.40 6 6 10 11.00 4.00 7 -6 10 5.30 5.50 -7 -6 -10 10.00 3.70 -7 -6 -10 8.60 3.50 7 -6 10 6.80 4.10 7 6 10 0.80 3.90 -7 6 -10 8.00 3.90 7 6 10 8.80 3.60 -8 -6 -10 -2.10 3.90 8 -6 10 -3.70 3.40 8 6 10 -3.90 3.90 -8 6 -10 2.00 4.30 9 -6 10 -5.30 3.80 -9 -6 -10 -4.80 4.40 -9 -6 -10 -0.50 4.30 9 -6 10 2.20 6.30 -9 6 -10 -3.00 5.00 9 6 10 -4.50 4.30 9 6 10 -3.10 5.10 -9 6 -10 5.20 4.70 -10 -6 -10 3.10 5.20 10 -6 10 3.40 4.50 -10 -6 -10 -5.40 5.30 10 -6 10 10.60 7.30 10 6 10 0.80 4.90 10 6 10 -4.10 5.70 -10 6 -10 3.70 5.20 -10 6 -10 8.70 5.70 -13 -7 10 11.40 5.10 -13 -7 10 12.60 5.20 13 7 -10 12.50 4.70 13 7 -10 5.00 4.40 -13 7 10 12.80 3.20 -13 7 10 11.00 3.10 -12 -7 10 14.00 4.70 12 7 -10 11.80 4.40 -12 7 10 17.50 2.80 12 7 -10 19.40 4.00 -12 7 10 15.80 2.70 -11 -7 10 21.50 4.60 -11 7 10 20.90 2.40 11 7 -10 17.60 4.20 -11 7 10 23.30 2.60 11 7 -10 16.10 3.70 -10 -7 10 14.20 4.10 10 7 -10 14.20 4.00 10 7 -10 18.70 3.60 -10 7 10 13.40 1.80 -10 7 10 14.50 2.10 -9 -7 10 43.70 4.80 -9 -7 10 38.90 4.70 9 7 -10 43.40 4.60 9 7 -10 41.40 5.10 -8 -7 10 -0.80 3.40 -8 -7 10 -2.90 3.20 8 7 -10 -0.40 3.20 8 7 -10 0.50 2.80 -7 -7 10 5.40 3.30 -7 -7 10 9.80 3.60 7 7 -10 5.50 3.20 7 7 -10 7.70 2.80 -6 -7 10 6.50 3.40 -6 -7 10 4.60 3.10 6 7 -10 4.90 3.10 6 7 -10 6.50 2.60 -5 -7 10 120.49 6.50 -5 -7 10 114.89 6.80 5 7 -10 123.59 5.70 5 7 -10 130.39 6.60 -4 -7 10 4.90 3.20 -4 -7 10 7.70 3.00 4 7 -10 7.40 2.60 4 7 -10 7.90 3.10 -3 -7 10 14.90 3.10 -3 -7 10 17.70 3.60 -3 7 10 16.00 2.00 -3 7 10 12.70 1.60 3 7 -10 11.20 3.20 -2 -7 10 4.30 3.10 -2 -7 10 -1.20 2.50 -2 7 10 -0.70 1.50 -2 7 10 1.60 1.40 2 7 -10 1.80 2.70 2 7 -10 0.70 2.40 -1 -7 10 6.30 3.20 -1 -7 10 2.90 2.70 -1 7 10 5.00 1.90 -1 7 10 4.30 1.70 1 7 -10 1.80 2.60 1 7 -10 4.50 2.80 0 -7 10 52.09 5.00 0 -7 10 50.09 5.90 0 7 -10 56.59 5.10 0 7 -10 52.19 5.30 0 7 10 59.19 4.00 0 7 10 52.39 3.50 1 -7 10 3.70 3.40 1 -7 10 -0.60 2.50 -1 -7 -10 -0.70 1.60 -1 7 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3.40 4.00 8 6 11 1.90 5.00 -8 6 -11 9.70 7.60 8 6 11 -2.20 4.20 -8 6 -11 9.80 4.60 9 -6 11 -1.20 7.00 9 -6 11 4.40 4.30 -9 -6 -11 3.00 5.00 -9 -6 -11 -2.50 4.80 -9 6 -11 -2.30 5.60 -9 6 -11 -2.00 4.90 9 6 11 -0.30 5.70 9 6 11 0.60 4.50 -12 -7 11 6.90 4.70 12 7 -11 7.80 3.70 -12 7 11 -2.20 2.40 12 7 -11 2.90 4.20 -12 7 11 2.70 2.50 -11 -7 11 12.00 4.40 -11 -7 11 11.10 4.30 11 7 -11 8.90 3.40 11 7 -11 6.40 4.00 -11 7 11 9.10 2.00 -11 7 11 16.50 2.30 -10 -7 11 23.40 5.00 -10 -7 11 8.80 4.20 10 7 -11 13.60 3.40 10 7 -11 13.30 4.00 -10 7 11 16.30 1.80 -9 -7 11 2.40 3.40 -9 -7 11 -3.00 3.70 9 7 -11 -1.60 3.40 9 7 -11 -3.30 2.70 -8 -7 11 30.80 4.60 -8 -7 11 38.10 4.80 8 7 -11 38.40 3.70 8 7 -11 45.90 4.60 -7 -7 11 -4.90 3.00 7 7 -11 1.10 2.60 7 7 -11 -0.50 3.10 -6 -7 11 44.40 5.90 -6 -7 11 33.80 4.30 6 7 -11 47.00 5.00 6 7 -11 45.40 5.70 -5 -7 11 0.20 3.30 -5 -7 11 0.60 3.00 5 7 -11 2.20 2.60 5 7 -11 -2.20 3.00 -4 -7 11 9.60 3.60 -4 -7 11 10.20 3.20 -4 7 11 12.10 1.30 4 7 -11 10.80 3.30 4 7 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20 -5.10 4.80 -6 1 20 1.60 3.70 -5 -1 20 7.30 5.50 -5 -1 20 4.60 4.00 -5 1 20 3.80 4.80 -5 1 20 5.30 3.80 -4 -1 20 4.00 4.40 -4 -1 20 6.90 5.80 -4 1 20 19.00 5.30 -4 1 20 9.20 3.90 -3 -1 20 6.20 6.10 -3 -1 20 8.40 5.70 -3 1 20 4.80 5.30 -3 1 20 3.60 3.70 -2 -1 20 9.80 4.20 -2 -1 20 16.10 6.20 -2 1 20 6.20 5.60 -1 -1 20 -4.60 4.40 -1 -1 20 -4.60 6.00 -1 1 20 -1.10 5.80 1 1 -20 -0.90 3.10 -1 1 20 -4.00 3.70 0 -1 -20 -3.40 2.90 0 -1 20 1.40 4.30 0 -1 -20 4.00 3.50 0 -1 20 8.00 6.50 0 1 -20 -6.00 3.50 0 1 20 -5.50 4.10 0 1 -20 5.00 4.30 0 1 20 2.00 6.10 -1 -1 -20 6.40 4.40 1 -1 20 1.70 4.80 -1 -1 -20 3.80 3.80 1 -1 20 4.50 6.90 1 1 20 4.20 7.10 -1 1 -20 -5.30 3.90 1 1 20 -9.70 4.30 -1 1 -20 11.20 5.30 -7 -2 20 -7.40 5.40 -7 -2 20 4.00 4.80 -7 2 20 13.60 4.90 -7 2 20 -0.20 3.60 -6 -2 20 3.30 4.70 -6 -2 20 10.50 5.60 -6 2 20 1.30 7.80 -6 2 20 -1.30 3.60 -5 -2 20 0.50 6.20 -5 -2 20 7.10 5.60 -5 2 20 3.50 4.80 -5 2 20 -1.60 3.60 -4 -2 20 4.10 4.80 -4 -2 20 4.00 5.90 -4 2 20 5.00 4.90 -4 2 20 2.60 3.50 -3 -2 20 0.50 4.30 -3 -2 20 2.20 6.10 -3 2 20 10.00 5.20 -3 2 20 3.00 3.60 -2 -2 20 10.00 6.30 -2 -2 20 17.10 4.70 -2 2 20 20.40 5.80 2 2 -20 8.60 3.10 -2 2 20 8.10 3.90 -1 -2 20 4.70 6.60 -1 -2 20 7.40 4.60 -1 2 20 2.40 5.80 1 2 -20 5.60 4.10 -1 2 20 -2.20 3.70 0 -2 20 5.00 6.90 0 -2 20 -4.10 4.40 0 2 -20 15.50 5.00 0 2 -20 -5.80 3.70 0 2 20 -2.50 4.10 0 2 20 -6.50 6.20 -1 -2 -20 5.40 4.00 1 -2 20 -1.40 4.70 -1 -2 -20 -3.90 3.40 1 -2 20 -5.00 7.20 1 2 20 -5.00 4.30 1 2 20 -4.00 6.20 -1 2 -20 -2.40 4.30 -1 2 -20 18.40 7.60 -6 -3 20 -2.10 5.90 -6 -3 20 13.80 4.70 -6 3 20 1.10 4.40 -6 3 20 6.90 3.40 -5 -3 20 -6.80 5.70 -5 -3 20 -0.20 4.40 -5 3 20 -4.40 3.40 -4 -3 20 10.90 6.30 -4 -3 20 1.60 4.40 -4 3 20 2.30 3.50 -4 3 20 7.00 4.90 -3 -3 20 -11.40 4.30 -3 -3 20 12.40 6.40 3 3 -20 2.10 3.10 -3 3 20 3.10 5.00 3 3 -20 -2.90 2.80 -3 3 20 3.10 3.50 -2 -3 20 1.70 4.30 -2 -3 20 14.20 6.80 -2 3 20 1.40 5.30 -2 3 20 1.50 3.60 2 3 -20 2.70 3.40 -1 -3 20 -1.20 6.80 -1 -3 20 9.50 4.90 -1 3 20 -3.50 4.30 1 3 -20 4.30 4.50 1 3 -20 3.60 3.80 -1 3 20 -5.60 5.60 0 -3 20 0.80 4.80 0 -3 20 9.20 7.10 0 3 -20 13.50 6.30 0 3 20 -3.60 5.90 0 3 -20 -2.20 4.00 0 3 20 -2.90 4.00 -6 -4 20 1.90 6.10 -6 4 20 -0.30 3.20 -6 4 20 2.90 4.30 -5 -4 20 8.90 4.90 -5 -4 20 0.20 6.10 -5 4 20 7.00 3.40 -5 4 20 9.50 4.60 -4 -4 20 11.00 6.40 -4 -4 20 11.50 4.70 -4 4 20 -0.60 3.40 4 4 -20 1.40 3.20 -4 4 20 0.90 5.50 4 4 -20 0.60 2.80 -3 -4 20 4.20 6.70 -3 -4 20 3.00 4.60 3 4 -20 1.30 3.60 3 4 -20 3.80 3.40 -3 4 20 2.70 5.00 -3 4 20 3.60 3.40 -2 -4 20 16.30 7.40 -2 -4 20 6.30 5.10 -2 4 20 3.50 5.30 2 4 -20 0.40 3.70 -2 4 20 7.00 3.70 -1 -4 20 1.60 7.00 -1 -4 20 5.50 5.00 -1 4 20 8.30 5.70 1 4 -20 7.70 4.90 -1 4 20 -4.10 4.30 1 4 -20 -2.10 4.00 0 -4 20 -4.20 5.30 0 -4 20 20.20 7.90 0 4 20 6.50 4.20 0 4 20 24.00 6.20 -5 -5 20 9.10 6.70 -5 5 20 9.20 4.60 5 5 -20 0.60 3.20 5 5 -20 -1.10 3.00 -5 5 20 -0.10 3.10 -4 -5 20 9.60 4.90 -4 -5 20 5.40 6.90 -4 5 20 6.90 3.50 4 5 -20 7.30 3.90 4 5 -20 0.50 3.50 -3 -5 20 -1.20 7.20 -3 -5 20 7.90 5.20 -3 5 20 -2.50 4.80 -3 5 20 -3.20 3.40 3 5 -20 0.40 4.00 3 5 -20 1.50 3.80 -2 -5 20 7.60 5.20 -2 -5 20 22.90 7.50 2 5 -20 8.20 4.20 -2 5 20 3.70 3.70 -2 5 20 7.90 5.20 -1 -5 20 16.70 7.90 1 5 -20 -1.10 4.20 -1 5 20 1.90 5.50 -3 0 21 15.50 6.50 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 15041