CIF_complex4a _audit_creation_method 'SHELXL-2014/7' _shelx_SHELXL_version_number '2014/7' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C93 H94 O6 P4 Ru2 S4' _chemical_formula_weight 1761.94 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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ru' 'Ru' -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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 15 _space_group_name_H-M_alt 'C 2/c' _space_group_name_Hall '-C 2yc' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 25.0763(13) _cell_length_b 12.6879(7) _cell_length_c 26.8084(14) _cell_angle_alpha 90 _cell_angle_beta 109.414(2) _cell_angle_gamma 90 _cell_volume 8044.5(7) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9871 _cell_measurement_theta_min 4.467 _cell_measurement_theta_max 52.968 _exptl_crystal_description plate _exptl_crystal_colour orange _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.455 _exptl_crystal_F_000 3648 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.21 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.09 _exptl_absorpt_coefficient_mu 0.615 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.7014 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_process_details 'Sadabs 2008 (Bruker AXS, 2008)' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed tube' _diffrn_measurement_device_type 'Bruker APEX-CCD' _diffrn_measurement_method omega-scans _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 59370 _diffrn_reflns_av_unetI/netI 0.0316 _diffrn_reflns_av_R_equivalents 0.0496 _diffrn_reflns_limit_h_min -29 _diffrn_reflns_limit_h_max 29 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 1.611 _diffrn_reflns_theta_max 24.996 _diffrn_reflns_theta_full 24.996 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 7089 _reflns_number_gt 6283 _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 'APEX2 ver. 2014.9 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.68A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.68A (Bruker AXS)' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_molecular_graphics 'ShelXLe (Huebschle et all, 2011)' _computing_publication_material 'SHELXL-2014/6 (Sheldrick, 2014)' _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^)+(0.0700P)^2^+35.9907P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 7089 _refine_ls_number_parameters 505 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0486 _refine_ls_R_factor_gt 0.0413 _refine_ls_wR_factor_ref 0.1275 _refine_ls_wR_factor_gt 0.1229 _refine_ls_goodness_of_fit_ref 1.097 _refine_ls_restrained_S_all 1.097 _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 Ru1 Ru 0.82069(2) 1.07575(2) 0.84336(2) 0.01204(11) Uani 1 1 d . . . . . S1 S 0.80632(4) 0.90272(7) 0.79991(4) 0.0132(2) Uani 1 1 d . . . . . S2 S 0.88191(4) 0.99921(8) 0.97210(4) 0.0161(2) Uani 1 1 d . . . . . P1 P 0.85446(4) 0.85361(7) 0.87233(4) 0.0123(2) Uani 1 1 d . . . . . P2 P 0.72617(4) 1.04414(8) 0.84170(4) 0.0121(2) Uani 1 1 d . . . . . O1 O 0.93928(11) 1.0232(2) 0.97668(11) 0.0241(7) Uani 1 1 d . . . . . O2 O 0.85089(12) 1.0801(2) 0.98849(11) 0.0215(6) Uani 1 1 d . . . . . O3 O 0.71947(11) 0.9514(2) 0.87485(10) 0.0152(6) Uani 1 1 d . . . . . C1 C 0.84119(16) 0.9631(3) 0.90788(14) 0.0132(8) Uani 1 1 d . . . . . C2 C 0.92448(16) 0.8241(3) 0.87161(15) 0.0161(8) Uani 1 1 d . . . . . C3 C 0.97416(19) 0.8722(4) 0.9021(2) 0.0410(9) Uani 1 1 d . . . . . H3 H 0.9741 0.9207 0.9290 0.049 Uiso 1 1 calc R U . . . C4 C 1.02421(19) 0.8487(4) 0.8928(2) 0.0410(9) Uani 1 1 d . . . . . H4 H 1.0584 0.8822 0.9132 0.049 Uiso 1 1 calc R U . . . C5 C 1.02478(19) 0.7767(4) 0.8539(2) 0.0403(9) Uani 1 1 d . . . . . H5 H 1.0590 0.7617 0.8475 0.048 Uiso 1 1 calc R U . . . C6 C 0.97530(19) 0.7274(4) 0.8248(2) 0.0403(9) Uani 1 1 d . . . . . H6 H 0.9756 0.6773 0.7986 0.048 Uiso 1 1 calc R U . . . C7 C 0.92520(17) 0.7503(3) 0.83341(16) 0.0203(9) Uani 1 1 d . . . . . H7 H 0.8913 0.7157 0.8133 0.024 Uiso 1 1 calc R U . . . C8 C 0.82875(17) 0.7335(3) 0.89271(15) 0.0168(8) Uani 1 1 d . . . . . C9 C 0.86489(18) 0.6687(3) 0.93065(15) 0.0191(9) Uani 1 1 d . . . . . H9 H 0.9044 0.6818 0.9429 0.023 Uiso 1 1 calc R U . . . C10 C 0.8432(2) 0.5850(3) 0.95064(16) 0.0241(10) Uani 1 1 d . . . . . H10 H 0.8677 0.5414 0.9773 0.029 Uiso 1 1 calc R U . . . C11 C 0.78558(19) 0.5644(3) 0.93179(17) 0.0237(9) Uani 1 1 d . . . . . H11 H 0.7707 0.5064 0.9453 0.028 Uiso 1 1 calc R U . . . C12 C 0.74985(18) 0.6283(3) 0.89344(17) 0.0220(9) Uani 1 1 d . . . . . H12 H 0.7105 0.6130 0.8801 0.026 Uiso 1 1 calc R U . . . C13 C 0.77074(16) 0.7142(3) 0.87437(16) 0.0178(8) Uani 1 1 d . . . . . H13 H 0.7459 0.7597 0.8490 0.021 Uiso 1 1 calc R U . . . C14 C 0.88375(19) 0.8885(3) 1.01271(15) 0.0221(9) Uani 1 1 d . . . . . C15 C 0.8335(2) 0.8471(4) 1.01418(19) 0.0345(11) Uani 1 1 d . . . . . H15 H 0.7982 0.8753 0.9928 0.041 Uiso 1 1 calc R U . . . C16 C 0.8361(3) 0.7618(4) 1.0483(2) 0.0479(15) Uani 1 1 d . . . . . H16 H 0.8024 0.7297 1.0498 0.057 Uiso 1 1 calc R U . . . C17 C 0.8886(3) 0.7251(4) 1.0798(2) 0.0556(18) Uani 1 1 d . . . . . H17 H 0.8904 0.6681 1.1033 0.067 Uiso 1 1 calc R U . . . C18 C 0.9378(3) 0.7686(5) 1.0780(2) 0.0530(16) Uani 1 1 d . . . . . H18 H 0.9731 0.7421 1.1002 0.064 Uiso 1 1 calc R U . . . C19 C 0.9361(2) 0.8508(4) 1.04412(18) 0.0364(12) Uani 1 1 d . . . . . H19 H 0.9700 0.8811 1.0422 0.044 Uiso 1 1 calc R U . . . C20 C 0.8239(2) 1.2991(4) 0.91566(19) 0.0335(11) Uani 1 1 d . . . . . H20A H 0.8459 1.3645 0.9241 0.050 Uiso 1 1 calc R U . . . H20B H 0.8328 1.2552 0.9474 0.050 Uiso 1 1 calc R U . . . H20C H 0.7835 1.3160 0.9030 0.050 Uiso 1 1 calc R U . . . C21 C 0.83851(18) 1.2411(3) 0.87389(17) 0.0217(9) Uani 1 1 d . . . . . C22 C 0.88973(17) 1.1829(3) 0.88611(16) 0.0195(9) Uani 1 1 d . . . . . H22 H 0.9113 1.1676 0.9241 0.023 Uiso 1 1 calc R U . . . C23 C 0.90757(16) 1.1342(3) 0.84671(16) 0.0174(8) Uani 1 1 d . . . . . H23 H 0.9405 1.0849 0.8572 0.021 Uiso 1 1 calc R U . . . C24 C 0.87218(16) 1.1393(3) 0.79350(16) 0.0167(8) Uani 1 1 d . . . . . C25 C 0.88886(18) 1.0925(3) 0.74907(17) 0.0216(9) Uani 1 1 d . . . . . H25 H 0.8547 1.0569 0.7244 0.026 Uiso 1 1 calc R U . . . C26 C 0.93534(18) 1.0109(3) 0.76646(18) 0.0268(10) Uani 1 1 d . . . . . H26A H 0.9422 0.9815 0.7353 0.040 Uiso 1 1 calc R U . . . H26B H 0.9239 0.9544 0.7857 0.040 Uiso 1 1 calc R U . . . H26C H 0.9700 1.0440 0.7897 0.040 Uiso 1 1 calc R U . . . C27 C 0.9047(2) 1.1825(4) 0.71834(19) 0.0353(12) Uani 1 1 d . . . . . H27A H 0.9127 1.1535 0.6877 0.053 Uiso 1 1 calc R U . . . H27B H 0.9384 1.2188 0.7414 0.053 Uiso 1 1 calc R U . . . H27C H 0.8733 1.2325 0.7063 0.053 Uiso 1 1 calc R U . . . C28 C 0.81992(17) 1.1944(3) 0.78068(16) 0.0193(9) Uani 1 1 d . . . . . H28 H 0.7916 1.1868 0.7444 0.023 Uiso 1 1 calc R U . . . C29 C 0.80380(19) 1.2436(3) 0.82025(18) 0.0234(9) Uani 1 1 d . . . . . H29 H 0.7643 1.2708 0.8112 0.028 Uiso 1 1 calc R U . . . C30 C 0.69586(16) 1.1640(3) 0.86018(15) 0.0152(8) Uani 1 1 d . . . . . C31 C 0.69443(16) 1.1828(3) 0.91142(15) 0.0182(8) Uani 1 1 d . . . . . C32 C 0.70954(18) 1.1027(4) 0.95486(16) 0.0228(9) Uani 1 1 d . . . . . H32A H 0.6856 1.0403 0.9433 0.034 Uiso 1 1 calc R U . . . H32B H 0.7036 1.1327 0.9863 0.034 Uiso 1 1 calc R U . . . H32C H 0.7493 1.0826 0.9634 0.034 Uiso 1 1 calc R U . . . C33 C 0.67774(17) 1.2832(3) 0.92252(17) 0.0231(9) Uani 1 1 d . . . . . H33 H 0.6769 1.2969 0.9571 0.028 Uiso 1 1 calc R U . . . C34 C 0.66256(18) 1.3627(3) 0.88542(19) 0.0266(10) Uani 1 1 d . . . . . C35 C 0.66149(18) 1.3420(3) 0.83420(19) 0.0262(10) Uani 1 1 d . . . . . H35 H 0.6500 1.3949 0.8077 0.031 Uiso 1 1 calc R U . . . C36 C 0.67738(17) 1.2435(3) 0.82237(16) 0.0192(9) Uani 1 1 d . . . . . H36 H 0.6757 1.2293 0.7871 0.023 Uiso 1 1 calc R U . . . C37 C 0.67678(15) 1.0229(3) 0.77376(15) 0.0139(8) Uani 1 1 d . . . . . C38 C 0.62005(16) 0.9928(3) 0.76466(16) 0.0190(8) Uani 1 1 d . . . . . C39 C 0.59405(18) 0.9909(4) 0.80804(17) 0.0256(10) Uani 1 1 d . . . . . H39A H 0.5837 1.0627 0.8147 0.038 Uiso 1 1 calc R U . . . H39B H 0.6214 0.9623 0.8404 0.038 Uiso 1 1 calc R U . . . H39C H 0.5602 0.9464 0.7972 0.038 Uiso 1 1 calc R U . . . C40 C 0.58648(17) 0.9661(3) 0.71393(17) 0.0237(9) Uani 1 1 d . . . . . H40 H 0.5485 0.9449 0.7079 0.028 Uiso 1 1 calc R U . . . C41 C 0.60652(18) 0.9693(3) 0.67158(17) 0.0229(9) Uani 1 1 d . . . . . H41 H 0.5828 0.9499 0.6371 0.027 Uiso 1 1 calc R U . . . C42 C 0.66143(17) 1.0012(3) 0.68016(15) 0.0197(9) Uani 1 1 d . . . . . H42 H 0.6757 1.0050 0.6515 0.024 Uiso 1 1 calc R U . . . C43 C 0.69547(16) 1.0276(3) 0.73064(15) 0.0145(8) Uani 1 1 d . . . . . H43 H 0.7331 1.0499 0.7360 0.017 Uiso 1 1 calc R U . . . C1_2 C 0.9972(3) 0.4945(5) 0.9878(2) 0.051(5) Uani 0.5 1 d G . P . . C2_2 C 0.9942(4) 0.5523(4) 1.0313(3) 0.048(4) Uani 0.5 1 d G . P . . H2_2 H 1.0101 0.6320 1.0375 0.058 Uiso 0.5 1 d G U P . . C3_2 C 0.9704(3) 0.5069(6) 1.0666(2) 0.047(3) Uani 0.5 1 d G . P . . H3_2 H 0.9681 0.5515 1.1001 0.056 Uiso 0.5 1 d G U P . . C4_2 C 0.9497(3) 0.4036(6) 1.0585(2) 0.051(3) Uani 0.5 1 d G . P . . H4_2 H 0.9314 0.3685 1.0858 0.061 Uiso 0.5 1 d G U P . . C5_2 C 0.9527(3) 0.3457(4) 1.0151(3) 0.053(3) Uani 0.5 1 d G . P . . H5_2 H 0.9368 0.2660 1.0088 0.064 Uiso 0.5 1 d G U P . . C6_2 C 0.9765(3) 0.3912(5) 0.9797(2) 0.043(3) Uani 0.5 1 d G . P . . H6_2 H 0.9788 0.3466 0.9462 0.051 Uiso 0.5 1 d G U P . . C7_2 C 1.0229(4) 0.5438(8) 0.9494(3) 0.056(4) Uani 0.5 1 d G . P . . H7A_2 H 1.0366 0.6239 0.9621 0.067 Uiso 0.5 1 d G U P . . H7B_2 H 1.0592 0.4973 0.9487 0.067 Uiso 0.5 1 d G U P . . H7C_2 H 0.9915 0.5457 0.9099 0.067 Uiso 0.5 1 d G U P . . H1_1 H 0.807(2) 0.945(4) 0.9102(18) 0.026(12) Uiso 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.01312(18) 0.01047(18) 0.01290(18) -0.00081(11) 0.00482(13) -0.00019(11) S1 0.0134(5) 0.0128(5) 0.0121(5) -0.0013(4) 0.0026(4) 0.0002(4) S2 0.0140(5) 0.0193(5) 0.0130(5) -0.0044(4) 0.0019(4) 0.0015(4) P1 0.0112(5) 0.0114(5) 0.0129(5) -0.0013(4) 0.0021(4) 0.0003(4) P2 0.0126(5) 0.0121(5) 0.0117(5) 0.0011(4) 0.0041(4) 0.0019(4) O1 0.0136(14) 0.0329(17) 0.0239(16) -0.0109(13) 0.0038(12) -0.0027(12) O2 0.0221(15) 0.0223(15) 0.0189(15) -0.0049(12) 0.0051(12) 0.0045(12) O3 0.0142(13) 0.0151(13) 0.0164(14) 0.0032(11) 0.0052(11) 0.0030(11) C1 0.0132(19) 0.0126(19) 0.0123(19) -0.0034(15) 0.0022(16) -0.0008(15) C2 0.0115(18) 0.0152(19) 0.020(2) 0.0002(16) 0.0029(16) 0.0053(15) C3 0.0157(16) 0.050(2) 0.054(2) -0.0342(19) 0.0067(16) -0.0044(15) C4 0.0157(16) 0.050(2) 0.054(2) -0.0342(19) 0.0067(16) -0.0044(15) C5 0.0188(16) 0.048(2) 0.052(2) -0.0289(19) 0.0088(16) 0.0034(15) C6 0.0188(16) 0.048(2) 0.052(2) -0.0289(19) 0.0088(16) 0.0034(15) C7 0.014(2) 0.020(2) 0.023(2) -0.0038(17) 0.0017(17) 0.0002(16) C8 0.022(2) 0.0126(19) 0.0145(19) -0.0049(15) 0.0049(17) -0.0010(16) C9 0.022(2) 0.016(2) 0.015(2) -0.0034(16) 0.0007(17) 0.0001(16) C10 0.038(3) 0.017(2) 0.013(2) -0.0015(16) 0.0037(19) 0.0033(18) C11 0.039(3) 0.014(2) 0.024(2) 0.0019(17) 0.018(2) 0.0006(18) C12 0.024(2) 0.018(2) 0.028(2) -0.0040(18) 0.0137(19) -0.0008(17) C13 0.0152(19) 0.017(2) 0.020(2) -0.0007(16) 0.0046(17) 0.0027(16) C14 0.033(2) 0.021(2) 0.0120(19) 0.0006(17) 0.0069(18) 0.0049(18) C15 0.053(3) 0.030(3) 0.031(3) 0.000(2) 0.028(2) 0.004(2) C16 0.089(5) 0.031(3) 0.045(3) -0.002(2) 0.050(3) -0.007(3) C17 0.114(6) 0.030(3) 0.021(3) 0.010(2) 0.021(3) 0.022(3) C18 0.072(4) 0.041(3) 0.030(3) 0.005(2) -0.004(3) 0.008(3) C19 0.041(3) 0.033(3) 0.024(2) -0.003(2) -0.003(2) 0.009(2) C20 0.055(3) 0.017(2) 0.042(3) -0.008(2) 0.033(3) -0.008(2) C21 0.033(2) 0.0090(19) 0.031(2) -0.0049(17) 0.021(2) -0.0077(17) C22 0.026(2) 0.016(2) 0.015(2) -0.0013(16) 0.0041(17) -0.0091(17) C23 0.0129(19) 0.0142(19) 0.024(2) -0.0006(16) 0.0042(17) -0.0058(15) C24 0.019(2) 0.0112(19) 0.021(2) -0.0014(16) 0.0073(17) -0.0039(15) C25 0.026(2) 0.020(2) 0.023(2) -0.0026(17) 0.0135(19) -0.0051(17) C26 0.023(2) 0.029(2) 0.036(3) -0.009(2) 0.019(2) -0.0054(19) C27 0.050(3) 0.033(3) 0.034(3) -0.005(2) 0.029(2) -0.011(2) C28 0.021(2) 0.018(2) 0.019(2) 0.0012(16) 0.0068(17) -0.0059(17) C29 0.026(2) 0.014(2) 0.035(3) 0.0041(18) 0.017(2) -0.0035(17) C30 0.0135(19) 0.0153(19) 0.017(2) -0.0006(16) 0.0062(16) -0.0008(15) C31 0.0139(19) 0.024(2) 0.018(2) -0.0023(17) 0.0064(16) -0.0026(16) C32 0.023(2) 0.032(2) 0.016(2) 0.0003(18) 0.0097(18) 0.0005(18) C33 0.018(2) 0.028(2) 0.027(2) -0.0111(19) 0.0113(18) -0.0046(17) C34 0.019(2) 0.020(2) 0.044(3) -0.004(2) 0.015(2) 0.0027(17) C35 0.023(2) 0.020(2) 0.039(3) 0.0069(19) 0.016(2) 0.0054(18) C36 0.021(2) 0.017(2) 0.020(2) 0.0014(16) 0.0083(17) 0.0034(16) C37 0.0132(19) 0.0102(18) 0.0163(19) 0.0016(15) 0.0023(16) 0.0029(15) C38 0.017(2) 0.017(2) 0.023(2) 0.0041(17) 0.0065(17) 0.0032(16) C39 0.016(2) 0.032(2) 0.032(2) 0.001(2) 0.0110(19) -0.0039(18) C40 0.013(2) 0.025(2) 0.029(2) 0.0026(19) 0.0011(18) -0.0006(17) C41 0.022(2) 0.020(2) 0.018(2) -0.0006(17) -0.0045(17) 0.0014(17) C42 0.026(2) 0.016(2) 0.015(2) 0.0005(16) 0.0035(17) 0.0067(17) C43 0.0126(18) 0.0138(19) 0.0167(19) 0.0040(15) 0.0043(16) 0.0023(15) C1_2 0.017(5) 0.067(9) 0.052(15) 0.025(10) -0.013(7) 0.008(5) C2_2 0.028(7) 0.045(8) 0.055(9) -0.004(6) -0.007(6) 0.010(6) C3_2 0.045(7) 0.040(7) 0.035(7) -0.001(6) -0.013(5) 0.014(6) C4_2 0.046(7) 0.039(7) 0.049(7) 0.018(6) -0.011(6) 0.009(5) C5_2 0.060(8) 0.046(7) 0.035(6) 0.017(5) -0.009(6) -0.005(6) C6_2 0.025(5) 0.040(6) 0.044(6) 0.000(5) -0.014(5) 0.002(5) C7_2 0.047(8) 0.066(10) 0.042(8) 0.021(7) -0.001(6) 0.012(8) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C1 2.170(4) . ? Ru1 C22 2.200(4) . ? Ru1 C29 2.219(4) . ? Ru1 C21 2.242(4) . ? Ru1 C28 2.251(4) . ? Ru1 C23 2.275(4) . ? Ru1 C24 2.292(4) . ? Ru1 P2 2.3897(10) . ? Ru1 S1 2.4552(10) . ? S1 P1 2.0141(13) . ? S2 O1 1.435(3) . ? S2 O2 1.441(3) . ? S2 C1 1.746(4) . ? S2 C14 1.769(4) . ? P1 C1 1.777(4) . ? P1 C2 1.802(4) . ? P1 C8 1.808(4) . ? P2 O3 1.517(3) . ? P2 C30 1.840(4) . ? P2 C37 1.851(4) . ? C2 C3 1.383(6) . ? C2 C7 1.393(6) . ? C3 C4 1.391(6) . ? C4 C5 1.388(6) . ? C5 C6 1.377(7) . ? C6 C7 1.381(6) . ? C8 C9 1.385(6) . ? C8 C13 1.394(6) . ? C9 C10 1.380(6) . ? C10 C11 1.388(6) . ? C11 C12 1.380(6) . ? C12 C13 1.379(6) . ? C14 C15 1.379(7) . ? C14 C19 1.388(6) . ? C15 C16 1.405(7) . ? C16 C17 1.386(9) . ? C17 C18 1.367(9) . ? C18 C19 1.375(8) . ? C20 C21 1.483(6) . ? C21 C29 1.412(6) . ? C21 C22 1.422(6) . ? C22 C23 1.418(6) . ? C23 C24 1.409(6) . ? C24 C28 1.423(6) . ? C24 C25 1.509(5) . ? C25 C26 1.512(6) . ? C25 C27 1.536(6) . ? C28 C29 1.401(6) . ? C30 C36 1.396(5) . ? C30 C31 1.406(5) . ? C31 C33 1.403(6) . ? C31 C32 1.496(6) . ? C33 C34 1.378(6) . ? C34 C35 1.389(6) . ? C35 C36 1.381(6) . ? C37 C43 1.385(5) . ? C37 C38 1.414(5) . ? C38 C40 1.382(6) . ? C38 C39 1.511(6) . ? C40 C41 1.387(6) . ? C41 C42 1.379(6) . ? C42 C43 1.380(5) . ? C1_2 C1_2 0.637(12) 5_767 ? C1_2 C2_2 0.857(13) 5_767 ? C1_2 C2_2 1.4000 . ? C1_2 C6_2 1.4000 . ? C1_2 C7_2 1.5199 . ? C1_2 C6_2 1.708(12) 5_767 ? C1_2 C3_2 1.891(12) 5_767 ? C1_2 C7_2 1.972(12) 5_767 ? C2_2 C1_2 0.857(12) 5_767 ? C2_2 C6_2 1.134(14) 5_767 ? C2_2 C3_2 1.4001 . ? C2_2 C7_2 1.445(13) 5_767 ? C3_2 C7_2 0.821(12) 5_767 ? C3_2 C4_2 1.4000 . ? C3_2 C1_2 1.891(12) 5_767 ? C4_2 C7_2 1.028(13) 5_767 ? C4_2 C5_2 1.3999 . ? C5_2 C6_2 1.4000 . ? C5_2 C7_2 1.690(12) 5_767 ? C6_2 C2_2 1.134(14) 5_767 ? C6_2 C1_2 1.708(11) 5_767 ? C7_2 C3_2 0.82(2) 5_767 ? C7_2 C4_2 1.028(14) 5_767 ? C7_2 C2_2 1.445(15) 5_767 ? C7_2 C5_2 1.69(2) 5_767 ? C7_2 C1_2 1.972(12) 5_767 ? 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 C1 Ru1 C22 93.15(14) . . ? C1 Ru1 C29 145.84(15) . . ? C22 Ru1 C29 66.21(16) . . ? C1 Ru1 C21 111.09(15) . . ? C22 Ru1 C21 37.33(16) . . ? C29 Ru1 C21 36.90(16) . . ? C1 Ru1 C28 167.55(15) . . ? C22 Ru1 C28 77.63(15) . . ? C29 Ru1 C28 36.52(15) . . ? C21 Ru1 C28 66.30(15) . . ? C1 Ru1 C23 102.33(15) . . ? C22 Ru1 C23 36.91(15) . . ? C29 Ru1 C23 77.84(15) . . ? C21 Ru1 C23 66.94(15) . . ? C28 Ru1 C23 65.28(14) . . ? C1 Ru1 C24 131.81(14) . . ? C22 Ru1 C24 65.67(14) . . ? C29 Ru1 C24 65.90(14) . . ? C21 Ru1 C24 78.52(14) . . ? C28 Ru1 C24 36.49(14) . . ? C23 Ru1 C24 35.94(14) . . ? C1 Ru1 P2 82.82(11) . . ? C22 Ru1 P2 135.84(11) . . ? C29 Ru1 P2 93.43(11) . . ? C21 Ru1 P2 103.88(11) . . ? C28 Ru1 P2 109.62(11) . . ? C23 Ru1 P2 170.55(10) . . ? C24 Ru1 P2 142.73(10) . . ? C1 Ru1 S1 75.38(10) . . ? C22 Ru1 S1 139.97(11) . . ? C29 Ru1 S1 137.85(12) . . ? C21 Ru1 S1 171.84(10) . . ? C28 Ru1 S1 106.28(11) . . ? C23 Ru1 S1 107.34(10) . . ? C24 Ru1 S1 93.46(10) . . ? P2 Ru1 S1 81.53(3) . . ? P1 S1 Ru1 82.69(4) . . ? O1 S2 O2 116.75(18) . . ? O1 S2 C1 112.41(18) . . ? O2 S2 C1 106.82(18) . . ? O1 S2 C14 107.2(2) . . ? O2 S2 C14 106.50(19) . . ? C1 S2 C14 106.58(19) . . ? C1 P1 C2 121.66(19) . . ? C1 P1 C8 110.34(18) . . ? C2 P1 C8 105.95(18) . . ? C1 P1 S1 96.67(13) . . ? C2 P1 S1 109.14(13) . . ? C8 P1 S1 113.10(13) . . ? O3 P2 C30 110.31(16) . . ? O3 P2 C37 107.17(16) . . ? C30 P2 C37 100.62(17) . . ? O3 P2 Ru1 114.94(11) . . ? C30 P2 Ru1 110.62(13) . . ? C37 P2 Ru1 112.21(12) . . ? S2 C1 P1 125.6(2) . . ? S2 C1 Ru1 121.3(2) . . ? P1 C1 Ru1 97.15(17) . . ? C3 C2 C7 120.1(4) . . ? C3 C2 P1 126.3(3) . . ? C7 C2 P1 113.5(3) . . ? C2 C3 C4 119.3(4) . . ? C5 C4 C3 120.7(4) . . ? C6 C5 C4 119.4(4) . . ? C5 C6 C7 120.6(4) . . ? C6 C7 C2 119.9(4) . . ? C9 C8 C13 120.4(4) . . ? C9 C8 P1 120.7(3) . . ? C13 C8 P1 118.5(3) . . ? C10 C9 C8 119.7(4) . . ? C9 C10 C11 120.0(4) . . ? C12 C11 C10 120.0(4) . . ? C13 C12 C11 120.5(4) . . ? C12 C13 C8 119.3(4) . . ? C15 C14 C19 122.8(4) . . ? C15 C14 S2 118.9(3) . . ? C19 C14 S2 118.2(4) . . ? C14 C15 C16 117.8(5) . . ? C17 C16 C15 119.0(6) . . ? C18 C17 C16 121.9(5) . . ? C17 C18 C19 120.0(6) . . ? C18 C19 C14 118.5(5) . . ? C29 C21 C22 116.7(4) . . ? C29 C21 C20 122.3(4) . . ? C22 C21 C20 120.9(4) . . ? C29 C21 Ru1 70.7(2) . . ? C22 C21 Ru1 69.7(2) . . ? C20 C21 Ru1 132.1(3) . . ? C23 C22 C21 122.6(4) . . ? C23 C22 Ru1 74.4(2) . . ? C21 C22 Ru1 72.9(2) . . ? C24 C23 C22 119.1(4) . . ? C24 C23 Ru1 72.7(2) . . ? C22 C23 Ru1 68.7(2) . . ? C23 C24 C28 119.1(4) . . ? C23 C24 C25 122.3(4) . . ? C28 C24 C25 118.5(4) . . ? C23 C24 Ru1 71.4(2) . . ? C28 C24 Ru1 70.2(2) . . ? C25 C24 Ru1 132.8(3) . . ? C24 C25 C26 114.4(4) . . ? C24 C25 C27 108.7(3) . . ? C26 C25 C27 111.3(4) . . ? C29 C28 C24 120.7(4) . . ? C29 C28 Ru1 70.5(2) . . ? C24 C28 Ru1 73.3(2) . . ? C28 C29 C21 121.7(4) . . ? C28 C29 Ru1 73.0(2) . . ? C21 C29 Ru1 72.4(2) . . ? C36 C30 C31 118.5(4) . . ? C36 C30 P2 118.0(3) . . ? C31 C30 P2 123.4(3) . . ? C33 C31 C30 117.8(4) . . ? C33 C31 C32 117.9(4) . . ? C30 C31 C32 124.3(4) . . ? C34 C33 C31 122.8(4) . . ? C33 C34 C35 119.0(4) . . ? C36 C35 C34 119.1(4) . . ? C35 C36 C30 122.6(4) . . ? C43 C37 C38 117.9(3) . . ? C43 C37 P2 120.9(3) . . ? C38 C37 P2 121.0(3) . . ? C40 C38 C37 119.0(4) . . ? C40 C38 C39 118.4(4) . . ? C37 C38 C39 122.6(4) . . ? C38 C40 C41 122.0(4) . . ? C42 C41 C40 119.0(4) . . ? C41 C42 C43 119.5(4) . . ? C42 C43 C37 122.5(4) . . ? C1_2 C1_2 C2_2 139(2) 5_767 5_767 ? C1_2 C1_2 C2_2 23.9(12) 5_767 . ? C2_2 C1_2 C2_2 162.5(10) 5_767 . ? C1_2 C1_2 C6_2 108.0(10) 5_767 . ? C2_2 C1_2 C6_2 54.1(9) 5_767 . ? C2_2 C1_2 C6_2 120.0 . . ? C1_2 C1_2 C7_2 127.2(10) 5_767 . ? C2_2 C1_2 C7_2 68.5(9) 5_767 . ? C2_2 C1_2 C7_2 120.0 . . ? C6_2 C1_2 C7_2 120.0 . . ? C1_2 C1_2 C6_2 51.2(10) 5_767 5_767 ? C2_2 C1_2 C6_2 139.5(12) 5_767 5_767 ? C2_2 C1_2 C6_2 41.3(6) . 5_767 ? C6_2 C1_2 C6_2 159.2(6) . 5_767 ? C7_2 C1_2 C6_2 79.4(6) . 5_767 ? C1_2 C1_2 C3_2 142.0(15) 5_767 5_767 ? C2_2 C1_2 C3_2 43.5(6) 5_767 5_767 ? C2_2 C1_2 C3_2 143.4(7) . 5_767 ? C6_2 C1_2 C3_2 96.0(7) . 5_767 ? C7_2 C1_2 C3_2 25.0(7) . 5_767 ? C6_2 C1_2 C3_2 102.0(6) 5_767 5_767 ? C1_2 C1_2 C7_2 37.9(9) 5_767 5_767 ? C2_2 C1_2 C7_2 121.7(10) 5_767 5_767 ? C2_2 C1_2 C7_2 47.1(4) . 5_767 ? C6_2 C1_2 C7_2 73.4(4) . 5_767 ? C7_2 C1_2 C7_2 165.1(4) . 5_767 ? C6_2 C1_2 C7_2 86.5(5) 5_767 5_767 ? C3_2 C1_2 C7_2 162.5(8) 5_767 5_767 ? C1_2 C2_2 C6_2 88.2(12) 5_767 5_767 ? C1_2 C2_2 C1_2 17.5(9) 5_767 . ? C6_2 C2_2 C1_2 84.0(9) 5_767 . ? C1_2 C2_2 C3_2 111.5(8) 5_767 . ? C6_2 C2_2 C3_2 153.4(9) 5_767 . ? C1_2 C2_2 C3_2 120.0 . . ? C1_2 C2_2 C7_2 78.0(7) 5_767 5_767 ? C6_2 C2_2 C7_2 157.2(15) 5_767 5_767 ? C1_2 C2_2 C7_2 87.7(4) . 5_767 ? C3_2 C2_2 C7_2 33.5(5) . 5_767 ? C7_2 C3_2 C4_2 46.7(9) 5_767 . ? C7_2 C3_2 C2_2 76.3(9) 5_767 . ? C4_2 C3_2 C2_2 120.0 . . ? C7_2 C3_2 C1_2 51.3(8) 5_767 5_767 ? C4_2 C3_2 C1_2 96.0(3) . 5_767 ? C2_2 C3_2 C1_2 24.9(3) . 5_767 ? C7_2 C4_2 C5_2 86.8(6) 5_767 . ? C7_2 C4_2 C3_2 35.5(6) 5_767 . ? C5_2 C4_2 C3_2 120.0 . . ? C4_2 C5_2 C6_2 120.0 . . ? C4_2 C5_2 C7_2 37.4(4) . 5_767 ? C6_2 C5_2 C7_2 83.4(4) . 5_767 ? C2_2 C6_2 C1_2 37.7(6) 5_767 . ? C2_2 C6_2 C5_2 153.4(6) 5_767 . ? C1_2 C6_2 C5_2 120.0 . . ? C2_2 C6_2 C1_2 54.6(5) 5_767 5_767 ? C1_2 C6_2 C1_2 20.8(4) . 5_767 ? C5_2 C6_2 C1_2 100.6(4) . 5_767 ? C3_2 C7_2 C4_2 97.8(14) 5_767 5_767 ? C3_2 C7_2 C2_2 70.2(12) 5_767 5_767 ? C4_2 C7_2 C2_2 157(2) 5_767 5_767 ? C3_2 C7_2 C1_2 103.7(11) 5_767 . ? C4_2 C7_2 C1_2 150.5(14) 5_767 . ? C2_2 C7_2 C1_2 33.5(5) 5_767 . ? C3_2 C7_2 C5_2 147.9(18) 5_767 5_767 ? C4_2 C7_2 C5_2 55.8(9) 5_767 5_767 ? C2_2 C7_2 C5_2 126.3(11) 5_767 5_767 ? C1_2 C7_2 C5_2 96.6(7) . 5_767 ? C3_2 C7_2 C1_2 114.0(13) 5_767 5_767 ? C4_2 C7_2 C1_2 135.6(16) 5_767 5_767 ? C2_2 C7_2 C1_2 45.2(3) 5_767 5_767 ? C1_2 C7_2 C1_2 14.9(3) . 5_767 ? C5_2 C7_2 C1_2 82.6(8) 5_767 5_767 ? _refine_diff_density_max 0.779 _refine_diff_density_min -0.793 _refine_diff_density_rms 0.082 _shelx_res_file ; platon.res created by SHELXL-2014/7 TITL sad in C2/c New: C2/c CELL 0.71073 25.0763 12.6879 26.8084 90.000 109.414 90.000 ZERR 4 0.0013 0.0007 0.0014 0.000 0.002 0.000 LATT 7 SYMM - X , Y, 0.50000 - Z SFAC C O P Ru S H UNIT 372 24 16 8 16 376 L.S. 5 FMAP 2 PLAN 20 temp -173 omit -3 50 omit 10 2 6 omit -16 6 5 ACTA EADP C3 C4 EADP C5 C6 WGHT 0.070000 35.990719 FVAR 0.04114 RU1 4 0.820694 1.075750 0.843364 11.00000 0.01312 0.01047 = 0.01290 -0.00081 0.00482 -0.00019 S1 5 0.806319 0.902716 0.799910 11.00000 0.01344 0.01277 = 0.01206 -0.00135 0.00265 0.00019 S2 5 0.881914 0.999210 0.972102 11.00000 0.01404 0.01928 = 0.01298 -0.00437 0.00193 0.00145 P1 3 0.854456 0.853612 0.872330 11.00000 0.01123 0.01145 = 0.01287 -0.00133 0.00210 0.00031 P2 3 0.726172 1.044137 0.841699 11.00000 0.01263 0.01211 = 0.01173 0.00110 0.00415 0.00189 O1 2 0.939280 1.023225 0.976682 11.00000 0.01359 0.03290 = 0.02392 -0.01088 0.00381 -0.00270 O2 2 0.850887 1.080052 0.988487 11.00000 0.02207 0.02226 = 0.01892 -0.00490 0.00510 0.00452 O3 2 0.719467 0.951408 0.874850 11.00000 0.01421 0.01511 = 0.01635 0.00320 0.00518 0.00300 C1 1 0.841187 0.963071 0.907879 11.00000 0.01322 0.01263 = 0.01226 -0.00336 0.00223 -0.00076 C2 1 0.924485 0.824128 0.871611 11.00000 0.01155 0.01521 = 0.01980 0.00021 0.00294 0.00528 C3 1 0.974164 0.872171 0.902056 11.00000 0.01573 0.04988 = 0.05374 -0.03420 0.00670 -0.00435 AFIX 43 H3 6 0.974092 0.920688 0.929025 11.00000 -1.20000 AFIX 0 C4 1 1.024206 0.848679 0.892758 11.00000 0.01573 0.04988 = 0.05374 -0.03420 0.00670 -0.00435 AFIX 43 H4 6 1.058356 0.882202 0.913193 11.00000 -1.20000 AFIX 0 C5 1 1.024775 0.776738 0.853916 11.00000 0.01883 0.04752 = 0.05240 -0.02890 0.00884 0.00343 AFIX 43 H5 6 1.059018 0.761652 0.847469 11.00000 -1.20000 AFIX 0 C6 1 0.975295 0.727437 0.824816 11.00000 0.01883 0.04752 = 0.05240 -0.02890 0.00884 0.00343 AFIX 43 H6 6 0.975618 0.677283 0.798606 11.00000 -1.20000 AFIX 0 C7 1 0.925197 0.750283 0.833408 11.00000 0.01448 0.01950 = 0.02346 -0.00379 0.00169 0.00018 AFIX 43 H7 6 0.891273 0.715669 0.813285 11.00000 -1.20000 AFIX 0 C8 1 0.828754 0.733494 0.892708 11.00000 0.02242 0.01258 = 0.01446 -0.00488 0.00490 -0.00102 C9 1 0.864889 0.668700 0.930650 11.00000 0.02207 0.01605 = 0.01519 -0.00336 0.00069 0.00011 AFIX 43 H9 6 0.904434 0.681842 0.942864 11.00000 -1.20000 AFIX 0 C10 1 0.843210 0.584970 0.950640 11.00000 0.03836 0.01721 = 0.01294 -0.00148 0.00365 0.00330 AFIX 43 H10 6 0.867735 0.541394 0.977299 11.00000 -1.20000 AFIX 0 C11 1 0.785579 0.564435 0.931793 11.00000 0.03900 0.01356 = 0.02415 0.00190 0.01787 0.00063 AFIX 43 H11 6 0.770719 0.506365 0.945300 11.00000 -1.20000 AFIX 0 C12 1 0.749847 0.628324 0.893444 11.00000 0.02392 0.01803 = 0.02794 -0.00402 0.01371 -0.00083 AFIX 43 H12 6 0.710548 0.613024 0.880084 11.00000 -1.20000 AFIX 0 C13 1 0.770739 0.714177 0.874369 11.00000 0.01519 0.01725 = 0.01991 -0.00068 0.00463 0.00272 AFIX 43 H13 6 0.745869 0.759669 0.849006 11.00000 -1.20000 AFIX 0 C14 1 0.883748 0.888472 1.012707 11.00000 0.03301 0.02099 = 0.01196 0.00056 0.00686 0.00489 C15 1 0.833455 0.847094 1.014175 11.00000 0.05288 0.03017 = 0.03090 -0.00034 0.02809 0.00429 AFIX 43 H15 6 0.798173 0.875331 0.992798 11.00000 -1.20000 AFIX 0 C16 1 0.836108 0.761782 1.048332 11.00000 0.08864 0.03080 = 0.04483 -0.00230 0.04990 -0.00678 AFIX 43 H16 6 0.802441 0.729713 1.049833 11.00000 -1.20000 AFIX 0 C17 1 0.888569 0.725096 1.079807 11.00000 0.11389 0.03045 = 0.02134 0.01011 0.02095 0.02205 AFIX 43 H17 6 0.890381 0.668070 1.103278 11.00000 -1.20000 AFIX 0 C18 1 0.937789 0.768645 1.078038 11.00000 0.07244 0.04081 = 0.02966 0.00530 -0.00449 0.00810 AFIX 43 H18 6 0.973140 0.742134 1.100240 11.00000 -1.20000 AFIX 0 C19 1 0.936091 0.850806 1.044115 11.00000 0.04135 0.03343 = 0.02389 -0.00327 -0.00334 0.00906 AFIX 43 H19 6 0.970003 0.881126 1.042218 11.00000 -1.20000 AFIX 0 C20 1 0.823947 1.299104 0.915658 11.00000 0.05491 0.01686 = 0.04159 -0.00776 0.03317 -0.00846 AFIX 137 H20A 6 0.845948 1.364468 0.924101 11.00000 -1.50000 H20B 6 0.832764 1.255189 0.947448 11.00000 -1.50000 H20C 6 0.783511 1.315978 0.903018 11.00000 -1.50000 AFIX 0 C21 1 0.838505 1.241093 0.873889 11.00000 0.03320 0.00900 = 0.03062 -0.00486 0.02090 -0.00773 C22 1 0.889728 1.182887 0.886113 11.00000 0.02609 0.01585 = 0.01469 -0.00130 0.00414 -0.00910 AFIX 13 H22 6 0.911287 1.167636 0.924083 11.00000 -1.20000 AFIX 0 C23 1 0.907571 1.134241 0.846712 11.00000 0.01292 0.01423 = 0.02350 -0.00057 0.00416 -0.00579 AFIX 13 H23 6 0.940544 1.084907 0.857248 11.00000 -1.20000 AFIX 0 C24 1 0.872184 1.139323 0.793505 11.00000 0.01853 0.01118 = 0.02087 -0.00143 0.00727 -0.00386 C25 1 0.888857 1.092520 0.749069 11.00000 0.02616 0.01962 = 0.02291 -0.00261 0.01348 -0.00507 AFIX 13 H25 6 0.854659 1.056948 0.724372 11.00000 -1.20000 AFIX 0 C26 1 0.935337 1.010914 0.766464 11.00000 0.02296 0.02863 = 0.03592 -0.00936 0.01938 -0.00544 AFIX 137 H26A 6 0.942183 0.981504 0.735334 11.00000 -1.50000 H26B 6 0.923908 0.954360 0.785675 11.00000 -1.50000 H26C 6 0.970043 1.043993 0.789655 11.00000 -1.50000 AFIX 0 C27 1 0.904744 1.182474 0.718344 11.00000 0.05048 0.03270 = 0.03387 -0.00535 0.02875 -0.01072 AFIX 137 H27A 6 0.912724 1.153535 0.687672 11.00000 -1.50000 H27B 6 0.938385 1.218826 0.741434 11.00000 -1.50000 H27C 6 0.873262 1.232472 0.706318 11.00000 -1.50000 AFIX 0 C28 1 0.819917 1.194408 0.780683 11.00000 0.02129 0.01795 = 0.01878 0.00121 0.00683 -0.00590 AFIX 13 H28 6 0.791557 1.186808 0.744433 11.00000 -1.20000 AFIX 0 C29 1 0.803799 1.243604 0.820253 11.00000 0.02634 0.01391 = 0.03478 0.00405 0.01673 -0.00352 AFIX 13 H29 6 0.764285 1.270828 0.811166 11.00000 -1.20000 AFIX 0 C30 1 0.695859 1.163990 0.860179 11.00000 0.01350 0.01535 = 0.01741 -0.00056 0.00618 -0.00080 C31 1 0.694431 1.182759 0.911421 11.00000 0.01391 0.02366 = 0.01788 -0.00231 0.00644 -0.00265 C32 1 0.709540 1.102690 0.954863 11.00000 0.02338 0.03175 = 0.01578 0.00026 0.00971 0.00047 AFIX 137 H32A 6 0.685590 1.040253 0.943335 11.00000 -1.50000 H32B 6 0.703605 1.132743 0.986283 11.00000 -1.50000 H32C 6 0.749321 1.082630 0.963424 11.00000 -1.50000 AFIX 0 C33 1 0.677743 1.283151 0.922516 11.00000 0.01757 0.02818 = 0.02661 -0.01111 0.01127 -0.00459 AFIX 43 H33 6 0.676871 1.296909 0.957070 11.00000 -1.20000 AFIX 0 C34 1 0.662561 1.362665 0.885419 11.00000 0.01934 0.01969 = 0.04388 -0.00450 0.01477 0.00268 C35 1 0.661485 1.342012 0.834205 11.00000 0.02326 0.01995 = 0.03933 0.00686 0.01570 0.00538 AFIX 43 H35 6 0.649976 1.394928 0.807703 11.00000 -1.20000 AFIX 0 C36 1 0.677380 1.243491 0.822365 11.00000 0.02118 0.01746 = 0.01998 0.00138 0.00833 0.00336 AFIX 43 H36 6 0.675670 1.229256 0.787076 11.00000 -1.20000 AFIX 0 C37 1 0.676784 1.022867 0.773759 11.00000 0.01321 0.01020 = 0.01631 0.00163 0.00228 0.00289 C38 1 0.620046 0.992754 0.764663 11.00000 0.01671 0.01684 = 0.02328 0.00405 0.00652 0.00321 C39 1 0.594053 0.990908 0.808041 11.00000 0.01564 0.03172 = 0.03177 0.00114 0.01102 -0.00389 AFIX 137 H39A 6 0.583686 1.062740 0.814661 11.00000 -1.50000 H39B 6 0.621434 0.962346 0.840431 11.00000 -1.50000 H39C 6 0.560175 0.946440 0.797174 11.00000 -1.50000 AFIX 0 C40 1 0.586481 0.966116 0.713933 11.00000 0.01270 0.02493 = 0.02923 0.00256 0.00114 -0.00064 AFIX 43 H40 6 0.548513 0.944940 0.707904 11.00000 -1.20000 AFIX 0 C41 1 0.606519 0.969349 0.671577 11.00000 0.02182 0.02010 = 0.01833 -0.00061 -0.00449 0.00141 AFIX 43 H41 6 0.582765 0.949877 0.637142 11.00000 -1.20000 AFIX 0 C42 1 0.661428 1.001240 0.680162 11.00000 0.02564 0.01616 = 0.01499 0.00051 0.00347 0.00671 AFIX 43 H42 6 0.675712 1.005024 0.651532 11.00000 -1.20000 AFIX 0 C43 1 0.695465 1.027611 0.730638 11.00000 0.01259 0.01378 = 0.01672 0.00396 0.00434 0.00230 AFIX 43 H43 6 0.733142 1.049866 0.736028 11.00000 -1.20000 AFIX 6 RESI 2 C1 1 0.997177 0.494491 0.987804 10.50000 0.01664 0.06652 = 0.05167 0.02506 -0.01322 0.00812 C2 1 0.994155 0.552341 1.031253 10.50000 0.02816 0.04481 = 0.05549 -0.00398 -0.00741 0.00990 H2 6 1.010129 0.632039 1.037496 10.50000 -1.20000 C3 1 0.970424 0.506886 1.066610 10.50000 0.04529 0.03968 = 0.03514 -0.00112 -0.01296 0.01378 H3 6 0.968094 0.551511 1.100127 10.50000 -1.20000 C4 1 0.949717 0.403574 1.058512 10.50000 0.04595 0.03887 = 0.04859 0.01802 -0.01123 0.00912 H4 6 0.931412 0.368507 1.085791 10.50000 -1.20000 C5 1 0.952737 0.345722 1.015066 10.50000 0.06032 0.04582 = 0.03508 0.01668 -0.00899 -0.00463 H5 6 0.936765 0.266027 1.008820 10.50000 -1.20000 C6 1 0.976467 0.391179 0.979710 10.50000 0.02504 0.03970 = 0.04434 -0.00013 -0.01397 0.00215 H6 6 0.978799 0.346552 0.946193 10.50000 -1.20000 C7 1 1.022939 0.543847 0.949421 10.50000 0.04731 0.06586 = 0.04180 0.02101 -0.00088 0.01211 H7A 6 1.036592 0.623944 0.962090 10.50000 -1.20000 H7B 6 1.059203 0.497279 0.948712 10.50000 -1.20000 H7C 6 0.991490 0.545707 0.909930 10.50000 -1.20000 AFIX 0 RESI 0 RESI 1 H1 6 0.806807 0.945439 0.910197 11.00000 0.02566 RESI 0 HKLF 4 REM sad in C2/c New: C2/c REM R1 = 0.0413 for 6283 Fo > 4sig(Fo) and 0.0486 for all 7089 data REM 505 parameters refined using 0 restraints END WGHT 0.0098 51.0775 REM Highest difference peak 0.779, deepest hole -0.793, 1-sigma level 0.082 Q1 1 0.6484 1.4295 0.8953 11.00000 0.05 0.76 Q2 1 1.0311 0.7332 0.8731 11.00000 0.05 0.51 Q3 1 1.0185 0.8008 0.9071 11.00000 0.05 0.48 Q4 1 0.8502 0.7173 1.0717 11.00000 0.05 0.43 Q5 1 0.8030 0.7521 1.0329 11.00000 0.05 0.40 Q6 1 0.8836 0.9364 0.9904 11.00000 0.05 0.39 Q7 1 0.7791 1.3044 0.8155 11.00000 0.05 0.39 Q8 1 0.9988 0.5777 0.9346 11.00000 0.05 0.34 Q9 1 0.6814 1.3401 0.9044 11.00000 0.05 0.33 Q10 1 0.8409 0.9662 0.8283 11.00000 0.05 0.32 Q11 1 0.8623 0.9040 0.9028 11.00000 0.05 0.32 Q12 1 0.8274 1.2724 0.8427 11.00000 0.05 0.32 Q13 1 0.8012 0.7237 0.8861 11.00000 0.05 0.32 Q14 1 0.8467 0.8024 1.0514 11.00000 0.05 0.31 Q15 1 0.9583 1.1217 0.9852 11.00000 0.05 0.31 Q16 1 0.9001 0.7370 1.0681 11.00000 0.05 0.31 Q17 1 0.6274 1.0232 0.6723 11.00000 0.05 0.31 Q18 1 0.8192 0.8507 0.8287 11.00000 0.05 0.31 Q19 1 1.0225 0.8248 0.8441 11.00000 0.05 0.29 Q20 1 1.0179 0.7823 0.8279 11.00000 0.05 0.29 ; _shelx_res_checksum 88834 _shelx_hkl_file ; 2 0 0 472.66 13.09 2 0 0 459.27 12.10 2 0 0 457.68 12.62 2 0 0 465.29 12.93 -2 0 0 472.03 12.34 -2 0 0 445.28 12.92 -4 0 0 398.01 11.33 -4 0 0 403.85 10.48 -4 0 0 391.20 10.96 -4 0 0 393.27 10.77 -4 0 0 382.77 11.62 4 0 0 404.16 11.01 4 0 0 400.21 11.63 4 0 0 385.14 10.74 4 0 0 384.30 10.47 4 0 0 395.67 11.32 6 0 0 497.82 14.69 -6 0 0 495.26 13.13 -6 0 0 477.29 13.73 -6 0 0 490.89 13.52 6 0 0 501.03 13.83 6 0 0 483.89 14.22 6 0 0 483.94 13.62 6 0 0 490.46 13.50 -6 0 0 518.35 14.79 -6 0 0 482.64 14.23 6 0 0 485.40 13.10 8 0 0 314.78 9.11 8 0 0 323.76 9.34 -8 0 0 310.07 9.12 -8 0 0 325.83 8.75 8 0 0 307.41 8.69 8 0 0 324.90 9.09 8 0 0 324.78 10.22 -8 0 0 320.44 9.71 -8 0 0 308.50 10.28 8 0 0 301.03 9.63 -8 0 0 314.33 9.21 10 0 0 24.31 1.58 10 0 0 30.75 2.10 -10 0 0 26.45 2.09 -10 0 0 27.90 1.28 -10 0 0 24.60 1.39 10 0 0 25.26 1.61 10 0 0 28.14 1.51 10 0 0 24.77 1.20 -10 0 0 25.17 1.62 -10 0 0 25.73 1.50 10 0 0 25.18 1.34 -12 0 0 32.43 1.53 -12 0 0 26.34 1.84 -12 0 0 32.35 2.54 12 0 0 32.38 1.47 12 0 0 30.44 1.61 12 0 0 30.17 1.91 12 0 0 28.66 2.33 -12 0 0 32.79 1.72 -12 0 0 29.17 1.74 12 0 0 32.60 1.96 -14 0 0 98.32 3.52 -14 0 0 103.24 3.97 14 0 0 97.32 3.39 14 0 0 101.06 4.26 -14 0 0 100.07 3.79 -14 0 0 101.21 4.30 -14 0 0 91.88 5.01 14 0 0 100.23 4.83 14 0 0 98.87 3.72 -16 0 0 17.68 1.74 16 0 0 16.09 2.19 16 0 0 18.42 1.20 -16 0 0 16.36 1.53 16 0 0 20.96 1.51 -18 0 0 8.22 1.15 -18 0 0 7.96 1.31 18 0 0 6.69 0.91 18 0 0 5.47 1.00 20 0 0 65.51 3.21 -20 0 0 65.96 3.08 20 0 0 61.38 2.73 22 0 0 5.98 1.03 -22 0 0 5.02 1.11 22 0 0 4.62 1.06 24 0 0 37.74 2.17 -24 0 0 33.85 2.32 24 0 0 32.35 2.43 -26 0 0 0.41 0.89 26 0 0 1.95 1.02 26 0 0 1.22 0.85 -28 0 0 3.90 1.21 28 0 0 2.77 1.21 -1 -1 0 133.90 3.68 1 -1 0 133.12 4.22 1 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0.99 5 1 0 24.26 1.09 5 1 0 22.19 1.00 5 1 0 23.25 0.91 -5 1 0 23.70 0.98 7 -1 0 84.15 3.75 7 -1 0 87.94 2.86 7 -1 0 87.91 3.41 -7 -1 0 87.54 2.97 -7 -1 0 87.89 2.70 -7 -1 0 83.92 3.01 -7 -1 0 88.16 2.88 7 -1 0 83.33 2.73 7 -1 0 85.89 3.03 -7 -1 0 84.52 3.37 7 -1 0 86.58 2.92 7 1 0 87.00 3.02 7 1 0 86.40 2.64 7 1 0 83.43 2.97 7 1 0 89.92 2.98 -7 1 0 86.17 2.80 -7 1 0 88.15 2.78 -7 1 0 84.79 3.37 -7 1 0 88.93 3.01 7 1 0 84.37 2.81 7 1 0 85.70 3.39 -7 1 0 82.65 2.92 -9 -1 0 302.46 9.24 9 -1 0 304.66 8.80 9 -1 0 306.31 8.82 -9 -1 0 301.35 8.44 9 -1 0 306.19 10.24 -9 -1 0 296.46 9.76 9 -1 0 294.25 9.62 9 -1 0 308.91 9.09 9 -1 0 294.03 8.46 -9 -1 0 300.17 8.68 -9 -1 0 291.59 8.84 9 1 0 293.41 9.18 -9 1 0 296.35 8.95 9 1 0 300.04 9.76 9 1 0 302.46 9.04 -9 1 0 309.47 9.68 9 1 0 306.26 8.55 -9 1 0 306.19 8.51 -9 1 0 312.36 8.90 9 1 0 295.85 8.83 9 1 0 307.48 8.36 -11 -1 0 63.97 2.81 -11 -1 0 69.78 3.50 -11 -1 0 71.33 2.56 11 -1 0 71.98 3.30 -11 -1 0 68.51 2.96 11 -1 0 67.09 2.53 11 -1 0 72.27 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0.66 8 -2 0 4.02 0.59 8 -2 0 4.86 0.88 -8 -2 0 4.51 0.72 8 -2 0 3.57 0.56 8 2 0 5.28 0.66 -8 2 0 5.03 0.59 8 2 0 3.60 0.40 -8 2 0 4.12 0.70 8 2 0 4.05 0.65 8 2 0 4.55 0.82 8 2 0 4.32 0.48 -8 2 0 2.88 0.55 8 2 0 3.76 0.65 -8 2 0 3.79 0.56 -8 2 0 4.29 1.11 -8 2 0 4.81 0.85 8 2 0 4.36 0.57 -10 -2 0 19.58 1.47 10 -2 0 19.85 1.26 10 -2 0 20.60 1.17 -10 -2 0 22.42 1.31 10 -2 0 22.82 1.26 -10 -2 0 17.71 1.18 10 -2 0 19.41 2.23 10 -2 0 19.89 1.65 10 2 0 19.77 1.24 -10 2 0 19.07 1.87 10 2 0 20.70 1.37 10 2 0 20.80 0.95 10 2 0 19.00 1.21 -10 2 0 20.96 1.19 -10 2 0 19.52 2.30 10 2 0 17.89 1.55 -10 2 0 20.52 1.15 -10 2 0 17.73 1.33 10 2 0 20.47 1.02 -10 2 0 19.72 1.30 -12 -2 0 9.43 1.04 12 -2 0 10.06 1.01 -12 -2 0 11.54 1.43 12 -2 0 9.38 1.68 12 -2 0 13.57 1.21 -12 -2 0 11.18 1.17 12 -2 0 11.26 1.54 12 2 0 10.45 0.73 -12 2 0 11.12 1.21 -12 2 0 10.29 1.49 -12 2 0 11.04 0.90 12 2 0 9.69 0.77 12 2 0 10.52 1.11 12 2 0 10.73 1.50 12 2 0 10.21 1.06 -12 2 0 12.24 1.26 -14 -2 0 1.95 0.57 -14 -2 0 1.68 0.83 -14 -2 0 1.06 0.54 14 -2 0 2.06 0.55 14 -2 0 3.24 0.76 14 -2 0 2.94 0.90 14 -2 0 1.65 1.20 14 2 0 2.13 0.61 14 2 0 3.09 0.70 -14 2 0 2.54 0.90 -14 2 0 1.54 0.64 14 2 0 2.15 1.02 -14 2 0 -0.31 0.88 -14 2 0 0.78 0.53 14 2 0 2.55 0.48 14 2 0 2.25 0.49 -16 -2 0 11.92 1.31 16 -2 0 12.39 1.24 16 2 0 9.21 1.24 16 2 0 11.57 1.71 -16 2 0 9.74 1.24 16 2 0 11.86 0.91 16 2 0 10.38 0.99 -16 2 0 7.11 1.18 -18 -2 0 31.94 2.01 18 -2 0 36.86 1.94 18 2 0 33.00 2.13 -18 2 0 39.40 2.42 18 2 0 31.88 1.69 -18 2 0 40.84 2.23 -20 -2 0 9.02 1.33 20 -2 0 10.51 1.31 20 -2 0 9.91 1.42 20 2 0 8.24 1.32 -20 2 0 8.38 1.46 -20 2 0 7.96 1.24 20 2 0 9.22 1.05 22 -2 0 8.44 1.43 22 -2 0 10.04 1.35 -22 -2 0 8.94 1.33 22 2 0 7.99 1.37 -22 2 0 7.95 1.48 22 2 0 8.07 1.10 24 -2 0 0.25 0.68 24 -2 0 0.73 0.72 -24 -2 0 1.20 0.86 24 -2 0 1.55 0.78 -24 2 0 2.06 0.92 24 2 0 0.28 0.72 24 2 0 1.28 0.72 26 -2 0 3.52 1.17 -26 -2 0 1.07 0.87 26 -2 0 1.56 0.85 26 -2 0 0.53 0.87 -26 2 0 1.58 1.09 26 2 0 -0.19 0.71 28 -2 0 0.15 0.84 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21.32 1.69 17 3 0 30.44 2.78 17 3 0 23.60 1.36 17 3 0 23.98 1.72 19 -3 0 1.30 0.60 -19 -3 0 0.69 0.71 -19 3 0 1.38 0.76 19 3 0 0.37 0.61 19 3 0 1.79 0.53 -19 3 0 -0.54 0.62 -21 -3 0 2.15 0.84 21 -3 0 3.79 0.95 21 -3 0 4.79 1.02 -21 3 0 2.65 1.00 21 3 0 2.99 0.70 21 3 0 5.78 1.14 -21 3 0 3.17 0.99 23 -3 0 1.70 0.78 23 -3 0 0.83 0.86 23 -3 0 1.55 0.88 -23 -3 0 -0.01 0.70 -23 3 0 -0.72 0.70 23 3 0 2.10 0.68 -23 3 0 1.86 0.93 23 3 0 2.50 1.01 -25 -3 0 2.57 1.09 25 -3 0 3.47 1.03 25 -3 0 2.74 1.16 25 -3 0 3.73 1.09 -25 3 0 5.38 1.49 25 3 0 1.78 0.94 27 -3 0 0.40 0.88 -27 -3 0 2.26 1.13 27 -3 0 1.22 0.94 27 -3 0 2.57 1.06 27 3 0 1.55 0.99 0 -4 0 35.51 1.47 0 -4 0 35.89 1.98 0 -4 0 36.86 1.47 0 -4 0 37.51 1.28 0 -4 0 37.08 2.21 0 4 0 36.00 1.48 0 4 0 36.52 1.29 0 4 0 42.20 2.36 0 4 0 38.32 2.05 0 4 0 37.52 1.48 0 4 0 38.53 1.50 0 4 0 38.84 1.83 0 4 0 37.18 1.31 -2 -4 0 11.81 0.66 2 -4 0 13.93 0.66 2 -4 0 13.67 0.64 2 -4 0 12.11 0.99 2 -4 0 12.57 0.82 -2 -4 0 12.03 1.03 -2 -4 0 12.79 0.83 2 -4 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0.44 -14 -4 0 0.96 0.65 14 -4 0 2.79 1.20 14 -4 0 1.78 0.91 -14 -4 0 1.59 0.53 -14 -4 0 2.84 0.74 14 -4 0 1.76 0.57 14 -4 0 1.01 0.51 -14 4 0 1.96 0.75 14 4 0 1.62 0.49 -14 4 0 0.35 0.47 14 4 0 2.24 0.45 -14 4 0 0.91 0.58 14 4 0 0.60 0.79 14 4 0 1.72 0.60 -14 4 0 1.46 0.87 16 -4 0 0.29 0.54 16 -4 0 0.61 0.54 -16 -4 0 -0.43 0.38 16 4 0 -0.30 0.37 16 4 0 0.85 0.92 -16 4 0 -0.01 0.47 16 4 0 1.12 0.48 16 4 0 0.42 0.52 -16 4 0 0.74 0.59 -16 4 0 -0.04 0.67 18 -4 0 54.32 2.70 18 -4 0 53.87 2.66 -18 -4 0 54.12 2.73 -18 4 0 48.92 2.91 18 4 0 50.81 2.03 18 4 0 44.90 2.58 18 4 0 50.79 2.18 -18 4 0 54.39 2.82 20 -4 0 26.15 1.91 20 -4 0 21.47 2.01 -20 -4 0 25.43 1.91 -20 4 0 24.64 1.99 -20 4 0 25.04 2.48 20 4 0 24.53 1.47 20 4 0 27.71 2.04 22 -4 0 3.61 0.95 22 -4 0 3.06 0.84 -22 -4 0 2.71 1.00 -22 4 0 3.79 1.14 22 4 0 1.83 0.96 -22 4 0 3.94 1.06 22 4 0 3.43 0.75 24 -4 0 4.80 1.11 24 -4 0 3.21 0.96 -24 -4 0 5.97 1.22 24 -4 0 2.50 0.96 -24 4 0 4.02 1.46 24 4 0 2.44 1.02 -24 4 0 4.66 1.15 26 -4 0 2.31 1.05 -26 -4 0 2.82 1.14 26 -4 0 3.02 1.19 26 -4 0 4.18 1.28 26 4 0 2.81 1.15 -26 4 0 3.97 1.55 28 -4 0 1.34 1.16 28 -4 0 4.55 1.35 28 -4 0 3.98 1.32 -28 -4 0 4.65 1.37 28 4 0 5.94 1.51 1 -5 0 33.76 1.52 -1 -5 0 33.41 1.46 -1 -5 0 37.43 2.32 1 -5 0 34.15 1.28 1 -5 0 38.87 2.23 1 -5 0 36.25 1.58 1 -5 0 33.00 2.34 -1 -5 0 34.96 1.31 1 5 0 34.10 1.56 1 5 0 29.07 2.19 -1 5 0 35.86 1.60 -1 5 0 34.86 1.29 -1 5 0 34.82 2.18 1 5 0 37.01 1.56 1 5 0 31.75 1.99 -1 5 0 33.83 2.43 -1 5 0 35.01 1.90 -1 5 0 35.37 1.55 1 5 0 37.06 1.53 -1 5 0 36.06 1.55 1 5 0 33.46 2.08 1 5 0 35.03 1.31 1 5 0 33.19 1.86 -1 5 0 35.74 1.32 -3 -5 0 225.81 6.28 3 -5 0 220.84 7.89 -3 -5 0 234.45 6.77 -3 -5 0 213.42 7.62 3 -5 0 215.65 6.66 3 -5 0 221.80 7.10 -3 -5 0 218.01 6.34 3 -5 0 228.30 6.19 3 -5 0 245.26 8.62 -3 -5 0 225.59 7.50 3 -5 0 228.13 6.20 3 -5 0 217.87 6.56 3 5 0 223.55 6.26 3 5 0 232.89 6.38 3 5 0 228.29 6.49 3 5 0 221.62 7.82 -3 5 0 227.11 8.65 3 5 0 221.10 7.57 3 5 0 232.92 6.78 -3 5 0 229.16 6.69 -3 5 0 213.71 7.15 -3 5 0 231.64 6.63 -3 5 0 221.26 6.22 -3 5 0 229.76 8.02 5 -5 0 136.60 4.06 5 -5 0 138.57 4.82 -5 -5 0 137.12 4.14 -5 -5 0 136.17 4.56 -5 -5 0 140.08 5.05 -5 -5 0 137.42 4.98 5 -5 0 143.24 5.67 5 -5 0 141.25 4.54 5 -5 0 132.24 4.44 5 -5 0 140.97 6.18 -5 -5 0 142.71 4.22 5 -5 0 138.39 4.10 5 5 0 139.40 4.20 -5 5 0 137.34 5.66 -5 5 0 142.78 6.37 5 5 0 141.67 4.13 5 5 0 135.59 5.06 -5 5 0 143.85 4.90 5 5 0 136.34 4.19 5 5 0 132.60 5.17 -7 -5 0 1.44 0.51 -7 -5 0 2.49 0.44 -7 -5 0 2.23 0.55 7 -5 0 1.95 1.08 7 -5 0 1.32 0.64 -7 -5 0 1.71 0.54 7 -5 0 1.98 0.48 7 -5 0 3.09 0.95 -7 -5 0 1.70 0.54 -7 -5 0 1.86 0.57 7 -5 0 2.11 0.58 7 -5 0 1.92 0.55 -7 5 0 1.62 1.04 7 5 0 3.42 0.78 -7 5 0 2.33 0.50 7 5 0 1.73 0.45 -7 5 0 2.28 0.62 7 5 0 2.87 0.46 -7 5 0 1.61 0.85 7 5 0 2.87 0.70 -9 -5 0 3.23 0.63 9 -5 0 2.93 0.66 9 -5 0 4.16 0.70 -9 -5 0 2.92 0.66 -9 -5 0 3.46 0.48 9 -5 0 5.51 1.45 -9 -5 0 2.78 0.68 9 -5 0 3.09 0.83 9 -5 0 4.21 0.74 9 -5 0 2.12 0.86 -9 5 0 2.55 1.25 9 5 0 2.92 0.68 -9 5 0 3.83 0.77 9 5 0 3.73 0.81 -9 5 0 4.31 1.16 9 5 0 3.65 0.51 -9 5 0 2.72 0.61 9 5 0 3.40 0.62 11 -5 0 73.53 3.00 -11 -5 0 76.90 3.00 11 -5 0 75.34 4.12 -11 -5 0 74.44 2.50 11 -5 0 67.85 4.63 -11 -5 0 72.29 3.10 11 -5 0 78.04 3.08 11 -5 0 67.65 3.12 -11 -5 0 75.59 3.09 -11 5 0 73.36 2.98 11 5 0 68.05 2.82 11 5 0 72.54 3.11 -11 5 0 75.31 4.21 -11 5 0 74.20 3.04 11 5 0 73.54 3.39 -11 5 0 78.02 5.02 11 5 0 72.12 2.43 -13 -5 0 20.62 1.51 13 -5 0 21.84 1.51 -13 -5 0 21.44 1.45 13 -5 0 19.91 2.51 13 -5 0 23.07 3.11 13 -5 0 22.50 1.53 -13 -5 0 20.89 1.53 -13 5 0 19.05 1.54 13 5 0 22.93 1.94 -13 5 0 21.07 1.48 13 5 0 21.64 1.11 13 5 0 23.19 1.30 13 5 0 22.00 1.47 -13 5 0 22.02 1.77 -13 5 0 23.65 2.70 -15 -5 0 10.56 1.25 -15 -5 0 8.17 1.16 15 -5 0 6.10 1.01 15 -5 0 7.82 1.13 -15 5 0 6.21 1.10 -15 5 0 5.48 1.13 15 5 0 8.42 1.44 15 5 0 7.47 1.10 -15 5 0 8.10 1.93 15 5 0 9.56 0.97 -15 5 0 10.40 1.17 15 5 0 8.77 0.84 -17 -5 0 3.41 0.87 17 -5 0 3.91 0.89 17 -5 0 0.91 0.70 -17 5 0 4.34 1.11 17 5 0 1.85 0.59 17 5 0 4.09 0.64 -17 5 0 2.47 0.71 17 5 0 3.72 0.96 -17 5 0 2.23 0.83 -19 -5 0 35.08 2.31 19 -5 0 33.70 2.17 19 -5 0 34.90 2.25 19 5 0 36.53 1.77 -19 5 0 34.30 2.40 19 5 0 32.57 2.21 -19 5 0 34.82 2.04 -19 5 0 34.83 2.42 21 -5 0 26.50 2.09 21 -5 0 27.93 2.08 -21 -5 0 26.29 2.05 21 5 0 26.84 1.58 -21 5 0 24.23 2.31 -21 5 0 29.65 2.34 21 5 0 28.58 2.15 23 -5 0 7.96 1.41 -23 -5 0 4.77 1.24 23 -5 0 5.16 1.26 23 5 0 6.85 1.38 -23 5 0 4.34 1.27 -23 5 0 4.37 1.19 25 -5 0 13.57 1.96 25 -5 0 13.35 1.84 -25 -5 0 9.02 1.66 25 -5 0 7.24 1.52 -25 5 0 10.47 1.86 25 5 0 11.68 1.82 27 -5 0 2.83 1.26 -27 -5 0 3.46 1.19 27 -5 0 2.82 1.08 27 -5 0 2.15 1.13 -27 5 0 2.62 1.52 27 5 0 3.54 1.27 0 -6 0 20.38 1.21 0 -6 0 16.35 1.10 0 -6 0 20.57 0.98 0 -6 0 16.60 1.96 0 -6 0 17.57 1.80 0 6 0 21.24 1.60 0 6 0 20.80 1.01 0 6 0 16.64 1.81 0 6 0 22.75 1.00 0 6 0 19.41 2.26 0 6 0 20.23 1.22 0 6 0 22.31 1.28 2 -6 0 125.62 5.27 -2 -6 0 137.51 5.37 2 -6 0 123.43 4.20 -2 -6 0 119.68 4.99 -2 -6 0 124.87 3.99 2 -6 0 131.12 3.76 -2 -6 0 123.88 3.80 2 -6 0 128.75 4.17 2 -6 0 117.86 5.62 -2 6 0 128.43 3.79 2 6 0 126.69 4.03 2 6 0 122.26 4.74 2 6 0 131.88 5.24 -2 6 0 137.03 5.50 2 6 0 125.46 3.80 -2 6 0 122.41 4.74 2 6 0 130.90 4.13 2 6 0 128.67 5.51 -2 6 0 128.75 3.77 -2 6 0 130.12 4.17 -2 6 0 115.57 5.77 -4 -6 0 39.50 2.32 -4 -6 0 43.25 1.69 -4 -6 0 41.11 2.49 4 -6 0 41.90 3.10 4 -6 0 39.96 2.13 -4 -6 0 38.89 1.91 4 -6 0 39.44 1.55 4 -6 0 38.91 2.62 4 -6 0 41.17 1.94 -4 -6 0 41.25 1.71 4 -6 0 42.80 1.95 4 -6 0 41.28 1.60 4 6 0 41.02 1.75 4 6 0 39.29 1.63 -4 6 0 39.94 2.70 -4 6 0 40.59 1.62 4 6 0 42.76 1.73 4 6 0 41.31 2.59 4 6 0 43.19 2.48 -4 6 0 41.45 3.26 -4 6 0 39.30 2.19 -6 -6 0 122.90 3.92 -6 -6 0 121.55 3.85 6 -6 0 119.82 4.27 -6 -6 0 121.29 4.77 -6 -6 0 121.02 4.70 6 -6 0 121.53 4.22 6 -6 0 120.77 5.48 6 -6 0 122.02 3.79 6 -6 0 122.36 3.77 6 -6 0 126.28 4.61 6 -6 0 126.04 6.12 -6 -6 0 120.57 4.28 6 6 0 126.03 5.07 6 6 0 121.82 3.90 6 6 0 126.18 3.92 -6 6 0 120.97 4.61 6 6 0 119.81 4.83 -6 6 0 124.60 5.60 -6 6 0 110.26 6.10 6 6 0 130.65 3.87 -6 6 0 124.47 4.01 8 -6 0 144.82 5.08 -8 -6 0 143.61 5.41 8 -6 0 152.34 7.20 -8 -6 0 154.15 5.46 -8 -6 0 147.33 4.55 -8 -6 0 149.58 5.15 8 -6 0 151.72 5.42 8 -6 0 149.77 4.64 8 -6 0 151.40 5.07 8 -6 0 139.48 6.35 8 6 0 157.91 4.57 8 6 0 153.90 5.76 8 6 0 151.27 5.69 -8 6 0 159.34 4.95 -8 6 0 153.79 7.42 8 6 0 153.60 4.78 -8 6 0 152.44 5.42 -8 6 0 151.85 6.59 -10 -6 0 7.22 1.05 10 -6 0 10.57 1.19 10 -6 0 11.54 1.27 -10 -6 0 8.52 1.11 -10 -6 0 7.61 1.00 10 -6 0 6.94 1.55 10 -6 0 11.08 2.13 -10 -6 0 8.33 0.80 -10 -6 0 9.14 1.12 10 6 0 8.20 0.97 -10 6 0 12.75 2.52 10 6 0 8.44 1.22 -10 6 0 10.19 1.14 10 6 0 8.87 1.28 -10 6 0 8.88 1.16 -10 6 0 12.15 1.97 10 6 0 8.63 0.82 12 -6 0 22.90 1.61 -12 -6 0 24.34 1.66 12 -6 0 23.31 1.63 -12 -6 0 22.41 1.18 -12 -6 0 22.39 1.65 12 -6 0 26.09 3.29 12 -6 0 18.45 2.47 -12 6 0 26.51 2.95 12 6 0 21.26 1.45 -12 6 0 21.89 1.61 12 6 0 23.72 1.20 12 6 0 24.90 1.99 -12 6 0 24.89 1.57 14 -6 0 40.51 2.28 14 -6 0 39.75 3.28 14 -6 0 43.04 2.35 -14 -6 0 44.20 2.44 14 6 0 42.10 1.97 -14 6 0 41.84 2.62 14 6 0 44.83 2.76 -14 6 0 42.12 2.29 -14 6 0 44.10 2.42 14 6 0 39.46 2.16 14 6 0 45.42 1.78 -14 6 0 37.78 3.77 -16 -6 0 9.98 1.36 16 -6 0 7.74 1.19 16 -6 0 7.40 1.17 16 6 0 10.08 0.94 16 6 0 5.72 1.04 -16 6 0 8.08 1.40 -16 6 0 7.07 1.08 16 6 0 8.15 0.97 -16 6 0 7.92 1.25 -18 -6 0 0.15 0.58 18 -6 0 -0.02 0.58 18 -6 0 0.17 0.62 18 6 0 -0.07 0.51 -18 6 0 0.53 0.82 -18 6 0 1.23 0.67 -18 6 0 -0.04 0.75 18 6 0 -0.17 0.51 20 -6 0 14.84 1.75 -20 -6 0 14.09 1.78 20 -6 0 14.15 1.71 -20 6 0 13.64 1.51 20 6 0 14.62 1.18 -20 6 0 14.39 1.90 20 6 0 15.68 1.76 -20 6 0 14.78 1.91 22 -6 0 26.08 2.45 -22 -6 0 27.51 2.20 22 -6 0 24.69 2.37 -22 6 0 29.12 2.83 22 6 0 32.17 2.29 -22 6 0 25.99 2.18 -24 -6 0 1.92 0.99 24 -6 0 6.14 1.32 24 -6 0 5.64 1.27 -24 6 0 4.27 1.34 24 6 0 3.27 1.10 26 -6 0 5.23 1.36 26 -6 0 6.31 1.54 -26 -6 0 5.71 1.40 26 -6 0 4.69 1.38 26 6 0 6.36 1.48 -26 6 0 2.90 1.31 1 -7 0 3.27 0.63 1 -7 0 3.24 0.96 1 -7 0 3.21 0.48 -1 -7 0 2.15 0.44 -1 -7 0 2.20 0.53 1 -7 0 2.55 0.63 1 -7 0 1.73 0.82 -1 -7 0 2.48 0.95 -1 7 0 3.33 0.50 -1 7 0 2.41 0.79 -1 7 0 2.32 1.09 -1 7 0 2.72 0.49 1 7 0 2.58 0.45 -1 7 0 2.18 0.89 1 7 0 2.22 0.84 1 7 0 1.84 0.80 1 7 0 2.99 1.09 1 7 0 2.08 0.87 1 7 0 1.89 0.43 -3 -7 0 39.13 2.52 3 -7 0 39.14 1.98 3 -7 0 39.22 3.13 -3 -7 0 40.26 1.67 3 -7 0 37.89 1.93 3 -7 0 39.79 1.60 -3 -7 0 44.19 2.81 -3 -7 0 41.35 2.01 -3 -7 0 39.93 1.80 3 -7 0 38.26 2.71 3 7 0 40.74 1.65 -3 7 0 40.10 2.35 3 7 0 40.28 2.88 -3 7 0 41.01 1.64 3 7 0 46.49 2.55 3 7 0 46.63 2.76 -3 7 0 36.52 3.69 -3 7 0 41.61 2.91 -5 -7 0 79.76 2.82 -5 -7 0 83.27 2.85 5 -7 0 76.85 3.15 5 -7 0 83.70 2.73 -5 -7 0 79.88 3.86 -5 -7 0 80.45 3.20 5 -7 0 74.98 4.18 -5 -7 0 79.21 3.71 5 -7 0 80.43 3.14 5 -7 0 81.59 4.79 5 -7 0 78.52 2.65 -5 7 0 86.16 5.13 -5 7 0 81.33 4.38 -5 7 0 78.52 2.74 5 7 0 77.71 3.84 5 7 0 82.17 4.15 5 7 0 76.92 2.75 5 7 0 79.13 3.67 -5 7 0 76.22 3.56 7 -7 0 1.67 0.57 7 -7 0 1.42 0.50 7 -7 0 0.25 0.69 7 -7 0 0.60 0.39 7 -7 0 1.61 0.56 7 -7 0 1.46 1.11 -7 -7 0 1.41 0.68 -7 -7 0 0.94 0.62 -7 -7 0 0.62 0.43 -7 -7 0 0.90 0.39 7 7 0 1.18 0.48 -7 7 0 1.83 0.70 -7 7 0 1.09 0.94 -7 7 0 0.86 0.42 7 7 0 1.15 0.47 7 7 0 0.57 0.69 -7 7 0 0.82 1.09 7 7 0 1.35 0.49 7 7 0 0.40 0.69 -9 -7 0 72.38 2.58 9 -7 0 63.27 4.61 9 -7 0 64.94 4.10 9 -7 0 72.06 3.11 9 -7 0 71.63 3.06 -9 -7 0 64.61 3.04 -9 -7 0 72.75 3.33 9 7 0 75.02 2.61 9 7 0 68.52 2.73 9 7 0 67.22 2.58 9 7 0 71.79 3.56 -9 7 0 70.65 3.30 -9 7 0 68.62 4.97 -9 7 0 72.80 2.86 -9 7 0 75.87 4.46 -11 -7 0 172.06 5.19 11 -7 0 166.24 5.88 11 -7 0 164.58 7.52 11 -7 0 174.22 5.91 -11 -7 0 166.80 5.93 11 -7 0 170.51 8.44 -11 7 0 195.65 8.00 11 7 0 171.02 5.13 -11 7 0 174.31 5.75 11 7 0 156.51 5.44 -11 7 0 163.91 6.01 11 7 0 170.84 6.46 -13 -7 0 47.56 1.98 13 -7 0 42.62 2.48 13 -7 0 50.46 3.85 13 -7 0 50.36 2.64 -13 -7 0 48.28 2.60 -13 7 0 47.88 2.59 -13 7 0 47.66 2.47 13 7 0 55.98 3.24 13 7 0 44.24 2.30 13 7 0 50.16 2.01 -13 7 0 57.72 4.16 -15 -7 0 0.63 0.64 15 -7 0 1.47 0.73 15 -7 0 1.43 0.73 -15 7 0 1.97 0.76 15 7 0 2.26 0.68 -15 7 0 2.02 1.03 -15 7 0 1.53 0.78 15 7 0 1.16 0.61 17 -7 0 24.20 1.92 -17 -7 0 23.53 1.89 17 -7 0 24.34 1.91 17 7 0 21.95 1.44 -17 7 0 26.15 1.95 -17 7 0 20.43 2.25 17 7 0 22.09 2.01 -17 7 0 16.75 1.76 19 -7 0 30.48 2.26 19 -7 0 27.19 2.11 -19 -7 0 28.06 2.14 -19 7 0 25.97 2.49 -19 7 0 24.49 1.86 19 7 0 26.45 1.58 19 7 0 24.58 1.96 -19 7 0 27.08 2.60 -21 -7 0 10.95 1.63 21 -7 0 9.34 1.56 21 -7 0 9.16 1.61 21 7 0 10.30 1.62 -21 7 0 12.73 1.87 -21 7 0 11.38 1.77 -21 7 0 12.37 1.53 23 -7 0 13.20 1.81 23 -7 0 8.73 1.56 -23 -7 0 9.12 1.66 -23 7 0 11.18 1.94 23 7 0 11.25 1.76 25 -7 0 14.32 1.99 25 -7 0 9.88 1.73 -25 -7 0 13.21 1.98 -25 7 0 11.50 2.11 25 7 0 8.16 1.59 0 -8 0 2.09 0.55 0 -8 0 2.13 1.15 0 -8 0 1.20 0.40 0 8 0 1.34 0.83 0 8 0 1.77 1.09 0 8 0 2.06 0.48 0 8 0 1.67 0.43 0 8 0 3.04 0.89 0 8 0 1.57 0.79 -2 -8 0 54.65 3.49 -2 -8 0 56.69 2.40 2 -8 0 58.08 2.08 2 -8 0 56.93 2.53 2 -8 0 54.62 3.58 2 -8 0 53.09 2.44 2 -8 0 56.22 3.85 -2 -8 0 59.87 2.17 2 8 0 55.45 2.11 2 8 0 57.53 3.49 2 8 0 52.97 3.74 2 8 0 57.16 2.17 -2 8 0 57.41 3.09 2 8 0 53.93 3.10 -2 8 0 58.40 2.11 -2 8 0 61.23 3.69 -2 8 0 55.14 2.11 -2 8 0 63.94 4.38 4 -8 0 16.99 1.30 -4 -8 0 15.24 1.98 4 -8 0 16.67 2.53 -4 -8 0 14.24 1.07 -4 -8 0 19.06 1.15 4 -8 0 15.57 1.48 4 -8 0 16.59 1.01 4 -8 0 16.22 2.25 -4 8 0 16.98 1.84 4 8 0 16.34 1.05 -4 8 0 20.97 2.51 4 8 0 16.15 2.02 -4 8 0 16.12 1.01 -4 8 0 17.81 2.83 4 8 0 13.93 1.74 6 -8 0 11.88 1.30 6 -8 0 12.05 0.93 6 -8 0 11.67 0.88 6 -8 0 9.54 2.06 -6 -8 0 12.72 0.96 -6 -8 0 14.32 1.46 6 -8 0 11.53 1.31 -6 8 0 15.08 2.19 6 8 0 12.75 1.69 -6 8 0 13.27 1.63 -6 8 0 14.62 2.66 6 8 0 12.26 0.96 6 8 0 14.21 1.83 8 -8 0 46.61 2.39 -8 -8 0 45.80 1.98 -8 -8 0 47.01 2.42 8 -8 0 40.55 4.29 8 -8 0 45.35 2.39 -8 8 0 45.58 2.68 -8 8 0 44.76 2.11 8 8 0 44.97 2.06 -8 8 0 43.39 3.44 -8 8 0 51.21 4.31 -10 -8 0 10.85 1.36 10 -8 0 12.58 2.50 10 -8 0 9.20 1.28 10 -8 0 11.78 1.39 -10 -8 0 9.32 0.96 -10 8 0 9.97 2.06 10 8 0 10.55 1.17 -10 8 0 10.19 1.50 -10 8 0 9.20 1.16 -12 -8 0 10.68 1.04 -12 -8 0 8.66 1.32 12 -8 0 8.04 1.26 12 -8 0 10.14 1.39 12 8 0 10.69 1.27 -12 8 0 11.85 2.38 -12 8 0 9.91 1.44 -12 8 0 10.69 1.30 -14 -8 0 5.83 1.20 -14 -8 0 4.42 0.72 14 -8 0 3.02 0.90 14 -8 0 4.91 1.12 14 8 0 3.62 0.91 -14 8 0 6.22 1.09 -14 8 0 3.06 0.94 16 -8 0 0.88 0.68 16 -8 0 0.16 0.62 -16 -8 0 -0.33 0.56 -16 8 0 -0.46 0.56 -16 8 0 1.62 1.02 -16 8 0 0.28 0.72 16 8 0 -0.51 0.57 16 8 0 0.20 0.67 18 -8 0 1.39 0.85 -18 -8 0 1.09 0.79 18 -8 0 0.97 0.83 18 8 0 2.20 0.94 -18 8 0 3.68 1.34 -18 8 0 2.03 0.94 18 8 0 2.33 0.73 -18 8 0 0.32 0.66 20 -8 0 9.25 1.56 20 -8 0 13.07 1.81 -20 -8 0 14.77 2.02 20 8 0 13.48 1.70 -20 8 0 13.98 1.87 -20 8 0 13.99 2.02 -20 8 0 10.02 1.52 22 -8 0 61.51 3.43 22 -8 0 53.07 3.30 -22 -8 0 52.66 3.31 22 8 0 58.89 3.27 -22 8 0 55.42 3.53 24 -8 0 7.15 1.67 -24 -8 0 6.31 1.62 24 -8 0 9.43 1.74 24 8 0 11.34 1.77 -24 8 0 9.37 1.83 1 -9 0 0.31 0.45 -1 -9 0 0.56 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0.44 0.67 2 4 -9 1.32 0.74 -2 4 9 1.21 0.79 2 4 -9 0.95 0.47 2 4 -9 1.94 0.86 2 4 -9 1.22 0.44 -2 4 9 1.46 0.67 2 4 -9 1.60 0.48 -2 4 9 0.37 0.51 -2 4 9 1.05 0.19 2 4 -9 0.78 0.47 -2 4 9 1.40 0.21 0 -4 -9 133.56 5.58 0 -4 -9 136.99 4.50 0 -4 9 138.68 4.17 0 -4 9 141.61 4.56 0 -4 9 142.46 6.01 0 -4 -9 137.75 4.11 0 -4 -9 141.60 5.03 0 -4 9 139.91 5.92 0 4 9 145.43 5.27 0 4 -9 146.01 6.11 0 4 -9 131.26 5.93 0 4 9 143.19 5.69 0 4 9 135.13 4.99 0 4 -9 136.85 4.45 0 4 -9 142.64 4.61 0 4 -9 140.08 4.55 0 4 9 142.92 3.92 0 4 -9 146.72 4.44 2 -4 9 48.57 3.09 -2 -4 -9 49.54 2.12 -2 -4 -9 49.39 2.60 2 -4 9 51.89 3.11 2 -4 9 49.98 2.20 -2 -4 -9 47.63 1.87 -2 -4 -9 48.19 2.17 2 -4 9 49.19 1.62 2 -4 9 50.37 3.14 -2 4 -9 51.02 1.80 2 4 9 46.82 2.50 -2 4 -9 39.20 3.07 -2 4 -9 51.50 3.19 2 4 9 50.82 1.78 -2 4 -9 49.35 2.18 2 4 9 47.30 2.17 2 4 9 49.44 2.56 -4 -4 -9 7.17 0.70 4 -4 9 6.26 1.38 -4 -4 -9 7.01 0.82 -4 -4 -9 5.63 0.82 4 -4 9 6.62 1.39 -4 -4 -9 7.64 0.90 4 -4 9 5.07 0.81 -4 4 -9 6.67 0.50 -4 4 -9 5.67 1.35 4 4 9 8.28 0.84 4 4 9 7.64 1.14 -4 4 -9 6.21 0.48 4 4 9 6.80 0.81 4 4 9 7.39 0.73 -4 4 -9 6.57 0.92 -4 4 -9 3.81 1.25 -6 -4 -9 6.84 0.89 -6 -4 -9 7.24 0.91 6 -4 9 8.12 1.04 6 -4 9 6.20 1.39 6 -4 9 5.79 1.35 -6 4 -9 5.02 1.33 6 4 9 7.82 1.26 -6 4 -9 6.67 1.62 6 4 9 7.77 0.92 -6 4 -9 8.17 1.05 8 -4 9 78.48 4.22 8 -4 9 75.79 4.41 -8 -4 -9 78.64 3.20 8 -4 9 73.90 3.25 8 4 9 74.36 3.41 -8 4 -9 82.90 3.44 8 4 9 81.27 3.62 -8 4 -9 74.96 4.30 10 -4 9 84.89 3.60 -10 -4 -9 81.42 3.52 10 4 9 83.05 3.62 10 4 9 85.79 3.80 -10 4 -9 83.36 3.70 -12 -4 -9 37.55 2.29 12 -4 9 36.23 2.25 -12 -4 -9 34.60 1.88 -12 4 -9 38.68 2.47 12 4 9 38.28 2.35 12 4 9 37.69 2.31 -14 -4 -9 -0.24 0.45 14 -4 9 0.98 0.68 -14 -4 -9 1.06 0.63 14 4 9 0.85 0.63 14 4 9 0.88 0.72 14 4 9 0.44 0.68 -14 4 -9 1.81 0.98 16 -4 9 43.97 2.69 -16 -4 -9 44.57 2.30 -16 -4 -9 51.08 2.96 -16 4 -9 45.90 2.94 16 4 9 40.88 2.56 16 4 9 44.77 2.63 16 4 9 50.29 2.94 18 -4 9 47.69 2.95 -18 -4 -9 51.15 3.24 -18 -4 -9 54.92 2.65 -18 4 -9 54.09 3.42 18 4 9 47.86 2.87 18 4 9 55.90 2.90 18 4 9 48.67 3.06 20 -4 9 1.36 0.90 -20 -4 -9 0.40 0.77 -20 4 -9 2.00 1.08 20 4 9 1.05 0.90 20 4 9 2.22 1.02 20 4 9 1.91 0.81 -22 -4 -9 15.35 1.74 22 -4 9 10.67 1.80 22 4 9 16.09 2.23 22 4 9 13.98 1.99 -22 4 -9 10.77 2.05 22 4 9 12.11 1.71 24 -4 9 26.12 2.68 24 4 9 26.70 2.86 24 4 9 24.87 2.42 -24 4 -9 24.58 3.08 -29 -5 9 3.05 1.35 29 -5 -9 3.83 1.14 29 -5 -9 1.53 0.99 29 5 -9 3.80 1.27 -29 5 9 3.39 1.62 27 -5 -9 0.90 0.91 27 -5 -9 -0.21 0.75 -27 -5 9 1.84 1.01 27 5 -9 1.36 0.94 -27 5 9 1.10 1.21 -25 -5 9 7.98 1.71 25 -5 -9 6.03 1.26 25 -5 -9 5.37 1.08 -25 5 9 7.70 1.48 -25 5 9 7.97 1.88 25 5 -9 7.13 1.44 23 -5 -9 31.27 1.99 -23 -5 9 25.50 2.61 23 -5 -9 29.03 2.02 23 -5 -9 28.61 1.94 -23 5 9 28.62 3.19 23 5 -9 25.97 2.45 -23 5 9 29.69 2.33 -21 -5 9 31.53 2.36 21 -5 -9 25.86 1.81 21 -5 -9 29.12 1.90 21 5 -9 29.78 2.11 -21 5 9 29.47 3.21 -21 5 9 30.85 2.42 19 -5 -9 34.86 1.93 -19 -5 9 31.61 2.32 19 -5 -9 33.66 1.99 19 5 -9 36.91 2.26 -19 5 9 34.67 2.52 -19 5 9 34.04 3.39 17 -5 -9 4.15 1.47 17 -5 -9 0.88 0.54 17 -5 -9 1.92 0.58 -17 -5 9 1.48 0.73 17 5 -9 0.67 0.58 -17 5 9 2.12 0.78 -17 5 9 1.62 1.03 -17 5 9 2.11 1.32 -15 -5 9 30.95 2.09 15 -5 -9 30.78 1.56 15 -5 -9 27.62 1.68 15 -5 -9 31.77 3.29 15 -5 -9 33.84 4.15 -15 5 9 29.05 3.16 -15 5 9 29.30 2.15 -15 5 9 34.43 2.68 15 5 -9 32.91 1.93 13 -5 -9 10.67 1.85 13 -5 -9 10.62 1.07 13 -5 -9 11.03 2.33 13 -5 -9 8.72 1.05 -13 -5 9 12.99 1.82 13 -5 -9 9.06 0.87 -13 -5 9 9.35 1.29 13 5 -9 11.94 1.26 -13 5 9 7.44 2.33 -13 5 9 10.41 1.91 -13 5 9 9.62 1.40 -11 -5 9 42.25 2.90 11 -5 -9 46.63 3.95 -11 -5 9 44.08 2.34 11 -5 -9 45.37 3.21 11 -5 -9 42.64 1.81 -11 -5 9 47.10 3.22 11 -5 -9 43.74 2.07 11 -5 -9 44.64 1.68 -11 -5 9 45.29 1.33 -11 5 9 45.69 4.70 11 5 -9 49.13 3.46 11 5 -9 44.66 3.05 11 5 -9 43.29 2.13 -11 5 9 48.32 2.68 11 5 -9 46.27 1.43 -11 5 9 45.09 3.18 -9 -5 9 104.65 3.11 -9 -5 9 104.05 3.16 -9 -5 9 111.06 5.33 9 -5 -9 105.05 3.27 -9 -5 9 99.98 3.95 9 -5 -9 107.95 3.12 9 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-2 10 25.45 1.68 8 2 10 23.55 1.28 8 2 10 23.44 1.29 -8 2 -10 25.18 2.73 -8 2 -10 26.37 1.75 8 2 10 27.99 1.79 8 2 10 26.70 1.32 8 2 10 24.92 1.63 -8 2 -10 22.95 2.34 10 -2 10 41.14 2.30 -10 -2 -10 40.86 2.05 -10 -2 -10 40.41 1.94 -10 -2 -10 41.28 2.29 10 2 10 39.91 1.90 -10 2 -10 39.59 2.33 10 2 10 41.13 1.74 10 2 10 38.16 2.15 10 2 10 40.76 2.34 12 -2 10 1.48 0.69 -12 -2 -10 0.59 0.60 -12 -2 -10 2.20 0.74 12 2 10 1.70 0.64 12 2 10 0.75 0.60 -12 2 -10 1.51 0.76 12 2 10 1.94 0.48 -14 -2 -10 48.45 2.90 -14 -2 -10 52.21 2.25 14 -2 10 55.36 1.89 14 -2 10 53.61 2.90 14 -2 10 56.02 1.90 -14 2 -10 56.94 3.07 14 2 10 52.74 2.22 14 2 10 51.81 2.69 14 2 10 53.89 2.86 16 -2 10 27.39 1.32 16 -2 10 27.09 2.05 -16 -2 -10 28.14 2.27 -16 -2 -10 28.86 1.56 16 2 10 24.06 1.91 -16 2 -10 22.63 2.41 16 2 10 30.96 2.17 -18 -2 -10 9.94 1.74 18 -2 10 13.11 1.70 -18 -2 -10 12.06 1.23 18 2 10 13.21 1.62 -18 2 -10 6.90 1.45 18 2 10 10.60 1.50 20 -2 10 23.65 2.37 -20 -2 -10 19.14 2.36 20 2 10 23.37 2.30 20 2 10 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33.01 2.70 15 -3 -10 38.47 4.45 -15 -3 10 36.21 2.33 15 -3 -10 39.25 3.11 15 -3 -10 37.88 1.77 15 -3 -10 39.07 1.81 15 3 -10 41.37 2.90 15 3 -10 35.87 1.98 -15 3 10 37.88 3.10 -15 3 10 38.25 2.73 -15 3 10 34.85 2.24 -15 3 10 45.09 4.79 15 3 -10 35.49 4.05 -13 -3 10 18.44 1.80 13 -3 -10 18.86 1.12 13 -3 -10 16.91 1.22 13 -3 -10 17.80 2.23 13 -3 -10 15.01 1.02 -13 -3 10 16.57 2.05 -13 -3 10 16.76 2.37 13 -3 -10 17.20 2.81 -13 3 10 17.06 2.18 13 3 -10 17.59 1.27 13 3 -10 14.52 1.98 -13 3 10 18.39 2.97 -13 3 10 14.42 1.62 13 3 -10 16.98 2.56 -13 3 10 18.18 2.13 11 -3 -10 -0.20 0.25 11 -3 -10 0.66 1.12 -11 -3 10 0.03 0.48 11 -3 -10 0.40 0.39 11 -3 -10 -0.10 0.29 -11 -3 10 0.32 0.54 -11 -3 10 0.39 0.75 11 -3 -10 -0.62 0.60 -11 3 10 0.00 1.00 -11 3 10 0.66 0.63 -11 3 10 0.77 0.74 11 3 -10 0.45 0.89 11 3 -10 0.87 0.68 11 3 -10 0.42 0.39 -11 3 10 -1.03 0.38 9 -3 -10 0.34 0.27 -9 -3 10 0.56 0.21 -9 -3 10 -0.27 0.42 9 -3 -10 0.10 0.59 -9 -3 10 -0.05 0.56 -9 -3 10 0.89 0.91 -9 -3 10 0.32 0.21 9 -3 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2.28 1.04 24 -4 -10 1.23 0.73 -24 4 10 2.47 1.01 -24 4 10 1.94 1.47 24 4 -10 0.81 0.80 22 -4 -10 2.58 0.76 22 -4 -10 3.64 0.90 -22 -4 10 2.32 1.04 22 4 -10 2.12 0.83 -22 4 10 3.40 1.37 -22 4 10 2.47 0.99 20 -4 -10 8.26 1.15 -20 -4 10 4.88 1.22 20 -4 -10 9.04 1.10 -20 4 10 7.06 1.35 20 4 -10 8.63 1.29 -20 4 10 6.78 1.63 -18 -4 10 45.27 2.74 18 -4 -10 43.28 2.11 18 -4 -10 45.95 3.59 18 -4 -10 40.53 2.08 -18 4 10 43.56 2.73 18 4 -10 40.12 2.31 -18 4 10 44.57 3.77 -18 4 10 42.02 3.20 16 -4 -10 48.15 5.18 -16 -4 10 45.10 2.58 16 -4 -10 42.13 1.97 16 -4 -10 50.29 3.54 16 -4 -10 43.38 2.05 -16 4 10 39.52 3.30 -16 4 10 40.58 2.60 16 4 -10 44.36 2.31 -16 4 10 48.41 3.25 -14 -4 10 12.03 1.47 14 -4 -10 11.01 0.87 14 -4 -10 10.87 1.12 14 -4 -10 14.92 2.17 14 -4 -10 11.84 2.56 -14 -4 10 11.18 1.73 -14 4 10 9.43 2.31 -14 4 10 10.01 1.67 14 4 -10 10.39 1.21 -14 4 10 14.32 2.13 14 4 -10 12.38 1.85 -14 4 10 9.17 1.39 12 -4 -10 61.51 2.36 -12 -4 10 49.55 3.60 12 -4 -10 50.45 4.22 -12 -4 10 54.50 3.29 12 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-6 4 10 7.17 1.18 6 4 -10 8.94 0.83 6 4 -10 7.27 1.11 -6 4 10 10.45 1.44 6 4 -10 8.91 1.52 -6 4 10 7.40 1.73 6 4 -10 8.29 1.66 6 4 -10 9.76 0.99 -6 4 10 9.79 0.49 4 -4 -10 7.13 1.59 4 -4 -10 4.99 0.73 4 -4 -10 5.78 0.36 -4 -4 10 8.38 1.39 -4 -4 10 6.14 0.82 -4 -4 10 6.14 0.71 -4 -4 10 3.04 1.01 -4 4 10 7.07 1.18 4 4 -10 8.68 0.86 4 4 -10 6.22 1.44 4 4 -10 5.33 0.86 -4 4 10 4.24 1.25 -4 4 10 6.03 0.35 4 4 -10 8.01 0.93 -4 4 10 5.78 1.06 4 4 -10 6.14 0.80 4 4 -10 7.19 1.36 2 -4 -10 25.41 1.44 -2 -4 10 28.96 2.32 -2 -4 10 26.18 1.28 -2 -4 10 28.51 2.38 2 -4 -10 29.00 1.87 2 -4 -10 26.56 2.65 -2 -4 10 28.50 1.43 2 -4 -10 28.47 1.06 -2 4 10 26.70 1.86 2 4 -10 29.32 1.56 -2 4 10 29.84 1.98 -2 4 10 22.32 2.40 2 4 -10 30.65 2.49 2 4 -10 29.57 2.48 -2 4 10 27.04 0.97 2 4 -10 28.55 1.54 -2 4 10 25.81 0.95 2 4 -10 28.21 1.51 2 4 -10 28.20 1.50 0 -4 -10 2.99 0.61 0 -4 -10 3.48 0.47 0 -4 10 3.48 1.10 0 -4 10 4.17 1.14 0 -4 -10 3.47 0.73 0 -4 10 3.17 0.46 0 -4 -10 1.64 0.84 0 -4 10 2.96 0.62 0 4 -10 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13 -1 -31 0.58 0.83 -13 1 31 0.35 1.09 -13 1 31 0.93 1.23 -13 1 31 0.00 1.67 13 1 -31 1.67 0.91 13 1 -31 0.65 0.94 11 -1 -31 9.88 1.48 -11 -1 31 8.99 1.95 -11 -1 31 7.50 1.64 11 1 -31 10.94 1.63 -11 1 31 14.47 2.04 11 1 -31 9.32 1.56 -11 1 31 7.08 2.11 -11 1 31 11.97 2.15 -9 -1 31 4.96 1.46 -9 -1 31 3.87 1.54 9 -1 -31 7.50 1.41 9 1 -31 3.79 1.15 -9 1 31 6.92 2.11 -9 1 31 8.16 1.62 -9 1 31 5.06 1.55 -7 -1 31 -1.10 1.04 -7 -1 31 -0.19 0.89 7 -1 -31 0.61 0.93 -7 1 31 -0.90 0.94 -7 1 31 0.74 1.10 -7 1 31 0.36 1.40 7 1 -31 0.89 0.96 5 -1 -31 5.45 1.37 -5 -1 31 4.15 1.47 -5 1 31 5.84 1.79 5 1 -31 7.16 1.46 -3 -1 31 10.49 1.99 -3 1 31 14.03 2.34 3 1 -31 14.12 2.02 -1 -1 31 1.84 1.20 1 -1 -31 2.48 1.22 -1 1 31 1.40 1.20 1 -1 31 6.61 1.69 1 1 31 6.75 1.77 -18 -2 31 6.29 1.93 -18 2 31 6.54 1.66 18 2 -31 8.76 1.59 -18 2 31 5.81 2.47 -18 2 31 7.91 1.93 18 2 -31 6.32 1.47 -16 -2 31 1.34 1.35 16 2 -31 0.00 0.74 -16 2 31 -0.48 1.50 16 2 -31 -0.05 0.76 -16 2 31 -1.00 1.10 -16 2 31 0.18 1.08 -14 -2 31 33.06 3.13 -14 -2 31 29.65 3.20 14 2 -31 28.78 2.66 -14 2 31 31.06 3.88 -14 2 31 28.71 3.06 -14 2 31 30.19 3.07 14 2 -31 28.38 2.26 -12 -2 31 26.83 2.65 -12 -2 31 33.83 3.28 12 -2 -31 28.93 2.20 -12 2 31 27.47 2.99 -12 2 31 27.26 2.88 -12 2 31 27.21 3.44 12 2 -31 29.87 2.35 12 2 -31 26.80 2.47 -10 -2 31 -0.41 0.95 10 -2 -31 1.05 0.84 -10 -2 31 0.83 1.21 -10 2 31 1.38 1.56 10 2 -31 -0.06 0.96 -10 2 31 -0.77 1.05 -10 2 31 0.00 1.08 -8 -2 31 26.30 2.67 8 -2 -31 27.91 2.15 -8 -2 31 28.52 3.16 -8 2 31 23.48 3.14 8 2 -31 23.81 2.46 -8 2 31 20.26 2.74 -8 2 31 26.50 2.69 -6 -2 31 24.38 2.65 6 -2 -31 24.07 2.29 -6 2 31 20.56 2.34 -6 2 31 19.57 2.66 6 2 -31 21.40 2.38 -6 2 31 20.81 2.94 4 -2 -31 2.72 1.19 -4 -2 31 2.30 1.16 -4 2 31 2.25 1.44 4 2 -31 1.32 1.04 2 -2 -31 3.81 1.31 -2 -2 31 3.95 1.57 -2 2 31 3.71 1.38 2 2 -31 3.38 1.24 0 -2 -31 14.21 2.03 0 -2 31 7.70 1.81 0 2 31 10.06 2.08 19 3 -31 0.67 0.93 -17 -3 31 8.81 1.91 -17 3 31 4.87 1.77 17 3 -31 7.01 1.43 -17 3 31 5.23 1.72 17 3 -31 6.65 1.47 -17 3 31 8.81 2.60 -15 -3 31 14.20 2.33 15 3 -31 10.93 1.71 -15 3 31 9.24 2.47 -15 3 31 7.01 1.88 15 3 -31 15.33 2.05 -15 3 31 10.57 2.07 -13 -3 31 2.41 1.35 -13 3 31 -0.06 1.49 13 3 -31 1.38 0.97 13 3 -31 0.30 0.73 -13 3 31 1.09 1.33 -13 3 31 0.61 1.17 -11 -3 31 17.25 2.32 -11 -3 31 11.95 1.86 11 3 -31 14.01 1.83 -11 3 31 12.65 2.22 11 3 -31 9.98 1.79 -11 3 31 9.58 2.54 -11 3 31 13.97 2.33 -9 -3 31 14.34 2.03 9 3 -31 13.83 1.95 -9 3 31 17.50 2.28 -9 3 31 13.17 2.61 -9 3 31 9.59 2.07 -7 -3 31 -1.21 0.90 -7 3 31 -0.52 1.30 -7 3 31 -0.02 1.52 7 3 -31 -0.59 0.76 -7 3 31 -1.50 1.01 -5 -3 31 11.17 1.92 -5 3 31 11.44 1.93 -5 3 31 10.63 2.34 5 3 -31 9.75 1.73 -5 3 31 10.37 2.26 -3 -3 31 21.28 2.67 -3 3 31 21.81 2.94 3 3 -31 21.93 2.57 -1 -3 31 6.19 1.61 1 3 -31 9.29 1.87 -1 3 31 10.63 2.14 16 -4 -31 10.27 1.77 -16 -4 31 12.03 2.14 16 4 -31 8.66 1.70 -16 4 31 10.76 2.08 16 4 -31 13.66 1.96 -16 4 31 7.08 2.35 -14 -4 31 25.38 2.85 -14 4 31 24.57 3.70 14 4 -31 21.24 2.38 14 4 -31 28.04 2.77 -14 4 31 22.53 2.90 -12 -4 31 20.20 2.44 -12 4 31 13.41 2.71 -12 4 31 11.14 2.23 12 4 -31 20.04 2.23 -12 4 31 20.19 2.65 12 4 -31 20.03 2.37 -10 -4 31 0.74 0.85 10 4 -31 2.41 1.01 -10 4 31 3.29 1.83 -10 4 31 0.68 1.14 -10 4 31 1.49 1.22 10 4 -31 0.15 1.05 -8 -4 31 5.48 1.46 -8 4 31 4.88 1.66 -8 4 31 5.97 2.17 8 4 -31 3.15 1.14 -8 4 31 5.46 1.68 -6 -4 31 4.80 1.40 6 4 -31 10.33 1.82 -6 4 31 7.23 1.86 -6 4 31 11.27 2.57 -6 4 31 3.86 1.57 -4 -4 31 1.25 1.21 -4 4 31 0.42 1.25 4 4 -31 2.08 1.08 -4 4 31 2.26 1.46 -4 4 31 1.76 1.70 -2 -4 31 0.81 1.22 2 4 -31 -0.48 0.82 -2 4 31 0.25 1.40 -15 -5 31 -1.46 1.14 15 -5 -31 0.04 1.02 -15 5 31 -0.23 1.66 15 5 -31 -0.85 1.09 15 5 -31 0.58 0.79 -15 5 31 -0.36 1.15 13 -5 -31 1.40 1.23 -13 -5 31 0.94 1.34 13 5 -31 3.30 1.25 -13 5 31 0.42 1.39 13 5 -31 1.31 0.97 -13 5 31 2.26 2.00 11 -5 -31 4.58 1.26 11 5 -31 5.16 1.48 11 5 -31 2.13 1.10 -11 5 31 1.87 1.56 -11 5 31 3.43 2.23 -9 -5 31 2.37 1.08 -9 5 31 1.49 1.99 -9 5 31 2.97 1.53 9 5 -31 3.50 1.24 -9 5 31 1.81 1.58 -7 -5 31 1.07 0.96 -7 5 31 2.32 1.88 7 5 -31 1.53 1.07 -7 5 31 1.45 1.31 -7 5 31 2.37 1.72 -5 -5 31 -0.53 1.05 -5 5 31 1.03 1.75 5 5 -31 -0.08 0.93 -5 5 31 1.15 1.29 -5 5 31 0.39 1.27 -18 0 32 2.86 1.93 18 0 -32 4.05 1.10 18 0 -32 4.28 1.30 16 0 -32 2.85 1.14 16 0 -32 5.41 1.35 -16 0 32 1.68 1.66 -14 0 32 12.34 2.48 14 0 -32 10.20 1.66 14 0 -32 9.84 1.58 -14 0 32 12.18 1.96 12 0 -32 9.01 1.57 -12 0 32 4.00 1.80 -12 0 32 5.19 1.59 -12 0 32 6.33 1.51 10 0 -32 0.85 0.92 -10 0 32 1.44 1.14 -10 0 32 0.10 1.45 -10 0 32 1.96 1.11 -8 0 32 -2.20 1.16 -8 0 32 -0.35 0.96 -8 0 32 0.59 0.91 8 0 -32 0.53 0.98 6 0 -32 7.38 1.51 -6 0 32 8.22 1.85 -4 0 32 6.30 1.67 4 0 -32 6.59 1.44 -2 0 32 8.58 1.87 -17 -1 32 9.68 2.29 17 -1 -32 7.10 1.42 17 -1 -32 9.97 1.59 -17 1 32 7.45 2.16 17 1 -32 6.77 1.47 -17 1 32 9.85 1.90 17 1 -32 9.71 1.54 -15 -1 32 -1.45 1.30 15 -1 -32 0.24 0.96 15 -1 -32 0.84 0.88 -15 1 32 0.37 1.41 15 1 -32 -0.16 0.67 15 1 -32 1.31 0.85 -15 1 32 -0.36 1.26 -15 1 32 -0.55 0.89 -13 -1 32 6.77 1.55 13 -1 -32 6.60 1.36 -13 -1 32 5.81 1.89 -13 1 32 5.73 2.13 13 1 -32 7.69 1.44 -13 1 32 5.05 1.75 -13 1 32 6.02 1.65 13 1 -32 6.69 1.36 11 -1 -32 10.70 1.65 -11 -1 32 11.00 1.93 -11 -1 32 10.88 2.20 11 1 -32 5.73 1.42 -11 1 32 6.06 2.14 -11 1 32 8.86 1.76 -11 1 32 10.03 1.74 -9 -1 32 20.30 2.50 9 -1 -32 15.09 1.90 -9 -1 32 19.13 2.50 -9 1 32 14.05 2.77 9 1 -32 15.34 2.10 -9 1 32 15.39 2.13 -9 1 32 16.39 2.36 7 -1 -32 28.27 2.55 -7 -1 32 23.25 2.69 -7 1 32 27.84 3.29 -7 1 32 22.26 2.84 7 1 -32 25.71 2.61 -7 1 32 30.75 2.48 -5 -1 32 -0.97 1.16 5 -1 -32 2.05 1.10 5 1 -32 1.30 0.92 -5 1 32 0.57 1.15 -3 -1 32 32.23 3.30 3 -1 -32 24.50 2.70 -3 1 32 26.84 3.11 3 1 -32 30.80 2.87 -16 -2 32 7.20 1.89 -16 2 32 8.72 1.86 16 2 -32 4.29 1.24 16 2 -32 8.14 1.60 -16 2 32 2.69 1.49 -16 2 32 3.33 2.22 -14 -2 32 18.69 2.62 -14 2 32 18.01 2.96 -14 2 32 15.14 2.25 14 2 -32 19.98 2.18 -14 2 32 22.73 2.64 14 2 -32 20.05 2.28 -12 -2 32 6.41 1.75 -12 -2 32 5.22 1.47 -12 2 32 3.71 2.03 12 2 -32 5.15 1.33 -12 2 32 4.47 1.55 12 2 -32 4.90 1.41 -12 2 32 5.13 1.69 -10 -2 32 -0.35 1.32 -10 -2 32 0.07 0.90 10 2 -32 0.09 0.83 -10 2 32 0.02 1.11 -10 2 32 -0.21 1.71 -10 2 32 0.47 1.23 -8 -2 32 1.51 1.22 -8 2 32 3.60 1.80 8 2 -32 2.12 1.05 -8 2 32 0.78 1.23 -8 2 32 1.35 1.28 -6 -2 32 4.42 1.38 6 2 -32 5.10 1.35 -6 2 32 3.94 1.43 -6 2 32 6.19 1.95 -6 2 32 2.20 1.22 -4 -2 32 2.74 1.30 -4 2 32 1.72 1.37 4 2 -32 0.63 0.92 -15 -3 32 1.38 1.46 -15 3 32 0.63 1.43 -15 3 32 0.33 1.28 15 3 -32 -0.62 0.86 15 3 -32 -0.28 0.88 -15 3 32 1.24 2.02 -13 -3 32 6.27 1.82 -13 3 32 3.05 1.70 13 3 -32 7.33 1.48 -13 3 32 2.43 1.77 13 3 -32 7.28 1.50 -13 3 32 6.88 1.78 -11 -3 32 0.04 1.17 -11 -3 32 0.59 0.89 11 3 -32 -0.28 0.80 -11 3 32 0.03 1.23 -11 3 32 -0.15 1.69 11 3 -32 -0.15 0.78 -11 3 32 -0.91 1.08 -9 -3 32 0.26 1.02 -9 3 32 -1.34 1.67 -9 3 32 -2.16 1.12 -9 3 32 0.05 1.34 9 3 -32 1.42 1.07 -7 -3 32 2.29 1.16 -7 3 32 1.33 1.33 7 3 -32 2.74 1.20 -7 3 32 1.39 1.21 -7 3 32 1.72 1.74 -5 -3 32 1.18 1.03 -5 3 32 -0.54 1.42 5 3 -32 -0.01 1.11 -5 3 32 0.35 1.68 -5 3 32 0.23 1.24 -12 -4 32 5.20 1.55 12 4 -32 6.00 1.47 -12 4 32 6.38 1.67 12 4 -32 4.32 1.46 -12 4 32 7.54 1.93 -12 4 32 4.83 2.05 -10 -4 32 -0.58 0.97 -10 4 32 -0.67 1.23 -10 4 32 1.04 1.22 -10 4 32 -1.11 1.87 10 4 -32 1.61 1.07 -8 -4 32 1.52 1.24 -8 4 32 -0.26 1.24 8 4 -32 3.12 1.25 -8 4 32 2.83 1.97 -8 4 32 0.73 1.23 14 0 -33 -0.09 0.89 -14 0 33 1.15 1.66 14 0 -33 0.04 0.97 -14 0 33 0.21 1.17 12 0 -33 0.98 1.00 -12 0 33 0.15 1.55 -12 0 33 -0.10 1.23 -10 0 33 1.45 1.61 -10 0 33 -1.00 1.17 -10 0 33 0.71 1.12 10 0 -33 0.07 0.96 8 0 -33 -0.36 0.97 -8 0 33 0.07 1.01 -6 0 33 -0.86 1.01 -13 -1 33 16.60 2.21 -13 -1 33 15.30 2.55 13 -1 -33 16.29 1.98 -13 1 33 21.26 3.08 -13 1 33 18.48 2.42 13 1 -33 16.27 2.04 -13 1 33 20.71 2.55 13 1 -33 18.26 2.19 -11 -1 33 25.55 2.86 11 -1 -33 27.61 2.54 -11 -1 33 21.82 2.88 11 1 -33 22.36 2.42 -11 1 33 23.98 2.65 -11 1 33 21.21 2.65 -11 1 33 24.88 3.31 9 -1 -33 -0.09 0.86 -9 -1 33 -0.83 1.12 -9 1 33 -0.20 1.18 9 1 -33 0.42 0.91 -9 1 33 -0.38 1.12 -9 1 33 -1.09 1.62 -7 -1 33 7.95 1.79 7 -1 -33 3.46 1.26 -7 1 33 5.68 1.66 7 1 -33 5.13 1.36 -12 -2 33 0.87 1.18 -12 -2 33 3.71 1.60 12 2 -33 2.85 1.07 -12 2 33 -0.74 1.84 -12 2 33 1.66 1.33 -12 2 33 1.98 1.50 -10 -2 33 15.72 2.30 10 2 -33 19.98 2.35 -10 2 33 18.17 2.34 -10 2 33 16.06 2.61 -10 2 33 16.97 2.98 -8 -2 33 4.64 1.58 -8 2 33 3.29 1.45 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 88268 #===END CIF_complex4b _audit_creation_method 'SHELXL-2014/7' _shelx_SHELXL_version_number '2014/7' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C44 H41 Cl2 O3 P2 Ru S2' _chemical_formula_weight 915.80 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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ru' 'Ru' -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_H-M_alt 'C 2/c' _space_group_name_Hall '-C 2yc' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 27.165(3) _cell_length_b 13.0735(13) _cell_length_c 25.394(4) _cell_angle_alpha 90 _cell_angle_beta 118.508(3) _cell_angle_gamma 90 _cell_volume 7925.2(17) _cell_formula_units_Z 8 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 4322 _cell_measurement_theta_min 5.642 _cell_measurement_theta_max 49.753 _exptl_crystal_description plate _exptl_crystal_colour orange _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.535 _exptl_crystal_F_000 3752 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.186 _exptl_crystal_size_mid 0.178 _exptl_crystal_size_min 0.073 _exptl_absorpt_coefficient_mu 0.758 _shelx_estimated_absorpt_T_min 0.872 _shelx_estimated_absorpt_T_max 0.947 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.6827 _exptl_absorpt_correction_T_max 0.7414 _exptl_absorpt_process_details 'Sadabs 2008' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed tube' _diffrn_measurement_device_type 'Bruker APEX-CCD' _diffrn_measurement_method omega-scans _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 44370 _diffrn_reflns_av_unetI/netI 0.0701 _diffrn_reflns_av_R_equivalents 0.0969 _diffrn_reflns_limit_h_min -32 _diffrn_reflns_limit_h_max 32 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 2.902 _diffrn_reflns_theta_max 25.000 _diffrn_reflns_theta_full 25.000 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measured_fraction_theta_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_point_group_measured_fraction_full 0.997 _reflns_number_total 6950 _reflns_number_gt 4877 _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 'APEX2 ver. 2014.9 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.68A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.68A (Bruker AXS)' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_molecular_graphics 'ShelXLe (Huebschle et all, 2011)' _computing_publication_material 'SHELXL-2014/6 (Sheldrick, 2014)' _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^)+(0.0243P)^2^+7.7200P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 6950 _refine_ls_number_parameters 494 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0738 _refine_ls_R_factor_gt 0.0381 _refine_ls_wR_factor_ref 0.0774 _refine_ls_wR_factor_gt 0.0661 _refine_ls_goodness_of_fit_ref 1.044 _refine_ls_restrained_S_all 1.044 _refine_ls_shift/su_max 0.002 _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 Ru1 Ru 0.83427(2) 0.99571(2) 0.85163(2) 0.01107(8) Uani 1 1 d . . . . . H1 H 0.8246(15) 0.879(3) 0.9232(16) 0.016(11) Uiso 1 1 d . . . . . Cl1 Cl 0.65056(5) 1.36878(8) 0.89864(5) 0.0309(3) Uani 1 1 d . . . . . S1 S 0.82069(4) 0.82321(7) 0.80928(4) 0.0142(2) Uani 1 1 d . . . . . P1 P 0.86899(4) 0.78134(7) 0.89553(4) 0.0120(2) Uani 1 1 d . . . . . O1 O 0.86784(10) 1.02115(18) 1.00845(11) 0.0180(6) Uani 1 1 d . . . . . C1 C 0.85804(16) 0.8942(3) 0.92755(16) 0.0116(8) Uani 1 1 d . . . . . Cl2 Cl 0.55243(4) 0.86480(8) 0.57780(4) 0.0240(2) Uani 1 1 d . . . . . S2 S 0.89746(4) 0.93432(7) 1.00173(4) 0.0131(2) Uani 1 1 d . . . . . P2 P 0.74454(4) 0.96430(7) 0.84064(4) 0.0128(2) Uani 1 1 d . . . . . O2 O 0.95613(10) 0.94770(19) 1.01954(11) 0.0163(6) Uani 1 1 d . . . . . C2 C 0.93816(15) 0.7495(3) 0.90857(16) 0.0146(9) Uani 1 1 d . . . . . O3 O 0.73950(10) 0.88375(18) 0.88086(11) 0.0152(6) Uani 1 1 d . . . . . C3 C 0.94338(17) 0.6578(3) 0.88349(18) 0.0222(10) Uani 1 1 d . . . . . H3 H 0.9124 0.6124 0.8655 0.027 Uiso 1 1 calc R U . . . C4 C 0.99339(17) 0.6324(3) 0.88454(19) 0.0267(10) Uani 1 1 d . . . . . H4 H 0.9967 0.5697 0.8676 0.032 Uiso 1 1 calc R U . . . C5 C 1.03829(16) 0.6984(3) 0.91029(17) 0.0216(10) Uani 1 1 d . . . . . H5 H 1.0725 0.6812 0.9109 0.026 Uiso 1 1 calc R U . . . C6 C 1.03371(16) 0.7889(3) 0.93500(16) 0.0179(9) Uani 1 1 d . . . . . H6 H 1.0648 0.8342 0.9525 0.021 Uiso 1 1 calc R U . . . C7 C 0.98381(15) 0.8149(3) 0.93461(16) 0.0150(9) Uani 1 1 d . . . . . H7 H 0.9810 0.8774 0.9521 0.018 Uiso 1 1 calc R U . . . C8 C 0.84253(15) 0.6704(3) 0.91637(16) 0.0140(9) Uani 1 1 d . . . . . C9 C 0.78479(16) 0.6540(3) 0.88864(17) 0.0166(9) Uani 1 1 d . . . . . H9 H 0.7604 0.6971 0.8567 0.020 Uiso 1 1 calc R U . . . C10 C 0.76294(17) 0.5748(3) 0.90756(18) 0.0237(10) Uani 1 1 d . . . . . H10 H 0.7236 0.5639 0.8886 0.028 Uiso 1 1 calc R U . . . C11 C 0.79821(17) 0.5122(3) 0.95369(18) 0.0234(10) Uani 1 1 d . . . . . H11 H 0.7831 0.4574 0.9660 0.028 Uiso 1 1 calc R U . . . C12 C 0.85545(18) 0.5281(3) 0.98239(17) 0.0232(10) Uani 1 1 d . . . . . H12 H 0.8794 0.4856 1.0150 0.028 Uiso 1 1 calc R U . . . C13 C 0.87778(17) 0.6063(3) 0.96343(17) 0.0181(9) Uani 1 1 d . . . . . H13 H 0.9172 0.6163 0.9825 0.022 Uiso 1 1 calc R U . . . C14 C 0.89114(16) 0.8332(3) 1.04425(16) 0.0143(9) Uani 1 1 d . . . . . C15 C 0.93697(16) 0.7736(3) 1.08012(16) 0.0184(9) Uani 1 1 d . . . . . H15 H 0.9727 0.7884 1.0838 0.022 Uiso 1 1 calc R U . . . C16 C 0.93012(17) 0.6919(3) 1.11073(17) 0.0236(10) Uani 1 1 d . . . . . H16 H 0.9613 0.6502 1.1355 0.028 Uiso 1 1 calc R U . . . C17 C 0.87804(17) 0.6706(3) 1.10532(17) 0.0215(10) Uani 1 1 d . . . . . H17 H 0.8735 0.6135 1.1257 0.026 Uiso 1 1 calc R U . . . C18 C 0.83242(17) 0.7321(3) 1.07030(17) 0.0216(10) Uani 1 1 d . . . . . H18 H 0.7969 0.7182 1.0673 0.026 Uiso 1 1 calc R U . . . C19 C 0.83900(16) 0.8142(3) 1.03959(17) 0.0193(9) Uani 1 1 d . . . . . H19 H 0.8081 0.8570 1.0156 0.023 Uiso 1 1 calc R U . . . C20 C 0.83184(16) 1.2217(3) 0.91964(17) 0.0205(9) Uani 1 1 d . . . . . H20A H 0.8573 1.2800 0.9363 0.031 Uiso 1 1 calc R U . . . H20B H 0.8344 1.1783 0.9523 0.031 Uiso 1 1 calc R U . . . H20C H 0.7933 1.2466 0.8961 0.031 Uiso 1 1 calc R U . . . C21 C 0.84787(15) 1.1604(3) 0.87984(17) 0.0140(9) Uani 1 1 d . . . . . C22 C 0.89959(15) 1.1087(3) 0.90321(17) 0.0151(9) Uani 1 1 d . . . . . H22 H 0.9219 1.0998 0.9476 0.018 Uiso 1 1 calc R U . . . C23 C 0.91847(15) 1.0597(3) 0.86635(17) 0.0151(9) Uani 1 1 d . . . . . H23 H 0.9525 1.0153 0.8853 0.018 Uiso 1 1 calc R U . . . C24 C 0.88343(15) 1.0547(3) 0.80406(17) 0.0141(9) Uani 1 1 d . . . . . C25 C 0.90038(15) 1.0068(3) 0.76126(16) 0.0189(9) Uani 1 1 d . . . . . H25 H 0.8667 0.9708 0.7297 0.023 Uiso 1 1 calc R U . . . C26 C 0.91572(19) 1.0923(3) 0.73013(19) 0.0306(11) Uani 1 1 d . . . . . H26A H 0.9504 1.1256 0.7593 0.046 Uiso 1 1 calc R U . . . H26B H 0.8854 1.1427 0.7135 0.046 Uiso 1 1 calc R U . . . H26C H 0.9211 1.0630 0.6977 0.046 Uiso 1 1 calc R U . . . C27 C 0.94723(17) 0.9282(3) 0.78922(18) 0.0249(10) Uani 1 1 d . . . . . H27A H 0.9358 0.8731 0.8073 0.037 Uiso 1 1 calc R U . . . H27B H 0.9811 0.9612 0.8202 0.037 Uiso 1 1 calc R U . . . H27C H 0.9549 0.8996 0.7582 0.037 Uiso 1 1 calc R U . . . C28 C 0.82984(15) 1.1020(3) 0.78009(17) 0.0150(9) Uani 1 1 d . . . . . H28 H 0.8017 1.0883 0.7374 0.018 Uiso 1 1 calc R U . . . C29 C 0.81283(16) 1.1542(3) 0.81668(17) 0.0160(9) Uani 1 1 d . . . . . H29 H 0.7730 1.1774 0.7992 0.019 Uiso 1 1 calc R U . . . C30 C 0.71385(15) 1.0805(3) 0.85296(16) 0.0126(8) Uani 1 1 d . . . . . C31 C 0.71896(15) 1.0947(3) 0.90964(17) 0.0155(9) Uani 1 1 d . . . . . H31 H 0.7363 1.0433 0.9393 0.019 Uiso 1 1 calc R U . . . C32 C 0.69909(16) 1.1827(3) 0.92356(18) 0.0210(9) Uani 1 1 d . . . . . H32 H 0.7025 1.1913 0.9623 0.025 Uiso 1 1 calc R U . . . C33 C 0.67443(16) 1.2574(3) 0.88069(18) 0.0190(9) Uani 1 1 d . . . . . C34 C 0.66813(16) 1.2460(3) 0.82354(18) 0.0190(9) Uani 1 1 d . . . . . H34 H 0.6513 1.2982 0.7943 0.023 Uiso 1 1 calc R U . . . C35 C 0.68707(15) 1.1564(3) 0.81009(17) 0.0166(9) Uani 1 1 d . . . . . H35 H 0.6817 1.1465 0.7706 0.020 Uiso 1 1 calc R U . . . C36 C 0.69247(15) 0.9309(3) 0.76364(16) 0.0125(8) Uani 1 1 d . . . . . C37 C 0.64614(16) 0.8735(3) 0.75575(18) 0.0199(9) Uani 1 1 d . . . . . H37 H 0.6440 0.8489 0.7898 0.024 Uiso 1 1 calc R U . . . C38 C 0.60338(16) 0.8518(3) 0.69901(18) 0.0220(10) Uani 1 1 d . . . . . H38 H 0.5717 0.8133 0.6939 0.026 Uiso 1 1 calc R U . . . C39 C 0.60735(15) 0.8871(3) 0.64972(17) 0.0159(9) Uani 1 1 d . . . . . C40 C 0.65387(16) 0.9398(3) 0.65652(17) 0.0198(9) Uani 1 1 d . . . . . H40 H 0.6568 0.9610 0.6224 0.024 Uiso 1 1 calc R U . . . C41 C 0.69621(16) 0.9615(3) 0.71353(16) 0.0174(9) Uani 1 1 d . . . . . H41 H 0.7284 0.9980 0.7184 0.021 Uiso 1 1 calc R U . . . C1A_1 C 0.97155(18) 0.3429(4) 1.2328(2) 0.0395(12) Uani 1 1 d . . . . . H1A_1 H 0.9517 0.2800 1.2208 0.047 Uiso 1 1 calc R U . . . C2A_1 C 0.94285(19) 0.4344(4) 1.2155(2) 0.0377(12) Uani 1 1 d . . . . . H2A_1 H 0.9033 0.4347 1.1913 0.045 Uiso 1 1 calc R U . . . C3A_1 C 0.97187(17) 0.5254(3) 1.23356(19) 0.0308(11) Uani 1 1 d . . . . . H3A_1 H 0.9521 0.5885 1.2227 0.037 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 Ru1 0.01126(15) 0.01069(15) 0.01192(15) 0.00122(14) 0.00607(12) -0.00077(14) Cl1 0.0391(7) 0.0206(6) 0.0462(7) -0.0078(5) 0.0311(6) 0.0028(5) S1 0.0158(5) 0.0144(5) 0.0111(5) -0.0005(4) 0.0056(4) -0.0007(4) P1 0.0125(5) 0.0110(5) 0.0124(5) -0.0009(4) 0.0059(5) -0.0012(4) O1 0.0238(15) 0.0136(15) 0.0207(15) -0.0051(12) 0.0138(13) -0.0003(11) C1 0.012(2) 0.013(2) 0.011(2) 0.0028(16) 0.0059(18) -0.0013(16) Cl2 0.0163(5) 0.0261(6) 0.0221(6) -0.0050(5) 0.0031(5) -0.0013(4) S2 0.0138(5) 0.0136(5) 0.0122(5) -0.0011(4) 0.0065(4) -0.0022(4) P2 0.0122(5) 0.0127(5) 0.0147(5) 0.0013(4) 0.0074(5) 0.0004(4) O2 0.0130(15) 0.0208(15) 0.0152(14) -0.0031(12) 0.0069(12) -0.0053(11) C2 0.013(2) 0.017(2) 0.016(2) 0.0022(17) 0.0086(19) 0.0010(16) O3 0.0155(15) 0.0149(14) 0.0187(15) 0.0056(12) 0.0110(13) -0.0008(11) C3 0.020(2) 0.020(2) 0.028(2) -0.0049(19) 0.013(2) -0.0054(18) C4 0.030(3) 0.016(2) 0.043(3) -0.008(2) 0.025(2) -0.0006(19) C5 0.015(2) 0.026(2) 0.028(2) 0.004(2) 0.014(2) 0.0055(18) C6 0.013(2) 0.022(2) 0.017(2) -0.0010(18) 0.0055(19) -0.0015(17) C7 0.019(2) 0.015(2) 0.011(2) -0.0010(17) 0.0071(18) 0.0008(17) C8 0.020(2) 0.010(2) 0.014(2) -0.0061(16) 0.0096(19) -0.0007(16) C9 0.020(2) 0.014(2) 0.019(2) -0.0015(17) 0.0113(19) 0.0001(17) C10 0.022(2) 0.025(2) 0.030(3) -0.004(2) 0.018(2) -0.0059(19) C11 0.035(3) 0.016(2) 0.030(2) -0.003(2) 0.025(2) -0.009(2) C12 0.036(3) 0.019(2) 0.013(2) 0.0004(17) 0.011(2) 0.0011(18) C13 0.021(2) 0.018(2) 0.017(2) -0.0047(18) 0.0104(19) -0.0055(17) C14 0.020(2) 0.016(2) 0.010(2) -0.0029(17) 0.0095(18) -0.0062(17) C15 0.017(2) 0.022(2) 0.019(2) 0.0020(18) 0.0098(19) 0.0008(17) C16 0.022(2) 0.027(2) 0.019(2) 0.0063(19) 0.007(2) 0.0028(19) C17 0.029(3) 0.021(2) 0.016(2) 0.0003(18) 0.012(2) -0.0057(19) C18 0.021(2) 0.028(2) 0.021(2) 0.0016(19) 0.014(2) -0.0057(19) C19 0.018(2) 0.025(2) 0.017(2) -0.0019(18) 0.0100(19) 0.0025(18) C20 0.023(2) 0.012(2) 0.029(2) 0.0002(18) 0.015(2) -0.0024(17) C21 0.017(2) 0.0061(19) 0.022(2) -0.0014(17) 0.0116(19) -0.0054(16) C22 0.016(2) 0.012(2) 0.017(2) 0.0043(17) 0.0076(19) -0.0050(16) C23 0.015(2) 0.011(2) 0.021(2) 0.0045(17) 0.0103(19) -0.0018(16) C24 0.018(2) 0.009(2) 0.020(2) 0.0006(17) 0.0122(19) -0.0067(16) C25 0.020(2) 0.019(2) 0.020(2) -0.003(2) 0.0117(18) -0.0049(19) C26 0.043(3) 0.033(3) 0.030(3) 0.004(2) 0.029(2) 0.001(2) C27 0.028(3) 0.028(2) 0.026(2) -0.002(2) 0.018(2) 0.0004(19) C28 0.017(2) 0.014(2) 0.015(2) 0.0010(17) 0.0081(19) -0.0036(16) C29 0.014(2) 0.009(2) 0.022(2) 0.0053(17) 0.007(2) -0.0029(16) C30 0.010(2) 0.017(2) 0.013(2) -0.0014(17) 0.0068(18) -0.0025(16) C31 0.011(2) 0.020(2) 0.014(2) 0.0021(17) 0.0046(18) -0.0016(16) C32 0.026(2) 0.026(2) 0.018(2) -0.0054(19) 0.016(2) -0.0051(19) C33 0.018(2) 0.014(2) 0.029(2) -0.0038(19) 0.015(2) -0.0001(17) C34 0.018(2) 0.017(2) 0.026(2) 0.0021(18) 0.013(2) 0.0024(17) C35 0.016(2) 0.021(2) 0.016(2) 0.0000(18) 0.0100(19) -0.0013(17) C36 0.011(2) 0.011(2) 0.016(2) 0.0012(17) 0.0079(18) 0.0047(15) C37 0.019(2) 0.022(2) 0.020(2) -0.0012(18) 0.010(2) -0.0012(18) C38 0.016(2) 0.024(2) 0.026(2) -0.0055(19) 0.010(2) -0.0098(18) C39 0.009(2) 0.016(2) 0.018(2) -0.0024(17) 0.0024(18) 0.0051(16) C40 0.022(2) 0.021(2) 0.015(2) 0.0055(18) 0.008(2) 0.0001(18) C41 0.015(2) 0.015(2) 0.019(2) 0.0015(17) 0.0057(19) -0.0055(16) C1A_1 0.040(3) 0.034(3) 0.040(3) 0.005(2) 0.015(3) -0.005(2) C2A_1 0.020(3) 0.042(3) 0.043(3) 0.015(2) 0.009(2) 0.000(2) C3A_1 0.031(2) 0.031(3) 0.033(3) 0.004(2) 0.017(2) 0.0043(19) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C1 2.169(4) . ? Ru1 C22 2.197(4) . ? Ru1 C29 2.219(4) . ? Ru1 C21 2.243(4) . ? Ru1 C28 2.245(4) . ? Ru1 C23 2.292(4) . ? Ru1 C24 2.319(3) . ? Ru1 P2 2.3534(10) . ? Ru1 S1 2.4494(10) . ? Cl1 C33 1.741(4) . ? S1 P1 2.0188(14) . ? P1 C1 1.777(4) . ? P1 C2 1.794(4) . ? P1 C8 1.807(4) . ? O1 S2 1.448(2) . ? C1 S2 1.745(4) . ? Cl2 C39 1.745(4) . ? S2 O2 1.445(2) . ? S2 C14 1.767(4) . ? P2 O3 1.518(2) . ? P2 C30 1.830(4) . ? P2 C36 1.837(4) . ? C2 C7 1.387(5) . ? C2 C3 1.396(5) . ? C3 C4 1.386(5) . ? C4 C5 1.378(5) . ? C5 C6 1.373(5) . ? C6 C7 1.393(5) . ? C8 C9 1.396(5) . ? C8 C13 1.398(5) . ? C9 C10 1.388(5) . ? C10 C11 1.375(5) . ? C11 C12 1.382(5) . ? C12 C13 1.387(5) . ? C14 C15 1.380(5) . ? C14 C19 1.386(5) . ? C15 C16 1.385(5) . ? C16 C17 1.383(5) . ? C17 C18 1.386(5) . ? C18 C19 1.387(5) . ? C20 C21 1.508(5) . ? C21 C22 1.409(5) . ? C21 C29 1.424(5) . ? C22 C23 1.417(5) . ? C23 C24 1.405(5) . ? C24 C28 1.423(5) . ? C24 C25 1.505(5) . ? C25 C27 1.522(5) . ? C25 C26 1.537(5) . ? C28 C29 1.397(5) . ? C30 C31 1.391(5) . ? C30 C35 1.394(5) . ? C31 C32 1.386(5) . ? C32 C33 1.375(5) . ? C33 C34 1.386(5) . ? C34 C35 1.385(5) . ? C36 C41 1.383(5) . ? C36 C37 1.396(5) . ? C37 C38 1.381(5) . ? C38 C39 1.386(5) . ? C39 C40 1.376(5) . ? C40 C41 1.382(5) . ? C1A_1 C1A_1 1.365(9) 2_757 ? C1A_1 C2A_1 1.381(6) . ? C2A_1 C3A_1 1.379(6) . ? C3A_1 C3A_1 1.347(8) 2_757 ? 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 C1 Ru1 C22 93.91(14) . . ? C1 Ru1 C29 146.76(14) . . ? C22 Ru1 C29 66.05(13) . . ? C1 Ru1 C21 111.68(14) . . ? C22 Ru1 C21 36.99(13) . . ? C29 Ru1 C21 37.22(13) . . ? C1 Ru1 C28 167.50(14) . . ? C22 Ru1 C28 77.43(14) . . ? C29 Ru1 C28 36.47(13) . . ? C21 Ru1 C28 66.50(13) . . ? C1 Ru1 C23 103.16(14) . . ? C22 Ru1 C23 36.71(13) . . ? C29 Ru1 C23 77.02(14) . . ? C21 Ru1 C23 66.30(13) . . ? C28 Ru1 C23 64.52(13) . . ? C1 Ru1 C24 131.70(14) . . ? C22 Ru1 C24 65.47(13) . . ? C29 Ru1 C24 65.64(13) . . ? C21 Ru1 C24 78.40(13) . . ? C28 Ru1 C24 36.30(13) . . ? C23 Ru1 C24 35.48(12) . . ? C1 Ru1 P2 81.42(11) . . ? C22 Ru1 P2 133.15(10) . . ? C29 Ru1 P2 93.22(10) . . ? C21 Ru1 P2 102.05(10) . . ? C28 Ru1 P2 111.08(10) . . ? C23 Ru1 P2 168.32(10) . . ? C24 Ru1 P2 144.85(10) . . ? C1 Ru1 S1 75.26(10) . . ? C22 Ru1 S1 142.21(10) . . ? C29 Ru1 S1 136.72(10) . . ? C21 Ru1 S1 172.38(10) . . ? C28 Ru1 S1 106.03(10) . . ? C23 Ru1 S1 109.71(10) . . ? C24 Ru1 S1 94.66(9) . . ? P2 Ru1 S1 81.77(3) . . ? P1 S1 Ru1 83.66(4) . . ? C1 P1 C2 119.84(18) . . ? C1 P1 C8 110.84(17) . . ? C2 P1 C8 106.71(17) . . ? C1 P1 S1 96.15(13) . . ? C2 P1 S1 110.14(13) . . ? C8 P1 S1 113.08(13) . . ? S2 C1 P1 126.4(2) . . ? S2 C1 Ru1 122.99(19) . . ? P1 C1 Ru1 98.35(16) . . ? O2 S2 O1 117.41(15) . . ? O2 S2 C1 113.03(17) . . ? O1 S2 C1 105.88(16) . . ? O2 S2 C14 108.29(16) . . ? O1 S2 C14 107.05(16) . . ? C1 S2 C14 104.26(17) . . ? O3 P2 C30 105.43(15) . . ? O3 P2 C36 106.30(16) . . ? C30 P2 C36 101.34(16) . . ? O3 P2 Ru1 117.53(10) . . ? C30 P2 Ru1 111.44(12) . . ? C36 P2 Ru1 113.29(12) . . ? C7 C2 C3 119.0(3) . . ? C7 C2 P1 124.3(3) . . ? C3 C2 P1 116.1(3) . . ? C4 C3 C2 120.6(4) . . ? C5 C4 C3 119.7(4) . . ? C6 C5 C4 120.3(4) . . ? C5 C6 C7 120.5(4) . . ? C2 C7 C6 119.9(3) . . ? C9 C8 C13 119.0(3) . . ? C9 C8 P1 119.0(3) . . ? C13 C8 P1 121.7(3) . . ? C10 C9 C8 120.2(4) . . ? C11 C10 C9 120.0(4) . . ? C10 C11 C12 120.7(4) . . ? C11 C12 C13 119.7(4) . . ? C12 C13 C8 120.3(4) . . ? C15 C14 C19 121.2(4) . . ? C15 C14 S2 120.4(3) . . ? C19 C14 S2 118.4(3) . . ? C14 C15 C16 119.0(4) . . ? C17 C16 C15 120.3(4) . . ? C16 C17 C18 120.4(4) . . ? C17 C18 C19 119.6(4) . . ? C14 C19 C18 119.4(4) . . ? C22 C21 C29 116.3(3) . . ? C22 C21 C20 121.4(3) . . ? C29 C21 C20 122.2(3) . . ? C22 C21 Ru1 69.7(2) . . ? C29 C21 Ru1 70.5(2) . . ? C20 C21 Ru1 131.9(2) . . ? C21 C22 C23 122.7(3) . . ? C21 C22 Ru1 73.3(2) . . ? C23 C22 Ru1 75.3(2) . . ? C24 C23 C22 120.0(3) . . ? C24 C23 Ru1 73.3(2) . . ? C22 C23 Ru1 68.0(2) . . ? C23 C24 C28 117.8(3) . . ? C23 C24 C25 123.8(3) . . ? C28 C24 C25 118.4(3) . . ? C23 C24 Ru1 71.2(2) . . ? C28 C24 Ru1 69.0(2) . . ? C25 C24 Ru1 133.5(2) . . ? C24 C25 C27 114.9(3) . . ? C24 C25 C26 108.7(3) . . ? C27 C25 C26 111.1(3) . . ? C29 C28 C24 121.5(3) . . ? C29 C28 Ru1 70.8(2) . . ? C24 C28 Ru1 74.7(2) . . ? C28 C29 C21 121.4(3) . . ? C28 C29 Ru1 72.8(2) . . ? C21 C29 Ru1 72.3(2) . . ? C31 C30 C35 118.0(3) . . ? C31 C30 P2 117.3(3) . . ? C35 C30 P2 124.6(3) . . ? C32 C31 C30 121.1(4) . . ? C33 C32 C31 119.3(4) . . ? C32 C33 C34 121.5(4) . . ? C32 C33 Cl1 119.2(3) . . ? C34 C33 Cl1 119.3(3) . . ? C35 C34 C33 118.3(4) . . ? C34 C35 C30 121.7(4) . . ? C41 C36 C37 118.7(3) . . ? C41 C36 P2 123.6(3) . . ? C37 C36 P2 117.7(3) . . ? C38 C37 C36 120.8(4) . . ? C37 C38 C39 119.0(4) . . ? C40 C39 C38 121.1(4) . . ? C40 C39 Cl2 119.3(3) . . ? C38 C39 Cl2 119.6(3) . . ? C39 C40 C41 119.3(4) . . ? C40 C41 C36 121.0(4) . . ? C1A_1 C1A_1 C2A_1 119.9(3) 2_757 . ? C3A_1 C2A_1 C1A_1 119.7(4) . . ? C3A_1 C3A_1 C2A_1 120.3(3) 2_757 . ? _refine_diff_density_max 0.417 _refine_diff_density_min -0.428 _refine_diff_density_rms 0.094 _shelx_res_file ; test.res created by SHELXL-2014/7 TITL test in C2/c CELL 0.71073 27.1653 13.0735 25.3943 90.000 118.508 90.000 ZERR 8.00 0.0028 0.0013 0.0040 0.000 0.003 0.000 LATT 7 SYMM -X, Y, 0.5-Z SFAC C H O P S CL RU UNIT 352 328 24 16 16 16 8 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP -173.000 SIZE 0.073 0.178 0.186 L.S. 4 BOND FMAP 2 omit -3 50 omit -2 0 2 omit -1 1 2 omit 3 1 0 omit 1 1 2 omit 2 0 0 omit 1 1 0 omit 1 1 1 omit -3 1 1 omit 0 0 2 omit -3 1 2 omit -3 1 4 omit -1 1 1 PLAN 20 acta WGHT 0.024300 7.720000 FVAR 0.04733 MOLE 1 RU1 7 0.834270 0.995706 0.851628 11.00000 0.01126 0.01069 = 0.01192 0.00122 0.00607 -0.00077 H1 2 0.824566 0.879499 0.923238 11.00000 0.01611 CL1 6 0.650557 1.368781 0.898639 11.00000 0.03910 0.02062 = 0.04618 -0.00785 0.03114 0.00280 S1 5 0.820686 0.823209 0.809278 11.00000 0.01583 0.01443 = 0.01114 -0.00049 0.00557 -0.00071 P1 4 0.868995 0.781343 0.895533 11.00000 0.01254 0.01104 = 0.01242 -0.00093 0.00586 -0.00123 O1 3 0.867838 1.021146 1.008447 11.00000 0.02375 0.01355 = 0.02070 -0.00513 0.01375 -0.00035 C1 1 0.858042 0.894206 0.927546 11.00000 0.01214 0.01263 = 0.01058 0.00276 0.00585 -0.00127 CL2 6 0.552432 0.864798 0.577801 11.00000 0.01629 0.02609 = 0.02207 -0.00496 0.00313 -0.00132 S2 5 0.897460 0.934324 1.001729 11.00000 0.01381 0.01360 = 0.01221 -0.00112 0.00649 -0.00215 P2 4 0.744542 0.964300 0.840644 11.00000 0.01222 0.01274 = 0.01470 0.00126 0.00738 0.00044 O2 3 0.956133 0.947697 1.019542 11.00000 0.01302 0.02085 = 0.01521 -0.00308 0.00688 -0.00532 C2 1 0.938159 0.749478 0.908571 11.00000 0.01283 0.01682 = 0.01615 0.00220 0.00859 0.00104 O3 3 0.739500 0.883753 0.880863 11.00000 0.01552 0.01486 = 0.01866 0.00560 0.01102 -0.00077 C3 1 0.943382 0.657788 0.883490 11.00000 0.02025 0.01983 = 0.02789 -0.00494 0.01270 -0.00537 AFIX 43 H3 2 0.912385 0.612403 0.865536 11.00000 -1.20000 AFIX 0 C4 1 0.993389 0.632359 0.884542 11.00000 0.02954 0.01627 = 0.04345 -0.00776 0.02493 -0.00064 AFIX 43 H4 2 0.996695 0.569657 0.867580 11.00000 -1.20000 AFIX 0 C5 1 1.038285 0.698400 0.910292 11.00000 0.01502 0.02647 = 0.02819 0.00362 0.01417 0.00548 AFIX 43 H5 2 1.072550 0.681198 0.910946 11.00000 -1.20000 AFIX 0 C6 1 1.033710 0.788943 0.935004 11.00000 0.01316 0.02202 = 0.01655 -0.00099 0.00547 -0.00147 AFIX 43 H6 2 1.064799 0.834196 0.952497 11.00000 -1.20000 AFIX 0 C7 1 0.983811 0.814923 0.934608 11.00000 0.01894 0.01493 = 0.01111 -0.00097 0.00705 0.00083 AFIX 43 H7 2 0.981043 0.877373 0.952144 11.00000 -1.20000 REM ##### AFIX 0 C8 1 0.842534 0.670387 0.916375 11.00000 0.01981 0.00972 = 0.01421 -0.00614 0.00960 -0.00074 C9 1 0.784786 0.653961 0.888643 11.00000 0.01979 0.01371 = 0.01891 -0.00145 0.01130 0.00014 AFIX 43 H9 2 0.760355 0.697115 0.856714 11.00000 -1.20000 AFIX 0 C10 1 0.762943 0.574805 0.907557 11.00000 0.02239 0.02469 = 0.03046 -0.00433 0.01788 -0.00588 AFIX 43 H10 2 0.723616 0.563903 0.888619 11.00000 -1.20000 AFIX 0 C11 1 0.798211 0.512167 0.953695 11.00000 0.03544 0.01598 = 0.03005 -0.00309 0.02475 -0.00938 AFIX 43 H11 2 0.783074 0.457358 0.965988 11.00000 -1.20000 AFIX 0 C12 1 0.855449 0.528054 0.982394 11.00000 0.03642 0.01900 = 0.01343 0.00045 0.01117 0.00105 AFIX 43 H12 2 0.879405 0.485580 1.014978 11.00000 -1.20000 AFIX 0 C13 1 0.877779 0.606270 0.963427 11.00000 0.02115 0.01789 = 0.01691 -0.00467 0.01044 -0.00549 AFIX 43 H13 2 0.917177 0.616311 0.982485 11.00000 -1.20000 AFIX 0 C14 1 0.891136 0.833162 1.044253 11.00000 0.01983 0.01633 = 0.00966 -0.00286 0.00946 -0.00619 C15 1 0.936966 0.773610 1.080119 11.00000 0.01671 0.02154 = 0.01860 0.00198 0.00982 0.00079 AFIX 43 H15 2 0.972697 0.788442 1.083767 11.00000 -1.20000 AFIX 0 C16 1 0.930125 0.691886 1.110729 11.00000 0.02173 0.02671 = 0.01934 0.00630 0.00738 0.00282 AFIX 43 H16 2 0.961343 0.650249 1.135545 11.00000 -1.20000 AFIX 0 C17 1 0.878036 0.670636 1.105324 11.00000 0.02855 0.02131 = 0.01642 0.00034 0.01210 -0.00572 AFIX 43 H17 2 0.873496 0.613532 1.125745 11.00000 -1.20000 AFIX 0 C18 1 0.832424 0.732125 1.070302 11.00000 0.02098 0.02803 = 0.02075 0.00164 0.01401 -0.00568 AFIX 43 H18 2 0.796871 0.718163 1.067346 11.00000 -1.20000 AFIX 0 C19 1 0.839004 0.814183 1.039593 11.00000 0.01835 0.02474 = 0.01674 -0.00190 0.01003 0.00248 AFIX 43 H19 2 0.808056 0.856994 1.015582 11.00000 -1.20000 AFIX 0 C20 1 0.831841 1.221668 0.919643 11.00000 0.02292 0.01236 = 0.02942 0.00018 0.01515 -0.00237 AFIX 137 H20A 2 0.857322 1.280005 0.936339 11.00000 -1.50000 H20B 2 0.834446 1.178287 0.952350 11.00000 -1.50000 H20C 2 0.793337 1.246556 0.896107 11.00000 -1.50000 AFIX 0 C21 1 0.847873 1.160360 0.879843 11.00000 0.01665 0.00614 = 0.02199 -0.00142 0.01157 -0.00543 C22 1 0.899588 1.108699 0.903215 11.00000 0.01574 0.01242 = 0.01683 0.00431 0.00757 -0.00497 AFIX 13 H22 2 0.921907 1.099808 0.947618 11.00000 -1.20000 AFIX 0 C23 1 0.918467 1.059732 0.866355 11.00000 0.01529 0.01094 = 0.02113 0.00453 0.01034 -0.00179 AFIX 13 H23 2 0.952524 1.015295 0.885291 11.00000 -1.20000 AFIX 0 C24 1 0.883430 1.054736 0.804061 11.00000 0.01785 0.00882 = 0.01960 0.00060 0.01223 -0.00674 C25 1 0.900383 1.006759 0.761257 11.00000 0.02011 0.01943 = 0.01986 -0.00268 0.01171 -0.00487 AFIX 13 H25 2 0.866735 0.970808 0.729667 11.00000 -1.20000 AFIX 0 C26 1 0.915720 1.092268 0.730130 11.00000 0.04254 0.03337 = 0.02971 0.00421 0.02850 0.00111 AFIX 137 H26A 2 0.950399 1.125619 0.759316 11.00000 -1.50000 H26B 2 0.885397 1.142748 0.713480 11.00000 -1.50000 H26C 2 0.921144 1.062957 0.697748 11.00000 -1.50000 AFIX 0 C27 1 0.947233 0.928173 0.789224 11.00000 0.02769 0.02842 = 0.02554 -0.00178 0.01828 0.00036 AFIX 137 H27A 2 0.935825 0.873123 0.807297 11.00000 -1.50000 H27B 2 0.981116 0.961155 0.820180 11.00000 -1.50000 H27C 2 0.954921 0.899644 0.758202 11.00000 -1.50000 AFIX 0 C28 1 0.829839 1.102017 0.780088 11.00000 0.01667 0.01367 = 0.01530 0.00097 0.00807 -0.00359 AFIX 13 H28 2 0.801663 1.088268 0.737434 11.00000 -1.20000 AFIX 0 C29 1 0.812829 1.154153 0.816681 11.00000 0.01408 0.00946 = 0.02196 0.00529 0.00666 -0.00290 AFIX 13 H29 2 0.773031 1.177394 0.799173 11.00000 -1.20000 AFIX 0 C30 1 0.713845 1.080503 0.852956 11.00000 0.00956 0.01667 = 0.01317 -0.00139 0.00680 -0.00250 C31 1 0.718960 1.094716 0.909643 11.00000 0.01053 0.02030 = 0.01413 0.00213 0.00456 -0.00160 AFIX 43 H31 2 0.736349 1.043298 0.939296 11.00000 -1.20000 AFIX 0 C32 1 0.699088 1.182706 0.923555 11.00000 0.02629 0.02561 = 0.01790 -0.00539 0.01609 -0.00506 AFIX 43 H32 2 0.702469 1.191323 0.962292 11.00000 -1.20000 AFIX 0 C33 1 0.674431 1.257379 0.880693 11.00000 0.01813 0.01398 = 0.02903 -0.00378 0.01452 -0.00012 C34 1 0.668133 1.245959 0.823537 11.00000 0.01775 0.01668 = 0.02597 0.00208 0.01307 0.00238 AFIX 43 H34 2 0.651253 1.298208 0.794323 11.00000 -1.20000 AFIX 0 C35 1 0.687072 1.156443 0.810090 11.00000 0.01566 0.02060 = 0.01638 0.00003 0.00997 -0.00134 AFIX 43 H35 2 0.681677 1.146533 0.770624 11.00000 -1.20000 MOLE 2 REM ##### REM ##### REM ##### REM ##### REM ##### AFIX 0 C36 1 0.692468 0.930948 0.763642 11.00000 0.01150 0.01147 = 0.01606 0.00121 0.00787 0.00470 C37 1 0.646139 0.873456 0.755746 11.00000 0.01888 0.02216 = 0.02003 -0.00125 0.01050 -0.00124 AFIX 43 H37 2 0.643989 0.848933 0.789806 11.00000 -1.20000 AFIX 0 C38 1 0.603382 0.851788 0.699011 11.00000 0.01599 0.02372 = 0.02647 -0.00545 0.01038 -0.00981 AFIX 43 H38 2 0.571736 0.813260 0.693859 11.00000 -1.20000 AFIX 0 C39 1 0.607346 0.887100 0.649722 11.00000 0.00916 0.01554 = 0.01792 -0.00238 0.00238 0.00510 C40 1 0.653867 0.939799 0.656520 11.00000 0.02229 0.02057 = 0.01487 0.00551 0.00764 0.00013 AFIX 43 H40 2 0.656848 0.961034 0.622374 11.00000 -1.20000 AFIX 0 C41 1 0.696210 0.961521 0.713525 11.00000 0.01522 0.01488 = 0.01914 0.00148 0.00569 -0.00553 AFIX 43 H41 2 0.728356 0.997982 0.718362 11.00000 -1.20000 AFIX 0 RESI 1 C1A 1 0.971553 0.342866 1.232808 11.00000 0.03966 0.03373 = 0.04049 0.00482 0.01542 -0.00515 AFIX 43 H1A 2 0.951730 0.279966 1.220776 11.00000 -1.20000 AFIX 0 C2A 1 0.942852 0.434416 1.215537 11.00000 0.02004 0.04212 = 0.04309 0.01469 0.00870 -0.00019 AFIX 43 H2A 2 0.903283 0.434712 1.191339 11.00000 -1.20000 AFIX 0 C3A 1 0.971866 0.525441 1.233561 11.00000 0.03147 0.03097 = 0.03254 0.00421 0.01727 0.00428 AFIX 43 H3A 2 0.952072 0.588465 1.222737 11.00000 -1.20000 PART 0 RESI 0 PART 0 RESI 0 AFIX 0 HKLF 4 REM test in C2/c REM R1 = 0.0381 for 4877 Fo > 4sig(Fo) and 0.0738 for all 6950 data REM 494 parameters refined using 0 restraints END WGHT 0.0173 17.3281 REM Highest difference peak 0.417, deepest hole -0.428, 1-sigma level 0.094 Q1 1 0.7947 0.9997 0.8586 11.00000 0.05 0.42 Q2 1 0.8521 0.9622 1.0035 11.00000 0.05 0.40 Q3 1 0.9923 0.4409 0.8799 11.00000 0.05 0.39 Q4 1 0.8872 0.9843 0.8994 11.00000 0.05 0.38 Q5 1 0.9643 0.7636 0.9391 11.00000 0.05 0.37 Q6 1 0.6989 0.9178 0.7390 11.00000 0.05 0.37 Q7 1 0.6898 0.8615 0.8019 11.00000 0.05 0.37 Q8 1 0.8252 0.5390 0.9783 11.00000 0.05 0.36 Q9 1 1.0544 0.7637 0.8699 11.00000 0.05 0.35 Q10 1 0.6660 1.1231 0.9710 11.00000 0.05 0.35 Q11 1 0.8888 1.1265 0.6875 11.00000 0.05 0.34 Q12 1 0.9056 1.0873 0.8308 11.00000 0.05 0.34 Q13 1 0.8804 0.9022 0.9687 11.00000 0.05 0.34 Q14 1 0.8351 0.7970 0.8485 11.00000 0.05 0.34 Q15 1 0.8639 1.1685 1.0294 11.00000 0.05 0.34 Q16 1 0.6628 1.0182 0.6205 11.00000 0.05 0.33 Q17 1 0.9822 0.5987 1.1403 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4.88 2.04 0 4 -4 11.23 1.69 0 4 -4 7.08 2.21 0 4 -4 8.62 2.33 0 -4 4 7.73 2.32 0 -4 -4 8.06 2.08 0 -4 4 6.82 2.27 0 -4 4 11.42 2.44 0 -4 -4 11.70 2.22 0 -4 -4 9.32 1.68 0 -4 4 9.07 2.21 0 -4 -4 7.27 2.40 0 -4 4 9.33 1.69 0 -4 4 7.73 1.61 0 -4 -4 10.88 1.87 -2 4 6 350.74 13.11 2 4 -6 337.80 13.00 -2 4 6 343.80 12.74 2 4 -6 341.00 13.01 2 4 -6 336.55 11.37 2 -4 -6 330.64 11.52 -2 -4 6 337.11 13.05 2 -4 -6 334.89 13.23 2 -4 -6 351.17 12.91 -2 -4 6 351.44 12.99 2 -4 -6 348.55 12.70 2 -4 -6 335.42 11.56 -2 -4 6 330.27 12.85 -2 -4 6 340.63 11.31 4 4 -8 171.56 8.30 4 -4 -8 173.96 8.52 4 -4 -8 175.85 6.12 4 -4 -8 173.04 8.22 4 -4 -8 160.99 6.07 -4 -4 8 155.96 8.07 -6 4 10 64.88 2.89 6 4 -10 62.46 5.55 -6 4 10 70.93 4.93 -6 -4 10 63.82 5.52 6 -4 -10 64.64 2.97 6 -4 -10 65.33 2.99 6 -4 -10 57.53 5.64 -8 4 12 6.00 1.19 -8 4 12 6.28 2.48 8 4 -12 1.53 2.81 8 4 -12 3.45 0.76 -8 -4 12 -0.39 2.84 8 -4 -12 4.60 2.43 8 -4 -12 5.35 1.29 10 4 -14 126.37 8.04 10 4 -14 150.12 5.23 -10 4 14 144.78 8.29 -10 4 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4.78 5 7 2 48.65 4.83 -5 7 -2 44.37 4.26 5 7 2 43.78 4.25 5 -7 2 42.29 4.60 -5 -7 -2 43.77 4.59 -5 -7 -2 49.60 4.62 -3 7 -4 117.29 6.34 3 7 4 107.54 6.24 3 7 4 113.38 6.51 -3 7 -4 96.83 6.38 3 -7 4 110.45 6.14 3 -7 4 111.19 6.28 -3 -7 -4 127.25 7.02 -3 -7 -4 119.52 6.29 3 -7 4 127.30 7.24 -1 7 -6 89.34 5.05 1 7 6 99.61 6.04 -1 7 -6 80.44 6.01 1 -7 6 89.10 5.03 -1 -7 -6 82.06 5.03 1 -7 6 81.42 4.93 -1 -7 -6 84.14 6.26 -1 -7 -6 89.08 5.05 1 -7 6 92.88 6.29 -1 7 8 184.17 8.96 1 7 -8 187.34 7.42 1 7 -8 173.09 9.17 -1 -7 8 173.64 7.25 -1 -7 8 180.52 7.28 -1 -7 8 185.95 9.48 1 -7 -8 170.32 9.45 1 -7 -8 172.87 7.54 1 -7 -8 192.14 7.71 3 7 -10 150.04 8.75 -3 7 10 151.87 8.35 3 7 -10 158.13 5.94 -3 -7 10 156.08 8.90 3 -7 -10 160.63 6.57 3 -7 -10 156.69 6.63 3 -7 -10 157.93 9.21 -5 7 12 306.43 13.07 5 7 -12 274.46 13.21 -5 -7 12 294.54 13.45 5 -7 -12 286.88 10.21 5 -7 -12 286.14 10.26 5 -7 -12 299.93 13.74 7 7 -14 27.59 5.00 -7 7 14 32.55 4.94 7 -7 -14 36.01 2.05 7 -7 -14 34.06 2.02 7 -7 -14 34.18 2.01 7 -7 -14 32.65 5.38 -7 -7 14 33.83 5.32 -9 7 16 19.19 4.36 -9 -7 16 23.07 4.97 9 -7 -16 22.08 5.03 11 7 -18 22.27 5.22 -11 7 18 24.45 5.12 11 -7 -18 28.73 5.83 -11 -7 18 21.92 5.27 13 7 -20 57.37 7.35 -13 7 20 66.43 7.61 -13 -7 20 49.38 7.26 13 -7 -20 55.45 7.66 15 7 -22 2.26 4.85 -15 7 22 -8.71 3.35 15 -7 -22 2.29 4.76 -15 -7 22 0.13 4.46 -17 7 24 6.60 4.53 17 7 -24 12.99 5.09 17 -7 -24 0.52 4.53 -17 -7 24 3.99 5.28 19 7 -26 26.01 6.41 -19 7 26 19.89 6.14 19 -7 -26 22.20 6.39 26 8 -19 10.24 6.30 -26 8 19 5.29 4.66 26 -8 -19 3.67 5.44 24 8 -17 7.66 4.94 -24 8 17 3.98 4.16 24 -8 -17 5.37 5.52 -24 -8 17 4.05 5.48 -22 8 15 6.01 4.15 22 8 -15 -5.49 3.91 22 -8 -15 -5.83 4.19 -22 -8 15 0.33 5.00 20 8 -13 4.24 4.38 -20 8 13 2.98 3.87 -20 -8 13 1.56 4.58 20 -8 -13 -4.61 4.26 18 8 -11 -9.02 3.20 -18 8 11 -5.43 3.11 18 8 -11 1.08 1.95 -18 -8 11 3.10 4.36 18 -8 -11 1.99 3.28 16 8 -9 6.67 2.32 -16 8 9 7.54 1.63 -16 8 9 11.63 3.85 16 8 -9 10.16 4.36 16 -8 -9 -0.88 4.00 -16 -8 9 15.68 4.58 -14 8 7 3.67 1.81 -14 8 7 -3.46 2.86 14 8 -7 1.46 2.07 14 8 -7 5.05 3.78 14 -8 -7 -0.94 3.65 -14 -8 7 3.81 3.07 14 -8 -7 3.37 1.78 -14 -8 7 0.49 2.14 -14 -8 7 -0.81 1.99 -12 8 5 6.86 2.11 -12 8 5 9.24 3.39 12 8 -5 6.57 2.25 12 8 -5 7.36 3.71 -12 -8 5 5.72 2.41 12 -8 -5 5.63 2.15 12 -8 -5 3.06 3.70 -12 -8 5 4.71 3.47 10 8 -3 28.86 4.70 10 8 -3 34.86 3.66 -10 8 3 34.26 4.67 -10 8 3 33.68 3.54 -10 -8 3 42.32 4.10 -10 -8 3 32.57 4.31 10 -8 -3 30.72 4.86 10 -8 -3 30.23 3.43 8 8 -1 4.89 2.51 -8 8 1 4.02 2.87 -8 8 1 4.44 2.64 8 8 -1 6.93 3.05 -8 -8 1 1.01 2.25 8 -8 -1 4.95 3.18 -8 -8 1 4.55 2.41 -6 8 -1 3.96 2.71 6 8 1 3.11 2.59 -6 8 -1 8.73 3.21 -6 -8 -1 7.49 2.78 6 -8 1 7.20 3.05 -6 -8 -1 5.32 2.70 4 8 3 59.37 4.99 -4 8 -3 51.01 4.95 4 8 3 65.62 5.57 -4 8 -3 57.34 5.72 4 -8 3 56.66 5.09 4 -8 3 53.67 5.57 -4 -8 -3 56.28 5.14 2 8 5 89.17 5.50 2 8 5 77.85 5.92 -2 8 -5 100.34 5.46 -2 8 -5 82.41 6.37 -2 -8 -5 90.52 5.39 2 -8 5 83.25 5.26 2 -8 5 80.21 6.87 -2 -8 -5 85.35 6.24 2 -8 5 90.88 5.60 0 8 -7 10.57 3.36 0 8 7 11.86 3.23 0 8 -7 11.00 2.29 0 -8 7 12.84 2.40 0 -8 -7 14.52 3.76 0 -8 -7 20.40 2.94 0 -8 -7 10.64 2.36 0 -8 7 7.40 2.25 0 -8 7 13.54 3.61 2 8 -9 12.88 3.87 -2 8 9 12.89 3.48 2 8 -9 12.94 1.99 2 -8 -9 12.02 2.23 -2 -8 9 13.24 2.06 2 -8 -9 15.70 4.12 2 -8 -9 14.42 2.44 -2 -8 9 15.86 2.20 -2 -8 9 11.43 3.58 -4 8 11 28.24 4.85 4 8 -11 26.91 4.72 -4 -8 11 29.26 4.91 4 -8 -11 30.91 2.80 4 -8 -11 29.32 5.14 -4 -8 11 28.23 1.61 -4 -8 11 28.81 1.66 4 -8 -11 28.10 2.72 6 8 -13 14.44 4.25 -6 8 13 11.22 3.84 6 -8 -13 14.79 1.55 -6 -8 13 13.32 4.28 6 -8 -13 14.06 4.53 -8 8 15 4.71 3.61 -8 -8 15 2.93 3.83 8 -8 -15 1.41 3.83 -10 8 17 -3.19 3.36 10 8 -17 -0.62 3.87 10 -8 -17 0.20 3.93 -10 -8 17 -0.22 3.94 12 8 -19 4.05 4.26 -12 8 19 1.51 3.90 -12 -8 19 5.10 4.49 12 -8 -19 4.10 4.65 -14 8 21 14.24 5.05 14 8 -21 20.25 5.64 14 -8 -21 3.33 4.84 -14 -8 21 26.16 6.27 -16 8 23 28.11 6.23 16 8 -23 37.09 6.68 -16 -8 23 30.94 6.82 16 -8 -23 39.61 7.28 18 8 -25 8.09 5.38 -18 8 25 9.45 5.49 -18 -8 25 10.36 5.88 18 -8 -25 5.07 5.29 -25 9 18 26.09 6.09 25 9 -18 27.72 6.44 -25 -9 18 7.69 5.44 25 -9 -18 8.41 5.96 -23 9 16 26.75 5.88 23 9 -16 21.61 6.18 -23 -9 16 26.44 6.18 23 -9 -16 24.75 6.76 21 9 -14 68.27 8.46 -21 9 14 79.22 8.35 21 -9 -14 76.29 9.21 -21 -9 14 82.52 9.01 19 9 -12 83.32 8.92 -19 9 12 78.32 7.96 -19 -9 12 86.14 8.36 19 -9 -12 68.24 8.72 17 9 -10 19.25 5.20 -17 9 10 9.63 4.26 17 -9 -10 20.21 5.75 -17 -9 10 11.11 4.18 -15 9 8 1.16 3.45 -15 9 8 2.03 1.59 15 9 -8 2.32 2.16 15 9 -8 -0.41 3.77 -15 -9 8 4.67 4.04 15 -9 -8 -0.95 4.04 -15 -9 8 4.18 2.13 13 9 -6 37.47 3.84 13 9 -6 41.33 5.94 -13 9 6 35.81 3.25 -13 9 6 32.22 5.61 13 -9 -6 39.78 3.51 13 -9 -6 26.53 5.57 -13 -9 6 36.23 3.88 -13 -9 6 28.76 4.87 -11 9 4 14.25 4.07 11 9 -4 20.44 4.58 -11 9 4 12.93 2.80 -11 -9 4 13.38 3.65 -11 -9 4 15.50 3.02 11 -9 -4 13.93 2.89 11 -9 -4 14.38 4.42 -9 9 2 5.74 3.43 -9 9 2 6.41 2.75 9 9 -2 10.43 3.67 9 -9 -2 4.25 4.27 -9 -9 2 11.77 3.00 -9 -9 2 14.65 3.89 7 9 0 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15.33 3.75 7 5 7 25.78 4.06 -7 5 -7 19.75 4.04 7 5 7 18.64 2.64 -7 -5 -7 22.39 3.71 -7 -5 -7 19.18 2.71 7 -5 7 15.78 3.57 7 -5 7 19.62 3.17 5 5 9 4.57 2.88 5 5 9 3.20 1.97 -5 5 -9 2.91 3.05 -5 5 -9 4.98 3.34 5 -5 9 2.04 2.49 5 -5 9 6.04 2.40 -5 -5 -9 2.78 2.24 -5 -5 -9 5.55 2.22 -3 5 -11 8.91 3.63 -3 5 -11 9.50 3.71 3 5 11 7.92 2.51 3 5 11 13.23 3.57 -3 -5 -11 12.24 2.68 3 -5 11 11.82 3.19 -1 5 -13 38.49 4.92 1 5 13 40.73 4.77 -1 5 -13 37.65 4.08 -1 5 -13 36.80 3.91 -1 5 -13 27.35 4.94 1 5 13 39.03 4.31 1 -5 13 44.75 3.92 1 -5 13 39.55 4.81 -1 -5 -13 33.05 5.10 -1 -5 -13 26.09 3.90 1 5 -15 22.81 3.33 1 5 -15 19.02 3.98 1 5 -15 23.06 4.85 -1 5 15 26.30 3.83 1 5 -15 27.94 3.52 -1 -5 15 17.86 2.92 1 -5 -15 20.44 4.61 1 -5 -15 23.03 3.71 -1 -5 15 23.18 4.15 3 5 -17 4.40 4.08 -3 5 17 -1.52 3.21 3 5 -17 6.58 2.48 3 5 -17 5.09 2.44 3 -5 -17 2.51 2.65 3 -5 -17 0.45 3.44 3 -5 -17 3.08 2.97 -3 -5 17 3.06 2.00 -3 -5 17 2.60 3.30 5 5 -19 17.33 2.89 -5 5 19 28.94 4.76 5 5 -19 11.81 4.76 -5 -5 19 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5.56 20 -4 11 4.44 4.88 -20 -4 -11 7.58 5.39 18 4 13 -4.20 3.91 -18 4 -13 -1.32 4.86 -18 -4 -13 0.80 4.97 18 -4 13 4.80 4.46 -16 4 -15 1.98 5.06 16 4 15 -1.27 4.26 -16 4 -15 -1.15 4.53 -16 -4 -15 -4.06 4.54 16 -4 15 3.12 4.43 -14 4 -17 23.77 6.66 14 4 17 25.00 6.20 -14 4 -17 23.93 6.73 -14 -4 -17 25.44 6.59 14 -4 17 17.02 5.13 -12 4 -19 5.48 5.49 -12 4 -19 -2.10 4.68 12 4 19 3.42 4.72 -12 -4 -19 1.31 4.99 12 -4 19 10.38 5.16 10 4 21 0.06 4.30 -10 4 -21 -5.43 4.92 -10 4 -21 12.18 5.77 10 -4 21 7.26 5.07 -10 -4 -21 5.14 4.95 23 5 8 27.13 6.29 -23 5 -8 20.87 6.33 23 -5 8 16.02 5.83 -23 -5 -8 23.92 6.67 21 5 10 37.64 6.98 -21 5 -10 28.04 6.94 -21 -5 -10 27.35 7.17 -19 5 -12 12.68 6.00 19 5 12 23.67 6.23 -19 5 -12 25.42 6.89 -19 -5 -12 22.50 6.67 19 -5 12 14.09 5.57 -17 5 -14 18.55 6.37 17 5 14 13.84 5.49 -17 5 -14 26.80 6.95 17 -5 14 18.54 5.44 -17 -5 -14 5.47 6.20 -15 5 -16 8.07 5.85 -15 5 -16 21.93 6.50 15 5 16 10.90 5.21 -15 -5 -16 7.24 5.54 15 -5 16 12.80 5.66 13 5 18 -3.60 4.15 -13 5 -18 -0.59 4.89 -13 5 -18 -11.27 4.04 -13 -5 -18 3.23 5.89 13 -5 18 0.09 4.60 -11 5 -20 16.43 6.39 -11 5 -20 8.50 5.88 11 5 20 2.70 4.71 11 -5 20 0.77 4.60 -11 -5 -20 -2.36 4.43 -20 6 -11 10.75 5.62 20 6 11 13.02 5.45 -20 6 -11 11.75 6.69 -20 -6 -11 15.30 6.34 -18 6 -13 5.58 5.45 -18 6 -13 5.56 5.38 18 6 13 14.83 5.49 -18 -6 -13 4.32 5.22 18 -6 13 15.90 6.19 -16 6 -15 12.60 6.99 -16 6 -15 13.02 6.14 16 6 15 7.20 5.25 -16 -6 -15 11.80 5.70 16 -6 15 9.74 4.79 14 6 17 2.39 4.58 -14 6 -17 11.64 6.08 14 -6 17 -5.30 3.68 -14 -6 -17 19.11 7.07 -26 0 -6 0.68 5.11 26 0 6 3.11 4.79 24 0 8 34.50 6.90 -24 0 -8 34.46 7.58 -22 0 -10 116.08 11.69 22 0 10 111.09 10.95 20 0 12 146.83 11.11 -20 0 -12 130.00 12.32 18 0 14 68.26 8.62 -18 0 -14 93.94 10.49 16 0 16 53.57 7.71 -16 0 -16 42.86 7.74 -14 0 -18 16.01 5.98 14 0 18 8.30 4.95 -12 0 -20 27.68 6.75 -12 0 -20 17.83 6.42 12 0 20 13.24 5.21 10 0 22 80.59 9.25 -10 0 -22 96.02 10.92 -10 0 -22 97.74 10.71 25 1 7 0.03 4.59 -25 1 -7 -2.62 4.75 -25 -1 -7 0.72 4.93 25 -1 7 0.22 4.62 23 1 9 -5.04 4.20 -23 1 -9 3.04 5.15 23 -1 9 4.56 4.66 -23 -1 -9 -1.87 5.07 21 1 11 -6.33 3.98 -21 1 -11 1.57 5.01 21 -1 11 -1.63 4.22 -21 -1 -11 -2.59 4.70 -19 1 -13 10.59 5.46 19 1 13 7.85 4.86 -19 -1 -13 3.74 5.48 19 -1 13 3.58 4.58 17 1 15 31.41 6.40 -17 1 -15 23.99 6.54 17 -1 15 27.25 6.30 -17 -1 -15 15.38 5.83 15 1 17 2.82 4.55 -15 1 -17 9.12 5.64 -15 -1 -17 2.25 5.10 15 -1 17 2.01 4.27 -13 1 -19 4.31 5.17 -13 1 -19 10.56 5.60 13 1 19 -2.31 4.26 13 -1 19 7.77 4.79 -13 -1 -19 0.10 4.97 -11 1 -21 4.31 5.40 -11 1 -21 -0.14 5.17 11 1 21 4.78 4.83 11 -1 21 1.11 5.31 -11 -1 -21 7.55 5.56 26 2 6 -1.62 4.54 26 -2 6 -0.89 4.59 24 2 8 -4.71 3.73 -24 2 -8 5.96 5.44 -24 -2 -8 2.77 5.16 24 -2 8 4.69 4.95 22 2 10 5.77 4.95 -22 2 -10 4.51 5.14 -22 -2 -10 3.76 5.13 22 -2 10 5.11 4.91 -20 2 -12 21.02 6.40 20 2 12 21.20 5.89 -20 -2 -12 16.90 6.21 20 -2 12 15.56 6.42 -18 2 -14 26.03 6.78 18 2 14 26.44 6.46 18 -2 14 21.43 5.75 -18 -2 -14 26.50 6.92 16 2 16 13.48 5.21 -16 2 -16 7.47 5.63 -16 -2 -16 0.89 4.95 16 -2 16 0.83 4.35 -14 2 -18 3.82 5.29 -14 2 -18 -2.84 4.65 14 2 18 2.65 4.64 14 -2 18 6.60 4.61 -14 -2 -18 -8.12 4.31 -12 2 -20 29.94 7.25 12 2 20 33.71 6.88 -12 2 -20 33.98 7.55 12 -2 20 33.27 6.40 -12 -2 -20 36.42 7.57 -10 2 -22 55.09 8.78 10 2 22 56.71 8.04 10 -2 22 62.95 8.48 25 3 7 6.17 5.05 25 -3 7 -0.98 4.87 -23 3 -9 19.82 6.46 23 3 9 24.83 6.16 -23 -3 -9 18.74 6.61 23 -3 9 27.28 7.32 21 3 11 6.71 5.05 -21 3 -11 13.16 6.67 -21 -3 -11 10.39 5.81 21 -3 11 16.96 5.55 -19 3 -13 20.44 6.34 19 3 13 17.00 5.79 19 -3 13 8.99 4.92 -19 -3 -13 14.07 5.98 17 3 15 9.14 4.97 -17 3 -15 9.66 6.47 -17 -3 -15 7.24 5.52 17 -3 15 2.32 4.27 -15 3 -17 -6.20 5.68 -15 3 -17 2.54 4.96 15 3 17 10.95 5.33 -15 -3 -17 -0.62 4.77 15 -3 17 3.67 4.32 -13 3 -19 2.41 5.15 13 3 19 7.70 5.96 -13 3 -19 -1.22 4.98 -13 -3 -19 1.72 4.96 13 -3 19 9.17 4.86 -11 3 -21 9.70 5.81 11 3 21 3.32 4.86 11 -3 21 3.98 5.09 22 4 10 5.32 4.78 -22 4 -10 6.96 6.31 22 -4 10 6.81 5.88 -22 -4 -10 0.20 4.96 20 4 12 5.70 4.95 -20 4 -12 5.83 5.31 20 -4 12 3.44 4.64 -20 -4 -12 4.41 5.49 -18 4 -14 17.10 6.34 -18 4 -14 35.53 7.25 18 4 14 11.22 5.32 -18 -4 -14 10.59 6.01 18 -4 14 13.90 6.14 16 4 16 -1.21 4.34 -16 4 -16 9.90 5.85 -16 4 -16 -0.30 4.85 16 -4 16 -2.62 4.05 -16 -4 -16 -0.21 4.72 -14 4 -18 0.39 5.15 14 4 18 3.15 4.86 -14 4 -18 -0.81 5.12 14 -4 18 2.84 5.14 -14 -4 -18 1.60 4.83 19 5 13 -3.01 4.34 -19 5 -13 -0.94 4.67 19 -5 13 -5.73 4.86 -17 5 -15 10.43 5.88 17 5 15 21.92 5.94 17 -5 15 12.12 5.18 -24 0 -9 1.58 5.16 24 0 9 3.35 5.02 22 0 11 2.47 4.62 -22 0 -11 4.31 5.47 20 0 13 9.93 5.26 -20 0 -13 0.30 5.16 -18 0 -15 -1.51 4.88 18 0 15 0.43 4.28 -16 0 -17 -5.03 4.64 16 0 17 -4.49 3.95 -14 0 -19 1.42 5.24 14 0 19 -0.53 4.06 23 1 10 9.27 5.25 -23 1 -10 8.32 5.80 23 -1 10 16.87 5.77 -23 -1 -10 2.65 6.21 21 1 12 4.38 4.79 -21 1 -12 -2.82 4.95 21 -1 12 -3.69 4.22 -21 -1 -12 -3.09 4.69 -19 1 -14 -8.82 4.19 19 1 14 -4.66 4.02 -19 -1 -14 -4.64 4.79 19 -1 14 -3.42 4.46 17 1 16 6.35 4.93 -17 1 -16 4.80 5.38 -17 -1 -16 1.08 5.02 17 -1 16 0.94 4.40 15 1 18 -2.42 4.09 -15 1 -18 -0.93 4.98 15 -1 18 -8.88 3.58 -15 -1 -18 3.07 5.12 22 2 11 0.14 4.65 -22 2 -11 -0.58 4.87 -22 -2 -11 1.25 5.29 22 -2 11 7.98 5.10 20 2 13 10.87 5.16 -20 2 -13 3.11 5.23 -20 -2 -13 8.61 5.89 20 -2 13 5.28 6.04 18 2 15 3.65 4.90 -18 2 -15 6.07 5.16 18 -2 15 -10.28 3.72 -18 -2 -15 -4.67 4.30 -16 2 -17 -6.90 4.49 16 2 17 -1.72 4.42 16 -2 17 -0.23 4.30 -16 -2 -17 4.74 5.38 19 3 14 7.99 5.15 -19 3 -14 1.40 5.36 -19 -3 -14 -3.03 4.79 19 -3 14 14.03 5.45 17 3 16 7.04 5.05 -17 3 -16 8.74 5.61 17 -3 16 3.03 4.55 -17 -3 -16 2.44 5.32 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 69957 #===END CIF_complex5a data_sad _audit_creation_method 'SHELXL-2014/7' _shelx_SHELXL_version_number '2014/7' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C43 H45 Ir O3 P2 S2' _chemical_formula_weight 928.05 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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ir' 'Ir' -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/c' _space_group_name_Hall '-P 2ybc' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 11.5779(12) _cell_length_b 19.1195(19) _cell_length_c 17.1015(17) _cell_angle_alpha 90 _cell_angle_beta 96.535(3) _cell_angle_gamma 90 _cell_volume 3761.1(7) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 9915 _cell_measurement_theta_min 4.569 _cell_measurement_theta_max 52.675 _exptl_crystal_description block _exptl_crystal_colour orange _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.639 _exptl_crystal_F_000 1864 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.307 _exptl_crystal_size_mid 0.280 _exptl_crystal_size_min 0.211 _exptl_absorpt_coefficient_mu 3.787 _shelx_estimated_absorpt_T_min 0.389 _shelx_estimated_absorpt_T_max 0.502 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.6865 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_process_details 'Sadabs 2008 (Bruker AXS, 2008)' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed tube' _diffrn_measurement_device_type 'Bruker APEX-CCD' _diffrn_measurement_method omega-scans _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 45901 _diffrn_reflns_av_unetI/netI 0.0274 _diffrn_reflns_av_R_equivalents 0.0426 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 2.130 _diffrn_reflns_theta_max 25.000 _diffrn_reflns_theta_full 25.000 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measured_fraction_theta_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_point_group_measured_fraction_full 0.999 _reflns_number_total 6633 _reflns_number_gt 5869 _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 'APEX2 ver. 2014.9 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.68A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.68A (Bruker AXS)' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_molecular_graphics 'ShelXLe (Huebschle et all, 2011)' _computing_publication_material 'SHELXL-2014/6 (Sheldrick, 2014)' _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^)+(0.0182P)^2^+2.3141P] 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 6633 _refine_ls_number_parameters 461 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0255 _refine_ls_R_factor_gt 0.0198 _refine_ls_wR_factor_ref 0.0445 _refine_ls_wR_factor_gt 0.0425 _refine_ls_goodness_of_fit_ref 1.044 _refine_ls_restrained_S_all 1.044 _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 Ir1 Ir 0.18590(2) 0.13121(2) 0.84913(2) 0.01201(4) Uani 1 1 d . . . . . S1 S 0.29917(6) 0.03603(4) 0.91414(4) 0.01368(15) Uani 1 1 d . . . . . P1 P 0.43331(6) 0.08703(4) 0.87485(4) 0.01213(15) Uani 1 1 d . . . . . O1 O 0.46313(18) 0.24474(10) 0.78349(12) 0.0253(5) Uani 1 1 d . . . . . C1 C 0.3450(2) 0.12646(14) 0.79224(16) 0.0138(6) Uani 1 1 d . . . . . H1 H 0.3304 0.0870 0.7540 0.017 Uiso 1 1 calc R U . . . S2 S 0.39712(6) 0.19403(4) 0.73529(4) 0.01765(16) Uani 1 1 d . . . . . P2 P 0.08788(6) 0.05060(4) 0.76434(4) 0.01313(15) Uani 1 1 d . . . . . O2 O 0.30182(17) 0.21892(11) 0.68178(12) 0.0271(5) Uani 1 1 d . . . . . C2 C 0.5089(2) 0.14422(14) 0.94853(16) 0.0157(6) Uani 1 1 d . . . . . O3 O -0.01259(17) 0.01876(10) 0.80020(11) 0.0198(5) Uani 1 1 d . . . . . C3 C 0.5895(3) 0.19451(15) 0.93049(17) 0.0222(7) Uani 1 1 d . . . . . H3 H 0.6012 0.2028 0.8772 0.027 Uiso 1 1 calc R U . . . C4 C 0.6520(3) 0.23200(16) 0.98965(18) 0.0252(7) Uani 1 1 d . . . . . H4 H 0.7071 0.2658 0.9771 0.030 Uiso 1 1 calc R U . . . C5 C 0.6349(3) 0.22073(16) 1.06691(18) 0.0253(7) Uani 1 1 d . . . . . H5 H 0.6763 0.2478 1.1075 0.030 Uiso 1 1 calc R U . . . C6 C 0.5580(3) 0.17040(17) 1.08530(18) 0.0286(8) Uani 1 1 d . . . . . H6 H 0.5476 0.1620 1.1388 0.034 Uiso 1 1 calc R U . . . C7 C 0.4955(3) 0.13189(15) 1.02667(17) 0.0209(7) Uani 1 1 d . . . . . H7 H 0.4431 0.0968 1.0400 0.025 Uiso 1 1 calc R U . . . C8 C 0.5436(2) 0.02852(14) 0.84586(16) 0.0142(6) Uani 1 1 d . . . . . C9 C 0.5064(3) -0.02460(15) 0.79331(17) 0.0200(7) Uani 1 1 d . . . . . H9 H 0.4259 -0.0305 0.7767 0.024 Uiso 1 1 calc R U . . . C10 C 0.5867(3) -0.06885(16) 0.76521(18) 0.0260(7) Uani 1 1 d . . . . . H10 H 0.5612 -0.1054 0.7297 0.031 Uiso 1 1 calc R U . . . C11 C 0.7027(3) -0.06004(16) 0.78853(19) 0.0272(8) Uani 1 1 d . . . . . H11 H 0.7576 -0.0899 0.7681 0.033 Uiso 1 1 calc R U . . . C12 C 0.7408(3) -0.00827(16) 0.84132(19) 0.0265(7) Uani 1 1 d . . . . . H12 H 0.8215 -0.0028 0.8574 0.032 Uiso 1 1 calc R U . . . C13 C 0.6613(2) 0.03583(15) 0.87094(17) 0.0187(6) Uani 1 1 d . . . . . H13 H 0.6872 0.0709 0.9082 0.022 Uiso 1 1 calc R U . . . C14 C 0.4924(2) 0.15008(15) 0.67703(16) 0.0181(7) Uani 1 1 d . . . . . C15 C 0.4469(3) 0.12580(17) 0.60411(18) 0.0281(8) Uani 1 1 d . . . . . H15 H 0.3679 0.1344 0.5849 0.034 Uiso 1 1 calc R U . . . C16 C 0.5183(3) 0.08866(19) 0.55908(19) 0.0347(8) Uani 1 1 d . . . . . H16 H 0.4883 0.0716 0.5087 0.042 Uiso 1 1 calc R U . . . C17 C 0.6327(3) 0.07650(19) 0.58749(19) 0.0363(9) Uani 1 1 d . . . . . H17 H 0.6811 0.0508 0.5565 0.044 Uiso 1 1 calc R U . . . C18 C 0.6777(3) 0.10115(17) 0.66009(18) 0.0282(8) Uani 1 1 d . . . . . H18 H 0.7567 0.0924 0.6791 0.034 Uiso 1 1 calc R U . . . C19 C 0.6075(3) 0.13884(15) 0.70570(18) 0.0219(7) Uani 1 1 d . . . . . H19 H 0.6381 0.1566 0.7557 0.026 Uiso 1 1 calc R U . . . C20 C 0.1123(2) 0.23770(14) 0.84325(17) 0.0186(6) Uani 1 1 d . . . . . C21 C 0.1976(3) 0.23719(15) 0.91268(18) 0.0219(5) Uani 1 1 d . . . . . C22 C 0.1630(3) 0.18644(15) 0.96505(17) 0.0219(5) Uani 1 1 d . . . . . C23 C 0.0565(3) 0.15382(15) 0.92991(17) 0.0187(7) Uani 1 1 d . . . . . C24 C 0.0228(2) 0.18880(15) 0.85696(17) 0.0186(6) Uani 1 1 d . . . . . C25 C 0.1054(3) 0.29180(15) 0.78040(19) 0.0299(8) Uani 1 1 d . . . . . H25A H 0.1815 0.2967 0.7611 0.045 Uiso 1 1 calc R U . . . H25B H 0.0826 0.3366 0.8018 0.045 Uiso 1 1 calc R U . . . H25C H 0.0475 0.2777 0.7369 0.045 Uiso 1 1 calc R U . . . C26 C 0.2966(3) 0.28718(17) 0.9271(2) 0.0347(9) Uani 1 1 d . . . . . H26A H 0.3324 0.2937 0.8784 0.052 Uiso 1 1 calc R U . . . H26B H 0.3544 0.2685 0.9681 0.052 Uiso 1 1 calc R U . . . H26C H 0.2680 0.3322 0.9443 0.052 Uiso 1 1 calc R U . . . C27 C 0.2191(3) 0.16874(19) 1.04542(18) 0.0341(9) Uani 1 1 d . . . . . H27A H 0.2383 0.1188 1.0479 0.051 Uiso 1 1 calc R U . . . H27B H 0.1655 0.1795 1.0842 0.051 Uiso 1 1 calc R U . . . H27C H 0.2904 0.1963 1.0570 0.051 Uiso 1 1 calc R U . . . C28 C -0.0146(3) 0.10208(17) 0.96920(19) 0.0288(8) Uani 1 1 d . . . . . H28A H -0.0485 0.0680 0.9303 0.043 Uiso 1 1 calc R U . . . H28B H -0.0770 0.1266 0.9922 0.043 Uiso 1 1 calc R U . . . H28C H 0.0350 0.0777 1.0108 0.043 Uiso 1 1 calc R U . . . C29 C -0.0932(3) 0.18049(16) 0.80971(18) 0.0242(7) Uani 1 1 d . . . . . H29A H -0.0884 0.1963 0.7557 0.036 Uiso 1 1 calc R U . . . H29B H -0.1510 0.2086 0.8332 0.036 Uiso 1 1 calc R U . . . H29C H -0.1162 0.1312 0.8092 0.036 Uiso 1 1 calc R U . . . C30 C 0.0312(2) 0.08548(15) 0.66624(16) 0.0149(6) Uani 1 1 d . . . . . C31 C -0.0409(2) 0.04389(15) 0.61188(16) 0.0162(6) Uani 1 1 d . . . . . C32 C -0.0771(3) -0.02956(15) 0.62951(17) 0.0213(7) Uani 1 1 d . . . . . H32A H -0.1336 -0.0464 0.5866 0.032 Uiso 1 1 calc R U . . . H32B H -0.1124 -0.0300 0.6789 0.032 Uiso 1 1 calc R U . . . H32C H -0.0087 -0.0602 0.6345 0.032 Uiso 1 1 calc R U . . . C33 C -0.0787(3) 0.07259(16) 0.53830(17) 0.0217(7) Uani 1 1 d . . . . . H33 H -0.1249 0.0448 0.5007 0.026 Uiso 1 1 calc R U . . . C34 C -0.0510(3) 0.14024(16) 0.51846(18) 0.0259(7) Uani 1 1 d . . . . . H34 H -0.0789 0.1587 0.4683 0.031 Uiso 1 1 calc R U . . . C35 C 0.0173(3) 0.18050(17) 0.57214(18) 0.0270(7) Uani 1 1 d . . . . . H35 H 0.0359 0.2273 0.5595 0.032 Uiso 1 1 calc R U . . . C36 C 0.0591(3) 0.15256(15) 0.64484(17) 0.0201(7) Uani 1 1 d . . . . . H36 H 0.1081 0.1803 0.6808 0.024 Uiso 1 1 calc R U . . . C37 C 0.1798(2) -0.02051(14) 0.73076(16) 0.0147(6) Uani 1 1 d . . . . . C38 C 0.1888(3) -0.08740(15) 0.76509(18) 0.0224(7) Uani 1 1 d . . . . . C39 C 0.1298(3) -0.10719(17) 0.83592(19) 0.0311(8) Uani 1 1 d . . . . . H39A H 0.0466 -0.0965 0.8259 0.047 Uiso 1 1 calc R U . . . H39B H 0.1642 -0.0806 0.8818 0.047 Uiso 1 1 calc R U . . . H39C H 0.1401 -0.1573 0.8462 0.047 Uiso 1 1 calc R U . . . C40 C 0.2542(3) -0.13811(16) 0.7310(2) 0.0303(8) Uani 1 1 d . . . . . H40 H 0.2587 -0.1839 0.7527 0.036 Uiso 1 1 calc R U . . . C41 C 0.3120(3) -0.12407(18) 0.6674(2) 0.0345(9) Uani 1 1 d . . . . . H41 H 0.3569 -0.1596 0.6464 0.041 Uiso 1 1 calc R U . . . C42 C 0.3054(3) -0.05829(18) 0.63350(18) 0.0288(8) Uani 1 1 d . . . . . H42 H 0.3456 -0.0482 0.5894 0.035 Uiso 1 1 calc R U . . . C43 C 0.2388(2) -0.00727(16) 0.66513(16) 0.0197(7) Uani 1 1 d . . . . . H43 H 0.2332 0.0378 0.6416 0.024 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 Ir1 0.01201(6) 0.01123(6) 0.01251(6) -0.00213(4) 0.00025(4) 0.00143(4) S1 0.0132(4) 0.0138(4) 0.0142(4) 0.0011(3) 0.0022(3) -0.0003(3) P1 0.0121(4) 0.0109(4) 0.0132(4) -0.0002(3) 0.0006(3) -0.0004(3) O1 0.0270(12) 0.0169(12) 0.0320(13) -0.0001(9) 0.0032(10) -0.0051(9) C1 0.0158(15) 0.0116(15) 0.0136(15) 0.0007(11) 0.0002(11) -0.0008(11) S2 0.0166(4) 0.0167(4) 0.0194(4) 0.0063(3) 0.0009(3) -0.0014(3) P2 0.0128(4) 0.0136(4) 0.0131(4) -0.0015(3) 0.0019(3) -0.0007(3) O2 0.0209(12) 0.0304(13) 0.0293(13) 0.0170(10) 0.0000(9) 0.0029(9) C2 0.0161(16) 0.0134(16) 0.0166(16) -0.0020(11) -0.0019(12) 0.0013(11) O3 0.0200(11) 0.0213(12) 0.0191(11) -0.0037(8) 0.0068(8) -0.0038(9) C3 0.0256(18) 0.0229(17) 0.0174(17) 0.0006(13) -0.0007(13) -0.0045(13) C4 0.0263(18) 0.0194(17) 0.0282(19) 0.0005(13) -0.0039(14) -0.0063(13) C5 0.0270(18) 0.0207(18) 0.0250(19) -0.0070(13) -0.0099(14) -0.0024(13) C6 0.035(2) 0.035(2) 0.0141(17) 0.0004(14) -0.0047(14) -0.0044(15) C7 0.0219(17) 0.0190(17) 0.0211(17) 0.0029(13) -0.0006(13) -0.0010(13) C8 0.0169(16) 0.0132(15) 0.0129(15) 0.0044(11) 0.0036(11) 0.0005(11) C9 0.0168(16) 0.0202(17) 0.0227(17) -0.0012(13) 0.0007(12) 0.0031(12) C10 0.033(2) 0.0207(18) 0.0238(18) -0.0048(13) 0.0031(14) 0.0052(14) C11 0.0263(19) 0.0253(19) 0.0325(19) 0.0037(14) 0.0150(15) 0.0128(14) C12 0.0149(17) 0.0281(19) 0.037(2) 0.0057(15) 0.0052(14) 0.0021(13) C13 0.0166(16) 0.0160(16) 0.0237(17) -0.0011(12) 0.0029(12) -0.0019(12) C14 0.0180(16) 0.0217(17) 0.0151(16) 0.0071(12) 0.0040(12) -0.0048(12) C15 0.0238(18) 0.039(2) 0.0213(18) 0.0092(14) 0.0023(14) -0.0035(15) C16 0.038(2) 0.046(2) 0.0202(19) -0.0030(15) 0.0036(15) -0.0060(17) C17 0.037(2) 0.048(2) 0.026(2) -0.0029(16) 0.0139(16) -0.0006(17) C18 0.0196(18) 0.040(2) 0.0261(19) 0.0039(15) 0.0067(14) -0.0006(15) C19 0.0223(17) 0.0264(18) 0.0174(17) 0.0038(13) 0.0037(13) -0.0037(13) C20 0.0216(17) 0.0093(15) 0.0251(17) -0.0037(12) 0.0039(13) 0.0080(12) C21 0.0233(12) 0.0185(12) 0.0234(13) -0.0134(9) 0.0008(9) 0.0075(9) C22 0.0233(12) 0.0185(12) 0.0234(13) -0.0134(9) 0.0008(9) 0.0075(9) C23 0.0196(17) 0.0200(16) 0.0169(16) -0.0071(12) 0.0045(12) 0.0069(12) C24 0.0177(16) 0.0174(16) 0.0204(17) -0.0055(12) 0.0011(12) 0.0059(12) C25 0.037(2) 0.0125(17) 0.041(2) 0.0037(14) 0.0055(16) 0.0061(14) C26 0.028(2) 0.0219(19) 0.052(2) -0.0184(16) -0.0011(17) -0.0020(14) C27 0.037(2) 0.042(2) 0.0210(19) -0.0142(15) -0.0051(15) 0.0193(17) C28 0.032(2) 0.0313(19) 0.0258(19) -0.0001(14) 0.0140(15) 0.0025(15) C29 0.0192(17) 0.0259(18) 0.0269(18) -0.0046(13) -0.0002(13) 0.0078(13) C30 0.0108(15) 0.0192(16) 0.0145(15) -0.0019(11) 0.0012(11) 0.0018(11) C31 0.0129(15) 0.0188(16) 0.0168(16) -0.0014(12) 0.0010(11) 0.0006(12) C32 0.0243(17) 0.0203(17) 0.0184(17) -0.0057(12) -0.0016(13) -0.0046(13) C33 0.0181(17) 0.0291(18) 0.0176(17) -0.0042(13) 0.0000(12) 0.0010(13) C34 0.0269(19) 0.035(2) 0.0154(17) 0.0059(13) -0.0013(13) 0.0026(14) C35 0.0311(19) 0.0223(18) 0.0271(19) 0.0082(14) 0.0019(14) -0.0032(14) C36 0.0184(17) 0.0203(17) 0.0215(17) -0.0004(12) 0.0016(13) -0.0016(12) C37 0.0146(15) 0.0169(16) 0.0111(15) -0.0056(11) -0.0047(11) 0.0008(11) C38 0.0233(17) 0.0162(17) 0.0246(18) -0.0027(13) -0.0108(13) -0.0033(12) C39 0.037(2) 0.0183(17) 0.036(2) 0.0068(14) -0.0068(15) -0.0101(15) C40 0.034(2) 0.0183(18) 0.034(2) -0.0067(14) -0.0148(16) 0.0055(14) C41 0.031(2) 0.036(2) 0.033(2) -0.0233(16) -0.0133(16) 0.0184(16) C42 0.0213(18) 0.049(2) 0.0152(17) -0.0116(14) -0.0041(13) 0.0093(15) C43 0.0197(17) 0.0250(17) 0.0133(16) -0.0060(12) -0.0022(12) 0.0028(13) _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 Ir1 C1 2.181(3) . ? Ir1 C23 2.193(3) . ? Ir1 C24 2.204(3) . ? Ir1 C20 2.205(3) . ? Ir1 C22 2.288(3) . ? Ir1 C21 2.296(3) . ? Ir1 P2 2.3219(7) . ? Ir1 S1 2.4364(7) . ? S1 P1 2.0129(10) . ? P1 C8 1.809(3) . ? P1 C1 1.811(3) . ? P1 C2 1.816(3) . ? O1 S2 1.435(2) . ? C1 S2 1.765(3) . ? S2 O2 1.432(2) . ? S2 C14 1.779(3) . ? P2 O3 1.504(2) . ? P2 C30 1.854(3) . ? P2 C37 1.857(3) . ? C2 C7 1.383(4) . ? C2 C3 1.398(4) . ? C3 C4 1.376(4) . ? C4 C5 1.375(4) . ? C5 C6 1.372(4) . ? C6 C7 1.381(4) . ? C8 C13 1.388(4) . ? C8 C9 1.391(4) . ? C9 C10 1.383(4) . ? C10 C11 1.367(4) . ? C11 C12 1.378(4) . ? C12 C13 1.386(4) . ? C14 C15 1.378(4) . ? C14 C19 1.384(4) . ? C15 C16 1.388(5) . ? C16 C17 1.378(5) . ? C17 C18 1.374(4) . ? C18 C19 1.390(4) . ? C20 C24 1.435(4) . ? C20 C21 1.456(4) . ? C20 C25 1.487(4) . ? C21 C22 1.409(4) . ? C21 C26 1.491(4) . ? C22 C23 1.450(4) . ? C22 C27 1.491(4) . ? C23 C24 1.430(4) . ? C23 C28 1.494(4) . ? C24 C29 1.494(4) . ? C30 C36 1.382(4) . ? C30 C31 1.420(4) . ? C31 C33 1.397(4) . ? C31 C32 1.506(4) . ? C33 C34 1.384(4) . ? C34 C35 1.377(4) . ? C35 C36 1.389(4) . ? C37 C43 1.402(4) . ? C37 C38 1.406(4) . ? C38 C40 1.398(4) . ? C38 C39 1.505(4) . ? C40 C41 1.366(5) . ? C41 C42 1.383(5) . ? C42 C43 1.390(4) . ? 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 C1 Ir1 C23 164.01(11) . . ? C1 Ir1 C24 145.22(10) . . ? C23 Ir1 C24 37.96(10) . . ? C1 Ir1 C20 111.09(10) . . ? C23 Ir1 C20 63.80(11) . . ? C24 Ir1 C20 37.98(10) . . ? C1 Ir1 C22 126.35(11) . . ? C23 Ir1 C22 37.68(10) . . ? C24 Ir1 C22 62.10(10) . . ? C20 Ir1 C22 62.03(11) . . ? C1 Ir1 C21 103.91(10) . . ? C23 Ir1 C21 62.34(11) . . ? C24 Ir1 C21 62.30(10) . . ? C20 Ir1 C21 37.67(10) . . ? C22 Ir1 C21 35.80(11) . . ? C1 Ir1 P2 94.10(7) . . ? C23 Ir1 P2 101.76(8) . . ? C24 Ir1 P2 90.47(8) . . ? C20 Ir1 P2 115.18(8) . . ? C22 Ir1 P2 138.66(8) . . ? C21 Ir1 P2 151.61(8) . . ? C1 Ir1 S1 74.59(7) . . ? C23 Ir1 S1 103.33(8) . . ? C24 Ir1 S1 140.00(8) . . ? C20 Ir1 S1 153.59(8) . . ? C22 Ir1 S1 93.37(8) . . ? C21 Ir1 S1 116.32(8) . . ? P2 Ir1 S1 89.35(3) . . ? P1 S1 Ir1 83.20(3) . . ? C8 P1 C1 113.39(13) . . ? C8 P1 C2 105.24(13) . . ? C1 P1 C2 118.37(13) . . ? C8 P1 S1 112.80(9) . . ? C1 P1 S1 94.23(9) . . ? C2 P1 S1 112.91(10) . . ? S2 C1 P1 122.50(15) . . ? S2 C1 Ir1 125.07(14) . . ? P1 C1 Ir1 95.72(12) . . ? O2 S2 O1 117.63(13) . . ? O2 S2 C1 108.00(13) . . ? O1 S2 C1 111.75(13) . . ? O2 S2 C14 106.30(14) . . ? O1 S2 C14 108.49(13) . . ? C1 S2 C14 103.64(13) . . ? O3 P2 C30 107.70(12) . . ? O3 P2 C37 109.07(12) . . ? C30 P2 C37 98.03(12) . . ? O3 P2 Ir1 111.09(8) . . ? C30 P2 Ir1 115.07(9) . . ? C37 P2 Ir1 114.99(9) . . ? C7 C2 C3 118.8(3) . . ? C7 C2 P1 118.0(2) . . ? C3 C2 P1 122.8(2) . . ? C4 C3 C2 120.3(3) . . ? C5 C4 C3 120.3(3) . . ? C6 C5 C4 119.9(3) . . ? C5 C6 C7 120.5(3) . . ? C6 C7 C2 120.2(3) . . ? C13 C8 C9 119.6(3) . . ? C13 C8 P1 123.5(2) . . ? C9 C8 P1 116.9(2) . . ? C10 C9 C8 120.0(3) . . ? C11 C10 C9 120.0(3) . . ? C10 C11 C12 120.7(3) . . ? C11 C12 C13 120.0(3) . . ? C12 C13 C8 119.7(3) . . ? C15 C14 C19 121.4(3) . . ? C15 C14 S2 118.0(2) . . ? C19 C14 S2 120.6(2) . . ? C14 C15 C16 119.0(3) . . ? C17 C16 C15 120.0(3) . . ? C18 C17 C16 120.7(3) . . ? C17 C18 C19 120.0(3) . . ? C14 C19 C18 118.8(3) . . ? C24 C20 C21 107.4(3) . . ? C24 C20 C25 126.2(3) . . ? C21 C20 C25 124.7(3) . . ? C24 C20 Ir1 70.95(16) . . ? C21 C20 Ir1 74.55(16) . . ? C25 C20 Ir1 131.6(2) . . ? C22 C21 C20 107.9(3) . . ? C22 C21 C26 127.2(3) . . ? C20 C21 C26 124.6(3) . . ? C22 C21 Ir1 71.79(16) . . ? C20 C21 Ir1 67.78(15) . . ? C26 C21 Ir1 130.3(2) . . ? C21 C22 C23 108.8(3) . . ? C21 C22 C27 128.1(3) . . ? C23 C22 C27 123.0(3) . . ? C21 C22 Ir1 72.41(16) . . ? C23 C22 Ir1 67.62(15) . . ? C27 C22 Ir1 127.8(2) . . ? C24 C23 C22 107.2(3) . . ? C24 C23 C28 126.3(3) . . ? C22 C23 C28 125.8(3) . . ? C24 C23 Ir1 71.41(16) . . ? C22 C23 Ir1 74.70(16) . . ? C28 C23 Ir1 127.1(2) . . ? C23 C24 C20 108.5(3) . . ? C23 C24 C29 124.2(3) . . ? C20 C24 C29 127.0(3) . . ? C23 C24 Ir1 70.63(16) . . ? C20 C24 Ir1 71.07(15) . . ? C29 C24 Ir1 129.6(2) . . ? C36 C30 C31 118.9(3) . . ? C36 C30 P2 120.3(2) . . ? C31 C30 P2 120.8(2) . . ? C33 C31 C30 118.1(3) . . ? C33 C31 C32 118.7(3) . . ? C30 C31 C32 123.2(2) . . ? C34 C33 C31 122.0(3) . . ? C35 C34 C33 119.4(3) . . ? C34 C35 C36 119.8(3) . . ? C30 C36 C35 121.8(3) . . ? C43 C37 C38 118.6(3) . . ? C43 C37 P2 117.7(2) . . ? C38 C37 P2 123.7(2) . . ? C40 C38 C37 118.3(3) . . ? C40 C38 C39 118.6(3) . . ? C37 C38 C39 123.1(3) . . ? C41 C40 C38 122.2(3) . . ? C40 C41 C42 120.2(3) . . ? C41 C42 C43 118.8(3) . . ? C42 C43 C37 121.8(3) . . ? _refine_diff_density_max 0.467 _refine_diff_density_min -0.397 _refine_diff_density_rms 0.077 _shelx_res_file ; sad.res created by SHELXL-2014/7 TITL sad in P2(1)/c CELL 0.71073 11.5779 19.1195 17.1015 90.000 96.535 90.000 ZERR 4.00 0.0012 0.0019 0.0017 0.000 0.003 0.000 LATT 1 SYMM -X, 0.5+Y, 0.5-Z SFAC C H O P S IR UNIT 172 180 12 8 8 4 TEMP -100 SIZE 0.211 0.28 0.307 acta L.S. 4 BOND FMAP 2 PLAN 20 omit 0 1 1 omit -3 50 omit 1 0 0 WGHT 0.018200 2.314100 FVAR 0.08499 MOLE 1 EADP C22 C21 MOLE 2 IR1 6 0.185899 0.131212 0.849128 11.00000 0.01201 0.01123 = 0.01251 -0.00213 0.00025 0.00143 S1 5 0.299171 0.036031 0.914144 11.00000 0.01320 0.01380 = 0.01417 0.00108 0.00215 -0.00027 P1 4 0.433308 0.087025 0.874850 11.00000 0.01207 0.01094 = 0.01319 -0.00015 0.00056 -0.00045 O1 3 0.463135 0.244735 0.783487 11.00000 0.02702 0.01691 = 0.03199 -0.00013 0.00323 -0.00513 C1 1 0.345042 0.126463 0.792241 11.00000 0.01579 0.01161 = 0.01360 0.00074 0.00024 -0.00079 AFIX 13 H1 2 0.330432 0.087009 0.754008 11.00000 -1.20000 AFIX 0 S2 5 0.397122 0.194034 0.735294 11.00000 0.01657 0.01670 = 0.01943 0.00629 0.00092 -0.00135 P2 4 0.087878 0.050601 0.764341 11.00000 0.01275 0.01365 = 0.01309 -0.00152 0.00186 -0.00069 O2 3 0.301819 0.218916 0.681784 11.00000 0.02088 0.03041 = 0.02926 0.01697 0.00004 0.00287 C2 1 0.508932 0.144217 0.948531 11.00000 0.01613 0.01344 = 0.01660 -0.00201 -0.00188 0.00127 O3 3 -0.012591 0.018760 0.800199 11.00000 0.02004 0.02125 = 0.01907 -0.00368 0.00679 -0.00377 C3 1 0.589503 0.194506 0.930494 11.00000 0.02564 0.02290 = 0.01739 0.00062 -0.00073 -0.00449 AFIX 43 H3 2 0.601174 0.202821 0.877192 11.00000 -1.20000 AFIX 0 C4 1 0.651956 0.232002 0.989655 11.00000 0.02630 0.01939 = 0.02815 0.00047 -0.00389 -0.00629 AFIX 43 H4 2 0.707075 0.265802 0.977067 11.00000 -1.20000 AFIX 0 C5 1 0.634885 0.220732 1.066914 11.00000 0.02701 0.02074 = 0.02503 -0.00699 -0.00993 -0.00240 AFIX 43 H5 2 0.676282 0.247758 1.107489 11.00000 -1.20000 AFIX 0 C6 1 0.557976 0.170398 1.085303 11.00000 0.03455 0.03538 = 0.01414 0.00040 -0.00467 -0.00444 AFIX 43 H6 2 0.547631 0.161972 1.138808 11.00000 -1.20000 AFIX 0 C7 1 0.495489 0.131890 1.026666 11.00000 0.02192 0.01902 = 0.02110 0.00286 -0.00058 -0.00105 AFIX 43 H7 2 0.443065 0.096796 1.040038 11.00000 -1.20000 AFIX 0 C8 1 0.543584 0.028516 0.845859 11.00000 0.01690 0.01316 = 0.01294 0.00439 0.00358 0.00053 C9 1 0.506439 -0.024599 0.793308 11.00000 0.01676 0.02018 = 0.02275 -0.00120 0.00072 0.00305 AFIX 43 H9 2 0.425891 -0.030460 0.776723 11.00000 -1.20000 AFIX 0 C10 1 0.586680 -0.068850 0.765212 11.00000 0.03329 0.02074 = 0.02383 -0.00480 0.00310 0.00525 AFIX 43 H10 2 0.561216 -0.105374 0.729708 11.00000 -1.20000 AFIX 0 C11 1 0.702676 -0.060043 0.788527 11.00000 0.02632 0.02529 = 0.03253 0.00374 0.01497 0.01284 AFIX 43 H11 2 0.757572 -0.089922 0.768128 11.00000 -1.20000 AFIX 0 C12 1 0.740778 -0.008266 0.841319 11.00000 0.01489 0.02808 = 0.03702 0.00566 0.00520 0.00214 AFIX 43 H12 2 0.821545 -0.002798 0.857406 11.00000 -1.20000 AFIX 0 C13 1 0.661281 0.035831 0.870944 11.00000 0.01663 0.01602 = 0.02367 -0.00115 0.00287 -0.00194 AFIX 43 H13 2 0.687200 0.070891 0.908234 11.00000 -1.20000 AFIX 0 C14 1 0.492382 0.150081 0.677032 11.00000 0.01800 0.02173 = 0.01512 0.00710 0.00403 -0.00485 C15 1 0.446930 0.125804 0.604110 11.00000 0.02377 0.03898 = 0.02135 0.00923 0.00226 -0.00352 AFIX 43 H15 2 0.367930 0.134359 0.584950 11.00000 -1.20000 AFIX 0 C16 1 0.518337 0.088660 0.559084 11.00000 0.03789 0.04620 = 0.02022 -0.00303 0.00361 -0.00599 AFIX 43 H16 2 0.488329 0.071611 0.508655 11.00000 -1.20000 AFIX 0 C17 1 0.632725 0.076504 0.587495 11.00000 0.03748 0.04790 = 0.02582 -0.00292 0.01391 -0.00056 AFIX 43 H17 2 0.681065 0.050794 0.556543 11.00000 -1.20000 AFIX 0 C18 1 0.677664 0.101151 0.660089 11.00000 0.01957 0.03988 = 0.02613 0.00390 0.00674 -0.00062 AFIX 43 H18 2 0.756664 0.092428 0.679109 11.00000 -1.20000 AFIX 0 C19 1 0.607545 0.138845 0.705698 11.00000 0.02233 0.02636 = 0.01738 0.00375 0.00367 -0.00368 AFIX 43 H19 2 0.638126 0.156594 0.755688 11.00000 -1.20000 AFIX 0 C20 1 0.112269 0.237705 0.843254 11.00000 0.02156 0.00933 = 0.02507 -0.00369 0.00391 0.00800 C21 1 0.197620 0.237187 0.912681 11.00000 0.02327 0.01853 = 0.02344 -0.01340 0.00083 0.00754 C22 1 0.163008 0.186441 0.965045 11.00000 0.02327 0.01853 = 0.02344 -0.01340 0.00083 0.00754 C23 1 0.056509 0.153821 0.929913 11.00000 0.01962 0.01996 = 0.01692 -0.00706 0.00446 0.00692 C24 1 0.022756 0.188804 0.856962 11.00000 0.01766 0.01741 = 0.02036 -0.00550 0.00113 0.00592 C25 1 0.105385 0.291800 0.780396 11.00000 0.03653 0.01253 = 0.04090 0.00366 0.00546 0.00606 AFIX 137 H25A 2 0.181482 0.296652 0.761066 11.00000 -1.50000 H25B 2 0.082621 0.336649 0.801778 11.00000 -1.50000 H25C 2 0.047517 0.277744 0.736925 11.00000 -1.50000 AFIX 0 C26 1 0.296579 0.287185 0.927092 11.00000 0.02845 0.02194 = 0.05248 -0.01837 -0.00108 -0.00203 AFIX 137 H26A 2 0.332438 0.293733 0.878391 11.00000 -1.50000 H26B 2 0.354389 0.268453 0.968061 11.00000 -1.50000 H26C 2 0.267954 0.332232 0.944297 11.00000 -1.50000 AFIX 0 C27 1 0.219097 0.168745 1.045423 11.00000 0.03699 0.04250 = 0.02096 -0.01424 -0.00508 0.01933 AFIX 137 H27A 2 0.238271 0.118811 1.047875 11.00000 -1.50000 H27B 2 0.165519 0.179506 1.084194 11.00000 -1.50000 H27C 2 0.290374 0.196285 1.057037 11.00000 -1.50000 AFIX 0 C28 1 -0.014599 0.102085 0.969198 11.00000 0.03178 0.03131 = 0.02577 -0.00008 0.01398 0.00251 AFIX 137 H28A 2 -0.048509 0.068040 0.930324 11.00000 -1.50000 H28B 2 -0.076963 0.126567 0.992234 11.00000 -1.50000 H28C 2 0.035048 0.077722 1.010797 11.00000 -1.50000 AFIX 0 C29 1 -0.093187 0.180493 0.809710 11.00000 0.01924 0.02592 = 0.02686 -0.00456 -0.00022 0.00778 AFIX 137 H29A 2 -0.088378 0.196277 0.755656 11.00000 -1.50000 H29B 2 -0.151021 0.208599 0.833242 11.00000 -1.50000 H29C 2 -0.116195 0.131155 0.809246 11.00000 -1.50000 AFIX 0 C30 1 0.031219 0.085478 0.666245 11.00000 0.01084 0.01924 = 0.01446 -0.00187 0.00121 0.00179 C31 1 -0.040856 0.043887 0.611884 11.00000 0.01287 0.01877 = 0.01683 -0.00141 0.00102 0.00059 C32 1 -0.077061 -0.029560 0.629514 11.00000 0.02428 0.02027 = 0.01842 -0.00572 -0.00156 -0.00465 AFIX 137 H32A 2 -0.133628 -0.046355 0.586637 11.00000 -1.50000 H32B 2 -0.112417 -0.029976 0.678925 11.00000 -1.50000 H32C 2 -0.008701 -0.060150 0.634453 11.00000 -1.50000 AFIX 0 C33 1 -0.078730 0.072587 0.538299 11.00000 0.01806 0.02909 = 0.01759 -0.00423 0.00002 0.00104 AFIX 43 H33 2 -0.124908 0.044818 0.500721 11.00000 -1.20000 AFIX 0 C34 1 -0.051047 0.140236 0.518456 11.00000 0.02692 0.03462 = 0.01539 0.00592 -0.00128 0.00262 AFIX 43 H34 2 -0.078946 0.158720 0.468279 11.00000 -1.20000 AFIX 0 C35 1 0.017327 0.180504 0.572140 11.00000 0.03109 0.02233 = 0.02714 0.00824 0.00189 -0.00319 AFIX 43 H35 2 0.035873 0.227251 0.559470 11.00000 -1.20000 AFIX 0 C36 1 0.059068 0.152559 0.644844 11.00000 0.01836 0.02028 = 0.02147 -0.00045 0.00157 -0.00157 AFIX 43 H36 2 0.108078 0.180295 0.680832 11.00000 -1.20000 AFIX 0 C37 1 0.179796 -0.020505 0.730756 11.00000 0.01464 0.01690 = 0.01108 -0.00562 -0.00471 0.00082 C38 1 0.188793 -0.087405 0.765088 11.00000 0.02334 0.01621 = 0.02464 -0.00271 -0.01076 -0.00334 C39 1 0.129776 -0.107185 0.835921 11.00000 0.03691 0.01828 = 0.03560 0.00682 -0.00680 -0.01008 AFIX 137 H39A 2 0.046637 -0.096468 0.825886 11.00000 -1.50000 H39B 2 0.164173 -0.080617 0.881772 11.00000 -1.50000 H39C 2 0.140096 -0.157349 0.846221 11.00000 -1.50000 AFIX 0 C40 1 0.254243 -0.138108 0.730972 11.00000 0.03408 0.01834 = 0.03416 -0.00675 -0.01484 0.00552 AFIX 43 H40 2 0.258695 -0.183876 0.752731 11.00000 -1.20000 AFIX 0 C41 1 0.312004 -0.124069 0.667415 11.00000 0.03140 0.03554 = 0.03264 -0.02331 -0.01334 0.01837 AFIX 43 H41 2 0.356880 -0.159596 0.646435 11.00000 -1.20000 AFIX 0 C42 1 0.305369 -0.058293 0.633502 11.00000 0.02133 0.04857 = 0.01521 -0.01157 -0.00408 0.00934 AFIX 43 H42 2 0.345553 -0.048176 0.589403 11.00000 -1.20000 AFIX 0 C43 1 0.238829 -0.007266 0.665128 11.00000 0.01971 0.02503 = 0.01334 -0.00602 -0.00221 0.00279 AFIX 43 H43 2 0.233207 0.037807 0.641625 11.00000 -1.20000 AFIX 0 HKLF 4 REM sad in P2(1)/c REM R1 = 0.0198 for 5869 Fo > 4sig(Fo) and 0.0255 for all 6633 data REM 461 parameters refined using 0 restraints END WGHT 0.0174 2.8809 REM Highest difference peak 0.467, deepest hole -0.397, 1-sigma level 0.077 Q1 1 0.2090 0.1696 0.8190 11.00000 0.05 0.47 Q2 1 0.0485 0.0692 0.7051 11.00000 0.05 0.44 Q3 1 0.1030 0.1166 0.8379 11.00000 0.05 0.43 Q4 1 0.1542 0.0978 0.8919 11.00000 0.05 0.39 Q5 1 0.1237 0.1709 0.9554 11.00000 0.05 0.38 Q6 1 0.4865 0.0518 0.8595 11.00000 0.05 0.37 Q7 1 0.3654 0.1588 0.7612 11.00000 0.05 0.36 Q8 1 0.3978 0.1110 0.8238 11.00000 0.05 0.35 Q9 1 0.4511 0.1781 0.6977 11.00000 0.05 0.34 Q10 1 0.1453 0.0052 0.7518 11.00000 0.05 0.34 Q11 1 0.1953 0.2240 0.8785 11.00000 0.05 0.33 Q12 1 0.4975 0.1231 0.9169 11.00000 0.05 0.33 Q13 1 0.3774 0.2733 0.9292 11.00000 0.05 0.31 Q14 1 0.6777 0.1977 1.0427 11.00000 0.05 0.30 Q15 1 0.1639 0.1655 0.8806 11.00000 0.05 0.30 Q16 1 -0.0387 0.0495 0.5728 11.00000 0.05 0.29 Q17 1 -0.0403 0.1674 0.5563 11.00000 0.05 0.29 Q18 1 0.5333 0.1782 0.9431 11.00000 0.05 0.29 Q19 1 0.6528 0.1976 0.9577 11.00000 0.05 0.29 Q20 1 0.1702 0.2192 0.9541 11.00000 0.05 0.29 ; _shelx_res_checksum 67194 _shelx_hkl_file ; -1 0 0 -0.05 0.11 1 0 0 -0.07 0.07 2 0 0 7.31 0.80 2 0 0 10.23 0.82 -2 0 0 8.69 0.49 -2 0 0 9.23 0.88 -2 0 0 8.01 0.81 2 0 0 8.92 0.48 3 0 0 114.03 3.94 -3 0 0 105.94 3.87 3 0 0 102.51 3.31 -3 0 0 106.30 3.35 -3 0 0 111.88 4.03 -3 0 0 104.51 3.88 3 0 0 108.56 3.91 -4 0 0 1.35 0.75 -4 0 0 2.47 0.42 -4 0 0 1.65 0.82 4 0 0 2.61 0.41 -4 0 0 3.75 0.92 4 0 0 3.49 0.95 -4 0 0 -1.77 4.19 4 0 0 2.05 0.80 -4 0 0 2.73 0.46 -5 0 0 115.84 4.62 5 0 0 101.88 3.51 -5 0 0 107.65 4.55 -5 0 0 108.91 3.38 5 0 0 108.56 4.59 -5 0 0 112.37 3.59 -5 0 0 114.72 4.70 6 0 0 171.92 6.77 -6 0 0 171.18 6.70 -6 0 0 183.25 5.56 6 0 0 173.03 5.46 -6 0 0 186.98 5.27 7 0 0 20.44 2.40 7 0 0 20.82 1.06 -7 0 0 22.29 2.44 -7 0 0 23.22 1.09 -8 0 0 458.92 12.47 8 0 0 437.86 15.00 -8 0 0 459.75 15.24 -8 0 0 459.86 12.51 -9 0 0 50.83 3.66 10 0 0 213.84 9.11 -10 0 0 204.75 9.04 -11 0 0 144.59 7.45 11 0 0 132.57 7.14 12 0 0 6.06 2.30 -12 0 0 11.40 2.84 13 0 0 73.29 5.64 -13 0 0 68.87 5.60 14 0 0 63.68 6.37 -14 0 0 56.11 6.08 2 -1 0 266.38 7.84 2 -1 0 252.78 7.62 -2 -1 0 265.49 7.76 -2 -1 0 262.61 7.73 -2 -1 0 260.82 7.79 -2 -1 0 272.82 7.91 -2 -1 0 263.18 7.35 -2 1 0 264.66 7.69 -2 1 0 257.11 7.56 2 1 0 260.28 7.74 2 1 0 261.16 7.34 -2 1 0 256.23 7.83 -2 1 0 264.15 7.18 2 1 0 255.99 7.87 2 1 0 266.45 7.78 2 1 0 272.92 7.81 -3 -1 0 7.00 0.60 -3 -1 0 5.89 0.60 -3 -1 0 4.19 0.84 3 -1 0 5.66 0.84 -3 -1 0 5.06 0.77 -3 -1 0 5.49 0.93 -3 1 0 6.21 0.89 3 1 0 5.05 0.83 3 1 0 5.65 0.59 -3 1 0 4.77 0.42 -3 1 0 4.44 0.42 3 1 0 4.05 0.84 -3 1 0 6.20 0.92 3 1 0 5.53 0.82 -4 -1 0 325.11 9.60 -4 -1 0 321.19 9.98 -4 -1 0 333.42 10.23 -4 -1 0 316.15 9.07 4 -1 0 332.17 10.01 4 -1 0 334.90 10.17 -4 -1 0 313.66 10.06 4 1 0 328.67 10.09 -4 1 0 323.54 8.86 4 1 0 303.58 9.96 4 1 0 315.36 9.60 -4 1 0 306.41 10.09 -4 1 0 327.52 9.96 -4 1 0 325.54 9.37 -5 -1 0 -0.72 0.76 -5 -1 0 0.64 0.45 5 -1 0 0.06 0.75 -5 -1 0 0.13 0.39 -5 -1 0 1.61 0.97 -5 -1 0 0.02 0.68 -5 1 0 0.35 0.33 -5 1 0 1.41 0.35 -5 1 0 1.18 0.92 -5 1 0 0.68 0.66 5 1 0 0.81 0.42 5 1 0 3.16 1.05 5 1 0 0.20 0.73 -6 -1 0 48.73 3.00 -6 -1 0 51.82 2.01 -6 -1 0 57.28 2.18 -6 1 0 52.55 1.79 -6 1 0 50.51 1.90 -6 1 0 50.58 3.08 6 1 0 47.30 3.08 -6 1 0 49.09 1.77 6 1 0 50.67 2.08 -7 -1 0 186.29 5.71 -7 -1 0 201.99 7.55 7 -1 0 177.51 7.29 -7 1 0 178.84 7.33 7 1 0 182.78 7.39 -7 1 0 197.97 5.73 -7 1 0 194.54 5.42 7 1 0 185.09 5.99 -7 1 0 189.21 5.38 -8 -1 0 12.36 2.03 8 -1 0 11.74 2.07 -8 -1 0 11.74 0.92 -8 1 0 10.87 1.96 8 1 0 12.17 0.90 8 1 0 14.03 2.14 9 -1 0 156.14 7.05 -9 -1 0 156.53 7.11 -9 1 0 163.07 7.24 9 1 0 147.85 7.03 9 1 0 144.77 4.74 -10 -1 0 59.12 4.12 10 -1 0 47.04 4.59 -10 1 0 50.96 3.91 10 1 0 56.87 4.29 11 -1 0 30.81 3.81 -11 -1 0 22.82 3.35 -11 1 0 29.50 3.78 -12 -1 0 73.39 5.36 12 -1 0 65.63 5.18 -12 1 0 65.69 5.24 12 1 0 67.52 5.22 -13 -1 0 18.63 3.44 13 -1 0 12.29 2.94 -13 1 0 11.83 2.98 13 1 0 11.88 2.89 -14 -1 0 13.60 3.36 14 -1 0 4.07 2.48 -14 1 0 16.87 3.56 14 1 0 10.28 3.11 0 2 0 7.39 0.56 -1 -2 0 16.63 0.91 -1 -2 0 10.74 0.59 1 2 0 16.36 0.92 -2 -2 0 0.63 0.53 2 -2 0 0.16 0.37 -2 -2 0 0.32 0.34 -2 -2 0 0.09 0.38 2 -2 0 0.05 0.43 -2 -2 0 0.08 0.36 -2 -2 0 0.73 0.42 2 -2 0 -0.02 0.28 -2 2 0 0.09 0.40 -2 2 0 0.32 0.28 2 2 0 0.56 0.51 -2 2 0 0.43 0.39 2 2 0 0.99 0.56 2 2 0 0.08 0.39 2 2 0 0.31 0.36 2 2 0 0.34 0.33 -3 -2 0 19.72 1.46 -3 -2 0 18.33 1.07 3 -2 0 19.14 1.37 -3 -2 0 19.02 1.48 -3 -2 0 17.89 1.14 3 -2 0 19.64 0.94 3 -2 0 19.87 1.36 -3 -2 0 20.05 1.33 3 2 0 20.79 1.21 -3 2 0 20.41 0.94 3 2 0 21.00 1.54 3 2 0 19.87 1.11 3 2 0 19.72 1.39 3 2 0 20.94 1.34 -3 2 0 21.21 1.36 -4 -2 0 62.14 2.49 -4 -2 0 60.57 2.33 4 -2 0 67.84 2.99 4 -2 0 60.27 2.88 -4 -2 0 61.48 3.04 -4 -2 0 59.70 2.83 -4 -2 0 67.48 3.06 -4 2 0 61.99 2.89 4 2 0 61.10 2.51 -4 2 0 61.01 2.12 4 2 0 65.02 3.03 4 2 0 60.62 2.81 -4 2 0 59.56 2.91 4 2 0 61.55 3.07 -4 2 0 60.17 2.07 -5 -2 0 42.34 1.92 5 -2 0 42.55 2.62 -5 -2 0 45.97 2.53 -5 2 0 45.41 1.65 5 2 0 43.77 2.05 5 2 0 43.99 2.74 5 2 0 48.72 2.56 -5 2 0 41.31 1.66 -5 2 0 52.44 2.73 -6 -2 0 0.75 0.82 -6 -2 0 2.03 0.60 6 -2 0 2.05 1.07 6 2 0 1.36 1.00 -6 2 0 0.74 0.90 6 2 0 0.59 0.48 -6 2 0 0.87 0.36 -6 2 0 1.55 0.37 -7 -2 0 1.78 1.07 7 -2 0 2.50 1.21 -7 -2 0 3.04 0.67 -7 2 0 2.64 0.40 -7 2 0 2.43 0.38 7 2 0 3.01 1.26 -7 2 0 1.87 1.17 7 2 0 3.27 0.70 -7 2 0 3.18 0.44 -8 -2 0 6.15 0.85 8 -2 0 3.46 1.36 -8 -2 0 8.59 1.69 8 2 0 6.93 0.88 -8 2 0 5.36 1.43 8 2 0 6.24 1.63 9 -2 0 5.53 1.73 -9 -2 0 2.88 1.56 -9 -2 0 4.78 0.75 9 2 0 1.65 1.42 -9 2 0 4.41 1.64 9 2 0 4.71 0.74 -10 -2 0 0.69 0.47 -10 -2 0 0.92 1.48 10 -2 0 2.74 1.61 -10 2 0 3.00 1.66 10 2 0 2.15 1.53 -11 -2 0 1.37 1.64 11 -2 0 0.17 1.39 11 2 0 0.17 1.38 -11 2 0 -0.22 1.19 -12 -2 0 2.89 1.89 12 -2 0 0.93 1.72 -12 2 0 1.01 1.81 13 -2 0 2.66 2.11 -13 -2 0 -2.40 1.59 -13 2 0 2.01 2.15 13 2 0 7.77 2.53 14 -2 0 6.44 2.67 -14 -2 0 6.41 2.67 -14 2 0 3.53 2.42 14 2 0 6.96 2.79 0 -3 0 0.21 0.34 0 -3 0 0.39 0.33 0 3 0 0.10 0.34 0 3 0 -0.22 0.20 -1 -3 0 36.68 1.25 -1 -3 0 35.10 1.20 -1 -3 0 35.18 1.65 -1 -3 0 35.99 1.63 1 -3 0 33.14 1.51 1 -3 0 38.17 1.63 1 -3 0 35.47 1.37 -1 3 0 36.78 1.55 1 3 0 35.72 1.62 1 3 0 35.33 1.67 -1 3 0 36.00 1.39 -1 3 0 37.24 1.63 1 3 0 34.10 1.23 2 -3 0 19.40 1.31 2 -3 0 21.15 1.14 -2 -3 0 21.29 1.15 2 -3 0 24.25 1.27 -2 -3 0 20.75 1.41 -2 -3 0 21.14 1.25 2 3 0 22.42 1.31 2 3 0 20.68 1.37 -2 3 0 20.80 1.22 2 3 0 22.63 1.15 2 3 0 21.45 1.47 -2 3 0 22.75 1.37 3 -3 0 1.73 0.44 -3 -3 0 2.04 0.52 -3 -3 0 0.66 0.45 3 -3 0 2.26 0.65 -3 -3 0 1.11 0.66 3 -3 0 1.87 0.70 -3 3 0 2.21 0.67 3 3 0 1.77 0.53 3 3 0 1.63 0.71 -3 3 0 1.28 0.59 3 3 0 1.87 0.76 3 3 0 1.49 0.50 -3 3 0 2.26 0.46 3 3 0 2.46 0.59 4 -3 0 200.34 5.80 -4 -3 0 193.64 6.56 -4 -3 0 198.40 6.89 -4 -3 0 199.48 6.76 4 -3 0 191.05 6.61 4 -3 0 200.78 6.69 -4 -3 0 192.79 6.10 4 3 0 199.71 6.13 4 3 0 202.99 7.00 4 3 0 183.63 6.68 4 3 0 191.52 6.50 4 3 0 193.23 6.47 -4 3 0 183.04 6.62 -4 3 0 191.97 5.74 -5 -3 0 1.63 0.82 -5 -3 0 2.27 0.66 -5 -3 0 3.18 0.92 5 -3 0 1.24 0.94 5 3 0 2.49 0.85 -5 3 0 1.65 0.95 -5 3 0 1.24 0.43 5 3 0 4.47 0.84 5 3 0 3.43 1.13 5 3 0 1.04 1.00 -5 3 0 1.74 0.43 6 -3 0 31.68 2.48 -6 -3 0 31.45 2.33 -6 -3 0 31.51 1.76 -6 3 0 30.18 2.43 -6 3 0 30.61 1.40 6 3 0 33.11 2.60 6 3 0 34.89 1.93 6 3 0 28.34 2.77 -6 3 0 32.31 1.39 7 -3 0 48.68 3.32 -7 -3 0 56.14 2.41 -7 -3 0 48.77 3.19 7 3 0 53.25 3.38 7 3 0 50.19 2.51 -7 3 0 57.13 3.51 -7 3 0 50.43 1.95 -8 -3 0 0.48 1.01 8 -3 0 1.70 1.24 -8 -3 0 -0.45 0.47 8 3 0 0.31 0.51 -8 3 0 0.20 0.23 -8 3 0 0.16 0.22 -8 3 0 0.56 0.88 -8 3 0 -0.16 0.24 8 3 0 1.16 1.21 -9 -3 0 126.44 4.41 -9 -3 0 123.07 6.13 9 -3 0 127.38 6.29 9 3 0 122.60 4.56 -9 3 0 125.02 6.33 9 3 0 117.61 6.19 -10 -3 0 29.69 3.55 10 -3 0 33.74 3.88 -10 -3 0 35.99 1.85 10 3 0 32.51 3.80 -10 3 0 35.17 3.83 11 -3 0 7.96 2.24 -11 -3 0 8.04 2.32 -11 3 0 7.42 2.23 11 3 0 8.54 2.22 -12 -3 0 104.01 6.39 12 -3 0 103.42 6.47 -12 3 0 92.62 6.25 12 3 0 89.90 6.13 13 -3 0 1.37 1.75 -13 -3 0 2.55 2.08 -13 3 0 0.57 1.44 14 -3 0 6.35 2.65 -14 -3 0 2.46 2.38 14 3 0 1.86 2.28 -14 3 0 0.27 2.18 0 -4 0 582.99 16.61 0 -4 0 582.61 16.75 0 4 0 608.07 16.81 0 4 0 594.61 16.62 -1 -4 0 30.74 1.05 -1 -4 0 29.34 1.65 1 -4 0 31.01 1.28 -1 -4 0 30.79 1.64 1 -4 0 31.63 1.61 -1 -4 0 31.82 1.10 1 4 0 29.74 1.69 -1 4 0 29.68 1.62 -1 4 0 29.90 1.28 -1 4 0 27.98 1.54 -1 4 0 36.74 1.72 1 4 0 29.93 1.62 -2 -4 0 29.58 1.62 -2 -4 0 28.03 1.28 2 -4 0 28.34 1.42 -2 -4 0 25.52 1.26 -2 -4 0 31.03 1.75 2 -4 0 30.56 1.70 2 -4 0 27.93 1.46 2 4 0 28.30 1.59 -2 4 0 24.86 1.40 -2 4 0 26.70 1.43 -2 4 0 24.27 1.54 2 4 0 26.97 1.26 2 4 0 23.71 1.66 2 4 0 28.40 1.70 -3 -4 0 572.10 16.17 -3 -4 0 536.81 15.51 3 -4 0 561.50 15.93 -3 -4 0 536.94 15.00 3 -4 0 545.99 15.24 -3 -4 0 517.01 15.66 3 -4 0 535.68 15.66 3 4 0 553.95 15.54 -3 4 0 537.11 15.89 -3 4 0 540.34 15.64 -3 4 0 545.57 15.24 3 4 0 532.92 15.66 3 4 0 559.10 15.91 3 4 0 551.75 16.44 3 4 0 534.97 16.14 -4 -4 0 -0.16 0.53 -4 -4 0 -0.04 0.51 4 -4 0 -0.56 0.64 -4 -4 0 1.47 0.85 4 -4 0 -0.12 0.54 4 -4 0 0.67 0.47 -4 -4 0 -0.45 0.57 4 4 0 1.07 0.92 -4 4 0 0.01 0.48 4 4 0 3.72 11.78 4 4 0 0.13 0.54 4 4 0 1.09 0.68 4 4 0 0.03 0.48 -4 4 0 -0.90 0.40 4 4 0 0.71 0.84 5 -4 0 400.69 12.40 -5 -4 0 392.34 12.27 -5 -4 0 410.69 11.91 -5 -4 0 362.13 11.56 5 -4 0 397.88 11.22 5 4 0 400.79 12.81 -5 4 0 371.02 12.43 5 4 0 377.59 12.45 5 4 0 397.21 12.29 5 4 0 394.80 12.38 5 4 0 414.56 11.74 -5 4 0 394.22 11.71 6 -4 0 180.81 6.73 -6 -4 0 173.85 6.47 -6 -4 0 173.52 5.75 -6 4 0 162.84 6.54 -6 4 0 156.53 5.33 6 4 0 161.84 6.65 6 4 0 157.29 6.77 -6 4 0 171.43 5.21 6 4 0 174.47 6.12 7 -4 0 47.25 3.28 -7 -4 0 50.06 3.16 -7 -4 0 50.20 2.47 -7 4 0 45.88 1.96 7 4 0 52.74 3.48 -7 4 0 49.31 3.19 7 4 0 48.43 3.45 7 4 0 48.55 2.59 -7 4 0 47.73 1.92 -8 -4 0 249.60 7.81 8 -4 0 236.15 9.25 -8 -4 0 234.32 9.12 -8 4 0 243.33 6.89 -8 4 0 245.45 7.29 8 4 0 249.58 9.52 8 4 0 248.37 8.23 -8 4 0 210.20 9.06 -9 -4 0 55.50 2.65 -9 -4 0 58.79 3.95 9 -4 0 47.96 3.83 -9 4 0 51.90 3.96 9 4 0 52.23 2.72 9 4 0 46.93 4.33 -10 -4 0 32.08 3.57 10 -4 0 28.58 3.54 -10 -4 0 31.05 1.94 -10 4 0 27.69 3.52 10 4 0 31.50 3.71 11 -4 0 68.53 5.09 -11 -4 0 68.68 4.99 11 4 0 91.86 5.72 -11 4 0 74.65 5.32 12 -4 0 8.60 2.60 -12 -4 0 7.59 2.35 -12 4 0 4.77 2.32 12 4 0 6.43 2.31 13 -4 0 121.98 7.65 -13 -4 0 138.16 7.87 13 4 0 129.20 7.77 -13 4 0 132.87 7.97 14 -4 0 29.46 4.42 -14 -4 0 32.93 4.68 -14 4 0 34.51 4.97 0 -5 0 -0.30 0.32 0 -5 0 -0.47 0.50 0 5 0 0.51 0.52 0 5 0 -0.33 0.44 -1 -5 0 116.18 3.71 -1 -5 0 136.63 4.63 1 -5 0 131.20 3.99 -1 -5 0 128.11 3.55 1 -5 0 138.22 4.61 1 -5 0 129.71 4.52 -1 -5 0 133.19 4.63 1 5 0 130.34 4.65 1 5 0 127.50 4.57 -1 5 0 125.34 4.00 -1 5 0 130.73 4.60 -1 5 0 138.48 4.59 -1 5 0 136.08 4.53 -2 -5 0 147.36 4.36 2 -5 0 152.69 4.80 2 -5 0 147.07 4.93 -2 -5 0 149.76 4.54 -2 -5 0 149.65 5.23 2 -5 0 135.85 5.03 -2 -5 0 157.45 5.18 2 5 0 139.41 5.33 2 5 0 149.35 5.30 -2 5 0 140.54 4.88 2 5 0 148.32 5.09 -2 5 0 147.01 4.79 -2 5 0 141.81 5.04 3 -5 0 65.84 2.83 -3 -5 0 61.62 2.58 -3 -5 0 68.27 3.18 -3 -5 0 71.50 2.64 3 -5 0 67.90 2.76 3 -5 0 65.72 3.08 -3 -5 0 67.10 2.94 3 5 0 65.33 3.21 -3 5 0 68.12 3.04 3 5 0 69.39 3.17 3 5 0 66.57 2.64 -3 5 0 64.56 2.68 -3 5 0 62.96 2.81 3 5 0 68.72 2.97 4 -5 0 360.89 10.73 4 -5 0 363.97 11.42 -4 -5 0 371.60 10.78 -4 -5 0 357.45 11.07 -4 -5 0 370.38 11.19 4 -5 0 376.82 11.46 -4 -5 0 392.33 12.43 4 5 0 364.11 11.82 4 5 0 356.86 11.56 -4 5 0 362.36 11.91 -4 5 0 357.20 11.41 4 5 0 363.05 11.75 4 5 0 362.88 11.16 -4 5 0 360.73 10.70 4 5 0 371.17 11.11 -5 -5 0 134.64 5.06 -5 -5 0 132.03 4.94 5 -5 0 135.18 5.49 -5 -5 0 137.59 5.20 5 -5 0 137.07 4.62 -5 5 0 139.94 5.48 5 5 0 138.20 5.01 -5 5 0 141.39 4.60 5 5 0 132.90 5.28 5 5 0 122.26 5.63 5 5 0 141.13 5.72 5 5 0 133.34 5.14 6 -5 0 382.00 12.55 -6 -5 0 393.53 11.76 -6 -5 0 358.89 12.29 -6 5 0 390.16 11.18 6 5 0 396.38 13.08 -6 5 0 381.28 12.69 6 5 0 402.95 12.85 -6 5 0 360.85 11.58 6 5 0 398.28 12.49 6 5 0 394.74 11.78 7 -5 0 289.86 10.20 -7 -5 0 282.10 9.94 -7 -5 0 286.64 9.06 7 5 0 284.07 10.31 -7 5 0 285.61 10.27 -7 5 0 286.97 8.39 -7 5 0 267.83 8.66 7 5 0 286.83 10.57 7 5 0 280.65 9.61 8 -5 0 1.79 1.29 -8 -5 0 1.05 0.77 -8 -5 0 0.85 1.10 -8 5 0 0.62 0.45 -8 5 0 1.01 1.22 8 5 0 0.64 0.75 8 5 0 0.35 1.13 -8 5 0 0.97 0.46 9 -5 0 18.76 2.76 -9 -5 0 18.10 2.59 -9 -5 0 19.63 1.89 -9 5 0 19.27 1.02 -9 5 0 19.50 1.02 9 5 0 21.51 2.09 -9 5 0 18.93 0.95 -9 5 0 16.93 2.75 9 5 0 20.94 2.99 -10 -5 0 56.62 2.90 10 -5 0 59.00 4.51 -10 -5 0 61.46 4.31 -10 5 0 55.11 4.20 10 5 0 55.99 4.44 11 -5 0 2.05 1.67 -11 -5 0 -0.18 1.36 -11 5 0 1.48 1.77 11 5 0 1.72 1.62 -12 -5 0 76.73 5.57 12 -5 0 79.39 5.80 12 5 0 79.25 5.86 -12 5 0 100.12 6.39 -13 -5 0 14.21 3.17 13 -5 0 17.44 3.45 -13 5 0 14.64 3.35 13 5 0 15.41 3.28 -14 -5 0 67.16 6.38 14 -5 0 61.64 6.46 -14 5 0 60.54 6.41 14 5 0 61.96 6.46 0 -6 0 27.91 1.75 0 -6 0 24.70 1.70 0 6 0 28.64 1.82 0 6 0 32.20 1.88 1 -6 0 50.50 1.85 -1 -6 0 51.18 2.52 -1 -6 0 48.60 2.55 1 -6 0 47.76 2.46 1 -6 0 47.74 2.43 1 6 0 54.95 2.61 -1 6 0 53.56 2.50 1 6 0 54.84 2.64 -1 6 0 53.73 2.55 -1 6 0 52.31 1.83 -1 6 0 49.97 1.89 -1 6 0 49.46 2.51 -2 -6 0 6.81 0.64 -2 -6 0 7.68 0.69 -2 -6 0 7.13 1.12 2 -6 0 6.74 0.81 2 -6 0 5.17 1.04 -2 -6 0 11.08 1.34 2 -6 0 5.54 0.96 -2 6 0 7.63 0.88 -2 6 0 8.92 1.17 2 6 0 8.66 1.24 2 6 0 9.65 1.25 -2 6 0 5.68 0.94 -2 6 0 9.61 1.24 2 6 0 8.36 1.25 3 -6 0 36.78 2.31 -3 -6 0 32.53 1.69 -3 -6 0 37.81 2.23 3 -6 0 36.17 1.97 3 -6 0 35.92 2.04 -3 -6 0 35.72 2.29 -3 -6 0 37.00 1.71 3 6 0 33.46 2.09 3 6 0 32.12 2.30 3 6 0 32.32 2.35 -3 6 0 30.15 2.08 -3 6 0 33.19 1.90 -3 6 0 35.82 1.98 -4 -6 0 29.01 1.74 4 -6 0 29.65 1.97 -4 -6 0 26.62 2.08 4 -6 0 28.77 1.82 -4 -6 0 26.69 1.79 4 -6 0 29.17 2.27 -4 6 0 27.68 1.98 -4 6 0 31.97 1.83 4 6 0 30.84 2.06 4 6 0 29.56 2.18 4 6 0 27.12 2.57 4 6 0 28.42 2.67 -5 -6 0 38.89 2.45 -5 -6 0 38.55 2.35 -5 -6 0 42.23 2.41 5 -6 0 42.21 2.73 5 -6 0 40.29 2.17 5 6 0 43.58 2.99 5 6 0 35.12 2.83 5 6 0 42.28 2.42 5 6 0 40.36 2.56 -5 6 0 40.61 2.62 -5 6 0 42.24 2.14 -6 -6 0 3.36 1.04 6 -6 0 3.71 0.81 -6 -6 0 5.03 1.18 6 -6 0 2.49 1.18 6 6 0 5.47 1.53 6 6 0 3.98 1.13 6 6 0 6.74 1.45 6 6 0 1.59 13.93 -6 6 0 5.41 0.90 6 6 0 3.70 1.04 -6 6 0 4.22 1.23 7 -6 0 15.68 2.30 -7 -6 0 11.40 1.78 -7 -6 0 10.37 1.47 -7 6 0 12.24 1.21 7 6 0 10.66 2.03 7 6 0 10.59 1.87 -7 6 0 8.49 1.75 7 6 0 10.26 1.60 -7 6 0 13.87 1.25 -8 -6 0 2.32 0.99 8 -6 0 1.51 1.26 -8 -6 0 0.25 1.00 8 6 0 0.31 1.13 8 6 0 -0.48 1.11 -8 6 0 1.33 1.33 -8 6 0 2.64 0.66 -9 -6 0 39.64 3.72 9 -6 0 42.18 4.04 -9 -6 0 37.52 2.52 -9 6 0 42.03 4.09 -9 6 0 38.37 1.80 -9 6 0 37.63 1.77 -9 6 0 39.70 2.03 9 6 0 43.13 4.13 -10 -6 0 4.92 1.74 -10 -6 0 6.63 1.28 10 -6 0 9.51 2.35 -10 6 0 9.21 2.32 10 6 0 11.25 2.54 -11 -6 0 0.12 1.36 11 -6 0 1.08 1.61 -11 6 0 -1.96 1.25 11 6 0 -0.88 1.42 -12 -6 0 2.63 1.93 12 -6 0 0.98 1.67 -12 6 0 1.19 1.51 12 6 0 0.62 1.86 13 -6 0 0.36 1.74 -13 -6 0 -2.45 1.81 -13 6 0 0.10 1.89 13 6 0 0.26 1.70 0 -7 0 -0.07 0.65 0 -7 0 0.42 0.58 0 7 0 0.11 0.48 0 7 0 -0.70 0.55 1 -7 0 9.72 1.27 -1 -7 0 9.53 1.27 1 -7 0 6.32 1.14 -1 -7 0 7.64 1.29 -1 7 0 10.46 1.34 -1 7 0 9.76 0.74 -1 7 0 8.39 1.24 1 7 0 7.51 1.19 1 7 0 10.09 1.37 -1 7 0 8.67 1.26 -1 7 0 8.71 0.72 -2 -7 0 14.23 1.64 2 -7 0 13.55 1.54 -2 -7 0 12.85 0.82 2 -7 0 13.65 1.05 -2 -7 0 13.99 0.80 -2 -7 0 10.78 1.52 -2 7 0 12.82 1.14 -2 7 0 14.31 1.06 -2 7 0 16.18 1.63 -2 7 0 12.02 1.50 2 7 0 14.72 1.65 2 7 0 13.86 1.71 -2 7 0 12.64 1.56 2 7 0 11.39 1.55 -3 -7 0 -0.54 0.43 3 -7 0 1.21 0.82 3 -7 0 0.17 0.80 -3 -7 0 0.47 0.49 -3 -7 0 -0.25 0.76 3 -7 0 0.81 0.59 3 7 0 0.10 0.70 -3 7 0 0.44 0.63 3 7 0 0.28 0.93 -3 7 0 0.10 0.68 -3 7 0 -0.24 0.48 3 7 0 0.43 0.76 4 -7 0 369.43 11.40 -4 -7 0 368.82 11.74 4 -7 0 382.00 11.69 4 -7 0 369.27 11.96 -4 -7 0 378.97 10.89 -4 -7 0 373.51 11.36 -4 7 0 361.45 11.70 -4 7 0 378.11 11.31 -4 7 0 375.73 11.38 4 7 0 376.15 12.46 4 7 0 385.36 12.41 4 7 0 378.83 11.75 4 7 0 364.00 12.07 5 -7 0 -0.18 0.66 -5 -7 0 0.74 0.77 -5 -7 0 1.15 0.68 -5 -7 0 0.90 0.73 5 -7 0 0.89 0.75 5 7 0 1.06 1.09 -5 7 0 0.75 0.62 -5 7 0 0.92 0.78 5 7 0 0.28 1.04 6 -7 0 19.20 1.73 -6 -7 0 15.59 1.84 6 -7 0 16.76 2.26 -6 -7 0 19.43 2.00 6 7 0 18.67 2.49 6 7 0 1.71 15.60 -6 7 0 15.06 2.03 6 7 0 15.79 2.20 -6 7 0 20.97 1.53 7 -7 0 107.75 4.27 -7 -7 0 115.59 5.16 7 -7 0 122.34 5.70 -7 -7 0 121.55 4.95 7 7 0 107.02 5.72 -7 7 0 116.09 5.51 7 7 0 121.05 5.82 -7 7 0 108.44 4.30 -7 7 0 116.11 4.28 -8 -7 0 7.25 1.70 8 -7 0 2.12 1.39 -8 -7 0 7.64 1.44 -8 7 0 7.45 1.02 -8 7 0 5.19 0.88 -8 7 0 3.12 1.44 8 7 0 3.19 1.51 8 7 0 3.48 1.60 -9 -7 0 7.65 1.49 -9 -7 0 5.19 1.75 9 -7 0 8.01 2.04 -9 7 0 7.07 0.93 9 7 0 5.47 1.98 -9 7 0 7.47 1.87 9 7 0 7.25 2.05 -10 -7 0 7.37 1.83 10 -7 0 2.95 1.76 -10 -7 0 6.51 1.44 -10 7 0 4.91 1.75 10 7 0 1.44 1.67 -11 -7 0 7.80 2.24 11 -7 0 5.92 2.16 -11 7 0 2.26 1.77 11 7 0 7.30 2.14 -12 -7 0 89.74 6.07 12 -7 0 80.13 5.93 -12 7 0 93.84 6.37 12 7 0 88.12 6.24 13 -7 0 3.14 2.19 -13 -7 0 -0.05 1.66 13 7 0 0.71 1.85 -13 7 0 -0.09 1.96 0 -8 0 204.70 7.16 0 -8 0 197.41 7.15 0 8 0 198.56 7.16 0 8 0 211.02 7.18 1 -8 0 15.95 1.91 1 -8 0 11.41 1.57 -1 -8 0 9.97 1.57 -1 -8 0 14.21 1.88 1 8 0 13.13 1.69 -1 8 0 13.21 0.83 -1 8 0 13.93 1.68 -1 8 0 13.62 1.89 -1 8 0 11.60 1.59 -1 8 0 13.98 0.87 1 8 0 17.14 2.13 2 -8 0 239.07 8.35 -2 -8 0 248.19 6.92 2 -8 0 259.11 7.72 -2 -8 0 262.53 7.31 -2 -8 0 243.32 8.57 -2 8 0 257.96 7.44 -2 8 0 256.72 8.42 -2 8 0 252.07 7.77 -2 8 0 245.17 8.59 2 8 0 253.06 8.75 3 -8 0 536.20 15.01 3 -8 0 471.58 15.29 -3 -8 0 505.83 15.49 -3 -8 0 489.94 14.53 -3 -8 0 510.68 13.87 3 -8 0 485.27 15.10 3 8 0 499.00 15.84 -3 8 0 524.90 15.70 -3 8 0 509.72 15.14 -3 8 0 520.59 15.06 -3 8 0 510.84 14.34 -4 -8 0 40.21 2.12 -4 -8 0 41.81 2.07 4 -8 0 35.12 2.30 4 -8 0 40.06 2.36 4 -8 0 39.84 2.78 -4 -8 0 44.98 2.79 -4 8 0 42.94 2.43 4 8 0 44.16 3.06 -4 8 0 43.52 2.39 -4 8 0 38.19 2.35 -5 -8 0 173.21 6.18 -5 -8 0 173.60 6.63 5 -8 0 168.50 6.18 -5 -8 0 172.69 5.96 5 -8 0 179.37 7.01 5 8 0 175.15 7.08 -5 8 0 170.69 6.56 5 8 0 162.67 7.09 -5 8 0 175.82 6.14 6 -8 0 326.87 10.47 6 -8 0 325.73 11.50 -6 -8 0 332.71 11.03 -6 -8 0 334.02 10.96 6 8 0 323.12 11.70 -6 8 0 339.06 11.47 -6 8 0 341.34 10.47 6 8 0 349.85 12.14 -7 -8 0 54.21 3.31 -7 -8 0 53.80 3.30 7 -8 0 61.95 2.97 7 -8 0 52.14 3.74 -7 8 0 54.72 3.65 7 8 0 56.24 3.92 7 8 0 61.15 4.21 -7 8 0 65.67 2.96 -8 -8 0 110.64 5.38 -8 -8 0 110.29 4.99 8 -8 0 102.61 5.67 -8 8 0 107.57 5.66 -8 8 0 118.05 4.36 8 8 0 117.89 6.26 8 8 0 106.59 5.93 -8 8 0 109.05 4.33 9 -8 0 21.44 3.08 -9 -8 0 23.64 2.83 -9 8 0 14.97 2.59 9 8 0 20.16 3.10 -9 8 0 15.52 1.47 9 8 0 21.70 3.15 10 -8 0 11.73 2.56 -10 -8 0 6.90 1.95 -10 -8 0 7.57 1.65 10 8 0 12.51 2.71 -10 8 0 9.80 2.32 10 8 0 6.61 2.25 -11 -8 0 109.15 6.13 11 -8 0 100.42 6.39 -11 8 0 102.43 6.44 11 8 0 102.71 6.55 -12 -8 0 1.35 1.94 12 -8 0 0.38 1.82 -12 8 0 2.51 1.95 12 8 0 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38.25 2.66 6 9 0 6.64 19.84 6 9 0 32.68 3.44 7 -9 0 185.54 6.74 -7 -9 0 177.76 7.14 7 -9 0 195.59 8.05 -7 -9 0 188.68 7.29 7 9 0 198.48 8.30 -7 9 0 186.65 7.71 -7 9 0 189.50 6.71 7 9 0 184.73 8.29 -8 -9 0 29.77 2.97 -8 -9 0 36.95 2.84 8 -9 0 27.23 2.09 8 -9 0 29.15 3.43 8 9 0 22.56 3.24 -8 9 0 30.63 2.10 -8 9 0 29.11 3.24 -8 9 0 28.14 2.04 8 9 0 26.59 3.34 9 -9 0 163.08 7.72 -9 -9 0 149.12 6.88 -9 9 0 165.02 5.74 9 9 0 137.80 7.67 -9 9 0 161.21 7.55 9 9 0 154.86 7.73 10 -9 0 164.11 8.16 -10 -9 0 162.20 6.78 -10 -9 0 167.00 7.61 10 9 0 155.41 8.35 -10 9 0 164.59 8.10 10 9 0 183.14 8.62 11 -9 0 18.49 3.33 -11 -9 0 17.14 2.91 -11 9 0 16.37 3.08 11 9 0 17.80 3.21 -12 -9 0 58.78 4.81 12 -9 0 69.34 6.31 -12 9 0 68.47 6.25 12 9 0 62.34 6.24 13 -9 0 1.06 1.91 -13 -9 0 1.66 1.96 -13 9 0 2.55 2.21 13 9 0 5.38 2.46 0 10 0 82.15 4.13 -1 -10 0 19.73 2.27 1 -10 0 23.45 2.42 -1 10 0 21.93 1.04 -1 10 0 20.62 2.25 1 10 0 21.66 2.33 -1 10 0 21.48 1.08 -2 -10 0 13.30 1.96 2 -10 0 10.10 1.63 -2 10 0 10.03 1.07 -2 10 0 8.07 1.52 -2 10 0 10.53 1.03 2 10 0 14.31 1.97 -3 -10 0 43.16 1.79 3 -10 0 47.57 2.95 -3 -10 0 42.78 3.00 -3 -10 0 46.94 1.92 -3 10 0 40.90 2.93 -3 10 0 43.58 2.22 -3 10 0 46.06 2.37 3 10 0 41.00 3.07 4 -10 0 3.74 1.29 -4 -10 0 2.99 0.71 4 -10 0 1.92 0.99 -4 -10 0 2.32 0.65 -4 -10 0 3.02 1.17 -4 10 0 1.59 1.09 -4 10 0 3.47 0.96 -4 10 0 1.79 0.83 4 10 0 2.10 1.28 5 -10 0 21.65 2.63 -5 -10 0 18.86 2.29 -5 -10 0 24.71 1.68 5 -10 0 20.50 2.18 -5 -10 0 20.84 1.67 -5 10 0 20.82 2.20 5 10 0 21.40 2.78 5 10 0 20.99 2.59 6 -10 0 20.19 2.21 -6 -10 0 20.43 2.47 -6 -10 0 19.91 2.03 6 -10 0 23.99 2.95 6 10 0 23.11 2.88 6 10 0 20.33 2.89 -6 10 0 21.70 2.45 -7 -10 0 72.89 4.16 7 -10 0 69.88 3.58 7 -10 0 61.83 4.29 -7 -10 0 63.21 3.65 7 10 0 77.74 4.84 7 10 0 65.00 4.64 -7 10 0 71.09 4.16 -8 -10 0 62.64 3.90 8 -10 0 60.49 3.32 -8 -10 0 61.47 3.84 8 -10 0 62.93 4.45 8 10 0 64.46 4.63 -8 10 0 61.24 4.14 8 10 0 59.33 4.63 -9 -10 0 14.88 2.24 9 -10 0 17.70 2.91 -9 -10 0 8.72 2.05 -9 10 0 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142.99 6.65 8 12 0 141.75 7.51 8 12 0 147.19 7.78 -8 12 0 142.61 6.85 9 -12 0 64.88 5.01 -9 -12 0 63.72 4.30 -9 -12 0 57.46 4.01 9 -12 0 72.44 3.88 -9 12 0 62.79 3.59 9 12 0 68.73 5.25 9 12 0 66.23 6.09 -9 12 0 64.20 4.75 -10 -12 0 122.13 6.23 10 -12 0 123.64 7.18 -10 -12 0 117.12 6.01 10 12 0 105.64 7.07 10 12 0 121.93 7.24 -10 12 0 116.37 6.70 11 -12 0 68.25 6.33 -11 -12 0 68.20 4.96 -11 12 0 63.84 5.23 11 12 0 77.78 6.09 11 12 0 74.64 6.69 12 -12 0 -3.21 1.49 -12 -12 0 1.05 1.60 12 12 0 2.47 2.03 -12 12 0 2.70 2.00 12 12 0 0.63 1.78 0 -13 0 0.47 1.12 0 13 0 0.29 1.00 1 -13 0 249.32 9.35 -1 -13 0 250.87 9.43 -1 13 0 231.62 9.22 1 13 0 239.98 9.46 -2 -13 0 173.47 7.51 2 -13 0 175.94 7.40 2 13 0 174.84 7.56 -2 13 0 171.38 5.61 -2 13 0 177.35 5.37 -2 13 0 175.30 7.44 3 -13 0 29.87 3.06 3 13 0 22.25 2.93 -3 13 0 22.48 1.66 -3 13 0 21.22 1.57 -3 13 0 26.37 3.02 4 -13 0 139.61 6.41 -4 -13 0 144.55 4.53 -4 -13 0 151.07 4.84 -4 13 0 150.77 5.74 4 13 0 141.47 6.99 -4 13 0 153.07 6.94 -5 -13 0 70.13 3.09 -5 -13 0 68.76 2.90 5 -13 0 69.21 4.17 5 13 0 78.14 4.94 -5 13 0 63.46 4.32 -5 13 0 64.89 3.62 6 -13 0 66.61 4.08 -6 -13 0 70.57 3.41 6 -13 0 59.41 4.41 6 13 0 63.01 4.77 6 13 0 70.30 4.84 -6 13 0 64.37 4.47 -6 13 0 66.37 3.87 7 -13 0 138.76 7.12 -7 -13 0 148.88 6.93 7 -13 0 131.59 6.15 -7 -13 0 139.38 5.83 7 13 0 156.19 7.61 -7 13 0 141.91 6.48 -7 13 0 138.56 7.08 7 13 0 130.60 7.35 8 -13 0 2.16 1.82 -8 -13 0 1.68 1.19 -8 -13 0 3.62 1.54 8 -13 0 3.14 1.30 8 13 0 1.36 1.80 -8 13 0 1.45 1.32 8 13 0 -0.14 1.54 -9 -13 0 157.08 7.22 -9 -13 0 150.53 6.77 9 -13 0 135.95 7.65 -9 13 0 146.48 7.36 9 13 0 156.28 8.47 9 13 0 149.74 8.09 -10 -13 0 89.27 5.36 10 -13 0 96.72 6.39 -10 -13 0 91.34 5.32 10 13 0 100.13 6.78 10 13 0 82.90 6.19 -10 13 0 92.66 5.91 -11 -13 0 14.04 2.77 11 -13 0 15.61 3.37 11 13 0 10.05 3.09 -11 13 0 20.38 3.45 11 13 0 10.66 3.05 12 -13 0 83.62 6.65 -12 13 0 97.15 6.87 12 13 0 108.01 7.34 12 13 0 88.11 6.99 0 -14 0 39.86 3.73 0 14 0 34.66 3.48 -1 -14 0 1.26 1.26 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43.15 2.82 6 3 -9 47.76 3.26 -6 3 9 47.20 3.65 5 -3 -9 14.58 1.89 5 -3 -9 17.72 2.03 -5 -3 9 12.92 2.04 -5 -3 9 13.70 2.20 -5 3 9 15.19 2.14 5 3 -9 17.84 2.13 -5 3 9 11.95 2.14 5 3 -9 13.55 1.80 -4 -3 9 167.93 7.10 4 -3 -9 167.58 6.69 -4 -3 9 179.46 6.96 4 -3 -9 162.27 6.17 -4 3 9 162.62 7.04 4 3 -9 167.81 6.32 -4 3 9 164.86 6.86 4 3 -9 180.56 6.84 3 -3 -9 161.37 6.48 -3 -3 9 148.35 6.31 -3 -3 9 159.44 6.66 3 -3 -9 156.89 5.56 -3 -3 9 163.05 5.80 -3 3 9 161.05 6.73 -3 3 9 161.72 6.47 3 3 -9 144.94 6.28 3 3 -9 156.79 5.66 -3 3 9 157.67 5.59 3 3 -9 152.38 5.75 -2 -3 9 -0.87 0.74 2 -3 -9 1.55 1.03 -2 -3 9 0.58 0.57 2 -3 -9 1.27 0.60 -2 3 9 1.38 0.60 -2 3 9 1.29 0.82 2 3 -9 0.20 0.66 2 3 -9 1.51 0.92 2 3 -9 1.29 0.68 -2 3 9 0.86 1.08 -1 -3 9 275.11 8.17 1 -3 -9 278.54 10.00 -1 -3 9 267.04 9.43 1 3 -9 263.40 9.77 -1 3 9 270.04 8.11 -1 3 9 266.73 9.45 1 3 -9 264.77 8.06 1 3 -9 274.72 8.24 0 -3 9 207.54 6.17 0 -3 -9 206.58 8.19 0 -3 9 206.01 7.72 0 3 9 204.53 6.03 0 3 -9 210.26 6.25 0 3 -9 201.57 6.10 0 3 9 204.09 7.70 0 3 9 210.92 6.20 0 3 -9 206.17 8.04 1 -3 9 95.07 4.54 -1 -3 -9 97.21 5.00 1 3 9 100.74 3.18 -1 3 -9 96.15 3.06 1 3 9 96.70 3.04 -1 3 -9 111.57 5.07 -1 3 -9 95.46 3.15 2 -3 9 104.99 4.92 -2 -3 -9 110.57 3.43 -2 -3 -9 109.81 5.36 2 3 9 104.25 3.49 -2 3 -9 105.01 3.43 2 3 9 104.88 3.43 2 3 9 101.63 4.86 -2 3 -9 103.59 5.15 -3 -3 -9 35.36 1.68 -3 -3 -9 35.08 3.41 3 -3 9 29.83 2.91 3 3 9 29.82 2.88 -3 3 -9 36.15 2.85 3 3 9 33.66 1.70 -3 3 -9 30.99 1.61 -3 3 -9 34.42 1.68 -4 -3 -9 53.72 2.48 -4 -3 -9 50.05 3.64 4 -3 9 51.83 3.53 4 -3 9 49.97 2.40 -4 3 -9 57.10 2.53 4 3 9 54.08 3.57 -4 3 -9 52.44 3.64 4 3 9 53.01 2.49 -5 -3 -9 169.87 7.67 5 -3 9 168.92 7.37 -5 -3 -9 183.01 6.24 5 -3 9 169.30 6.02 -5 3 -9 170.48 7.44 5 3 9 175.35 6.19 -5 3 -9 185.60 6.20 -5 3 -9 174.51 6.24 5 3 9 174.51 7.37 6 -3 9 11.09 2.24 6 -3 9 14.41 1.74 -6 -3 -9 8.98 2.00 6 3 9 11.60 2.20 6 3 9 11.24 1.60 -6 3 -9 11.06 2.01 7 -3 9 80.94 4.14 7 -3 9 82.62 5.19 -7 -3 -9 94.69 5.45 7 3 9 91.11 5.28 7 3 9 83.50 4.24 -7 3 -9 86.83 4.99 8 -3 9 63.71 3.80 -8 -3 -9 66.83 4.55 8 -3 9 60.16 4.65 -8 -3 -9 66.87 4.80 8 3 9 63.53 3.86 -8 3 -9 64.48 4.82 8 3 9 55.00 4.99 -8 3 -9 68.28 4.40 -9 -3 -9 28.92 3.51 -9 -3 -9 29.81 3.36 9 -3 9 26.94 3.06 -9 -3 -9 28.38 3.70 -9 3 -9 30.23 3.90 -9 3 -9 31.25 3.48 9 3 9 26.10 3.57 -10 -3 -9 117.08 6.24 -10 -3 -9 129.51 7.36 10 -3 9 131.62 6.40 -10 -3 -9 130.58 6.86 -10 3 -9 115.62 7.09 -10 3 -9 132.00 6.57 10 3 9 126.10 6.33 -11 -3 -9 -1.34 1.04 -11 -3 -9 1.55 1.58 11 -3 9 3.93 1.89 -11 -3 -9 2.57 1.85 -11 3 -9 5.43 2.52 11 3 9 0.10 1.55 -12 -3 -9 9.14 2.93 12 -3 9 4.31 2.60 -12 3 -9 9.89 3.14 12 3 9 4.02 2.45 13 -4 -9 0.04 1.95 -13 -4 9 0.59 1.99 -13 4 9 -2.16 1.86 13 4 -9 1.18 1.93 12 -4 -9 22.74 3.88 -12 -4 9 21.83 3.73 12 4 -9 25.17 3.95 -12 4 9 22.40 3.90 11 -4 -9 2.03 1.89 -11 -4 9 2.06 1.84 11 4 -9 1.01 1.75 -11 4 9 1.50 1.91 10 -4 -9 5.08 2.01 -10 -4 9 5.46 2.14 -10 4 9 7.27 2.39 10 4 -9 2.30 1.77 -9 -4 9 0.21 1.37 9 -4 -9 1.18 1.49 -9 4 9 2.48 1.74 9 4 -9 -0.56 0.76 9 4 -9 1.08 1.46 -8 -4 9 4.24 1.76 8 -4 -9 7.31 1.22 8 -4 -9 6.96 1.92 8 -4 -9 7.05 1.12 -8 4 9 8.31 2.20 8 4 -9 8.00 1.43 8 4 -9 5.01 1.70 7 -4 -9 7.92 1.44 -7 -4 9 5.48 1.80 7 -4 -9 7.64 1.83 -7 -4 9 8.06 2.00 7 -4 -9 4.72 1.10 7 4 -9 7.95 1.82 -7 4 9 8.89 1.23 7 4 -9 7.93 1.42 -7 4 9 7.95 2.08 6 -4 -9 4.60 1.23 -6 -4 9 8.35 1.81 -6 -4 9 2.84 1.42 6 -4 -9 5.75 1.51 -6 4 9 5.12 1.09 6 4 -9 5.96 1.29 6 4 -9 3.78 1.34 -6 4 9 6.47 1.76 -6 4 9 7.53 1.76 5 -4 -9 8.15 1.50 -5 -4 9 7.33 1.71 -5 -4 9 8.01 1.68 5 -4 -9 6.95 1.44 5 4 -9 7.44 1.41 5 4 -9 9.00 1.61 -5 4 9 9.87 1.93 -5 4 9 9.65 1.87 4 -4 -9 1.96 1.04 -4 -4 9 1.16 1.01 -4 -4 9 3.59 1.20 4 -4 -9 3.81 1.10 4 4 -9 1.16 0.96 -4 4 9 1.02 1.08 -4 4 9 4.20 1.41 4 4 -9 3.12 1.07 4 4 -9 2.98 1.04 -3 -4 9 12.20 1.87 3 -4 -9 12.96 1.87 -3 -4 9 15.82 2.16 3 -4 -9 11.34 1.45 -3 -4 9 13.01 1.58 -3 4 9 17.34 2.34 -3 4 9 13.02 1.92 3 4 -9 12.35 1.63 3 4 -9 12.48 1.81 3 4 -9 11.37 1.49 -3 4 9 13.05 1.50 -2 -4 9 46.45 3.03 2 -4 -9 40.53 2.99 -2 -4 9 47.87 2.41 2 -4 -9 45.99 2.32 -2 4 9 44.89 3.16 -2 4 9 42.13 2.95 -2 4 9 44.26 2.25 2 4 -9 44.48 2.35 2 4 -9 43.80 2.46 2 4 -9 47.51 3.10 -1 -4 9 31.07 2.87 -1 -4 9 36.30 1.88 1 -4 -9 35.17 2.83 -1 4 9 33.44 1.78 1 4 -9 34.66 1.91 1 4 -9 27.22 2.75 1 4 -9 36.98 1.98 -1 4 9 33.59 2.62 -1 4 9 35.76 1.85 0 -4 -9 11.04 1.95 0 -4 9 13.65 1.16 0 -4 9 13.72 1.92 0 4 9 12.88 1.88 0 4 -9 15.37 2.02 0 4 -9 13.90 1.20 0 4 9 13.68 1.04 0 4 9 12.48 1.13 -1 -4 -9 17.28 2.35 1 -4 9 17.20 2.07 -1 4 -9 17.77 2.24 -1 4 -9 19.93 1.23 1 4 9 18.33 1.15 1 4 9 18.69 1.22 -1 4 -9 18.64 1.15 2 -4 9 9.30 1.68 -2 -4 -9 12.46 2.11 -2 -4 -9 9.51 0.94 2 4 9 8.86 1.02 2 4 9 10.51 1.73 -2 4 -9 10.01 0.98 2 4 9 8.09 0.95 -2 4 -9 8.40 1.73 -2 4 -9 8.40 0.90 -3 -4 -9 34.76 3.46 3 -4 9 39.98 3.00 -3 -4 -9 40.84 1.99 3 4 9 40.51 2.04 -3 4 -9 37.83 1.92 3 4 9 37.54 2.88 -3 4 -9 41.49 3.08 3 4 9 44.01 2.14 4 -4 9 11.53 2.00 -4 -4 -9 9.75 2.03 4 -4 9 9.47 1.20 -4 -4 -9 10.15 1.26 -4 4 -9 10.86 1.27 4 4 9 8.30 1.77 -4 4 -9 14.92 2.18 4 4 9 10.77 1.37 4 4 9 9.99 1.28 -4 4 -9 13.75 1.42 5 -4 9 27.49 1.97 5 -4 9 23.83 2.92 -5 -4 -9 19.02 2.74 -5 -4 -9 21.64 2.00 -5 4 -9 24.36 1.83 5 4 9 26.37 1.98 -5 4 -9 17.83 2.46 5 4 9 25.06 2.87 6 -4 9 28.27 2.19 -6 -4 -9 29.03 3.39 6 -4 9 31.68 3.49 -6 4 -9 35.26 3.42 6 4 9 21.06 2.84 6 4 9 29.39 2.29 7 -4 9 3.19 1.66 -7 -4 -9 1.97 1.67 7 -4 9 3.41 1.23 7 4 9 2.54 1.54 -7 4 -9 5.08 1.57 7 4 9 1.57 1.17 8 -4 9 2.19 1.63 -8 -4 -9 1.00 1.54 -8 -4 -9 0.36 1.37 8 -4 9 -0.76 0.92 -8 -4 -9 0.15 1.44 -8 4 -9 -0.10 1.25 8 4 9 0.29 1.04 -8 4 -9 -1.02 1.33 8 4 9 0.23 1.34 -9 -4 -9 51.11 3.89 -9 -4 -9 49.30 4.07 9 -4 9 49.45 3.62 -9 -4 -9 41.69 4.48 9 4 9 52.83 3.78 -9 4 -9 52.82 3.95 9 4 9 43.36 4.58 -9 4 -9 46.74 4.91 -10 -4 -9 7.29 2.16 10 -4 9 6.73 1.99 -10 -4 -9 8.91 2.59 -10 -4 -9 3.63 1.87 -10 4 -9 7.49 1.96 -10 4 -9 5.79 2.32 -11 -4 -9 -1.98 1.33 -11 -4 -9 2.17 1.99 -11 -4 -9 -0.44 1.53 11 -4 9 -0.67 1.36 11 4 9 -0.63 1.42 -11 4 -9 -0.54 1.77 -12 -4 -9 2.64 2.27 12 -4 9 7.16 3.44 -12 4 -9 0.20 2.14 -13 -5 9 9.82 2.93 13 -5 -9 8.83 3.07 -13 5 9 7.27 2.77 13 5 -9 11.17 3.01 12 -5 -9 21.62 3.69 -12 -5 9 23.62 3.87 12 5 -9 21.73 3.80 -12 5 9 22.70 3.94 11 -5 -9 12.62 2.88 -11 -5 9 15.93 3.14 11 5 -9 18.28 3.33 -11 5 9 15.80 3.21 10 -5 -9 7.37 2.32 -10 -5 9 6.45 2.15 10 5 -9 3.36 1.62 -10 5 9 4.43 2.15 9 -5 -9 54.04 4.88 -9 -5 9 63.71 4.70 -9 5 9 50.82 5.07 9 5 -9 58.65 4.51 9 5 -9 64.44 3.42 8 -5 -9 17.34 2.63 -8 -5 9 18.35 2.88 8 -5 -9 15.47 1.61 8 -5 -9 19.35 1.89 8 5 -9 13.86 1.89 -8 5 9 17.95 3.03 8 5 -9 11.42 2.37 7 -5 -9 31.52 2.24 -7 -5 9 34.84 3.51 7 -5 -9 32.75 3.34 -7 -5 9 35.21 3.70 7 -5 -9 27.55 2.26 -7 5 9 34.81 3.81 -7 5 9 34.19 2.23 7 5 -9 33.30 2.47 7 5 -9 32.50 3.42 6 -5 -9 57.72 3.13 6 -5 -9 59.31 3.42 -6 -5 9 55.39 3.69 6 -5 -9 65.05 3.90 -6 -5 9 52.13 3.80 6 5 -9 60.37 3.78 6 5 -9 58.46 3.42 6 5 -9 63.16 3.95 -6 5 9 58.79 3.95 -6 5 9 55.04 4.01 5 -5 -9 1.10 0.95 5 -5 -9 1.73 1.02 -5 -5 9 -0.45 0.84 5 -5 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5 -9 1.63 1.09 -1 -5 -9 13.34 2.15 1 -5 9 15.84 2.04 1 5 9 16.41 1.22 -1 5 -9 15.12 1.23 1 5 9 17.99 2.15 -1 5 -9 16.03 1.18 1 5 9 17.91 1.34 -1 5 -9 14.40 2.05 -2 -5 -9 69.91 4.41 2 -5 9 75.40 3.99 -2 -5 -9 78.38 3.00 -2 5 -9 72.41 2.95 -2 5 -9 74.81 2.92 -2 5 -9 74.88 4.26 2 5 9 71.77 3.05 2 5 9 70.46 3.87 -3 -5 -9 -0.04 1.11 3 -5 9 0.95 1.03 -3 -5 -9 0.95 0.55 -3 5 -9 0.76 0.58 -3 5 -9 0.24 0.90 -3 5 -9 0.01 0.48 3 5 9 1.13 0.74 3 5 9 0.18 0.84 3 5 9 0.47 0.61 -4 -5 -9 105.58 4.16 -4 -5 -9 92.46 5.43 4 -5 9 101.15 5.13 -4 5 -9 106.62 4.11 -4 5 -9 106.44 5.37 -4 5 -9 108.55 4.16 4 5 9 96.03 4.20 4 5 9 106.46 5.14 4 5 9 105.01 4.21 -5 -5 -9 17.20 2.70 5 -5 9 15.46 2.49 5 -5 9 16.98 1.85 5 5 9 16.12 2.42 5 5 9 20.06 2.04 5 5 9 20.06 2.11 -5 5 -9 16.56 2.36 -6 -5 -9 14.76 2.59 6 -5 9 16.93 2.00 6 -5 9 18.49 2.77 6 5 9 15.75 2.53 6 5 9 19.71 2.21 -6 5 -9 15.68 2.37 -7 -5 -9 79.01 4.87 7 -5 9 91.51 4.43 -7 -5 -9 83.51 5.30 7 -5 9 90.71 5.39 7 5 9 86.24 4.49 -7 5 -9 87.85 5.08 7 5 9 94.54 5.32 8 -5 9 3.72 1.86 -8 -5 -9 4.36 1.83 8 -5 9 3.31 1.40 -8 -5 -9 2.35 1.64 -8 -5 -9 2.27 1.77 -8 5 -9 2.24 1.51 8 5 9 1.10 1.19 -8 5 -9 2.60 1.73 8 5 9 0.38 1.43 -9 -5 -9 21.80 3.08 -9 -5 -9 14.29 2.81 9 -5 9 14.72 2.48 -9 -5 -9 16.50 2.92 9 5 9 16.68 2.59 9 5 9 16.32 2.99 -9 5 -9 18.01 3.21 -9 5 -9 19.39 2.77 -10 -5 -9 19.76 3.45 -10 -5 -9 21.13 3.06 10 -5 9 25.44 3.25 -10 -5 -9 28.50 3.72 -10 5 -9 24.09 3.84 10 5 9 25.83 3.32 -10 5 -9 20.21 2.84 11 -5 9 14.96 2.74 -11 -5 -9 7.75 2.61 -11 -5 -9 9.82 2.40 -11 -5 -9 7.11 2.35 -11 5 -9 12.15 3.01 -12 -5 -9 34.80 4.68 -12 5 -9 41.95 5.24 -13 -6 9 58.75 6.07 13 -6 -9 50.52 5.73 -13 6 9 44.80 5.49 13 6 -9 52.66 5.91 12 -6 -9 59.84 5.95 -12 -6 9 60.06 5.93 12 6 -9 53.92 5.70 -12 6 9 62.79 6.32 -11 -6 9 20.89 3.53 11 -6 -9 33.28 4.37 -11 6 9 21.94 3.65 11 6 -9 18.96 3.53 10 -6 -9 161.40 8.08 -10 -6 9 164.03 8.23 -10 6 9 160.75 8.44 10 6 -9 157.32 8.14 -9 -6 9 28.69 3.83 9 -6 -9 22.78 3.24 9 6 -9 24.19 2.41 9 6 -9 29.39 3.61 -9 6 9 25.02 3.56 -8 -6 9 164.94 7.65 8 -6 -9 181.74 6.26 8 -6 -9 183.53 7.98 8 -6 -9 163.64 6.50 -8 -6 9 169.86 8.00 -8 6 9 180.54 8.40 8 6 -9 185.39 8.18 8 6 -9 181.35 7.08 7 -6 -9 118.48 5.07 7 -6 -9 106.18 4.64 7 -6 -9 112.16 5.69 -7 -6 9 121.09 6.07 -7 -6 9 121.11 5.82 7 6 -9 115.91 5.31 -7 6 9 107.77 6.08 -7 6 9 106.92 5.08 7 6 -9 117.02 5.88 7 6 -9 117.31 6.03 -6 -6 9 47.36 3.50 6 -6 -9 44.80 2.97 6 -6 -9 38.60 3.54 6 -6 -9 41.83 2.72 -6 -6 9 48.40 3.36 6 6 -9 43.66 3.03 6 6 -9 42.33 3.24 -6 6 9 39.32 3.75 -6 6 9 38.93 3.81 6 6 -9 48.27 3.62 5 -6 -9 148.84 6.08 5 -6 -9 158.45 6.59 -5 -6 9 148.84 6.72 5 -6 -9 153.67 6.36 -5 -6 9 151.27 6.55 5 6 -9 163.48 6.61 5 6 -9 159.41 6.69 -5 6 9 156.00 6.71 5 6 -9 150.26 6.47 -5 6 9 163.96 7.11 4 -6 -9 120.79 5.18 -4 -6 9 120.41 5.50 -4 -6 9 119.74 5.65 4 -6 -9 126.54 5.42 4 -6 -9 122.48 5.70 -4 6 9 123.65 5.64 4 6 -9 120.88 5.47 4 6 -9 127.57 5.39 -4 6 9 125.26 5.90 4 6 -9 126.21 5.68 -3 -6 9 17.88 2.33 3 -6 -9 19.18 2.27 3 -6 -9 18.90 1.94 -3 -6 9 18.71 2.21 3 -6 -9 59.28 37.93 3 -6 -9 19.33 2.42 3 6 -9 17.15 2.02 -3 6 9 18.71 2.38 3 6 -9 16.05 2.21 3 6 -9 17.77 1.95 -3 6 9 17.21 2.18 -2 -6 9 376.17 12.53 2 -6 -9 378.10 13.51 -2 -6 9 386.83 12.06 2 6 -9 390.74 12.23 -2 6 9 403.13 11.82 -2 6 9 399.64 12.74 2 6 -9 370.93 11.91 2 6 -9 385.38 13.37 -2 6 9 386.77 13.09 -2 6 9 384.87 11.99 1 -6 -9 7.83 1.71 -1 -6 9 7.09 1.12 -1 -6 9 5.21 1.31 -1 6 9 6.53 1.46 -1 6 9 5.80 1.03 1 6 -9 6.69 1.59 1 6 -9 5.70 1.16 -1 6 9 5.60 1.04 0 -6 9 132.37 4.80 0 -6 9 123.29 5.39 0 -6 -9 135.52 6.34 0 6 9 135.59 5.68 0 6 -9 129.14 4.83 0 6 9 129.98 4.80 0 6 9 131.74 4.68 0 6 -9 136.13 6.17 -1 -6 -9 344.68 13.10 1 -6 9 349.42 11.72 -1 6 -9 362.10 10.87 1 6 9 381.59 11.95 1 6 9 378.64 10.92 1 6 9 373.49 11.21 -1 6 -9 362.28 11.10 -1 6 -9 368.76 12.91 2 -6 9 19.18 2.30 -2 -6 -9 18.38 1.45 -2 -6 -9 19.10 2.66 -2 6 -9 13.79 2.18 -2 6 -9 18.39 1.43 -2 6 -9 18.25 1.46 2 6 9 17.10 1.67 2 6 9 17.89 2.18 3 -6 9 147.03 6.27 -3 -6 -9 155.59 5.37 -3 -6 -9 153.95 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9.14 6 4 -10 234.26 8.85 -5 -4 10 88.07 5.04 5 -4 -10 95.15 4.69 -5 -4 10 90.61 4.89 5 -4 -10 86.06 4.36 -5 4 10 92.96 5.18 5 4 -10 94.85 4.65 5 4 -10 90.50 4.48 -5 4 10 95.72 5.05 4 -4 -10 16.73 2.20 4 -4 -10 15.43 1.86 -4 -4 10 13.21 2.08 -4 -4 10 15.52 2.30 4 4 -10 13.78 2.02 4 4 -10 16.16 2.03 -4 4 10 13.06 2.16 4 4 -10 13.10 1.75 -4 4 10 15.44 2.29 -3 -4 10 210.63 7.14 -3 -4 10 204.48 8.20 3 -4 -10 202.20 6.91 3 -4 -10 190.56 7.99 -3 -4 10 202.90 7.89 -3 4 10 201.11 7.92 3 4 -10 201.85 7.16 3 4 -10 195.86 6.95 -3 4 10 202.67 6.89 -3 4 10 198.42 8.12 3 4 -10 200.26 7.99 2 -4 -10 217.78 8.49 -2 -4 10 214.03 7.02 2 -4 -10 209.62 6.85 -2 -4 10 215.84 8.14 -2 4 10 220.37 8.22 2 4 -10 210.71 7.09 2 4 -10 210.38 8.32 -2 4 10 209.18 6.86 -2 4 10 196.74 8.30 2 4 -10 206.12 6.93 -1 -4 10 74.60 2.99 -1 -4 10 70.37 4.05 1 -4 -10 75.16 4.34 -1 4 10 74.43 4.13 1 4 -10 75.37 4.25 1 4 -10 74.87 3.08 -1 4 10 77.19 2.99 1 4 -10 71.99 2.96 -1 4 10 73.62 2.88 0 -4 -10 386.17 13.61 0 -4 10 379.84 11.08 0 -4 10 368.69 12.67 0 4 -10 372.72 10.96 0 4 -10 382.80 13.44 0 4 10 392.32 12.83 0 4 10 403.71 10.90 0 4 -10 383.86 11.19 0 4 10 377.95 11.14 1 -4 10 45.32 3.07 -1 -4 -10 43.70 3.40 1 4 10 34.08 3.16 1 4 10 46.29 1.92 -1 4 -10 44.29 1.78 -1 4 -10 38.39 3.10 1 4 10 44.04 1.77 -1 4 -10 42.66 1.85 -2 -4 -10 52.18 2.05 2 -4 10 49.64 3.35 -2 -4 -10 56.72 3.89 2 4 10 52.59 2.13 -2 4 -10 49.37 2.05 -2 4 -10 52.30 3.61 2 4 10 53.09 2.09 2 4 10 51.87 2.16 2 4 10 54.20 3.46 -2 4 -10 49.99 2.08 3 -4 10 187.15 7.68 -3 -4 -10 191.92 8.38 -3 4 -10 185.77 8.08 3 4 10 196.29 7.73 3 4 10 195.01 6.25 -3 4 -10 203.12 6.10 3 4 10 191.68 6.11 -3 4 -10 190.28 6.10 4 -4 10 10.87 2.06 -4 -4 -10 8.52 1.13 -4 -4 -10 8.44 2.02 4 4 10 9.42 1.89 -4 4 -10 8.34 1.92 -4 4 -10 9.19 1.13 4 4 10 9.22 1.21 -4 4 -10 8.98 1.14 -5 -4 -10 204.90 6.94 5 -4 10 211.43 8.52 -5 -4 -10 192.95 8.77 5 -4 10 189.72 6.74 -5 4 -10 213.83 6.97 -5 4 -10 205.62 6.86 5 4 10 202.64 8.29 5 4 10 194.07 6.88 -5 4 -10 198.99 8.60 6 -4 10 199.34 8.55 -6 -4 -10 191.58 8.81 6 -4 10 204.49 7.04 -6 4 -10 190.46 8.47 6 4 10 191.60 7.08 6 4 10 194.85 8.38 7 -4 10 33.12 2.54 7 -4 10 28.02 3.56 -7 -4 -10 27.79 3.52 7 4 10 31.48 3.56 7 4 10 28.77 2.73 -7 4 -10 33.72 3.57 -8 -4 -10 197.75 9.19 8 -4 10 204.55 7.82 8 -4 10 203.27 9.17 8 4 10 198.42 9.02 -8 4 -10 207.51 8.96 8 4 10 203.28 7.93 -8 4 -10 192.68 9.30 -9 -4 -10 25.52 3.57 9 -4 10 21.85 2.78 -9 -4 -10 20.13 2.97 9 -4 10 21.84 3.53 -9 -4 -10 20.16 3.41 -9 4 -10 21.43 3.58 -9 4 -10 22.11 3.05 9 4 10 23.55 3.53 -10 -4 -10 57.80 4.48 -10 -4 -10 53.45 5.41 -10 -4 -10 50.34 4.94 10 -4 10 49.65 3.89 -10 4 -10 57.47 4.40 10 4 10 54.56 4.06 -10 4 -10 52.34 5.48 -11 -4 -10 61.49 6.10 -11 -4 -10 58.52 4.62 -11 -4 -10 56.76 5.40 -11 4 -10 63.14 6.28 13 -5 -10 4.56 2.43 -13 -5 10 2.95 2.30 -13 5 10 1.85 2.37 13 5 -10 4.86 2.32 12 -5 -10 53.39 5.69 -12 -5 10 58.68 5.93 -12 5 10 62.73 6.36 12 5 -10 64.14 6.20 -11 -5 10 42.41 4.95 11 -5 -10 40.28 4.60 11 5 -10 45.06 4.93 -11 5 10 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5 5 -14 51.63 4.00 -5 5 14 51.58 4.89 5 5 -14 55.10 3.52 -5 5 14 57.02 5.37 4 -5 -14 35.40 3.96 4 -5 -14 31.46 2.46 -4 -5 14 35.65 3.98 4 5 -14 37.61 2.62 4 5 -14 28.45 3.42 -4 5 14 33.46 3.88 -4 5 14 35.62 4.07 -3 -5 14 64.49 4.54 3 -5 -14 66.62 4.85 3 5 -14 59.73 3.18 3 5 -14 61.33 4.45 -3 5 14 64.23 3.19 -3 5 14 62.68 4.58 2 -5 -14 1.55 1.49 -2 -5 14 0.48 1.38 -2 5 14 0.54 0.64 2 5 -14 0.11 1.22 -2 5 14 -0.17 1.01 2 5 -14 0.81 0.73 -1 -5 14 101.26 5.68 1 -5 -14 100.55 6.08 1 5 -14 101.01 5.89 -1 5 14 93.07 3.57 1 5 -14 92.74 3.53 -1 5 14 103.91 5.74 0 -5 14 7.99 1.98 0 -5 -14 6.80 2.20 0 5 -14 6.17 0.69 0 5 14 7.19 0.76 0 5 14 8.94 2.21 0 5 -14 7.33 2.09 -1 -5 -14 30.67 3.90 1 -5 14 36.29 3.84 1 5 14 33.41 3.63 -1 5 -14 36.72 4.04 -2 -5 -14 142.54 7.86 2 -5 14 150.92 7.28 2 5 14 158.85 7.40 -2 5 -14 149.77 7.77 -3 -5 -14 13.80 3.01 3 -5 14 13.21 2.62 -3 5 -14 11.59 2.58 3 5 14 11.55 2.49 4 -5 14 30.70 3.78 -4 -5 -14 33.43 4.27 -4 5 -14 35.10 4.16 4 5 14 33.05 3.92 5 -5 14 227.59 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12 14 103.62 6.02 -1 12 -14 115.54 5.49 -2 -12 -14 13.16 3.26 2 -12 14 9.31 2.16 -2 -12 -14 11.77 2.86 2 12 14 7.61 2.03 -2 12 -14 7.13 2.40 -3 -12 -14 64.96 6.51 -3 -12 -14 58.18 5.86 3 -12 14 62.23 4.58 -3 12 -14 61.44 6.00 3 12 14 62.32 4.53 -4 -12 -14 25.37 4.39 -4 -12 -14 19.34 3.72 4 -12 14 22.28 3.37 -4 12 -14 24.17 4.04 4 12 14 22.40 3.38 -5 -12 -14 34.81 4.68 -5 -12 -14 36.49 5.25 5 -12 14 37.15 4.34 5 12 14 29.41 3.83 -5 12 -14 34.94 4.76 -6 -12 -14 46.73 5.50 -6 -12 -14 40.96 5.43 6 -12 14 43.52 4.86 -6 12 -14 45.58 5.26 6 12 14 44.19 4.59 -7 -12 -14 7.57 3.08 7 -12 14 15.21 3.42 -7 -12 -14 10.78 3.02 -7 12 -14 10.32 2.84 7 12 14 12.21 2.73 -7 12 -14 6.13 2.35 -8 -13 14 36.57 4.61 8 -13 -14 35.27 4.43 -8 -13 14 35.03 4.23 8 13 -14 39.77 4.73 -8 13 14 44.49 5.01 8 13 -14 46.57 5.12 -8 13 14 36.74 4.48 8 13 -14 49.16 5.09 -8 13 14 46.31 5.32 7 -13 -14 46.73 4.86 7 -13 -14 43.43 4.40 -7 -13 14 46.74 4.75 -7 13 14 44.74 5.11 7 13 -14 33.43 4.42 7 13 -14 49.95 5.00 -7 13 14 42.38 4.77 -7 13 14 41.51 4.43 7 13 -14 31.95 4.30 6 -13 -14 44.10 4.67 -6 -13 14 42.96 4.36 6 -13 -14 46.16 4.92 -6 13 14 37.22 4.57 6 13 -14 47.85 4.77 6 13 -14 42.51 4.92 6 13 -14 48.68 4.72 -6 13 14 34.99 4.08 -6 13 14 39.62 4.62 -5 -13 14 2.32 1.67 5 -13 -14 2.95 2.00 5 -13 -14 3.31 1.84 -5 13 14 2.38 1.69 -5 13 14 3.47 1.47 5 13 -14 2.69 1.77 5 13 -14 4.00 2.05 -5 13 14 3.57 2.00 5 13 -14 2.42 1.70 -4 -13 14 79.60 5.14 4 -13 -14 86.35 5.90 4 -13 -14 83.89 6.27 4 13 -14 86.84 6.11 -4 13 14 86.26 5.61 4 13 -14 94.40 5.62 -4 13 14 88.21 5.22 4 13 -14 92.68 5.45 3 -13 -14 93.94 6.67 3 -13 -14 81.22 5.83 3 13 -14 82.18 5.05 -3 13 14 96.52 5.26 -3 13 14 82.27 5.32 3 13 -14 92.53 6.33 3 13 -14 90.97 5.38 -2 -13 14 9.25 2.12 2 -13 -14 6.37 2.51 2 -13 -14 7.91 2.68 -2 13 14 7.82 1.92 2 13 -14 7.43 2.03 -2 13 14 8.93 2.33 2 13 -14 5.57 1.90 2 13 -14 3.74 2.15 1 -13 -14 149.76 8.10 1 -13 -14 144.84 8.51 -1 -13 14 142.12 6.76 -1 13 14 142.17 7.07 1 13 -14 134.13 7.96 -1 13 14 140.05 6.51 1 13 -14 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-15 13.45 3.13 5 -4 15 9.12 2.59 5 4 15 17.38 3.18 -5 4 -15 14.23 3.06 6 -4 15 2.55 1.68 -6 -4 -15 2.35 2.05 6 4 15 3.57 2.17 -6 4 -15 -0.23 1.65 7 -4 15 2.51 2.00 -7 -4 -15 2.48 2.10 -7 4 -15 0.98 1.88 7 4 15 3.59 2.19 8 -4 15 0.38 1.83 -8 -4 -15 0.49 2.01 8 4 15 -0.65 1.63 -8 4 -15 -0.23 1.68 -10 -5 15 7.06 2.83 -10 -5 15 4.92 2.52 10 -5 -15 5.17 2.09 -10 5 15 7.57 2.92 10 5 -15 1.52 1.64 -10 5 15 6.67 2.63 -9 -5 15 44.01 5.19 9 -5 -15 43.62 4.46 -9 -5 15 34.45 4.52 -9 5 15 42.52 5.18 -9 5 15 31.90 4.69 9 5 -15 38.29 4.21 8 -5 -15 11.87 2.44 -8 -5 15 8.66 2.67 8 -5 -15 8.75 2.45 -8 -5 15 8.92 2.79 8 -5 -15 10.12 2.35 8 5 -15 10.66 2.36 -8 5 15 12.04 2.91 8 5 -15 12.29 2.40 -8 5 15 9.80 2.76 -7 -5 15 12.89 2.96 -7 -5 15 14.00 2.93 7 -5 -15 17.80 2.82 7 -5 -15 11.11 2.19 7 5 -15 13.11 2.48 7 5 -15 9.94 2.11 -7 5 15 15.22 3.18 -7 5 15 15.12 3.19 -6 -5 15 23.99 3.79 -6 -5 15 24.76 3.58 6 -5 -15 22.89 2.73 6 -5 -15 30.95 3.71 -6 5 15 16.72 3.24 6 5 -15 22.94 3.14 6 5 -15 24.03 2.81 -6 5 15 19.99 3.54 5 -5 -15 1.97 1.62 -5 -5 15 3.39 1.78 5 -5 -15 2.66 1.27 5 5 -15 5.16 1.81 5 5 -15 1.43 1.29 -5 5 15 2.27 1.69 -5 5 15 0.23 1.59 4 -5 -15 60.54 3.41 4 -5 -15 57.51 4.57 -4 -5 15 57.73 4.55 -4 5 15 64.41 4.78 4 5 -15 53.96 4.31 4 5 -15 61.86 3.44 -3 -5 15 11.12 2.51 3 -5 -15 11.02 2.52 -3 5 15 11.80 2.59 3 5 -15 17.14 1.82 -3 5 15 14.51 1.64 3 5 -15 14.29 2.64 -2 -5 15 35.21 4.01 2 -5 -15 39.87 4.38 -2 5 15 37.05 2.11 -2 5 15 35.24 4.01 2 5 -15 29.04 3.72 2 5 -15 38.87 2.17 1 -5 -15 30.07 3.91 -1 -5 15 35.59 3.98 -1 5 15 21.33 3.24 1 5 -15 22.27 3.35 0 -5 -15 2.73 1.88 0 -5 15 4.04 1.75 0 5 -15 3.93 1.89 1 -5 15 30.16 3.75 -1 -5 -15 40.37 4.65 1 5 15 36.91 3.98 -1 5 -15 38.04 4.36 2 -5 15 24.91 3.41 -2 -5 -15 20.25 3.47 -2 5 -15 30.50 3.95 2 5 15 24.26 3.42 -3 -5 -15 9.37 2.67 3 -5 15 11.11 2.60 3 5 15 10.35 2.45 -3 5 -15 11.70 2.72 -4 -5 -15 25.92 3.99 4 -5 15 25.73 3.73 -4 5 -15 28.15 3.98 4 5 15 25.20 3.62 5 -5 15 42.33 4.85 -5 -5 -15 47.43 5.34 5 5 15 51.98 5.17 -5 5 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7.99 5 -6 -15 139.63 7.59 -5 6 15 134.62 7.53 5 6 -15 156.79 6.51 5 6 -15 157.01 7.64 -5 6 15 135.90 7.72 4 -6 -15 -0.04 0.92 -4 -6 15 0.54 1.37 4 -6 -15 -0.84 1.23 -4 6 15 -0.80 0.76 4 6 -15 -1.04 0.79 4 6 -15 2.05 1.50 -4 6 15 -0.78 1.42 3 -6 -15 48.98 4.97 -3 -6 15 56.26 4.42 -3 6 15 51.66 2.98 -3 6 15 58.30 4.53 3 6 -15 52.77 4.31 3 6 -15 55.34 3.08 -2 -6 15 36.10 3.99 2 -6 -15 40.92 4.52 2 6 -15 41.16 4.35 -2 6 15 35.13 4.02 2 6 -15 35.53 2.27 -2 6 15 38.32 2.30 1 -6 -15 64.09 5.14 1 6 -15 65.48 4.98 -1 6 15 75.44 5.01 0 -6 -15 137.20 7.81 0 -6 15 145.23 7.11 0 6 -15 137.45 7.53 -1 -6 -15 30.93 4.14 1 -6 15 36.79 3.98 1 6 15 29.10 3.56 -1 6 -15 28.88 3.89 -2 -6 -15 93.21 6.42 2 -6 15 100.76 5.92 -2 6 -15 94.44 6.21 2 6 15 94.69 5.79 3 -6 15 171.34 8.27 -3 -6 -15 159.86 8.92 3 6 15 171.44 8.19 -3 6 -15 171.30 8.79 4 -6 15 25.64 3.74 -4 -6 -15 21.63 3.81 -4 6 -15 31.62 4.17 4 6 15 26.93 3.70 -5 -6 -15 111.93 7.22 5 -6 15 96.17 6.28 5 6 15 92.14 6.08 -5 6 -15 93.49 6.43 6 -6 15 49.75 5.24 -6 -6 -15 45.97 5.47 6 6 15 48.33 5.07 -6 6 -15 41.26 4.87 -7 -6 -15 21.20 3.60 -7 -6 -15 19.95 3.89 7 -6 15 17.21 3.40 7 6 15 18.35 3.53 -7 6 -15 19.47 3.51 -8 -6 -15 59.86 5.95 8 -6 15 67.58 6.44 -8 -6 -15 54.86 6.09 8 6 15 57.84 5.90 -8 6 -15 52.28 5.74 -10 -7 15 29.68 4.55 10 -7 -15 30.22 4.08 -10 -7 15 43.51 5.21 10 7 -15 31.27 4.01 -10 7 15 27.84 4.61 -10 7 15 28.16 4.35 9 -7 -15 100.94 6.19 -9 -7 15 104.23 6.73 -9 -7 15 109.71 7.15 -9 7 15 110.34 7.13 9 7 -15 87.21 6.02 -9 7 15 94.33 7.02 8 -7 -15 -0.32 1.24 -8 -7 15 -0.15 1.56 -8 -7 15 0.62 1.72 -8 7 15 -1.11 1.62 8 7 -15 2.35 1.49 -8 7 15 0.77 1.83 8 7 -15 1.19 1.59 -7 -7 15 104.97 6.44 7 -7 -15 88.49 5.28 -7 -7 15 83.10 6.08 7 -7 -15 97.91 5.53 7 -7 -15 91.77 5.75 7 7 -15 81.79 5.09 -7 7 15 94.19 6.30 -7 7 15 108.45 6.83 7 7 -15 89.14 5.61 -6 -7 15 30.01 4.13 6 -7 -15 26.10 3.17 -6 -7 15 34.17 4.10 6 -7 -15 31.61 3.60 6 -7 -15 27.87 3.65 -6 7 15 31.90 4.13 -6 7 15 21.27 3.68 6 7 -15 25.43 3.39 6 7 -15 31.68 3.37 5 -7 -15 0.75 1.73 -5 -7 15 2.26 1.81 5 -7 -15 5.60 1.84 5 -7 -15 2.88 1.40 -5 7 15 0.75 1.61 5 7 -15 2.81 1.62 -5 7 15 3.78 2.09 -5 7 15 1.55 1.11 5 7 -15 0.75 1.18 4 -7 -15 149.51 7.91 -4 -7 15 168.31 7.90 -4 7 15 151.19 7.74 4 7 -15 143.44 7.64 4 7 -15 146.37 6.21 -4 7 15 145.94 6.13 -3 -7 15 8.66 2.28 3 -7 -15 10.96 2.64 -3 7 15 7.92 1.41 3 7 -15 6.77 1.46 -3 7 15 8.12 2.42 3 7 -15 7.28 2.14 -2 -7 15 43.69 4.39 2 -7 -15 45.48 4.92 -2 7 15 47.00 2.74 2 7 -15 48.70 4.87 2 7 -15 46.01 2.79 2 7 -15 51.07 2.80 -2 7 15 42.58 4.45 1 -7 -15 93.48 6.33 -1 -7 15 100.20 5.79 1 7 -15 105.90 5.38 1 7 -15 90.44 5.96 -1 7 15 93.42 5.76 0 -7 -15 2.65 1.84 0 -7 15 -0.74 1.22 0 7 -15 -0.48 1.42 1 -7 15 197.72 8.70 -1 -7 -15 212.09 10.00 1 7 15 172.22 8.29 -1 7 -15 184.08 9.25 -2 -7 -15 26.89 4.06 2 -7 15 29.29 3.68 -2 7 -15 30.40 4.05 2 7 15 22.17 3.25 -3 -7 -15 9.48 2.77 3 -7 15 10.24 2.50 -3 7 -15 10.87 2.67 3 7 15 8.09 2.25 4 -7 15 75.27 5.32 -4 -7 -15 60.44 6.20 4 7 15 77.52 5.34 -4 7 -15 75.15 5.66 -5 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9 15 12.31 2.50 -2 -9 -15 22.64 3.67 -2 -9 -15 18.48 3.57 2 -9 15 17.39 2.95 -2 9 -15 20.43 3.49 2 9 15 21.02 3.25 -3 -9 -15 0.71 1.92 -3 -9 -15 -0.09 1.63 3 -9 15 1.30 1.62 -3 9 -15 2.90 1.95 3 9 15 0.95 1.44 4 -9 15 41.98 4.51 -4 -9 -15 32.32 4.75 -4 -9 -15 47.50 5.20 -4 9 -15 46.27 5.14 4 9 15 41.57 4.54 -5 -9 -15 10.32 3.10 5 -9 15 21.19 3.47 -5 -9 -15 13.70 3.17 -5 9 -15 14.00 3.15 5 9 15 8.47 2.47 -6 -9 -15 7.34 2.88 -6 -9 -15 6.81 2.63 6 -9 15 2.31 1.94 -6 9 -15 7.98 2.74 6 9 15 4.73 2.15 -7 -9 -15 5.95 2.88 -7 -9 -15 3.20 2.29 7 -9 15 10.81 3.00 7 9 15 6.63 2.38 -7 9 -15 9.70 2.76 -9 -10 15 -1.28 2.03 -9 -10 15 2.40 2.18 9 -10 -15 3.51 2.08 -9 10 15 -0.55 2.00 -9 10 15 4.85 2.46 9 10 -15 5.04 2.11 -8 -10 15 154.86 8.47 8 -10 -15 157.70 8.12 -8 -10 15 157.72 8.85 -8 10 15 177.74 9.44 8 10 -15 160.60 8.19 8 10 -15 179.69 8.57 -8 10 15 154.79 8.61 7 -10 -15 11.15 2.45 -7 -10 15 10.92 2.83 -7 -10 15 15.99 3.34 7 -10 -15 10.85 2.41 7 -10 -15 11.19 2.70 7 10 -15 8.75 2.47 -7 10 15 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15 0.64 1.35 1 10 -15 1.33 1.20 0 -10 -15 204.88 10.09 0 -10 -15 188.15 9.24 0 -10 15 181.38 8.29 0 10 15 176.86 8.28 0 10 -15 174.16 9.21 1 -10 15 29.19 3.66 -1 -10 -15 36.73 4.83 -1 -10 -15 27.77 4.11 1 10 15 40.61 4.27 -1 10 -15 33.69 4.50 2 -10 15 71.82 5.07 -2 -10 -15 63.34 5.88 -2 -10 -15 56.60 6.14 2 10 15 62.58 4.66 -2 10 -15 54.04 5.59 -3 -10 -15 100.76 6.67 -3 -10 -15 98.62 7.09 3 -10 15 92.79 5.95 3 10 15 87.05 5.69 -3 10 -15 108.31 6.88 -4 -10 -15 5.03 2.53 -4 -10 -15 2.15 2.34 4 -10 15 3.18 1.86 -4 10 -15 -0.59 1.70 4 10 15 3.46 1.87 -5 -10 -15 57.94 5.98 -5 -10 -15 63.31 6.61 5 -10 15 60.13 5.69 -5 10 -15 52.24 5.76 5 10 15 66.70 5.80 -6 -10 -15 60.23 5.96 6 -10 15 42.29 5.05 -6 -10 -15 41.70 5.50 6 10 15 40.53 4.75 -6 10 -15 47.71 5.58 7 -10 15 -2.19 1.65 -7 -10 -15 -1.45 2.10 -7 -10 -15 -0.04 2.04 -7 10 -15 0.73 2.18 7 10 15 0.86 2.06 -9 -11 15 85.66 6.33 9 11 -15 85.61 5.97 -9 11 15 78.02 7.36 -8 -11 15 -1.02 1.48 8 -11 -15 2.71 2.04 -8 -11 15 0.80 1.61 -8 11 15 -0.08 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-19 68.07 6.74 -1 -10 19 11.42 2.89 1 -10 -19 19.43 3.90 1 -10 -19 18.81 4.18 -1 10 19 9.74 2.86 1 10 -19 14.19 3.60 0 -10 19 94.23 6.42 0 -10 -19 102.93 7.33 0 -10 -19 100.79 7.75 0 10 19 97.20 6.69 0 10 -19 83.85 6.85 1 -10 19 35.13 4.64 -1 -10 -19 33.23 4.90 -1 -10 -19 41.84 5.73 1 10 19 39.49 4.80 -1 10 -19 48.86 5.90 6 0 -20 29.93 4.26 -6 0 20 26.77 4.38 -5 0 20 93.58 6.97 5 0 -20 92.80 6.80 4 0 -20 10.77 3.19 -4 0 20 5.07 2.52 -3 0 20 114.85 7.50 3 0 -20 107.07 7.52 2 0 -20 38.59 5.08 -2 0 20 54.53 6.00 -1 0 20 31.35 4.52 1 0 -20 30.19 4.67 0 0 20 40.60 4.89 0 0 -20 35.42 4.89 1 0 20 25.98 4.01 -1 0 -20 22.79 4.23 2 0 20 60.10 6.12 -2 0 -20 67.08 6.94 3 0 20 92.95 6.74 -3 0 -20 65.72 7.08 6 -1 -20 15.23 3.24 -6 -1 20 20.78 4.02 -6 1 20 20.51 3.94 6 1 -20 18.65 3.55 5 -1 -20 2.16 2.23 -5 -1 20 3.12 2.28 -5 1 20 4.53 2.50 5 1 -20 4.55 2.25 4 -1 -20 51.92 5.82 -4 -1 20 63.29 6.46 4 1 -20 68.37 6.50 -4 1 20 61.66 6.28 -3 -1 20 17.52 3.61 3 -1 -20 23.28 4.02 -3 1 20 15.77 3.47 3 1 -20 18.33 3.69 -2 -1 20 41.63 5.12 2 -1 -20 29.21 4.61 -2 1 20 35.07 4.79 2 1 -20 36.14 4.86 1 -1 -20 23.62 4.17 -1 -1 20 22.36 3.82 -1 1 20 23.01 3.83 1 1 -20 17.41 3.70 0 -1 -20 -0.63 1.93 0 -1 20 1.79 1.65 0 1 -20 0.21 1.87 0 1 20 2.14 1.99 -1 -1 -20 67.54 6.98 1 -1 20 87.68 6.40 1 1 20 76.91 6.93 -1 1 -20 73.30 7.23 -2 -1 -20 36.10 5.22 2 -1 20 37.77 4.96 -2 1 -20 25.74 4.57 2 1 20 32.49 4.70 3 -1 20 6.07 2.72 -3 -1 -20 2.72 2.61 3 1 20 1.79 2.06 -3 1 -20 -0.37 1.98 6 -2 -20 -0.69 2.00 -6 -2 20 2.34 2.26 -6 2 20 0.96 2.03 6 2 -20 0.88 2.15 -5 -2 20 -0.33 1.88 5 -2 -20 -0.72 1.89 -5 2 20 4.70 2.54 5 2 -20 1.99 1.91 -4 -2 20 5.75 2.69 4 -2 -20 10.66 2.92 4 2 -20 9.23 2.93 -4 2 20 7.35 2.84 -3 -2 20 1.10 1.92 3 -2 -20 -0.98 1.79 -3 2 20 3.62 2.29 3 2 -20 2.71 2.25 2 -2 -20 1.13 2.00 -2 -2 20 2.51 2.07 2 2 -20 0.51 2.14 -2 2 20 2.15 2.14 -1 -2 20 4.65 2.28 1 -2 -20 6.84 2.58 -1 2 20 6.81 2.61 1 2 -20 0.12 1.97 0 -2 20 0.95 1.39 0 -2 -20 3.73 2.41 0 2 -20 -1.17 1.67 0 2 20 1.22 1.80 -1 -2 -20 17.54 3.87 1 -2 20 13.79 3.33 -1 2 -20 16.46 3.57 1 2 20 17.39 3.28 2 -2 20 1.01 2.14 -2 -2 -20 -2.93 1.79 2 2 20 2.30 2.07 -2 2 -20 2.19 2.31 -3 -2 -20 -2.14 1.98 3 -2 20 -0.45 1.85 3 2 20 -0.18 1.86 -3 2 -20 -0.80 1.86 6 -3 -20 31.52 4.66 -6 -3 20 27.17 4.50 -6 3 20 26.45 4.42 6 3 -20 31.69 4.40 5 -3 -20 -0.53 1.96 -5 -3 20 0.95 2.01 5 3 -20 0.45 1.98 -5 3 20 -1.12 1.76 4 -3 -20 23.85 4.06 -4 -3 20 21.89 3.97 -4 3 20 27.39 4.43 4 3 -20 25.85 4.12 3 -3 -20 36.77 5.14 -3 -3 20 47.22 5.59 3 3 -20 39.54 5.23 -3 3 20 40.24 5.10 2 -3 -20 18.55 4.05 2 3 -20 14.78 3.39 -2 3 20 18.56 3.68 -1 -3 20 27.95 4.22 1 -3 -20 32.70 4.75 1 3 -20 24.46 4.21 -1 3 20 29.26 4.29 0 -3 -20 7.41 2.80 0 -3 20 11.08 3.11 0 3 -20 11.68 3.19 0 3 20 7.50 2.49 -1 -3 -20 29.68 4.82 1 -3 20 24.13 3.97 1 3 20 35.32 4.72 -1 3 -20 31.45 4.84 2 -3 20 36.63 4.98 -2 -3 -20 35.31 5.15 2 3 20 31.70 4.63 -2 3 -20 38.35 5.24 -3 -3 -20 1.90 2.35 3 -3 20 4.90 2.53 3 3 20 4.43 2.45 -3 3 -20 1.21 2.28 -6 -4 20 45.28 5.52 6 -4 -20 39.82 5.10 -6 4 20 36.71 5.16 6 4 -20 35.60 4.70 -5 -4 20 59.88 6.39 5 -4 -20 47.43 5.69 -5 4 20 59.82 6.37 5 4 -20 61.11 6.24 4 -4 -20 8.63 2.87 -4 -4 20 5.39 2.61 4 4 -20 1.55 2.04 -4 4 20 5.94 2.71 -3 -4 20 54.96 6.00 3 -4 -20 52.63 5.93 3 4 -20 61.81 6.29 -3 4 20 55.98 5.96 2 -4 -20 91.00 7.01 2 4 -20 91.67 6.81 -2 4 20 85.37 6.49 1 -4 -20 0.50 2.09 -1 -4 20 1.41 2.05 -1 4 20 0.90 1.81 1 4 -20 -0.11 1.85 0 -4 -20 87.22 6.97 0 -4 20 88.98 6.45 0 4 20 82.47 6.15 0 4 -20 76.98 6.53 -1 -4 -20 36.01 5.30 1 -4 20 29.25 4.51 1 4 20 41.88 5.12 -1 4 -20 45.40 5.68 2 -4 20 53.43 5.92 -2 -4 -20 58.41 6.67 -2 4 -20 61.48 6.59 2 4 20 47.78 5.55 5 -5 -20 9.30 3.17 -5 -5 20 11.20 3.23 -5 5 20 7.75 2.96 5 5 -20 8.84 2.95 -4 -5 20 49.02 5.70 4 -5 -20 45.78 5.45 -4 5 20 37.62 5.03 4 5 -20 50.38 5.62 -3 -5 20 1.50 2.06 3 -5 -20 1.52 2.22 3 5 -20 1.14 2.10 -3 5 20 2.33 2.11 2 -5 -20 14.88 3.70 -2 -5 20 22.08 3.98 -2 5 20 21.78 4.02 2 5 -20 22.08 3.95 -1 -5 20 87.03 6.29 1 -5 -20 86.62 6.92 -1 5 20 74.05 6.83 1 5 -20 77.89 6.47 0 -5 20 18.36 3.58 0 -5 -20 19.58 4.25 0 5 -20 20.09 4.02 0 5 20 20.21 3.84 -1 -5 -20 50.39 6.16 1 -5 20 47.62 5.49 -1 5 -20 53.07 6.19 1 5 20 47.01 5.40 -2 -5 -20 48.40 6.12 2 -5 20 42.84 5.29 2 5 20 41.78 5.14 -2 5 -20 36.39 5.28 -5 -6 20 16.53 3.60 5 -6 -20 12.20 3.39 -5 6 20 9.20 3.01 5 6 -20 15.06 3.39 4 -6 -20 0.27 1.89 -4 -6 20 -1.64 1.55 -4 6 20 -0.54 1.94 4 6 -20 1.74 2.02 3 -6 -20 9.02 3.08 -3 -6 20 7.79 2.79 3 6 -20 10.42 2.91 -3 6 20 8.47 3.10 2 -6 -20 1.32 2.14 -2 -6 20 0.18 1.84 2 6 -20 3.84 2.18 -2 6 20 1.78 2.04 1 -6 -20 -1.25 1.98 -1 -6 20 0.63 1.90 1 6 -20 2.04 2.14 -1 6 20 -1.94 1.58 0 -6 20 13.02 3.24 0 -6 -20 9.92 3.36 0 6 -20 8.76 3.02 0 6 20 5.34 2.66 1 -6 20 -0.01 1.77 -1 -6 -20 -2.60 1.97 1 6 20 1.20 2.06 -1 6 -20 1.26 2.08 2 -6 20 -1.59 1.71 -2 -6 -20 2.49 2.83 2 6 20 1.76 2.06 -2 6 -20 2.11 2.33 4 -7 -20 7.32 2.88 -4 -7 20 7.86 2.81 4 7 -20 10.99 3.08 -4 7 20 10.81 3.11 -3 -7 20 1.67 2.00 3 -7 -20 0.69 2.00 -3 7 20 -0.51 1.79 3 7 -20 0.59 2.01 2 -7 -20 10.32 3.29 -2 -7 20 10.74 2.97 -2 7 20 15.21 3.39 2 7 -20 5.64 2.64 -1 -7 20 42.27 5.12 1 -7 -20 43.24 5.76 1 7 -20 37.71 5.11 -1 7 20 40.08 5.04 0 -7 20 3.44 2.46 0 -7 -20 6.87 3.02 0 7 -20 8.48 3.09 0 7 20 10.50 2.83 1 -7 20 5.33 2.90 -1 -7 -20 1.78 2.60 1 7 20 4.78 2.47 -1 7 -20 5.48 2.67 3 -8 -20 74.26 7.46 3 -8 -20 72.82 6.73 -3 8 20 58.66 6.21 3 8 -20 75.14 6.24 2 -8 -20 56.08 6.09 -2 -8 20 59.88 5.98 2 -8 -20 71.33 7.28 -2 8 20 69.89 6.60 2 8 -20 64.35 6.72 1 -8 -20 3.40 2.69 -1 -8 20 1.44 1.93 -1 8 20 -0.26 1.83 1 8 -20 -0.25 1.83 0 -8 20 101.10 7.02 0 -8 -20 107.77 8.18 0 8 -20 118.12 8.09 0 8 20 113.58 7.29 -4 0 21 0.72 2.14 4 0 -21 0.05 2.03 3 0 -21 1.26 2.08 -3 0 21 3.15 2.28 2 0 -21 -0.82 1.92 1 0 -21 -1.42 1.93 -1 0 21 -0.82 1.75 0 0 -21 -0.95 2.31 0 0 21 -0.75 1.75 -1 0 -21 -0.89 1.93 1 0 21 -2.31 1.80 4 -1 -21 26.45 4.41 -4 -1 21 30.06 4.67 -4 1 21 35.69 5.08 4 1 -21 25.83 4.31 3 -1 -21 -0.35 2.19 -3 -1 21 -1.80 1.87 -3 1 21 -0.88 1.87 3 1 -21 -0.07 1.80 2 -1 -21 55.82 6.40 2 1 -21 70.99 6.99 1 -1 -21 0.14 2.19 -1 -1 21 -0.59 1.90 -1 1 21 4.08 2.22 1 1 -21 1.17 2.07 0 -1 21 14.59 3.38 0 -1 -21 11.00 3.30 0 1 21 6.56 2.70 0 1 -21 10.48 3.25 -1 -1 -21 44.65 5.85 1 -1 21 40.68 5.29 1 1 21 39.45 5.22 -1 1 -21 32.08 5.12 4 -2 -21 7.56 2.89 -4 -2 21 9.68 3.11 -4 2 21 6.26 2.72 4 2 -21 8.05 2.73 -3 -2 21 110.17 7.54 3 -2 -21 108.39 7.63 3 2 -21 102.60 7.33 -3 2 21 103.90 7.41 2 -2 -21 1.17 2.11 2 2 -21 -0.13 1.87 -1 -2 21 47.61 5.51 1 -2 -21 45.90 5.86 1 2 -21 46.04 5.64 -1 2 21 47.43 5.52 0 -2 -21 66.18 6.99 0 -2 21 58.02 6.14 0 2 -21 52.79 6.20 0 2 21 59.54 6.15 -3 -3 21 2.26 2.06 3 -3 -21 -4.17 1.54 3 3 -21 0.60 1.94 -3 3 21 2.91 2.36 -2 -3 21 56.71 6.10 2 -3 -21 58.21 6.56 -2 3 21 66.61 6.64 2 3 -21 50.02 6.03 1 -3 -21 18.31 3.98 -1 -3 21 24.61 4.07 -1 3 21 11.69 3.23 1 3 -21 22.98 4.28 0 -3 21 4.06 2.33 0 -3 -21 -0.30 1.94 0 3 21 1.00 2.18 0 3 -21 -0.43 2.05 -3 -4 21 6.68 2.74 3 -4 -21 6.37 2.79 -3 4 21 16.35 3.59 3 4 -21 8.98 2.91 -2 -4 21 2.33 2.11 2 -4 -21 -0.25 1.91 2 4 -21 0.62 2.09 -2 4 21 4.22 2.35 1 -4 -21 1.33 2.52 -1 -4 21 1.38 1.88 1 4 -21 -0.23 1.99 -1 4 21 0.50 2.01 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 27312 #===END CIF_complex5b _audit_creation_method 'SHELXL-2014/7' _shelx_SHELXL_version_number '2014/7' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C50 H48 Cl2 Ir O3 P2 S2' _chemical_formula_weight 1086.04 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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ir' 'Ir' -1.4442 7.9887 '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 13.0190(6) _cell_length_b 23.4383(11) _cell_length_c 14.9496(7) _cell_angle_alpha 90 _cell_angle_beta 95.295(2) _cell_angle_gamma 90 _cell_volume 4542.3(4) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 9824 _cell_measurement_theta_min 4.353 _cell_measurement_theta_max 52.870 _exptl_crystal_description plate _exptl_crystal_colour orange _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.588 _exptl_crystal_F_000 2180 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.210 _exptl_crystal_size_mid 0.200 _exptl_crystal_size_min 0.110 _exptl_absorpt_coefficient_mu 3.262 _shelx_estimated_absorpt_T_min 0.547 _shelx_estimated_absorpt_T_max 0.715 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.6182 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_process_details 'Sadabs 2008 (Bruker AXS, 2008)' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed tube' _diffrn_measurement_device_type 'Bruker APEX-CCD' _diffrn_measurement_method omega-scans _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 67959 _diffrn_reflns_av_unetI/netI 0.0223 _diffrn_reflns_av_R_equivalents 0.0352 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.621 _diffrn_reflns_theta_max 24.999 _diffrn_reflns_theta_full 24.999 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 8005 _reflns_number_gt 7189 _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 'APEX2 ver. 2014.9 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.68A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.68A (Bruker AXS)' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_molecular_graphics 'ShelXLe (Huebschle et all, 2011)' _computing_publication_material 'SHELXL-2014/6 (Sheldrick, 2014)' _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^)+(0.0255P)^2^+3.2317P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 8005 _refine_ls_number_parameters 550 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0249 _refine_ls_R_factor_gt 0.0201 _refine_ls_wR_factor_ref 0.0493 _refine_ls_wR_factor_gt 0.0468 _refine_ls_goodness_of_fit_ref 1.013 _refine_ls_restrained_S_all 1.013 _refine_ls_shift/su_max 0.005 _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 Ir1 Ir 0.65329(2) 0.44101(2) 0.83788(2) 0.01592(4) Uani 1 1 d . . . . . Cl1 Cl 1.01605(6) 0.18737(3) 0.81444(6) 0.0465(2) Uani 1 1 d . . . . . Cl2 Cl 0.33945(6) 0.19500(3) 1.02178(5) 0.03907(19) Uani 1 1 d . . . . . S1 S 0.50293(5) 0.45324(3) 0.92107(4) 0.01889(14) Uani 1 1 d . . . . . S2 S 0.53345(5) 0.36990(3) 0.65029(4) 0.02070(15) Uani 1 1 d . . . . . P1 P 0.42933(5) 0.43696(3) 0.80029(4) 0.01656(14) Uani 1 1 d . . . . . P2 P 0.69480(5) 0.36750(3) 0.93600(4) 0.01819(15) Uani 1 1 d . . . . . O1 O 0.60414(14) 0.32248(8) 0.65227(12) 0.0293(5) Uani 1 1 d . . . . . O2 O 0.54948(14) 0.41641(8) 0.59025(12) 0.0257(4) Uani 1 1 d . . . . . O3 O 0.73557(14) 0.38745(8) 1.02821(11) 0.0234(4) Uani 1 1 d . . . . . C1 C 0.53082(19) 0.39376(11) 0.76159(16) 0.0161(5) Uani 1 1 d . . . . . C2 C 0.39039(19) 0.50209(11) 0.74259(17) 0.0179(5) Uani 1 1 d . . . . . C3 C 0.3448(2) 0.54215(11) 0.79569(18) 0.0216(6) Uani 1 1 d . . . . . H3 H 0.3452 0.5360 0.8585 0.026 Uiso 1 1 calc R U . . . C4 C 0.2992(2) 0.59061(12) 0.75734(18) 0.0248(6) Uani 1 1 d . . . . . H4 H 0.2680 0.6177 0.7935 0.030 Uiso 1 1 calc R U . . . C5 C 0.2995(2) 0.59942(12) 0.66601(19) 0.0263(6) Uani 1 1 d . . . . . H5 H 0.2670 0.6323 0.6392 0.032 Uiso 1 1 calc R U . . . C6 C 0.3466(2) 0.56066(11) 0.61323(18) 0.0238(6) Uani 1 1 d . . . . . H6 H 0.3484 0.5678 0.5508 0.029 Uiso 1 1 calc R U . . . C7 C 0.3911(2) 0.51151(11) 0.65100(17) 0.0205(6) Uani 1 1 d . . . . . H7 H 0.4219 0.4844 0.6144 0.025 Uiso 1 1 calc R U . . . C8 C 0.3089(2) 0.39948(11) 0.80895(17) 0.0205(6) Uani 1 1 d . . . . . C9 C 0.2197(2) 0.41318(12) 0.75515(18) 0.0258(6) Uani 1 1 d . . . . . H9 H 0.2205 0.4432 0.7126 0.031 Uiso 1 1 calc R U . . . C10 C 0.1297(2) 0.38310(13) 0.7635(2) 0.0346(7) Uani 1 1 d . . . . . H10 H 0.0688 0.3924 0.7265 0.042 Uiso 1 1 calc R U . . . C11 C 0.1283(2) 0.33978(14) 0.8253(2) 0.0389(8) Uani 1 1 d . . . . . H11 H 0.0662 0.3195 0.8313 0.047 Uiso 1 1 calc R U . . . C12 C 0.2165(2) 0.32563(13) 0.8787(2) 0.0359(7) Uani 1 1 d . . . . . H12 H 0.2153 0.2954 0.9209 0.043 Uiso 1 1 calc R U . . . C13 C 0.3068(2) 0.35544(12) 0.87078(19) 0.0266(6) Uani 1 1 d . . . . . H13 H 0.3675 0.3458 0.9078 0.032 Uiso 1 1 calc R U . . . C14 C 0.4083(2) 0.34265(11) 0.61992(17) 0.0212(6) Uani 1 1 d . . . . . C15 C 0.3727(2) 0.29650(12) 0.66636(18) 0.0269(7) Uani 1 1 d . . . . . H15 H 0.4162 0.2788 0.7128 0.032 Uiso 1 1 calc R U . . . C16 C 0.2738(2) 0.27654(13) 0.6446(2) 0.0339(7) Uani 1 1 d . . . . . H16 H 0.2484 0.2454 0.6767 0.041 Uiso 1 1 calc R U . . . C17 C 0.2120(2) 0.30219(13) 0.5760(2) 0.0340(7) Uani 1 1 d . . . . . H17 H 0.1437 0.2888 0.5614 0.041 Uiso 1 1 calc R U . . . C18 C 0.2485(2) 0.34694(13) 0.5289(2) 0.0322(7) Uani 1 1 d . . . . . H18 H 0.2060 0.3635 0.4808 0.039 Uiso 1 1 calc R U . . . C19 C 0.3466(2) 0.36799(12) 0.55084(18) 0.0263(6) Uani 1 1 d . . . . . H19 H 0.3714 0.3994 0.5190 0.032 Uiso 1 1 calc R U . . . C20 C 0.7591(2) 0.50747(11) 0.89259(18) 0.0218(6) Uani 1 1 d . . . . . C21 C 0.6887(2) 0.53556(12) 0.82669(19) 0.0233(6) Uani 1 1 d . . . . . C22 C 0.6989(2) 0.51150(12) 0.74165(18) 0.0228(6) Uani 1 1 d . . . . . C23 C 0.7746(2) 0.46625(12) 0.75350(17) 0.0218(6) Uani 1 1 d . . . . . C24 C 0.8165(2) 0.46711(12) 0.84555(18) 0.0222(6) Uani 1 1 d . . . . . C25 C 0.7810(2) 0.52428(13) 0.98895(18) 0.0303(7) Uani 1 1 d . . . . . H25A H 0.8362 0.5528 0.9944 0.045 Uiso 1 1 calc R U . . . H25B H 0.8025 0.4906 1.0247 0.045 Uiso 1 1 calc R U . . . H25C H 0.7185 0.5404 1.0108 0.045 Uiso 1 1 calc R U . . . C26 C 0.6202(2) 0.58414(12) 0.8482(2) 0.0301(7) Uani 1 1 d . . . . . H26A H 0.5655 0.5890 0.7991 0.045 Uiso 1 1 calc R U . . . H26B H 0.6610 0.6192 0.8553 0.045 Uiso 1 1 calc R U . . . H26C H 0.5892 0.5759 0.9041 0.045 Uiso 1 1 calc R U . . . C27 C 0.6527(2) 0.53349(13) 0.65321(19) 0.0322(7) Uani 1 1 d . . . . . H27A H 0.7040 0.5563 0.6250 0.048 Uiso 1 1 calc R U . . . H27B H 0.5927 0.5573 0.6625 0.048 Uiso 1 1 calc R U . . . H27C H 0.6309 0.5013 0.6141 0.048 Uiso 1 1 calc R U . . . C28 C 0.8174(2) 0.43431(13) 0.67869(19) 0.0319(7) Uani 1 1 d . . . . . H28A H 0.7619 0.4264 0.6315 0.048 Uiso 1 1 calc R U . . . H28B H 0.8475 0.3983 0.7017 0.048 Uiso 1 1 calc R U . . . H28C H 0.8708 0.4574 0.6539 0.048 Uiso 1 1 calc R U . . . C29 C 0.9100(2) 0.43667(12) 0.8845(2) 0.0277(7) Uani 1 1 d . . . . . H29A H 0.9195 0.4018 0.8500 0.042 Uiso 1 1 calc R U . . . H29B H 0.9020 0.4267 0.9471 0.042 Uiso 1 1 calc R U . . . H29C H 0.9704 0.4614 0.8820 0.042 Uiso 1 1 calc R U . . . C30 C 0.7876(2) 0.31690(11) 0.89635(17) 0.0214(6) Uani 1 1 d . . . . . C31 C 0.7886(2) 0.30126(12) 0.80707(18) 0.0273(6) Uani 1 1 d . . . . . H31 H 0.7414 0.3185 0.7628 0.033 Uiso 1 1 calc R U . . . C32 C 0.8576(2) 0.26078(13) 0.7818(2) 0.0335(7) Uani 1 1 d . . . . . H32 H 0.8572 0.2496 0.7207 0.040 Uiso 1 1 calc R U . . . C33 C 0.9269(2) 0.23688(12) 0.8460(2) 0.0293(7) Uani 1 1 d . . . . . C34 C 0.9291(2) 0.25250(12) 0.9351(2) 0.0279(7) Uani 1 1 d . . . . . H34 H 0.9781 0.2362 0.9787 0.033 Uiso 1 1 calc R U . . . C35 C 0.8590(2) 0.29208(12) 0.95960(19) 0.0246(6) Uani 1 1 d . . . . . H35 H 0.8594 0.3027 1.0210 0.029 Uiso 1 1 calc R U . . . C36 C 0.5905(2) 0.31669(11) 0.95290(16) 0.0192(6) Uani 1 1 d . . . . . C37 C 0.5586(2) 0.27194(11) 0.89493(17) 0.0225(6) Uani 1 1 d . . . . . H37 H 0.5901 0.2673 0.8405 0.027 Uiso 1 1 calc R U . . . C38 C 0.4820(2) 0.23415(12) 0.91509(18) 0.0253(6) Uani 1 1 d . . . . . H38 H 0.4610 0.2039 0.8752 0.030 Uiso 1 1 calc R U . . . C39 C 0.4369(2) 0.24132(11) 0.99416(19) 0.0251(6) Uani 1 1 d . . . . . C40 C 0.4669(2) 0.28467(12) 1.05316(18) 0.0270(6) Uani 1 1 d . . . . . H40 H 0.4350 0.2889 1.1075 0.032 Uiso 1 1 calc R U . . . C41 C 0.5435(2) 0.32191(11) 1.03273(17) 0.0222(6) Uani 1 1 d . . . . . H41 H 0.5646 0.3516 1.0737 0.027 Uiso 1 1 calc R U . . . C1_1 C 0.8719(3) 0.67066(16) 0.8134(3) 0.0557(10) Uani 1 1 d . . . . . H1_1 H 0.8284 0.7008 0.8294 0.067 Uiso 1 1 calc R U . . . C4_1 C 1.0016(3) 0.58515(15) 0.7655(2) 0.0447(8) Uani 1 1 d . . . . . H4_1 H 1.0461 0.5558 0.7484 0.054 Uiso 1 1 calc R U . . . C5_1 C 1.0220(3) 0.61321(19) 0.8448(3) 0.0634(11) Uani 1 1 d . . . . . H5_1 H 1.0818 0.6039 0.8833 0.076 Uiso 1 1 calc R U . . . C6_1 C 0.9556(3) 0.6554(2) 0.8692(3) 0.0858(17) Uani 1 1 d . . . . . H6_1 H 0.9686 0.6738 0.9257 0.103 Uiso 1 1 calc R U . . . C2_1 C 0.8511(3) 0.64257(16) 0.7347(2) 0.0453(9) Uani 1 1 d . . . . . H2_1 H 0.7916 0.6523 0.6960 0.054 Uiso 1 1 calc R U . . . C3_1 C 0.9155(3) 0.60005(16) 0.7104(2) 0.0452(9) Uani 1 1 d . . . . . H3_1 H 0.9003 0.5807 0.6550 0.054 Uiso 1 1 calc R U . . . C1_2 C 1.0225(3) 0.44376(14) 0.5164(2) 0.0414(8) Uani 1 1 d . . . . . H1A_2 H 1.0380 0.4047 0.5282 0.050 Uiso 1 1 calc R U . . . H1_2 H 0.521(2) 0.3608(12) 0.7900(18) 0.021(7) Uiso 1 1 d . . . . . C2_2 C 0.9286(3) 0.45892(15) 0.4748(2) 0.0393(8) Uani 1 1 d . . . . . H2_2 H 0.8791 0.4304 0.4570 0.047 Uiso 1 1 calc R U . . . C3_2 C 0.9058(3) 0.51510(16) 0.4588(2) 0.0425(9) Uani 1 1 d . . . . . H3_2 H 0.8402 0.5256 0.4306 0.051 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 Ir1 0.01412(6) 0.01923(6) 0.01452(6) -0.00094(4) 0.00186(4) 0.00074(4) Cl1 0.0314(4) 0.0349(5) 0.0729(6) -0.0174(4) 0.0026(4) 0.0119(3) Cl2 0.0464(5) 0.0302(4) 0.0416(5) 0.0032(3) 0.0097(4) -0.0149(3) S1 0.0187(4) 0.0234(4) 0.0146(3) -0.0024(3) 0.0018(3) -0.0001(3) S2 0.0211(4) 0.0260(4) 0.0146(3) -0.0044(3) -0.0001(3) 0.0045(3) P1 0.0173(4) 0.0178(4) 0.0147(3) -0.0007(3) 0.0022(3) 0.0002(3) P2 0.0179(4) 0.0215(4) 0.0150(3) -0.0006(3) 0.0004(3) 0.0022(3) O1 0.0272(11) 0.0345(12) 0.0252(11) -0.0091(9) -0.0024(8) 0.0139(9) O2 0.0265(11) 0.0351(12) 0.0159(10) -0.0002(8) 0.0046(8) -0.0007(9) O3 0.0256(11) 0.0280(11) 0.0161(9) -0.0015(8) -0.0016(8) 0.0002(8) C1 0.0153(14) 0.0173(14) 0.0153(13) -0.0008(11) -0.0005(10) 0.0003(11) C2 0.0137(13) 0.0195(14) 0.0203(14) 0.0010(10) 0.0011(10) -0.0026(10) C3 0.0219(15) 0.0245(15) 0.0184(14) -0.0017(11) 0.0028(11) -0.0004(11) C4 0.0215(15) 0.0226(16) 0.0300(16) -0.0030(12) 0.0012(12) 0.0001(12) C5 0.0215(15) 0.0231(16) 0.0331(17) 0.0049(12) -0.0046(12) -0.0014(12) C6 0.0235(16) 0.0281(16) 0.0195(15) 0.0049(11) 0.0003(11) -0.0067(12) C7 0.0190(14) 0.0237(15) 0.0190(14) 0.0000(11) 0.0031(11) -0.0003(11) C8 0.0216(15) 0.0213(15) 0.0190(14) -0.0039(11) 0.0045(11) -0.0001(11) C9 0.0219(16) 0.0285(16) 0.0270(16) 0.0006(12) 0.0018(12) -0.0017(12) C10 0.0184(16) 0.0385(19) 0.0460(19) 0.0017(15) -0.0023(13) -0.0017(13) C11 0.0221(17) 0.036(2) 0.060(2) 0.0004(16) 0.0115(15) -0.0069(14) C12 0.0333(18) 0.0257(17) 0.050(2) 0.0093(14) 0.0107(15) -0.0031(14) C13 0.0253(16) 0.0221(16) 0.0329(17) 0.0023(12) 0.0047(12) 0.0015(12) C14 0.0237(15) 0.0218(15) 0.0173(14) -0.0086(11) -0.0020(11) 0.0053(11) C15 0.0312(17) 0.0255(16) 0.0227(15) -0.0049(12) -0.0049(12) 0.0021(13) C16 0.0416(19) 0.0260(17) 0.0338(18) -0.0075(13) 0.0018(14) -0.0057(14) C17 0.0270(17) 0.0314(18) 0.0420(19) -0.0150(14) -0.0065(14) -0.0003(13) C18 0.0300(17) 0.0337(18) 0.0303(17) -0.0117(13) -0.0118(13) 0.0098(14) C19 0.0309(17) 0.0250(16) 0.0219(15) -0.0057(11) -0.0033(12) 0.0034(12) C20 0.0187(14) 0.0206(15) 0.0264(15) -0.0018(11) 0.0033(11) -0.0061(11) C21 0.0166(14) 0.0195(14) 0.0344(17) 0.0021(12) 0.0050(11) -0.0034(11) C22 0.0161(14) 0.0262(16) 0.0263(15) 0.0055(12) 0.0035(11) -0.0043(11) C23 0.0187(15) 0.0258(15) 0.0219(14) 0.0012(11) 0.0065(11) -0.0050(12) C24 0.0180(14) 0.0227(15) 0.0263(15) 0.0002(11) 0.0050(11) -0.0035(11) C25 0.0323(17) 0.0316(18) 0.0268(16) -0.0080(12) 0.0017(13) -0.0066(13) C26 0.0232(16) 0.0237(16) 0.0441(19) 0.0001(13) 0.0076(13) -0.0004(13) C27 0.0283(17) 0.0375(18) 0.0306(17) 0.0127(14) 0.0017(13) -0.0047(14) C28 0.0256(17) 0.044(2) 0.0278(17) -0.0037(13) 0.0122(13) -0.0016(14) C29 0.0163(15) 0.0304(17) 0.0360(17) 0.0025(13) 0.0001(12) -0.0003(12) C30 0.0175(14) 0.0215(15) 0.0250(15) -0.0001(11) 0.0006(11) -0.0015(11) C31 0.0232(16) 0.0332(17) 0.0248(16) -0.0056(12) -0.0012(12) 0.0045(12) C32 0.0252(17) 0.0398(19) 0.0350(18) -0.0152(14) 0.0006(13) 0.0037(14) C33 0.0219(16) 0.0196(15) 0.047(2) -0.0068(13) 0.0067(13) 0.0013(12) C34 0.0231(16) 0.0237(16) 0.0371(18) 0.0112(13) 0.0034(12) 0.0008(12) C35 0.0213(15) 0.0274(16) 0.0254(15) 0.0050(12) 0.0040(11) -0.0010(12) C36 0.0216(15) 0.0199(14) 0.0154(13) 0.0033(10) -0.0013(10) 0.0055(11) C37 0.0259(15) 0.0241(15) 0.0170(14) 0.0005(11) -0.0008(11) 0.0064(12) C38 0.0285(16) 0.0204(15) 0.0259(16) 0.0003(11) -0.0043(12) 0.0025(12) C39 0.0274(16) 0.0178(15) 0.0302(16) 0.0065(12) 0.0024(12) -0.0004(12) C40 0.0365(17) 0.0240(16) 0.0215(15) 0.0032(12) 0.0084(12) 0.0045(13) C41 0.0289(16) 0.0183(14) 0.0193(14) -0.0005(11) 0.0017(11) 0.0024(12) C1_1 0.033(2) 0.053(2) 0.080(3) -0.023(2) -0.0038(19) -0.0023(17) C4_1 0.041(2) 0.050(2) 0.044(2) 0.0000(17) 0.0061(16) 0.0009(17) C5_1 0.044(2) 0.098(3) 0.046(2) -0.007(2) -0.0120(18) 0.012(2) C6_1 0.048(3) 0.134(5) 0.072(3) -0.063(3) -0.017(2) 0.013(3) C2_1 0.033(2) 0.059(2) 0.043(2) 0.0084(17) -0.0025(15) -0.0042(17) C3_1 0.040(2) 0.062(2) 0.0326(19) -0.0071(16) 0.0022(15) -0.0119(18) C1_2 0.037(2) 0.040(2) 0.049(2) 0.0105(16) 0.0135(16) 0.0104(16) C2_2 0.0321(19) 0.051(2) 0.0341(19) -0.0036(15) -0.0001(14) -0.0053(16) C3_2 0.0267(18) 0.066(3) 0.0336(18) 0.0144(16) -0.0043(14) 0.0066(17) _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 Ir1 C1 2.176(2) . ? Ir1 C20 2.188(3) . ? Ir1 C23 2.192(3) . ? Ir1 C24 2.204(3) . ? Ir1 C21 2.273(3) . ? Ir1 P2 2.2948(7) . ? Ir1 C22 2.304(3) . ? Ir1 S1 2.4311(7) . ? Ir1 P1 2.9196(7) . ? Cl1 C33 1.737(3) . ? Cl2 C39 1.748(3) . ? S1 P1 2.0012(9) . ? S2 O2 1.440(2) . ? S2 O1 1.4416(19) . ? S2 C1 1.759(2) . ? S2 C14 1.770(3) . ? P1 C1 1.802(3) . ? P1 C2 1.803(3) . ? P1 C8 1.812(3) . ? P2 O3 1.5052(18) . ? P2 C30 1.830(3) . ? P2 C36 1.841(3) . ? C2 C7 1.388(4) . ? C2 C3 1.397(4) . ? C3 C4 1.381(4) . ? C4 C5 1.381(4) . ? C5 C6 1.383(4) . ? C6 C7 1.386(4) . ? C8 C13 1.388(4) . ? C8 C9 1.388(4) . ? C9 C10 1.383(4) . ? C10 C11 1.374(4) . ? C11 C12 1.377(4) . ? C12 C13 1.381(4) . ? C14 C19 1.382(4) . ? C14 C15 1.388(4) . ? C15 C16 1.380(4) . ? C16 C17 1.381(4) . ? C17 C18 1.373(4) . ? C18 C19 1.380(4) . ? C20 C24 1.430(4) . ? C20 C21 1.441(4) . ? C20 C25 1.495(4) . ? C21 C22 1.408(4) . ? C21 C26 1.499(4) . ? C22 C23 1.448(4) . ? C22 C27 1.493(4) . ? C23 C24 1.433(4) . ? C23 C28 1.495(4) . ? C24 C29 1.483(4) . ? C30 C31 1.385(4) . ? C30 C35 1.391(4) . ? C31 C32 1.383(4) . ? C32 C33 1.374(4) . ? C33 C34 1.379(4) . ? C34 C35 1.374(4) . ? C36 C41 1.396(3) . ? C36 C37 1.399(4) . ? C37 C38 1.388(4) . ? C38 C39 1.378(4) . ? C39 C40 1.378(4) . ? C40 C41 1.381(4) . ? C1_1 C2_1 1.354(5) . ? C1_1 C6_1 1.357(5) . ? C4_1 C5_1 1.361(5) . ? C4_1 C3_1 1.373(5) . ? C5_1 C6_1 1.384(6) . ? C2_1 C3_1 1.373(5) . ? C1_2 C2_2 1.367(5) . ? C1_2 C3_2 1.369(5) 3_766 ? C2_2 C3_2 1.366(5) . ? C3_2 C1_2 1.369(5) 3_766 ? 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 C1 Ir1 C20 164.62(10) . . ? C1 Ir1 C23 111.59(10) . . ? C20 Ir1 C23 63.93(10) . . ? C1 Ir1 C24 145.58(9) . . ? C20 Ir1 C24 38.00(10) . . ? C23 Ir1 C24 38.04(10) . . ? C1 Ir1 C21 126.98(10) . . ? C20 Ir1 C21 37.65(10) . . ? C23 Ir1 C21 62.15(10) . . ? C24 Ir1 C21 62.11(10) . . ? C1 Ir1 P2 94.07(7) . . ? C20 Ir1 P2 101.10(7) . . ? C23 Ir1 P2 115.51(7) . . ? C24 Ir1 P2 90.35(7) . . ? C21 Ir1 P2 137.88(7) . . ? C1 Ir1 C22 104.86(10) . . ? C20 Ir1 C22 62.16(10) . . ? C23 Ir1 C22 37.46(9) . . ? C24 Ir1 C22 62.00(10) . . ? C21 Ir1 C22 35.83(10) . . ? P2 Ir1 C22 151.43(7) . . ? C1 Ir1 S1 75.08(7) . . ? C20 Ir1 S1 103.52(7) . . ? C23 Ir1 S1 156.89(8) . . ? C24 Ir1 S1 139.34(7) . . ? C21 Ir1 S1 95.79(7) . . ? P2 Ir1 S1 85.11(2) . . ? C22 Ir1 S1 120.07(7) . . ? C1 Ir1 P1 38.00(7) . . ? C20 Ir1 P1 132.72(7) . . ? C23 Ir1 P1 131.15(7) . . ? C24 Ir1 P1 163.73(7) . . ? C21 Ir1 P1 102.89(7) . . ? P2 Ir1 P1 105.71(2) . . ? C22 Ir1 P1 102.34(7) . . ? S1 Ir1 P1 42.72(2) . . ? P1 S1 Ir1 81.78(3) . . ? O2 S2 O1 117.88(12) . . ? O2 S2 C1 111.45(12) . . ? O1 S2 C1 107.09(12) . . ? O2 S2 C14 107.24(12) . . ? O1 S2 C14 107.33(12) . . ? C1 S2 C14 105.05(12) . . ? C1 P1 C2 120.28(12) . . ? C1 P1 C8 114.55(12) . . ? C2 P1 C8 103.75(12) . . ? C1 P1 S1 95.31(8) . . ? C2 P1 S1 111.12(9) . . ? C8 P1 S1 111.92(9) . . ? C1 P1 Ir1 48.02(8) . . ? C2 P1 Ir1 107.23(8) . . ? C8 P1 Ir1 149.01(9) . . ? S1 P1 Ir1 55.50(2) . . ? O3 P2 C30 108.09(11) . . ? O3 P2 C36 106.11(11) . . ? C30 P2 C36 98.18(12) . . ? O3 P2 Ir1 113.24(8) . . ? C30 P2 Ir1 113.77(9) . . ? C36 P2 Ir1 116.12(8) . . ? S2 C1 P1 124.15(14) . . ? S2 C1 Ir1 125.48(13) . . ? P1 C1 Ir1 93.97(11) . . ? C7 C2 C3 119.7(2) . . ? C7 C2 P1 125.4(2) . . ? C3 C2 P1 114.38(19) . . ? C4 C3 C2 120.4(2) . . ? C5 C4 C3 119.5(3) . . ? C4 C5 C6 120.5(3) . . ? C5 C6 C7 120.3(2) . . ? C6 C7 C2 119.6(2) . . ? C13 C8 C9 119.4(3) . . ? C13 C8 P1 118.6(2) . . ? C9 C8 P1 122.0(2) . . ? C10 C9 C8 120.0(3) . . ? C11 C10 C9 120.1(3) . . ? C10 C11 C12 120.4(3) . . ? C11 C12 C13 119.9(3) . . ? C12 C13 C8 120.2(3) . . ? C19 C14 C15 120.7(3) . . ? C19 C14 S2 119.6(2) . . ? C15 C14 S2 119.7(2) . . ? C16 C15 C14 119.6(3) . . ? C15 C16 C17 119.6(3) . . ? C18 C17 C16 120.5(3) . . ? C17 C18 C19 120.5(3) . . ? C18 C19 C14 119.0(3) . . ? C24 C20 C21 107.1(2) . . ? C24 C20 C25 125.9(2) . . ? C21 C20 C25 126.2(2) . . ? C24 C20 Ir1 71.62(15) . . ? C21 C20 Ir1 74.38(15) . . ? C25 C20 Ir1 127.24(19) . . ? C22 C21 C20 109.1(2) . . ? C22 C21 C26 127.2(3) . . ? C20 C21 C26 123.6(3) . . ? C22 C21 Ir1 73.31(16) . . ? C20 C21 Ir1 67.97(15) . . ? C26 C21 Ir1 126.6(2) . . ? C21 C22 C23 107.6(2) . . ? C21 C22 C27 126.7(3) . . ? C23 C22 C27 125.2(2) . . ? C21 C22 Ir1 70.86(15) . . ? C23 C22 Ir1 67.05(14) . . ? C27 C22 Ir1 133.95(19) . . ? C24 C23 C22 107.5(2) . . ? C24 C23 C28 126.2(3) . . ? C22 C23 C28 124.8(2) . . ? C24 C23 Ir1 71.43(14) . . ? C22 C23 Ir1 75.49(14) . . ? C28 C23 Ir1 129.3(2) . . ? C20 C24 C23 108.2(2) . . ? C20 C24 C29 124.9(2) . . ? C23 C24 C29 126.6(2) . . ? C20 C24 Ir1 70.38(15) . . ? C23 C24 Ir1 70.53(15) . . ? C29 C24 Ir1 129.75(19) . . ? C31 C30 C35 118.6(3) . . ? C31 C30 P2 123.3(2) . . ? C35 C30 P2 118.1(2) . . ? C32 C31 C30 120.6(3) . . ? C33 C32 C31 119.3(3) . . ? C32 C33 C34 121.3(3) . . ? C32 C33 Cl1 119.7(2) . . ? C34 C33 Cl1 119.0(2) . . ? C35 C34 C33 118.8(3) . . ? C34 C35 C30 121.3(3) . . ? C41 C36 C37 117.8(2) . . ? C41 C36 P2 116.6(2) . . ? C37 C36 P2 125.5(2) . . ? C38 C37 C36 121.5(2) . . ? C39 C38 C37 118.7(3) . . ? C38 C39 C40 121.4(3) . . ? C38 C39 Cl2 120.2(2) . . ? C40 C39 Cl2 118.4(2) . . ? C39 C40 C41 119.5(3) . . ? C40 C41 C36 121.1(3) . . ? C2_1 C1_1 C6_1 119.4(4) . . ? C5_1 C4_1 C3_1 118.8(4) . . ? C4_1 C5_1 C6_1 119.8(4) . . ? C1_1 C6_1 C5_1 120.8(4) . . ? C1_1 C2_1 C3_1 120.3(3) . . ? C2_1 C3_1 C4_1 120.8(3) . . ? C2_2 C1_2 C3_2 119.9(3) . 3_766 ? C3_2 C2_2 C1_2 120.1(3) . . ? C2_2 C3_2 C1_2 120.0(3) . 3_766 ? _refine_diff_density_max 0.797 _refine_diff_density_min -0.366 _refine_diff_density_rms 0.070 _shelx_res_file ; sad.res created by SHELXL-2014/7 TITL sad in P2(1)/n CELL 0.71073 13.0190 23.4383 14.9496 90.000 95.295 90.000 ZERR 4.00 0.0006 0.0011 0.0007 0.000 0.002 0.000 LATT 1 SYMM 0.5-X, 0.5+Y, 0.5-Z SFAC C H O P S Cl Ir UNIT 200 192 12 8 8 8 4 L.S. 8 omit -3 50 size 0.21 0.20 0.11 temp -100 BOND FMAP 2 PLAN 20 acta WGHT 0.025500 3.231700 FVAR 0.07517 IR1 7 0.653287 0.441010 0.837876 11.00000 0.01412 0.01923 = 0.01452 -0.00094 0.00186 0.00074 CL1 6 1.016054 0.187365 0.814442 11.00000 0.03136 0.03489 = 0.07286 -0.01740 0.00257 0.01187 CL2 6 0.339447 0.195002 1.021776 11.00000 0.04638 0.03024 = 0.04164 0.00317 0.00967 -0.01491 S1 5 0.502934 0.453237 0.921073 11.00000 0.01872 0.02341 = 0.01459 -0.00236 0.00181 -0.00012 S2 5 0.533452 0.369898 0.650293 11.00000 0.02113 0.02602 = 0.01461 -0.00437 -0.00010 0.00454 P1 4 0.429326 0.436961 0.800292 11.00000 0.01726 0.01784 = 0.01473 -0.00074 0.00219 0.00018 P2 4 0.694802 0.367504 0.936003 11.00000 0.01788 0.02147 = 0.01502 -0.00060 0.00042 0.00220 O1 3 0.604141 0.322479 0.652267 11.00000 0.02725 0.03446 = 0.02524 -0.00909 -0.00237 0.01395 O2 3 0.549481 0.416410 0.590247 11.00000 0.02646 0.03514 = 0.01590 -0.00019 0.00460 -0.00068 O3 3 0.735572 0.387455 1.028215 11.00000 0.02562 0.02796 = 0.01608 -0.00154 -0.00156 0.00019 C1 1 0.530820 0.393759 0.761591 11.00000 0.01534 0.01734 = 0.01535 -0.00085 -0.00050 0.00029 C2 1 0.390393 0.502090 0.742594 11.00000 0.01373 0.01953 = 0.02035 0.00095 0.00113 -0.00258 C3 1 0.344827 0.542148 0.795688 11.00000 0.02193 0.02449 = 0.01845 -0.00165 0.00283 -0.00040 AFIX 43 H3 2 0.345176 0.536033 0.858535 11.00000 -1.20000 AFIX 0 C4 1 0.299249 0.590614 0.757336 11.00000 0.02145 0.02261 = 0.03004 -0.00297 0.00116 0.00013 AFIX 43 H4 2 0.267975 0.617704 0.793538 11.00000 -1.20000 AFIX 0 C5 1 0.299458 0.599417 0.666006 11.00000 0.02146 0.02307 = 0.03311 0.00486 -0.00458 -0.00144 AFIX 43 H5 2 0.267004 0.632328 0.639235 11.00000 -1.20000 AFIX 0 C6 1 0.346581 0.560659 0.613232 11.00000 0.02345 0.02808 = 0.01952 0.00488 0.00026 -0.00666 AFIX 43 H6 2 0.348432 0.567754 0.550836 11.00000 -1.20000 AFIX 0 C7 1 0.391117 0.511507 0.651002 11.00000 0.01897 0.02372 = 0.01901 -0.00004 0.00309 -0.00030 AFIX 43 H7 2 0.421928 0.484449 0.614430 11.00000 -1.20000 AFIX 0 C8 1 0.308887 0.399479 0.808949 11.00000 0.02163 0.02132 = 0.01898 -0.00388 0.00445 -0.00007 C9 1 0.219697 0.413176 0.755155 11.00000 0.02186 0.02845 = 0.02703 0.00062 0.00176 -0.00168 AFIX 43 H9 2 0.220464 0.443225 0.712577 11.00000 -1.20000 AFIX 0 C10 1 0.129714 0.383101 0.763505 11.00000 0.01839 0.03853 = 0.04603 0.00167 -0.00226 -0.00165 AFIX 43 H10 2 0.068777 0.392395 0.726458 11.00000 -1.20000 AFIX 0 C11 1 0.128321 0.339775 0.825337 11.00000 0.02206 0.03610 = 0.05983 0.00041 0.01148 -0.00690 AFIX 43 H11 2 0.066159 0.319477 0.831290 11.00000 -1.20000 AFIX 0 C12 1 0.216518 0.325630 0.878697 11.00000 0.03331 0.02569 = 0.05011 0.00925 0.01067 -0.00309 AFIX 43 H12 2 0.215311 0.295400 0.920918 11.00000 -1.20000 AFIX 0 C13 1 0.306756 0.355437 0.870780 11.00000 0.02527 0.02207 = 0.03294 0.00227 0.00474 0.00153 AFIX 43 H13 2 0.367529 0.345759 0.907770 11.00000 -1.20000 AFIX 0 C14 1 0.408304 0.342645 0.619921 11.00000 0.02366 0.02181 = 0.01728 -0.00857 -0.00199 0.00532 C15 1 0.372734 0.296502 0.666363 11.00000 0.03118 0.02553 = 0.02273 -0.00485 -0.00486 0.00207 AFIX 43 H15 2 0.416173 0.278761 0.712816 11.00000 -1.20000 AFIX 0 C16 1 0.273826 0.276545 0.644630 11.00000 0.04164 0.02598 = 0.03377 -0.00754 0.00179 -0.00572 AFIX 43 H16 2 0.248412 0.245351 0.676658 11.00000 -1.20000 AFIX 0 C17 1 0.212014 0.302191 0.576047 11.00000 0.02698 0.03135 = 0.04201 -0.01500 -0.00646 -0.00033 AFIX 43 H17 2 0.143683 0.288761 0.561390 11.00000 -1.20000 AFIX 0 C18 1 0.248540 0.346936 0.528890 11.00000 0.02997 0.03374 = 0.03028 -0.01169 -0.01182 0.00980 AFIX 43 H18 2 0.205963 0.363534 0.480771 11.00000 -1.20000 AFIX 0 C19 1 0.346612 0.367988 0.550843 11.00000 0.03093 0.02499 = 0.02187 -0.00572 -0.00330 0.00345 AFIX 43 H19 2 0.371371 0.399430 0.518961 11.00000 -1.20000 AFIX 0 C20 1 0.759099 0.507475 0.892588 11.00000 0.01870 0.02056 = 0.02639 -0.00185 0.00329 -0.00612 C21 1 0.688669 0.535564 0.826693 11.00000 0.01661 0.01950 = 0.03438 0.00210 0.00496 -0.00340 C22 1 0.698942 0.511505 0.741645 11.00000 0.01607 0.02622 = 0.02626 0.00551 0.00347 -0.00425 C23 1 0.774645 0.466248 0.753499 11.00000 0.01872 0.02578 = 0.02187 0.00118 0.00648 -0.00496 C24 1 0.816501 0.467115 0.845547 11.00000 0.01800 0.02269 = 0.02634 0.00022 0.00498 -0.00353 C25 1 0.780962 0.524282 0.988948 11.00000 0.03232 0.03162 = 0.02681 -0.00797 0.00175 -0.00656 AFIX 137 H25A 2 0.836164 0.552841 0.994422 11.00000 -1.50000 H25B 2 0.802549 0.490610 1.024739 11.00000 -1.50000 H25C 2 0.718501 0.540412 1.010840 11.00000 -1.50000 AFIX 0 C26 1 0.620154 0.584136 0.848161 11.00000 0.02324 0.02372 = 0.04405 0.00012 0.00760 -0.00044 AFIX 137 H26A 2 0.565490 0.588987 0.799130 11.00000 -1.50000 H26B 2 0.660988 0.619237 0.855307 11.00000 -1.50000 H26C 2 0.589196 0.575935 0.904080 11.00000 -1.50000 AFIX 0 C27 1 0.652679 0.533493 0.653207 11.00000 0.02825 0.03752 = 0.03064 0.01273 0.00170 -0.00471 AFIX 137 H27A 2 0.703994 0.556252 0.625020 11.00000 -1.50000 H27B 2 0.592748 0.557347 0.662457 11.00000 -1.50000 H27C 2 0.630931 0.501311 0.614098 11.00000 -1.50000 AFIX 0 C28 1 0.817387 0.434312 0.678686 11.00000 0.02564 0.04401 = 0.02783 -0.00370 0.01221 -0.00160 AFIX 137 H28A 2 0.761907 0.426371 0.631474 11.00000 -1.50000 H28B 2 0.847486 0.398274 0.701691 11.00000 -1.50000 H28C 2 0.870783 0.457357 0.653858 11.00000 -1.50000 AFIX 0 C29 1 0.910014 0.436672 0.884486 11.00000 0.01625 0.03040 = 0.03603 0.00248 0.00013 -0.00025 AFIX 137 H29A 2 0.919469 0.401798 0.850025 11.00000 -1.50000 H29B 2 0.901963 0.426713 0.947123 11.00000 -1.50000 H29C 2 0.970406 0.461388 0.882043 11.00000 -1.50000 AFIX 0 C30 1 0.787583 0.316898 0.896351 11.00000 0.01750 0.02153 = 0.02498 -0.00014 0.00056 -0.00146 C31 1 0.788577 0.301263 0.807066 11.00000 0.02324 0.03318 = 0.02476 -0.00559 -0.00121 0.00446 AFIX 43 H31 2 0.741431 0.318492 0.762814 11.00000 -1.20000 AFIX 0 C32 1 0.857621 0.260782 0.781785 11.00000 0.02517 0.03985 = 0.03496 -0.01523 0.00063 0.00370 AFIX 43 H32 2 0.857163 0.249625 0.720657 11.00000 -1.20000 AFIX 0 C33 1 0.926851 0.236881 0.845960 11.00000 0.02191 0.01963 = 0.04706 -0.00678 0.00674 0.00127 C34 1 0.929067 0.252500 0.935073 11.00000 0.02307 0.02371 = 0.03708 0.01118 0.00338 0.00080 AFIX 43 H34 2 0.978133 0.236198 0.978698 11.00000 -1.20000 AFIX 0 C35 1 0.859001 0.292076 0.959602 11.00000 0.02130 0.02741 = 0.02539 0.00504 0.00402 -0.00105 AFIX 43 H35 2 0.859350 0.302688 1.020960 11.00000 -1.20000 AFIX 0 C36 1 0.590497 0.316686 0.952897 11.00000 0.02163 0.01986 = 0.01541 0.00326 -0.00127 0.00548 C37 1 0.558604 0.271938 0.894927 11.00000 0.02592 0.02413 = 0.01699 0.00049 -0.00079 0.00637 AFIX 43 H37 2 0.590104 0.267316 0.840541 11.00000 -1.20000 AFIX 0 C38 1 0.481976 0.234146 0.915088 11.00000 0.02849 0.02037 = 0.02589 0.00034 -0.00430 0.00249 AFIX 43 H38 2 0.461019 0.203925 0.875154 11.00000 -1.20000 AFIX 0 C39 1 0.436904 0.241324 0.994161 11.00000 0.02740 0.01776 = 0.03020 0.00649 0.00237 -0.00042 C40 1 0.466856 0.284674 1.053157 11.00000 0.03646 0.02398 = 0.02149 0.00317 0.00840 0.00446 AFIX 43 H40 2 0.435032 0.288908 1.107455 11.00000 -1.20000 AFIX 0 C41 1 0.543491 0.321908 1.032726 11.00000 0.02893 0.01829 = 0.01931 -0.00049 0.00169 0.00243 AFIX 43 H41 2 0.564575 0.351572 1.073677 11.00000 -1.20000 AFIX 0 RESI 1 C1 1 0.871915 0.670657 0.813374 11.00000 0.03267 0.05276 = 0.07992 -0.02259 -0.00378 -0.00233 AFIX 43 H1 2 0.828418 0.700805 0.829410 11.00000 -1.20000 AFIX 0 C4 1 1.001567 0.585148 0.765455 11.00000 0.04075 0.05030 = 0.04355 0.00005 0.00612 0.00087 AFIX 43 H4 2 1.046090 0.555757 0.748434 11.00000 -1.20000 AFIX 0 C5 1 1.022035 0.613213 0.844788 11.00000 0.04364 0.09802 = 0.04567 -0.00675 -0.01200 0.01184 AFIX 43 H5 2 1.081806 0.603905 0.883339 11.00000 -1.20000 AFIX 0 C6 1 0.955550 0.655351 0.869169 11.00000 0.04756 0.13357 = 0.07205 -0.06254 -0.01732 0.01251 AFIX 43 H6 2 0.968616 0.673792 0.925662 11.00000 -1.20000 AFIX 0 C2 1 0.851052 0.642572 0.734671 11.00000 0.03265 0.05902 = 0.04302 0.00840 -0.00251 -0.00422 AFIX 43 H2 2 0.791591 0.652335 0.696049 11.00000 -1.20000 AFIX 0 C3 1 0.915463 0.600046 0.710448 11.00000 0.04024 0.06244 = 0.03260 -0.00706 0.00216 -0.01194 AFIX 43 H3 2 0.900283 0.580695 0.654965 11.00000 -1.20000 AFIX 0 RESI 0 RESI 2 C1 1 1.022517 0.443759 0.516443 11.00000 0.03679 0.03995 = 0.04936 0.01053 0.01350 0.01038 AFIX 43 H1A 2 1.038031 0.404716 0.528196 11.00000 -1.20000 AFIX 0 H1 2 0.521375 0.360826 0.790006 11.00000 0.02090 C2 1 0.928579 0.458923 0.474838 11.00000 0.03207 0.05111 = 0.03405 -0.00360 -0.00010 -0.00529 AFIX 43 H2 2 0.879090 0.430362 0.457025 11.00000 -1.20000 AFIX 0 C3 1 0.905792 0.515099 0.458849 11.00000 0.02671 0.06599 = 0.03363 0.01443 -0.00425 0.00656 AFIX 43 H3 2 0.840179 0.525619 0.430576 11.00000 -1.20000 RESI 0 AFIX 0 HKLF 4 REM sad in P2(1)/n REM R1 = 0.0201 for 7189 Fo > 4sig(Fo) and 0.0249 for all 8005 data REM 550 parameters refined using 0 restraints END WGHT 0.0228 3.6162 REM Highest difference peak 0.797, deepest hole -0.366, 1-sigma level 0.070 Q1 1 0.6374 0.4755 0.8570 11.00000 0.05 0.80 Q2 1 0.6857 0.4132 0.7995 11.00000 0.05 0.66 Q3 1 0.5963 0.4463 0.7969 11.00000 0.05 0.63 Q4 1 0.6197 0.4108 0.8649 11.00000 0.05 0.60 Q5 1 0.6319 0.4505 0.7759 11.00000 0.05 0.57 Q6 1 0.6581 0.4252 0.7807 11.00000 0.05 0.52 Q7 1 0.6758 0.4032 0.8825 11.00000 0.05 0.40 Q8 1 0.4329 0.4771 0.7695 11.00000 0.05 0.39 Q9 1 0.6590 0.4507 0.9172 11.00000 0.05 0.38 Q10 1 1.0626 0.2114 0.7811 11.00000 0.05 0.38 Q11 1 0.9720 0.6221 0.8765 11.00000 0.05 0.37 Q12 1 0.4493 0.4467 0.8631 11.00000 0.05 0.37 Q13 1 0.6937 0.4407 0.8984 11.00000 0.05 0.37 Q14 1 0.4677 0.3577 0.6272 11.00000 0.05 0.34 Q15 1 0.5836 0.4525 0.8732 11.00000 0.05 0.33 Q16 1 0.6573 0.5555 0.8329 11.00000 0.05 0.33 Q17 1 0.5015 0.4278 0.7917 11.00000 0.05 0.33 Q18 1 0.5248 0.3791 0.7161 11.00000 0.05 0.32 Q19 1 0.5933 0.2844 0.9390 11.00000 0.05 0.31 Q20 1 0.5625 0.3237 0.9845 11.00000 0.05 0.31 ; _shelx_res_checksum 21415 _shelx_hkl_file ; -1 0 0 0.02 0.06 -1 0 0 0.01 0.06 -1 0 0 0.30 0.14 -1 0 0 0.06 0.05 1 0 0 -0.02 0.02 1 0 0 0.07 0.08 1 0 0 0.07 0.08 1 0 0 -0.01 0.09 1 0 0 0.01 0.07 -1 0 0 -0.01 0.05 -2 0 0 17.64 0.83 -2 0 0 17.32 0.93 -2 0 0 18.06 0.62 -2 0 0 17.54 0.73 2 0 0 18.30 0.70 2 0 0 20.05 0.85 2 0 0 15.47 0.56 2 0 0 18.31 0.92 2 0 0 14.86 0.59 -2 0 0 18.08 0.70 2 0 0 17.69 0.75 -2 0 0 17.64 0.77 3 0 0 -0.55 0.21 -3 0 0 -0.97 0.29 -3 0 0 -0.66 0.21 3 0 0 -0.49 0.22 3 0 0 -0.25 0.13 3 0 0 -0.52 0.10 3 0 0 -0.24 0.16 -3 0 0 -0.58 0.24 3 0 0 0.07 0.39 -3 0 0 -0.59 0.13 -3 0 0 -0.61 0.21 -4 0 0 120.20 3.90 -4 0 0 119.98 4.44 -4 0 0 122.11 3.82 -4 0 0 111.26 4.06 4 0 0 112.43 3.77 4 0 0 115.92 3.79 4 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9.62 1 4 0 338.45 10.22 -1 4 0 335.01 9.77 1 4 0 341.15 10.30 -1 4 0 323.05 9.57 1 4 0 333.60 9.67 1 4 0 326.92 9.65 -1 4 0 339.58 10.08 2 -4 0 0.60 0.30 2 -4 0 0.95 0.29 -2 -4 0 0.63 0.35 2 -4 0 1.08 0.30 -2 -4 0 1.02 0.30 -2 -4 0 1.07 0.31 2 -4 0 1.52 0.39 -2 -4 0 1.00 0.20 2 -4 0 0.94 0.24 -2 -4 0 0.95 0.17 2 4 0 0.86 0.16 -2 4 0 0.79 0.22 2 4 0 0.90 0.30 -2 4 0 1.30 0.29 -2 4 0 0.69 0.29 2 4 0 0.83 0.29 2 4 0 0.80 0.20 -2 4 0 0.79 0.29 2 4 0 1.40 0.40 -3 -4 0 0.03 0.42 -3 -4 0 0.17 0.17 -3 -4 0 0.61 0.25 3 -4 0 0.06 0.33 3 -4 0 0.16 0.29 3 -4 0 0.18 0.30 -3 -4 0 -0.01 0.19 3 -4 0 0.10 0.33 3 -4 0 0.36 0.23 -3 -4 0 0.22 0.27 3 4 0 0.05 0.19 -3 4 0 0.35 0.28 3 4 0 0.09 0.26 3 4 0 0.15 0.27 3 4 0 -0.17 0.15 -3 4 0 0.33 0.29 -3 4 0 -0.05 0.39 3 4 0 0.65 0.42 -3 4 0 0.05 0.20 4 -4 0 28.93 1.29 -4 -4 0 29.02 1.74 -4 -4 0 27.91 1.16 -4 -4 0 29.19 1.29 4 -4 0 26.88 1.48 4 -4 0 27.20 1.38 4 -4 0 25.59 1.27 4 -4 0 26.59 1.45 -4 -4 0 28.59 1.05 4 -4 0 29.49 1.39 -4 -4 0 31.02 1.34 4 4 0 27.97 1.32 -4 4 0 28.71 1.30 -4 4 0 30.05 1.58 4 4 0 32.03 1.42 4 4 0 30.35 1.18 4 4 0 27.43 1.61 -4 4 0 27.78 1.35 -4 4 0 28.76 1.43 4 4 0 29.50 1.13 -4 4 0 27.72 1.54 -5 -4 0 357.44 11.18 5 -4 0 347.74 11.06 5 -4 0 373.63 11.15 -5 -4 0 365.01 10.88 5 -4 0 371.03 11.51 -5 -4 0 362.45 10.49 5 -4 0 365.71 11.96 -5 -4 0 378.58 10.95 -5 -4 0 364.88 10.49 -5 -4 0 363.45 10.97 5 -4 0 382.32 11.44 5 -4 0 357.58 10.93 -5 -4 0 359.37 12.30 -5 4 0 366.98 11.60 5 4 0 377.23 11.34 -5 4 0 374.75 11.19 5 4 0 365.55 10.98 5 4 0 382.47 12.19 5 4 0 366.54 11.00 -5 4 0 366.49 11.07 -5 4 0 363.85 11.54 -5 4 0 362.16 12.09 6 -4 0 3.95 0.59 -6 -4 0 2.37 0.44 6 -4 0 2.89 0.66 -6 -4 0 2.03 0.81 6 -4 0 4.18 0.66 -6 -4 0 2.52 0.54 6 -4 0 2.84 0.76 6 -4 0 1.97 0.69 6 -4 0 2.14 0.46 6 -4 0 3.40 0.70 -6 4 0 2.93 0.54 -6 4 0 3.84 0.90 6 4 0 2.49 0.45 -6 4 0 2.98 0.66 6 4 0 2.76 0.64 6 4 0 3.23 0.66 -6 4 0 3.30 0.73 7 -4 0 29.52 1.44 -7 -4 0 26.41 1.55 7 -4 0 25.93 1.67 7 -4 0 24.03 1.73 7 -4 0 27.03 1.46 -7 -4 0 26.03 1.35 7 -4 0 26.34 1.57 -7 -4 0 26.95 2.15 7 -4 0 29.32 1.29 7 4 0 24.69 1.61 -7 4 0 24.71 1.80 -7 4 0 26.27 1.52 7 4 0 24.80 1.32 -7 4 0 27.13 2.01 -7 4 0 26.09 1.53 7 4 0 26.94 1.58 -8 -4 0 2.05 0.50 8 -4 0 2.84 0.57 8 -4 0 2.39 0.75 8 -4 0 1.38 0.47 8 -4 0 1.98 0.46 -8 -4 0 2.38 1.02 8 -4 0 0.67 0.62 8 -4 0 2.07 0.67 -8 -4 0 1.81 0.56 8 4 0 2.71 0.70 -8 4 0 2.17 0.75 -8 4 0 2.33 0.65 8 4 0 1.36 0.62 -8 4 0 2.07 1.03 -8 4 0 1.59 0.54 9 -4 0 110.75 3.62 9 -4 0 115.30 4.68 9 -4 0 105.50 4.34 9 -4 0 109.22 3.86 -9 -4 0 104.31 5.26 9 -4 0 101.76 4.15 -9 4 0 105.53 4.80 -9 4 0 106.56 5.10 9 4 0 106.05 4.21 -9 4 0 108.91 4.13 10 -4 0 3.15 0.62 10 -4 0 1.88 0.47 10 -4 0 1.11 0.78 -10 -4 0 1.42 1.10 10 -4 0 2.51 0.83 -10 4 0 1.31 0.98 -10 4 0 2.14 0.73 10 4 0 1.44 0.72 -11 -4 0 103.46 5.71 11 -4 0 111.73 4.49 11 4 0 103.13 4.43 -11 4 0 101.30 5.39 -11 4 0 108.76 4.14 12 -4 0 19.41 2.04 -12 -4 0 18.61 2.84 12 4 0 19.29 2.00 -12 4 0 20.68 2.74 13 -4 0 1.65 0.98 -13 -4 0 1.55 1.42 -13 4 0 -0.45 1.08 13 4 0 0.87 0.96 -14 -4 0 11.64 2.49 14 -4 0 8.82 1.55 14 4 0 5.55 1.41 -14 4 0 8.09 2.34 15 -4 0 45.00 3.08 -15 -4 0 38.01 4.46 -15 4 0 40.30 4.49 15 4 0 42.57 3.00 16 -4 0 0.29 0.97 -16 -4 0 0.73 2.00 -16 4 0 -0.44 1.35 16 4 0 -0.35 1.10 0 -5 0 -0.19 0.15 0 -5 0 -0.49 0.26 0 -5 0 -0.20 0.18 0 -5 0 -0.21 0.09 0 -5 0 -0.16 0.10 0 -5 0 -0.16 0.12 0 5 0 0.18 0.34 0 5 0 -0.22 0.12 0 5 0 -0.07 0.11 0 5 0 -0.34 0.17 1 -5 0 2.74 0.35 1 -5 0 3.36 0.52 -1 -5 0 2.76 0.46 1 -5 0 2.43 0.32 -1 -5 0 2.00 0.33 -1 -5 0 2.60 0.39 -1 -5 0 2.90 0.37 -1 -5 0 2.08 0.21 -1 -5 0 2.18 0.21 1 -5 0 2.52 0.29 1 5 0 2.56 0.24 1 5 0 2.72 0.24 1 5 0 2.33 0.36 -1 5 0 2.96 0.31 -1 5 0 2.91 0.36 1 5 0 2.86 0.37 1 5 0 1.84 0.41 2 -5 0 5.78 0.45 -2 -5 0 5.67 0.34 -2 -5 0 6.18 0.70 2 -5 0 6.14 0.56 -2 -5 0 5.57 0.53 -2 -5 0 5.39 0.36 2 -5 0 5.31 0.49 -2 -5 0 5.90 0.57 2 -5 0 7.51 0.65 2 -5 0 6.14 0.69 2 5 0 5.29 0.53 2 5 0 6.29 0.67 2 5 0 5.70 0.34 -2 5 0 5.10 0.50 2 5 0 6.45 0.65 2 5 0 6.54 0.41 -2 5 0 5.10 0.57 -2 5 0 5.46 0.49 -2 5 0 4.54 0.47 -3 -5 0 365.70 11.00 3 -5 0 353.16 11.08 -3 -5 0 365.96 11.30 3 -5 0 373.00 10.94 -3 -5 0 376.41 12.02 -3 -5 0 383.76 10.92 3 -5 0 373.90 11.32 -3 -5 0 370.18 10.91 3 -5 0 380.46 11.61 3 -5 0 375.59 11.66 3 5 0 369.13 11.40 3 5 0 370.62 11.02 -3 5 0 357.24 11.36 3 5 0 369.46 10.94 3 5 0 369.95 10.90 3 5 0 394.94 11.95 -3 5 0 373.06 11.72 -3 5 0 363.20 11.11 -3 5 0 380.10 10.91 -3 5 0 370.76 11.68 4 -5 0 329.30 10.24 -4 -5 0 319.45 9.47 -4 -5 0 310.92 9.42 4 -5 0 317.12 10.02 4 -5 0 315.40 9.44 -4 -5 0 317.71 9.62 -4 -5 0 301.62 10.56 4 -5 0 306.27 9.61 4 -5 0 333.12 9.95 -4 -5 0 307.98 9.57 4 -5 0 314.12 9.54 4 5 0 311.28 9.43 -4 5 0 312.21 9.99 -4 5 0 321.57 9.66 4 5 0 314.39 9.50 4 5 0 337.22 10.51 -4 5 0 324.09 10.35 -4 5 0 317.32 10.12 -4 5 0 319.88 9.50 4 5 0 321.20 9.57 4 5 0 309.94 9.70 4 5 0 310.58 9.73 5 -5 0 93.62 3.40 5 -5 0 90.28 3.24 5 -5 0 92.46 3.62 -5 -5 0 91.85 2.91 -5 -5 0 91.59 2.77 5 -5 0 86.89 3.52 5 -5 0 88.61 3.24 5 -5 0 91.27 3.38 -5 -5 0 88.33 3.95 -5 -5 0 97.07 3.09 -5 -5 0 88.78 3.24 -5 5 0 91.67 3.51 5 5 0 90.99 3.02 5 5 0 91.23 3.07 -5 5 0 85.66 3.25 -5 5 0 90.40 3.73 5 5 0 89.91 3.37 -5 5 0 89.37 3.63 5 5 0 94.79 3.31 6 -5 0 205.14 7.05 6 -5 0 205.83 7.26 -6 -5 0 207.50 6.71 6 -5 0 218.35 6.87 6 -5 0 200.32 6.63 -6 -5 0 183.92 7.58 6 -5 0 198.76 6.57 6 -5 0 212.84 6.46 6 -5 0 195.69 6.72 -6 -5 0 206.08 6.46 -6 5 0 207.79 6.98 6 5 0 202.29 6.62 -6 5 0 214.68 6.73 6 5 0 212.74 6.88 6 5 0 208.75 6.47 -6 5 0 204.20 7.17 -6 5 0 206.34 7.48 7 -5 0 1.62 0.60 -7 -5 0 0.41 0.73 -7 -5 0 0.33 0.31 7 -5 0 0.43 0.37 -7 -5 0 0.99 0.45 7 -5 0 1.10 0.62 7 -5 0 1.03 0.53 7 -5 0 0.49 0.51 7 -5 0 0.51 0.41 7 5 0 0.06 0.45 -7 5 0 0.30 0.62 7 5 0 0.48 0.33 7 5 0 1.04 0.50 -7 5 0 1.18 0.60 -7 5 0 1.08 0.48 -7 5 0 1.46 0.62 -8 -5 0 206.36 8.48 8 -5 0 214.05 7.21 8 -5 0 228.25 6.88 8 -5 0 210.33 7.69 -8 -5 0 224.58 7.07 8 -5 0 214.89 7.20 8 -5 0 227.60 7.27 8 -5 0 215.48 7.39 8 5 0 226.39 7.56 -8 5 0 212.43 7.92 -8 5 0 221.91 7.47 -8 5 0 206.20 8.22 -8 5 0 228.57 7.37 8 5 0 212.32 7.24 9 -5 0 41.68 1.95 9 -5 0 36.21 2.37 9 -5 0 37.78 2.31 9 -5 0 41.15 1.76 -9 -5 0 42.80 3.06 9 -5 0 39.17 2.19 9 5 0 37.86 2.19 -9 5 0 37.72 2.57 -9 5 0 41.34 2.88 -9 5 0 40.71 2.19 10 -5 0 5.05 1.11 -10 -5 0 3.60 1.38 10 -5 0 5.27 1.15 10 -5 0 6.47 0.76 10 -5 0 8.28 1.41 10 -5 0 7.39 0.90 10 5 0 4.10 0.98 -10 5 0 6.04 1.05 -10 5 0 7.42 1.53 -10 5 0 4.49 1.16 11 -5 0 26.89 1.99 -11 -5 0 27.32 3.25 11 5 0 23.19 2.16 -11 5 0 25.16 2.84 -11 5 0 24.35 1.79 -12 -5 0 77.39 5.05 12 -5 0 84.65 3.87 12 5 0 84.38 3.99 -12 5 0 82.33 3.52 -12 5 0 75.62 4.71 -13 -5 0 6.98 2.19 13 -5 0 5.70 1.33 -13 5 0 5.40 1.74 13 5 0 4.01 1.20 14 -5 0 78.72 3.93 -14 -5 0 71.37 5.18 14 5 0 74.86 4.01 -14 5 0 66.72 4.84 -15 -5 0 -3.04 1.43 15 -5 0 0.82 0.99 15 5 0 0.15 1.11 -15 5 0 -2.14 1.40 -16 -5 0 -0.84 1.55 16 -5 0 0.08 1.15 -16 5 0 0.45 1.59 0 -6 0 136.42 4.57 0 -6 0 133.53 3.93 0 -6 0 137.07 4.22 0 -6 0 138.21 4.14 0 -6 0 129.26 4.13 0 -6 0 124.64 4.08 0 6 0 137.41 4.11 0 6 0 137.41 4.17 0 6 0 136.42 4.63 0 6 0 130.46 4.15 -1 -6 0 285.93 8.73 1 -6 0 299.28 8.91 -1 -6 0 306.91 9.32 1 -6 0 291.99 8.68 -1 -6 0 294.82 8.74 1 -6 0 295.44 9.39 -1 -6 0 297.68 9.31 -1 -6 0 288.99 8.69 -1 -6 0 290.05 8.69 1 -6 0 290.13 8.80 -1 6 0 296.83 8.82 1 6 0 287.04 8.70 -1 6 0 315.71 8.73 1 6 0 293.09 8.71 -1 6 0 304.43 9.49 1 6 0 297.69 9.39 1 6 0 308.99 9.25 -2 -6 0 23.42 0.94 2 -6 0 23.14 1.18 -2 -6 0 24.31 0.92 2 -6 0 25.69 1.12 2 -6 0 24.16 1.07 2 -6 0 25.14 1.34 -2 -6 0 26.61 1.23 -2 -6 0 24.12 1.12 2 -6 0 26.39 1.02 -2 -6 0 24.43 1.31 -2 6 0 24.89 1.09 -2 6 0 26.82 1.06 2 6 0 26.15 1.30 2 6 0 27.75 1.29 -2 6 0 22.37 1.35 -2 6 0 26.22 1.12 2 6 0 24.08 1.14 2 6 0 25.39 0.93 -2 6 0 24.55 1.24 2 6 0 26.26 1.00 -3 -6 0 103.53 3.45 3 -6 0 95.71 3.35 -3 -6 0 100.77 3.24 -3 -6 0 98.47 3.16 3 -6 0 98.91 3.37 -3 -6 0 100.31 3.35 3 -6 0 101.56 3.70 3 -6 0 103.54 3.50 3 -6 0 103.81 3.58 -3 -6 0 104.35 3.91 3 6 0 103.64 3.78 3 6 0 98.74 3.53 3 6 0 98.63 3.27 -3 6 0 100.00 3.35 -3 6 0 102.59 3.78 -3 6 0 102.35 3.55 3 6 0 94.60 3.37 -3 6 0 102.18 3.40 3 6 0 98.38 3.15 -3 6 0 102.91 3.66 -4 -6 0 31.29 1.87 -4 -6 0 30.32 1.22 -4 -6 0 31.19 1.44 4 -6 0 29.20 1.57 4 -6 0 32.70 1.44 4 -6 0 31.76 1.63 4 -6 0 31.54 1.54 -4 -6 0 32.02 1.32 -4 -6 0 30.51 1.33 4 -6 0 30.01 1.49 4 6 0 31.48 1.34 -4 6 0 31.58 1.45 4 6 0 32.84 1.80 -4 6 0 31.83 1.46 4 6 0 30.68 1.22 -4 6 0 32.73 1.66 -4 6 0 29.07 1.68 4 6 0 27.12 1.42 4 6 0 30.95 1.43 -4 6 0 31.38 1.70 5 -6 0 573.50 17.84 -5 -6 0 558.47 18.34 5 -6 0 567.50 17.23 5 -6 0 576.17 16.70 -5 -6 0 554.34 16.81 5 -6 0 565.98 16.53 -5 -6 0 555.48 16.62 5 -6 0 563.42 16.87 -5 -6 0 557.59 16.93 5 -6 0 594.54 17.49 5 6 0 551.41 16.61 -5 6 0 554.76 17.61 5 6 0 580.32 17.00 5 6 0 552.48 16.61 -5 6 0 574.57 17.39 5 6 0 562.49 17.13 -5 6 0 564.85 16.92 -5 6 0 570.10 17.99 6 -6 0 50.38 2.28 -6 -6 0 47.59 2.12 6 -6 0 50.02 2.47 6 -6 0 51.12 2.35 -6 -6 0 49.31 1.60 -6 -6 0 49.96 1.59 6 -6 0 48.47 2.19 6 -6 0 50.26 2.45 -6 -6 0 54.83 2.95 6 -6 0 51.06 2.07 6 -6 0 49.49 2.13 -6 -6 0 50.35 1.96 -6 -6 0 50.51 1.70 -6 6 0 46.99 2.51 6 6 0 52.49 1.98 -6 6 0 51.84 2.23 -6 6 0 47.71 2.38 6 6 0 50.89 2.29 6 6 0 45.75 2.17 -6 6 0 45.12 2.54 -7 -6 0 17.74 1.21 7 -6 0 17.32 1.10 7 -6 0 15.68 1.12 7 -6 0 17.77 1.27 7 -6 0 14.46 1.42 -7 -6 0 13.94 1.81 -7 -6 0 15.45 0.98 7 -6 0 17.16 1.27 7 -6 0 14.52 1.47 -7 6 0 15.41 1.47 -7 6 0 15.59 1.16 7 6 0 17.63 1.30 -7 6 0 17.37 1.69 7 6 0 15.51 1.00 -7 6 0 15.59 1.72 7 6 0 15.11 1.35 -8 -6 0 12.68 0.96 -8 -6 0 13.67 1.95 8 -6 0 10.18 1.19 8 -6 0 12.48 1.45 8 -6 0 13.07 0.98 8 -6 0 10.69 1.32 8 -6 0 13.92 1.28 8 -6 0 10.13 1.06 -8 6 0 12.24 1.57 -8 6 0 15.31 1.83 8 6 0 10.97 1.25 -8 6 0 13.49 1.28 -8 6 0 12.08 1.34 9 -6 0 84.49 3.57 9 -6 0 89.95 3.18 -9 -6 0 83.90 4.57 9 -6 0 87.88 3.40 9 -6 0 85.48 3.76 9 -6 0 85.83 3.93 -9 6 0 74.82 4.16 -9 6 0 80.87 3.60 -9 6 0 82.76 4.14 9 6 0 75.72 3.47 10 -6 0 93.96 3.94 10 -6 0 91.01 4.07 10 -6 0 95.40 4.35 -10 -6 0 86.66 5.01 10 6 0 88.60 3.90 -10 6 0 87.29 4.53 -10 6 0 99.70 4.04 -10 6 0 90.37 4.71 -11 -6 0 129.46 6.68 11 -6 0 135.94 5.25 -11 6 0 130.86 5.14 11 6 0 124.83 5.17 -11 6 0 134.12 6.33 -12 -6 0 21.52 3.05 12 -6 0 23.42 2.16 12 6 0 19.88 2.06 -12 6 0 24.76 1.91 -12 6 0 18.20 2.60 13 -6 0 -0.10 0.89 -13 -6 0 2.17 1.75 13 6 0 2.00 1.03 -13 6 0 2.51 1.39 14 -6 0 36.42 2.68 -14 -6 0 28.97 3.81 -14 6 0 36.48 3.95 14 6 0 39.84 2.78 -15 -6 0 57.39 5.62 15 -6 0 59.46 3.59 15 6 0 69.76 3.85 -15 6 0 67.87 5.08 0 -7 0 0.43 0.12 0 -7 0 0.37 0.24 0 -7 0 0.43 0.18 0 -7 0 0.38 0.37 0 -7 0 0.30 0.18 0 -7 0 0.16 0.14 0 7 0 0.16 0.16 0 7 0 0.13 0.23 0 7 0 0.20 0.36 0 7 0 0.31 0.16 -1 -7 0 100.25 3.09 1 -7 0 101.50 3.66 1 -7 0 94.99 3.20 -1 -7 0 97.63 3.27 -1 -7 0 105.22 3.61 1 -7 0 100.40 3.29 -1 -7 0 95.25 3.07 -1 -7 0 99.85 3.07 -1 -7 0 99.93 3.42 -1 -7 0 97.58 3.26 1 -7 0 101.08 3.20 -1 7 0 95.66 3.70 1 7 0 99.87 3.10 1 7 0 96.51 3.63 1 7 0 98.75 3.32 -1 7 0 97.34 3.22 -1 7 0 99.87 3.20 1 7 0 96.91 3.10 -2 -7 0 88.90 2.94 2 -7 0 87.81 3.05 2 -7 0 82.01 2.88 -2 -7 0 87.89 3.25 -2 -7 0 84.87 2.71 2 -7 0 92.40 3.34 -2 -7 0 84.28 2.69 2 -7 0 89.07 2.91 -2 -7 0 81.74 3.10 2 -7 0 85.20 2.79 2 7 0 85.43 2.96 -2 7 0 83.52 3.36 2 7 0 85.40 2.76 -2 7 0 85.73 2.79 -2 7 0 86.04 2.91 -2 7 0 84.25 2.89 2 7 0 86.76 3.25 -2 7 0 85.19 3.09 -2 7 0 76.68 3.36 2 7 0 88.63 2.71 2 7 0 90.82 3.16 3 -7 0 67.26 2.41 3 -7 0 65.13 2.74 3 -7 0 69.87 2.43 -3 -7 0 64.97 2.49 -3 -7 0 63.86 2.82 -3 -7 0 65.40 2.41 3 -7 0 65.42 2.42 3 -7 0 61.51 2.55 -3 -7 0 64.86 2.17 -3 -7 0 66.21 2.22 3 7 0 69.64 2.75 3 7 0 66.58 2.62 3 7 0 62.15 2.42 -3 7 0 67.83 2.48 3 7 0 68.26 2.29 -3 7 0 65.44 2.84 -3 7 0 65.17 2.39 -3 7 0 67.17 2.43 -3 7 0 65.68 2.66 3 7 0 64.97 2.16 4 -7 0 2.07 0.43 4 -7 0 2.72 0.55 -4 -7 0 2.27 0.70 4 -7 0 2.47 0.57 4 -7 0 3.36 0.61 -4 -7 0 2.80 0.41 -4 -7 0 3.17 0.37 4 -7 0 3.09 0.69 4 7 0 3.11 0.36 4 7 0 2.81 0.59 4 7 0 3.63 0.78 -4 7 0 2.17 0.45 -4 7 0 2.78 0.60 4 7 0 2.65 0.56 -4 7 0 2.43 0.62 4 7 0 2.94 0.43 -4 7 0 1.95 0.65 5 -7 0 17.02 1.44 -5 -7 0 15.79 1.66 5 -7 0 14.05 1.07 -5 -7 0 16.42 0.87 5 -7 0 17.38 1.22 5 -7 0 16.10 1.17 -5 -7 0 17.32 0.93 5 -7 0 15.52 1.02 -5 -7 0 16.05 0.97 5 -7 0 17.64 1.31 -5 7 0 16.72 1.57 5 7 0 15.99 1.08 5 7 0 14.31 0.94 5 7 0 15.95 1.04 -5 7 0 16.15 1.29 5 7 0 17.51 0.88 5 7 0 15.72 1.14 -5 7 0 15.30 1.42 -5 7 0 16.94 1.11 6 -7 0 81.86 3.37 6 -7 0 76.00 2.99 6 -7 0 76.16 3.01 6 -7 0 78.30 2.94 -6 -7 0 78.24 2.65 6 -7 0 71.18 3.12 6 -7 0 81.33 3.24 -6 -7 0 75.79 2.48 6 -7 0 76.49 3.27 -6 -7 0 75.82 2.95 -6 -7 0 80.99 3.85 -6 -7 0 76.04 2.75 6 7 0 83.26 2.85 6 7 0 80.48 3.13 6 7 0 76.56 2.76 6 7 0 81.96 3.12 -6 7 0 75.12 3.44 -6 7 0 78.54 3.36 -6 7 0 74.67 3.02 -6 7 0 80.01 3.49 -7 -7 0 131.17 3.88 -7 -7 0 131.62 3.88 7 -7 0 125.79 4.62 -7 -7 0 122.88 4.59 7 -7 0 133.31 5.07 -7 -7 0 121.90 5.63 -7 -7 0 132.36 4.39 7 -7 0 135.23 4.69 7 -7 0 131.02 4.81 -7 -7 0 130.89 4.05 -7 7 0 133.45 5.29 -7 7 0 128.39 5.30 7 7 0 129.03 4.39 7 7 0 135.54 4.84 -7 7 0 132.46 4.72 -7 7 0 129.81 5.02 7 7 0 135.32 4.75 -8 -7 0 76.18 4.13 8 -7 0 64.48 3.23 8 -7 0 78.91 3.57 8 -7 0 78.46 3.17 8 -7 0 74.48 3.19 -8 7 0 80.72 3.26 -8 7 0 75.57 3.81 -8 7 0 79.28 3.46 -8 7 0 82.96 3.88 8 7 0 72.22 3.21 9 -7 0 75.84 3.31 9 -7 0 72.77 3.46 -9 -7 0 70.20 4.21 9 -7 0 77.98 3.69 9 7 0 73.28 3.31 -9 7 0 79.47 3.95 -9 7 0 72.45 3.95 -9 7 0 72.92 3.43 10 -7 0 1.66 0.82 10 -7 0 1.79 0.89 10 -7 0 0.67 0.68 -10 -7 0 0.85 1.11 -10 7 0 3.24 1.28 10 7 0 1.44 0.79 -10 7 0 1.69 0.84 11 -7 0 31.05 2.33 -11 -7 0 29.00 3.36 11 -7 0 29.93 2.16 11 7 0 33.88 2.28 -11 7 0 32.30 3.17 -11 7 0 30.46 2.17 -12 -7 0 15.55 2.63 12 -7 0 14.18 1.74 -12 7 0 12.27 2.28 12 7 0 12.42 1.67 -12 7 0 14.92 1.77 -13 -7 0 136.79 7.38 13 -7 0 128.10 5.52 -13 7 0 138.85 6.99 13 7 0 137.18 5.68 -14 -7 0 36.58 4.25 14 -7 0 29.76 2.73 14 7 0 39.94 2.81 -14 7 0 32.83 3.80 -15 -7 0 -1.14 1.69 15 -7 0 -0.21 1.06 15 7 0 -0.14 0.90 -15 7 0 1.27 1.68 0 -8 0 696.33 20.11 0 -8 0 696.79 20.16 0 -8 0 675.70 19.85 0 -8 0 692.09 21.16 0 -8 0 676.02 20.98 0 -8 0 697.80 19.82 0 8 0 676.46 21.30 0 8 0 692.72 20.12 0 8 0 696.19 19.90 0 8 0 708.94 20.22 -1 -8 0 8.79 0.51 -1 -8 0 8.95 0.76 1 -8 0 7.91 0.69 1 -8 0 6.75 0.52 -1 -8 0 9.01 0.95 -1 -8 0 8.64 0.75 -1 -8 0 7.68 0.48 -1 -8 0 8.18 0.49 1 -8 0 10.90 1.07 -1 -8 0 8.91 0.70 1 -8 0 8.25 0.62 -1 8 0 10.17 0.70 1 8 0 7.61 0.97 1 8 0 9.24 0.59 1 8 0 8.79 0.51 -1 8 0 7.28 0.97 1 8 0 8.70 0.53 -1 8 0 9.21 0.59 -2 -8 0 2.35 0.44 -2 -8 0 1.19 0.24 -2 -8 0 1.98 0.54 2 -8 0 2.10 0.44 -2 -8 0 1.84 0.46 -2 -8 0 1.63 0.24 2 -8 0 1.27 0.51 2 -8 0 2.11 0.42 -2 -8 0 1.52 0.45 2 -8 0 1.87 0.23 2 -8 0 1.98 0.35 2 8 0 2.54 0.58 2 8 0 2.11 0.30 -2 8 0 1.68 0.34 -2 8 0 1.95 0.45 -2 8 0 1.78 0.61 2 8 0 1.37 0.41 -2 8 0 1.97 0.41 -2 8 0 1.89 0.36 -2 8 0 1.58 0.21 2 8 0 1.66 0.26 2 8 0 1.81 0.44 -3 -8 0 3.77 0.78 3 -8 0 3.93 0.59 3 -8 0 4.42 0.80 3 -8 0 4.36 0.60 -3 -8 0 4.48 0.40 -3 -8 0 4.41 0.62 3 -8 0 4.13 0.54 3 -8 0 4.19 0.49 -3 -8 0 3.71 0.39 -3 -8 0 5.10 0.69 3 8 0 5.99 0.54 -3 8 0 4.91 0.58 -3 8 0 4.71 0.71 -3 8 0 4.98 0.59 3 8 0 5.72 0.79 3 8 0 4.62 0.73 -3 8 0 3.49 0.55 3 8 0 4.44 0.39 -3 8 0 3.75 0.83 3 8 0 3.88 0.61 -4 -8 0 203.80 6.21 -4 -8 0 191.33 7.17 4 -8 0 213.31 6.97 4 -8 0 199.73 6.68 -4 -8 0 197.61 6.52 -4 -8 0 197.36 6.12 4 -8 0 200.28 6.42 4 -8 0 193.21 6.36 4 -8 0 203.89 6.62 4 8 0 204.50 6.11 4 8 0 205.57 6.28 -4 8 0 207.84 6.84 4 8 0 194.99 6.70 -4 8 0 199.12 6.44 4 8 0 205.03 7.04 -4 8 0 200.38 6.74 -4 8 0 200.69 7.05 4 8 0 199.44 6.41 5 -8 0 8.84 0.87 5 -8 0 9.61 1.09 -5 -8 0 9.03 0.63 -5 -8 0 8.27 0.74 -5 -8 0 6.68 1.18 -5 -8 0 8.54 0.80 5 -8 0 7.47 0.94 5 -8 0 8.01 0.93 -5 8 0 10.72 0.99 5 8 0 7.89 0.93 5 8 0 7.28 0.58 5 8 0 9.39 0.73 -5 8 0 8.23 1.05 5 8 0 5.66 0.82 -5 8 0 10.52 1.33 -5 8 0 6.04 0.97 6 -8 0 280.79 9.03 6 -8 0 289.44 9.43 -6 -8 0 287.77 8.83 6 -8 0 277.76 9.00 -6 -8 0 282.39 8.68 -6 -8 0 284.90 8.89 6 -8 0 289.19 9.52 6 -8 0 282.74 8.88 -6 -8 0 288.41 8.44 -6 -8 0 275.86 10.18 6 8 0 282.39 8.68 6 8 0 278.15 8.97 6 8 0 285.38 9.10 -6 8 0 279.96 9.65 6 8 0 282.85 9.05 -6 8 0 293.33 9.77 -6 8 0 278.59 9.58 -6 8 0 297.35 9.11 -7 -8 0 1.18 0.26 7 -8 0 0.93 0.57 -7 -8 0 1.05 0.83 7 -8 0 0.83 0.65 -7 -8 0 0.52 0.29 7 -8 0 0.64 0.55 -7 -8 0 0.55 0.25 -7 -8 0 0.68 0.34 7 -8 0 0.88 0.45 7 8 0 0.60 0.39 -7 8 0 1.36 0.76 -7 8 0 1.75 0.71 -7 8 0 0.68 0.42 7 8 0 1.44 0.53 7 8 0 1.11 0.36 7 8 0 0.88 0.57 -7 8 0 0.24 0.75 8 -8 0 13.79 1.39 8 -8 0 12.89 1.26 -8 -8 0 13.49 1.96 8 -8 0 16.23 1.62 8 -8 0 13.58 1.57 -8 8 0 15.36 1.78 -8 8 0 19.39 2.00 -8 8 0 15.91 1.70 8 8 0 14.17 1.43 -8 8 0 15.42 1.40 9 -8 0 1.04 0.66 9 -8 0 -0.60 0.63 9 -8 0 1.00 0.71 -9 -8 0 0.63 1.14 -9 8 0 -0.31 0.63 -9 8 0 0.01 0.84 9 8 0 0.39 0.63 -10 -8 0 90.89 5.34 10 -8 0 107.17 4.32 10 -8 0 100.59 4.45 -10 8 0 103.48 4.53 -10 8 0 107.53 5.18 10 8 0 102.76 4.32 11 -8 0 0.18 0.88 -11 -8 0 0.67 1.22 11 -8 0 -0.54 0.88 -11 8 0 -0.75 1.02 11 8 0 0.03 0.73 -11 8 0 1.93 0.95 12 -8 0 97.81 4.25 -12 -8 0 88.80 5.52 12 -8 0 93.86 4.40 12 8 0 81.88 4.11 -12 8 0 81.67 5.01 -12 8 0 93.61 4.26 13 -8 0 -0.07 0.87 -13 -8 0 0.08 1.37 -13 8 0 0.22 1.37 13 8 0 -0.17 0.86 -14 -8 0 90.98 5.97 14 -8 0 90.58 4.41 14 8 0 88.19 4.46 -14 8 0 92.23 5.54 -15 -8 0 1.09 1.92 15 -8 0 3.77 1.29 -15 8 0 1.31 1.61 15 8 0 3.35 1.26 0 -9 0 -0.07 0.17 0 -9 0 0.18 0.22 0 -9 0 0.10 0.14 0 -9 0 0.72 0.34 0 -9 0 0.86 0.47 0 -9 0 0.19 0.21 0 9 0 -0.05 0.18 0 9 0 0.20 0.19 0 9 0 0.33 0.49 0 9 0 -0.30 0.26 -1 -9 0 144.79 4.54 -1 -9 0 154.74 5.24 -1 -9 0 149.22 4.48 1 -9 0 144.57 5.26 1 -9 0 148.62 4.66 -1 -9 0 151.01 4.77 1 -9 0 148.45 4.76 1 -9 0 143.65 4.68 -1 -9 0 148.57 4.95 -1 -9 0 140.71 4.72 -1 -9 0 151.86 4.57 -1 9 0 151.24 4.75 1 9 0 146.32 4.56 -1 9 0 145.70 4.68 -1 9 0 139.56 5.36 -1 9 0 147.06 4.82 1 9 0 147.53 4.60 1 9 0 144.52 5.32 -2 -9 0 3.67 0.67 -2 -9 0 3.35 0.34 2 -9 0 2.90 0.48 2 -9 0 3.03 0.71 -2 -9 0 2.90 0.61 2 -9 0 3.12 0.45 -2 -9 0 3.12 0.35 -2 -9 0 3.21 0.55 2 -9 0 3.32 0.53 -2 -9 0 2.82 0.54 -2 9 0 2.87 0.79 2 9 0 4.13 0.63 -2 9 0 2.65 0.49 2 9 0 2.93 0.68 2 9 0 2.50 0.51 -2 9 0 3.92 0.60 2 9 0 2.59 0.34 -2 9 0 2.94 0.43 2 9 0 2.88 0.37 3 -9 0 138.01 4.54 -3 -9 0 139.10 5.12 3 -9 0 145.95 4.79 -3 -9 0 134.88 4.80 3 -9 0 135.86 4.54 -3 -9 0 136.50 4.28 -3 -9 0 132.90 4.25 3 -9 0 140.68 4.45 -3 9 0 139.73 5.23 3 9 0 139.30 5.00 3 9 0 143.29 4.39 -3 9 0 135.91 4.84 3 9 0 136.11 4.26 -3 9 0 135.52 4.56 3 9 0 135.11 4.92 3 9 0 131.74 4.61 -3 9 0 137.41 4.50 4 -9 0 2.22 0.58 4 -9 0 1.64 0.44 -4 -9 0 2.35 0.59 -4 -9 0 1.61 0.30 -4 -9 0 2.10 0.78 4 -9 0 2.38 0.48 -4 -9 0 1.42 0.32 4 -9 0 1.89 0.53 4 9 0 1.69 0.66 -4 9 0 1.99 0.44 -4 9 0 1.89 0.55 4 9 0 2.59 0.70 -4 9 0 2.43 0.87 4 9 0 1.86 0.37 4 9 0 1.96 0.55 4 9 0 2.36 0.33 -4 9 0 2.03 0.60 -5 -9 0 1.95 0.41 5 -9 0 3.02 0.68 -5 -9 0 1.86 0.35 -5 -9 0 2.70 0.92 5 -9 0 2.24 0.70 -5 -9 0 1.59 0.51 5 -9 0 1.99 0.55 5 -9 0 1.38 0.47 5 9 0 2.33 0.64 5 9 0 2.60 0.38 5 9 0 2.51 0.64 5 9 0 2.61 0.47 -5 9 0 1.34 0.82 -5 9 0 2.54 0.55 -5 9 0 2.14 0.69 -5 9 0 0.98 0.61 6 -9 0 2.80 0.69 -6 -9 0 6.77 0.73 6 -9 0 4.99 0.73 6 -9 0 5.33 0.86 6 -9 0 2.97 0.72 -6 -9 0 6.50 0.70 6 -9 0 4.10 0.81 -6 -9 0 6.24 0.58 -6 -9 0 5.74 1.17 -6 -9 0 4.67 0.54 6 9 0 4.78 0.72 6 9 0 3.80 0.76 6 9 0 5.72 0.85 -6 9 0 4.83 0.93 -6 9 0 4.71 0.92 -6 9 0 3.93 0.96 6 9 0 4.45 0.54 -6 9 0 3.85 0.66 -7 -9 0 287.65 8.63 7 -9 0 285.14 9.20 -7 -9 0 295.40 9.02 7 -9 0 292.92 9.44 -7 -9 0 293.71 8.98 7 -9 0 308.38 9.87 7 -9 0 294.27 9.36 -7 -9 0 280.43 10.65 7 9 0 286.42 9.28 -7 9 0 302.20 9.47 -7 9 0 279.43 10.12 -7 9 0 295.29 10.08 -7 9 0 292.58 10.07 7 9 0 285.37 9.33 8 -9 0 0.49 0.59 -8 -9 0 1.15 0.99 8 -9 0 0.31 0.46 8 -9 0 0.13 0.60 8 -9 0 1.04 0.63 -8 -9 0 0.53 0.27 -8 -9 0 0.24 0.21 -8 -9 0 0.09 0.22 -8 9 0 -0.43 0.76 -8 9 0 0.95 0.59 8 9 0 -0.16 0.54 -8 9 0 1.35 0.77 9 -9 0 79.53 3.51 9 -9 0 79.21 3.73 -9 -9 0 83.12 4.61 -9 9 0 77.29 3.77 9 9 0 81.08 3.56 -9 9 0 75.95 4.06 -10 -9 0 1.50 1.24 10 -9 0 0.93 0.88 10 -9 0 1.19 0.80 10 9 0 1.16 0.81 -10 9 0 0.93 1.06 -10 9 0 1.73 0.94 11 -9 0 0.87 0.94 11 -9 0 0.19 0.99 -11 -9 0 -0.81 1.18 -11 9 0 0.85 0.99 11 9 0 0.21 0.88 -11 9 0 2.26 1.29 12 -9 0 4.01 1.26 12 -9 0 2.43 1.04 -12 -9 0 7.80 2.09 -12 9 0 2.30 1.14 -12 9 0 5.06 1.66 12 9 0 3.02 1.11 13 -9 0 211.32 7.53 -13 -9 0 185.66 9.23 -13 9 0 204.44 8.87 13 9 0 184.70 7.45 14 -9 0 2.38 1.19 -14 -9 0 3.21 2.14 -14 9 0 5.75 2.10 14 9 0 4.91 1.35 -15 -9 0 0.47 1.64 15 -9 0 2.05 1.18 15 9 0 1.32 1.07 -15 9 0 0.55 1.69 0 -10 0 202.71 6.39 0 -10 0 198.05 6.22 0 -10 0 200.57 6.97 0 -10 0 200.25 6.32 0 -10 0 203.46 6.28 0 -10 0 207.11 5.94 0 10 0 211.19 6.45 0 10 0 201.31 7.16 0 10 0 202.82 6.25 0 10 0 199.38 6.34 1 -10 0 64.92 2.46 1 -10 0 63.91 2.35 -1 -10 0 66.61 2.19 -1 -10 0 68.19 2.89 -1 -10 0 65.12 2.26 -1 -10 0 67.92 2.27 1 -10 0 68.19 2.47 -1 -10 0 65.44 2.53 -1 -10 0 61.65 2.48 1 10 0 63.74 3.01 -1 10 0 67.73 2.54 -1 10 0 69.03 2.41 -1 10 0 69.78 3.11 1 10 0 64.71 2.31 1 10 0 64.50 2.27 -2 -10 0 1.39 0.62 -2 -10 0 1.46 0.54 -2 -10 0 0.78 0.23 2 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2.19 1 -11 0 55.49 2.20 -1 -11 0 54.05 1.99 1 -11 0 60.26 2.14 -1 -11 0 57.88 2.03 -1 -11 0 62.58 2.32 -1 -11 0 55.66 2.27 -1 -11 0 55.85 1.91 -1 11 0 53.34 2.82 1 11 0 56.91 2.10 1 11 0 56.96 2.03 -1 11 0 53.48 2.12 1 11 0 56.81 2.79 -1 11 0 51.76 2.24 -2 -11 0 129.43 4.51 -2 -11 0 132.21 4.14 2 -11 0 127.35 4.35 -2 -11 0 131.65 4.18 -2 -11 0 130.62 4.76 -2 -11 0 131.62 4.88 2 -11 0 124.96 4.37 2 -11 0 131.89 4.52 -2 -11 0 132.50 4.13 -2 11 0 136.22 5.29 2 11 0 132.09 4.19 -2 11 0 135.10 4.41 2 11 0 134.13 5.09 2 11 0 129.29 4.18 -3 -11 0 142.68 4.52 -3 -11 0 144.52 4.50 3 -11 0 149.07 5.05 -3 -11 0 146.83 4.99 -3 -11 0 137.16 5.34 3 -11 0 141.49 4.82 -3 -11 0 141.81 5.20 3 -11 0 144.97 4.82 -3 -11 0 145.20 4.70 -3 11 0 148.22 5.38 -3 11 0 152.23 5.21 -3 11 0 138.57 4.83 3 11 0 146.32 5.15 -3 11 0 145.33 4.24 3 11 0 144.58 4.53 3 11 0 150.94 4.64 3 11 0 141.36 4.94 3 11 0 138.63 5.38 -3 11 0 137.08 5.61 -4 -11 0 252.22 9.01 4 -11 0 252.58 8.09 4 -11 0 262.32 8.44 -4 -11 0 259.23 7.80 -4 -11 0 251.08 7.76 4 -11 0 266.31 8.18 4 -11 0 264.59 8.14 -4 -11 0 267.08 8.53 -4 11 0 257.69 8.21 -4 11 0 258.38 8.61 -4 11 0 223.10 9.79 -4 11 0 278.68 9.24 4 11 0 259.00 7.78 4 11 0 260.67 7.95 4 11 0 246.39 8.17 -4 11 0 254.16 8.19 4 11 0 257.05 8.76 4 11 0 269.54 8.85 -5 -11 0 60.11 2.46 5 -11 0 58.51 2.52 5 -11 0 54.84 2.28 -5 -11 0 59.05 3.10 -5 -11 0 58.20 2.12 -5 -11 0 51.85 2.03 5 -11 0 59.90 2.72 5 -11 0 52.81 2.34 5 11 0 53.32 2.51 5 11 0 56.16 2.72 5 11 0 52.26 2.02 5 11 0 57.64 2.24 -5 11 0 55.69 3.02 -5 11 0 58.73 2.49 -5 11 0 55.15 2.78 -5 11 0 52.97 2.42 -6 -11 0 71.21 3.71 6 -11 0 71.73 2.96 6 -11 0 71.45 3.26 -6 -11 0 74.60 2.64 -6 -11 0 70.37 2.85 6 -11 0 72.79 3.10 -6 -11 0 69.06 2.56 6 -11 0 69.21 2.91 -6 11 0 67.34 3.39 -6 11 0 73.85 3.05 6 11 0 73.30 2.82 6 11 0 72.94 3.15 -6 11 0 72.55 3.17 6 11 0 68.30 3.03 -6 11 0 72.34 3.57 6 11 0 70.46 2.55 -7 -11 0 45.80 1.80 -7 -11 0 46.15 1.91 7 -11 0 39.78 2.18 7 -11 0 46.55 2.59 7 -11 0 44.16 2.39 7 -11 0 45.39 2.24 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149.54 5.20 7 -12 0 28.74 1.97 7 -12 0 27.50 1.83 -7 -12 0 28.75 2.77 -7 -12 0 28.15 1.56 -7 -12 0 32.06 1.44 7 -12 0 26.70 1.71 7 -12 0 30.18 1.73 7 12 0 26.40 1.83 -7 12 0 27.79 1.76 -7 12 0 32.36 2.42 -7 12 0 28.99 2.00 7 12 0 27.70 1.81 8 -12 0 -0.17 0.49 -8 -12 0 0.40 0.47 8 -12 0 0.54 0.90 -8 -12 0 0.07 0.38 8 -12 0 -1.23 0.70 -8 -12 0 0.57 1.10 8 12 0 0.38 0.60 -8 12 0 0.82 0.62 8 12 0 -0.26 0.67 -8 12 0 -0.44 0.83 -8 12 0 -0.19 0.81 9 -12 0 46.18 2.68 -9 -12 0 41.33 1.56 -9 -12 0 34.54 3.48 9 -12 0 44.01 2.52 -9 12 0 38.55 2.81 -9 12 0 38.04 2.72 9 12 0 42.07 2.51 10 -12 0 13.10 1.74 -10 -12 0 11.50 2.24 10 -12 0 14.52 1.65 -10 12 0 13.75 2.09 -10 12 0 13.37 1.96 10 12 0 11.02 1.57 -11 -12 0 56.86 4.32 11 -12 0 61.17 3.47 11 -12 0 65.80 3.34 11 12 0 58.91 3.40 -11 12 0 61.03 3.91 -11 12 0 65.36 3.87 12 -12 0 5.39 1.43 -12 -12 0 1.91 1.51 12 -12 0 3.15 1.14 -12 12 0 5.00 1.75 12 12 0 2.84 1.18 -12 12 0 6.05 1.58 13 -12 0 3.70 1.45 13 -12 0 4.15 1.38 -13 -12 0 3.43 1.81 -13 12 0 0.88 1.42 -13 12 0 4.76 1.54 13 12 0 2.80 1.22 14 -12 0 2.31 1.24 14 -12 0 4.19 1.35 -14 -12 0 -0.23 1.56 14 12 0 1.15 1.08 -14 12 0 1.19 1.69 0 -13 0 0.27 0.19 0 -13 0 0.39 0.26 0 -13 0 -0.04 0.26 0 -13 0 0.57 0.31 0 -13 0 0.08 0.41 0 13 0 -0.15 0.23 0 13 0 0.08 0.67 0 13 0 0.22 0.29 1 -13 0 0.80 0.31 -1 -13 0 0.14 0.26 1 -13 0 0.93 0.46 -1 -13 0 0.35 0.26 -1 -13 0 0.71 0.46 -1 -13 0 0.49 0.44 -1 -13 0 0.69 0.26 1 -13 0 0.78 0.37 1 13 0 0.09 0.76 1 13 0 0.83 0.32 -1 13 0 0.79 0.40 1 13 0 0.58 0.27 -1 13 0 0.72 0.73 -1 13 0 0.58 0.32 -2 -13 0 103.49 4.08 2 -13 0 100.28 3.71 2 -13 0 96.96 3.78 -2 -13 0 111.64 3.54 -2 -13 0 114.99 3.57 -2 -13 0 110.41 3.95 -2 -13 0 111.24 3.55 2 -13 0 108.76 3.91 2 13 0 98.45 4.47 2 13 0 109.99 3.62 -2 13 0 108.94 3.80 2 13 0 110.00 3.60 -2 13 0 105.13 4.69 -3 -13 0 62.53 2.37 -3 -13 0 58.76 2.67 -3 -13 0 65.75 2.98 3 -13 0 63.03 2.68 3 -13 0 58.62 2.56 -3 -13 0 62.43 2.22 -3 -13 0 62.12 2.20 3 -13 0 63.42 2.52 3 13 0 63.47 2.27 3 13 0 57.76 3.05 -3 13 0 63.90 2.56 3 13 0 62.73 2.32 -3 13 0 64.61 3.38 -3 13 0 61.20 2.81 4 -13 0 153.63 5.37 -4 -13 0 147.57 4.91 -4 -13 0 160.25 4.97 4 -13 0 165.00 5.39 -4 -13 0 151.19 5.53 -4 -13 0 151.41 6.03 4 -13 0 161.56 5.62 4 13 0 156.24 6.03 4 13 0 164.63 5.14 -4 13 0 162.93 4.67 4 13 0 160.29 4.98 -4 13 0 155.46 5.39 -4 13 0 157.75 5.97 4 13 0 151.26 5.49 -4 13 0 153.42 6.31 -4 13 0 155.56 4.96 -5 -13 0 17.74 0.97 5 -13 0 17.35 1.55 -5 -13 0 19.87 1.96 5 -13 0 20.04 1.29 5 -13 0 21.02 1.51 5 13 0 19.39 1.00 -5 13 0 19.85 0.90 -5 13 0 21.94 2.19 5 13 0 19.79 1.91 -5 13 0 17.72 1.12 -5 13 0 19.36 1.33 -5 13 0 17.66 1.59 5 13 0 19.44 1.71 6 -13 0 15.92 1.56 -6 -13 0 22.55 2.32 -6 -13 0 23.93 1.54 6 -13 0 20.27 1.25 6 -13 0 20.71 1.41 -6 -13 0 19.37 1.06 -6 13 0 18.80 2.21 -6 13 0 21.48 1.06 6 13 0 21.42 1.91 -6 13 0 18.93 1.42 -6 13 0 18.03 1.36 6 13 0 18.51 1.69 7 -13 0 17.29 1.60 7 -13 0 18.46 1.42 -7 -13 0 18.72 2.34 7 -13 0 15.16 1.60 -7 -13 0 19.37 1.15 -7 -13 0 16.40 1.26 7 -13 0 16.74 1.31 7 13 0 13.08 1.53 -7 13 0 19.54 2.25 7 13 0 17.96 1.75 -7 13 0 19.80 1.75 -7 13 0 18.65 1.61 -7 13 0 20.07 1.13 8 -13 0 221.81 7.79 8 -13 0 222.22 7.58 -8 -13 0 235.75 6.97 -8 -13 0 231.45 7.34 -8 -13 0 218.80 9.05 -8 13 0 226.83 7.79 8 13 0 212.49 7.70 8 13 0 223.00 7.78 -8 13 0 225.34 8.64 -8 13 0 202.69 8.05 -9 -13 0 16.79 2.55 9 -13 0 9.92 1.52 -9 -13 0 9.84 0.76 9 -13 0 9.88 1.39 9 13 0 10.68 1.19 -9 13 0 11.40 1.79 -9 13 0 11.47 1.71 9 13 0 9.33 1.42 10 -13 0 4.34 1.11 -10 -13 0 3.97 1.60 10 -13 0 6.22 1.30 -10 13 0 2.70 1.31 -10 13 0 5.51 1.56 10 13 0 3.66 1.13 -11 -13 0 2.82 1.52 11 -13 0 1.92 1.14 11 -13 0 3.58 1.37 -11 13 0 3.29 1.51 11 13 0 2.97 1.11 -11 13 0 3.37 1.41 12 -13 0 36.70 2.60 12 -13 0 32.44 2.97 -12 -13 0 40.31 4.19 12 13 0 38.01 2.73 -12 13 0 34.42 3.41 -12 13 0 38.72 3.09 -13 -13 0 -1.03 1.26 13 -13 0 1.02 1.09 13 -13 0 1.39 1.02 -13 13 0 -1.76 1.13 13 13 0 -0.65 0.86 -13 13 0 -1.87 1.41 14 -13 0 25.84 2.61 14 -13 0 24.65 2.71 -14 -13 0 21.28 3.45 14 13 0 24.57 2.72 0 -14 0 12.75 0.86 0 -14 0 12.99 0.77 0 -14 0 13.70 0.91 0 -14 0 17.48 1.38 0 14 0 15.42 1.81 0 14 0 13.93 0.90 0 14 0 15.61 1.06 1 -14 0 345.57 10.49 -1 -14 0 336.05 10.36 1 -14 0 347.94 10.53 -1 -14 0 342.77 10.11 -1 -14 0 338.00 10.57 1 -14 0 347.92 10.60 -1 -14 0 346.18 10.97 -1 -14 0 347.47 10.36 1 14 0 324.04 11.71 1 14 0 355.83 10.42 1 14 0 344.41 10.51 -1 14 0 352.82 11.96 -1 14 0 328.46 10.72 -1 14 0 343.67 10.52 2 -14 0 13.00 1.19 2 -14 0 13.39 0.96 2 -14 0 14.18 1.06 -2 -14 0 13.45 0.80 -2 -14 0 12.39 1.20 -2 -14 0 11.52 0.79 -2 -14 0 12.57 0.79 -2 -14 0 14.28 1.31 -2 14 0 15.06 1.02 -2 14 0 12.33 1.70 2 14 0 14.72 1.77 -2 14 0 12.70 1.23 2 14 0 13.72 0.88 2 14 0 13.41 0.84 -3 -14 0 1.80 0.36 3 -14 0 2.07 0.49 -3 -14 0 1.07 0.30 -3 -14 0 2.08 0.48 -3 -14 0 1.63 0.72 -3 -14 0 1.58 0.64 3 -14 0 1.55 0.57 3 -14 0 2.19 0.58 3 14 0 1.98 0.41 3 14 0 1.59 0.38 -3 14 0 2.67 0.55 -3 14 0 2.20 0.91 3 14 0 1.89 0.82 -4 -14 0 61.25 3.06 4 -14 0 54.53 2.53 -4 -14 0 54.94 2.07 -4 -14 0 55.97 2.67 4 -14 0 55.22 2.44 4 14 0 59.00 3.09 4 14 0 55.71 2.12 4 14 0 54.90 2.72 -4 14 0 60.25 2.54 -4 14 0 62.41 3.46 5 -14 0 136.04 4.76 -5 -14 0 135.57 4.29 -5 -14 0 131.28 5.54 5 -14 0 128.54 4.80 -5 14 0 141.66 4.88 -5 14 0 135.13 4.05 5 14 0 135.46 5.44 5 14 0 126.08 4.89 -5 14 0 128.67 5.69 -5 14 0 119.29 5.34 -5 14 0 129.79 4.38 -6 -14 0 10.28 1.67 6 -14 0 9.40 1.22 6 14 0 9.93 1.31 -6 14 0 10.26 1.72 -6 14 0 10.56 1.03 -6 14 0 10.16 0.72 6 14 0 8.12 1.37 -6 14 0 9.26 1.48 -6 14 0 8.83 1.09 7 -14 0 55.77 2.34 7 -14 0 49.73 2.73 -7 -14 0 45.93 3.29 7 14 0 45.45 2.61 -7 14 0 50.77 2.01 -7 14 0 48.94 3.28 7 14 0 49.02 2.76 -7 14 0 46.91 2.48 8 -14 0 2.09 0.92 -8 -14 0 1.58 1.27 8 -14 0 1.26 0.78 8 14 0 1.63 0.86 8 14 0 0.41 0.79 -8 14 0 1.45 1.16 -8 14 0 1.31 0.91 9 -14 0 64.98 3.18 9 -14 0 61.86 3.37 -9 -14 0 66.60 4.29 9 14 0 67.27 3.07 -9 14 0 62.18 3.85 9 14 0 62.37 3.29 -9 14 0 66.82 3.51 10 -14 0 29.76 2.61 -10 -14 0 32.36 3.63 10 -14 0 35.16 2.32 -10 14 0 34.38 2.71 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26.09 3.49 10 -22 0 27.26 2.80 10 22 0 24.13 2.72 -10 22 0 29.93 3.90 0 -23 0 0.96 0.81 0 23 0 0.56 1.26 1 -23 0 1.98 0.90 -1 -23 0 0.51 0.81 -1 23 0 4.33 1.78 1 23 0 2.06 1.59 -2 -23 0 79.61 3.87 2 -23 0 83.11 3.84 2 23 0 81.39 5.01 -2 23 0 89.61 5.25 3 -23 0 13.54 1.68 -3 -23 0 15.51 1.88 -3 23 0 19.87 2.91 3 23 0 22.47 2.97 -4 -23 0 13.73 1.76 4 -23 0 12.18 1.61 -4 23 0 16.55 2.71 4 23 0 12.40 2.33 -5 -23 0 4.57 1.36 -5 -23 0 7.89 1.43 5 -23 0 7.63 1.36 5 23 0 5.94 1.86 -5 23 0 8.87 2.22 6 -23 0 6.33 1.34 -6 -23 0 10.14 1.85 -6 -23 0 6.07 1.36 6 23 0 8.58 2.09 -6 23 0 7.44 2.26 7 -23 0 5.81 1.37 -7 -23 0 5.51 1.62 -7 -23 0 3.40 1.23 -7 23 0 7.65 2.33 7 23 0 4.67 1.72 8 -23 0 43.69 2.98 -8 -23 0 34.39 3.12 -8 -23 0 44.46 4.03 -8 23 0 44.55 4.56 9 -23 0 10.89 1.74 9 -23 0 9.83 1.81 -9 -23 0 14.04 2.53 -9 -23 0 14.97 2.16 -9 23 0 14.94 3.05 -10 -23 0 1.23 1.61 10 -23 0 -1.23 1.02 10 -23 0 0.67 1.03 -10 -23 0 1.27 1.24 -10 23 0 3.50 2.05 10 23 0 0.00 1.03 0 -24 0 70.28 3.47 0 24 0 71.22 4.90 -1 -24 0 15.05 1.77 1 -24 0 13.02 1.73 1 24 0 13.54 2.51 -1 24 0 13.41 2.65 2 -24 0 6.09 1.32 -2 -24 0 7.56 1.35 -2 24 0 7.22 2.01 2 24 0 9.98 2.26 -3 -24 0 7.32 1.47 3 -24 0 5.83 1.32 -3 24 0 8.26 2.14 3 24 0 9.15 2.28 4 -24 0 27.93 2.49 -4 -24 0 33.55 2.42 -4 24 0 30.46 3.71 4 24 0 33.44 3.75 5 -24 0 15.69 1.89 -5 -24 0 17.66 2.10 -5 24 0 14.37 2.77 5 24 0 17.95 2.65 -6 -24 0 23.38 2.37 6 -24 0 20.32 2.18 -6 24 0 15.27 2.85 6 24 0 25.09 3.25 -7 -24 0 1.41 1.12 7 -24 0 1.24 1.05 7 24 0 2.82 1.78 -7 24 0 -0.07 1.45 8 -24 0 -1.70 1.05 -8 -24 0 0.59 1.26 -8 -24 0 -0.88 0.95 -8 24 0 0.99 1.59 -9 -24 0 1.88 1.60 9 -24 0 0.78 1.17 -9 -24 0 1.03 1.39 9 -24 0 2.32 1.42 -9 24 0 -0.37 1.64 0 -25 0 1.40 0.91 0 25 0 1.05 1.67 -1 -25 0 51.98 3.04 1 -25 0 51.71 2.92 1 25 0 45.58 4.47 -1 25 0 43.39 4.49 -2 -25 0 15.31 1.86 2 -25 0 15.12 1.76 -2 25 0 8.40 2.23 2 25 0 19.50 3.10 3 -25 0 81.60 3.91 -3 -25 0 82.23 3.96 -3 25 0 77.34 5.34 3 25 0 77.93 5.21 -4 -25 0 7.19 1.44 4 -25 0 7.74 1.45 4 25 0 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26.77 2.02 4 -16 5 29.32 1.80 -4 -16 -5 24.91 3.29 -4 16 -5 23.82 2.89 4 16 5 29.52 2.20 5 -16 5 41.14 2.26 -5 -16 -5 42.90 4.48 -5 -16 -5 37.00 2.82 -5 -16 -5 37.68 2.38 5 16 5 37.55 2.60 5 16 5 38.10 2.45 -5 16 -5 41.62 2.73 -5 16 -5 36.70 3.60 6 -16 5 0.27 0.71 -6 -16 -5 1.36 0.81 -6 -16 -5 0.28 1.15 6 16 5 0.60 0.79 6 16 5 0.37 0.85 -6 16 -5 1.51 1.03 -6 16 -5 1.84 1.34 7 -16 5 2.20 0.96 -7 -16 -5 2.50 1.53 7 -16 5 2.76 0.91 -7 16 -5 4.06 1.53 7 16 5 3.55 1.08 -7 16 -5 4.24 1.40 8 -16 5 -0.14 0.86 8 -16 5 0.66 0.98 -8 -16 -5 -1.30 1.07 -8 16 -5 0.23 1.14 8 16 5 -0.11 0.89 -8 16 -5 -1.38 1.28 -8 16 -5 -0.47 0.76 8 16 5 2.14 0.97 -9 -16 -5 131.32 6.72 9 -16 5 131.72 5.26 9 -16 5 131.21 5.51 -9 16 -5 131.45 7.21 -9 16 -5 134.56 5.53 9 16 5 129.73 5.64 -9 16 -5 137.13 6.92 10 -16 5 12.27 1.90 -10 -16 -5 6.30 2.03 10 -16 5 8.14 1.55 10 16 5 8.15 1.60 -10 16 -5 9.09 2.14 11 -16 5 11.93 1.73 -11 -16 -5 10.82 2.69 11 -16 5 14.59 2.00 -11 16 -5 8.63 2.21 11 16 5 9.50 1.76 12 -16 5 0.97 1.05 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27.42 1.56 3 -3 -8 26.62 1.61 3 -3 -8 28.67 1.24 -3 -3 8 30.04 1.43 3 -3 -8 26.60 1.47 -3 -3 8 25.93 1.33 3 -3 -8 26.73 1.15 -3 -3 8 28.01 0.99 3 -3 -8 24.75 1.41 -3 -3 8 28.07 1.04 3 3 -8 27.36 1.01 3 3 -8 27.42 1.65 -3 3 8 25.59 1.50 -3 3 8 28.18 1.13 3 3 -8 29.14 1.33 -3 3 8 26.91 1.51 3 3 -8 27.81 1.33 -3 3 8 26.70 1.62 2 -3 -8 87.24 3.24 2 -3 -8 84.46 2.76 2 -3 -8 87.77 3.47 -2 -3 8 85.58 3.36 -2 -3 8 84.94 3.20 -2 -3 8 90.77 3.13 2 -3 -8 85.86 3.30 -2 3 8 87.53 3.35 2 3 -8 86.23 3.12 2 3 -8 86.14 3.05 2 3 -8 84.96 3.45 -2 3 8 85.67 3.39 -2 3 8 86.23 3.32 -2 3 8 89.45 2.74 -1 -3 8 79.96 2.94 1 -3 -8 81.90 3.07 1 -3 -8 82.39 3.19 -1 -3 8 77.43 3.16 1 -3 -8 80.14 2.55 -1 -3 8 81.56 3.14 1 -3 -8 83.71 4.25 1 -3 -8 81.50 2.55 1 3 -8 79.38 3.02 1 3 -8 82.28 3.36 -1 3 8 76.48 3.18 -1 3 8 79.84 3.20 1 3 -8 88.00 2.99 -1 3 8 86.67 3.20 0 -3 8 117.11 4.26 0 -3 -8 119.50 5.73 0 -3 -8 119.68 3.62 0 -3 8 114.72 4.05 0 -3 -8 113.20 4.27 0 -3 -8 116.60 3.61 0 -3 8 122.26 4.33 0 -3 -8 124.05 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33.58 4.15 3 -2 14 37.78 2.41 -3 2 -14 31.60 4.00 3 2 14 37.44 2.51 -4 -2 -14 2.85 1.84 4 -2 14 1.70 1.03 4 2 14 0.54 0.82 -4 2 -14 3.33 1.79 -5 -2 -14 -0.27 1.39 5 -2 14 0.45 0.87 5 2 14 0.07 0.89 -5 2 -14 -0.39 1.41 6 -2 14 3.95 1.15 -6 -2 -14 1.62 1.94 -6 2 -14 4.26 2.06 6 2 14 3.64 1.04 -7 -2 -14 49.01 5.77 -7 -2 -14 47.12 3.64 7 -2 14 49.16 2.83 7 2 14 44.91 2.76 -7 2 -14 50.23 5.69 8 -2 14 42.21 2.61 -8 -2 -14 43.95 3.56 -8 -2 -14 36.58 5.26 8 2 14 39.69 2.55 -8 2 -14 35.91 5.18 -8 2 -14 43.86 3.55 -9 -2 -14 5.92 2.82 -9 -2 -14 13.43 2.42 -9 2 -14 9.91 3.41 -9 2 -14 8.37 2.18 -11 -3 14 14.18 1.82 -11 -3 14 16.37 2.88 11 -3 -14 13.45 2.08 11 3 -14 18.95 2.41 -11 3 14 18.52 2.73 -11 3 14 15.87 2.29 -11 3 14 11.60 1.79 10 -3 -14 61.62 3.63 -10 -3 14 55.43 3.27 -10 3 14 56.48 3.80 -10 3 14 59.81 3.47 10 3 -14 59.26 3.71 9 -3 -14 4.76 1.32 -9 -3 14 3.62 1.21 -9 3 14 4.02 1.22 9 3 -14 3.29 1.23 -9 3 14 3.60 1.32 8 -3 -14 8.95 1.65 -8 -3 14 9.51 1.57 8 3 -14 7.93 1.55 -8 3 14 9.56 1.67 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46.72 5.50 6 -3 14 48.04 2.81 -6 3 -14 48.97 5.49 6 3 14 41.97 2.70 -7 -3 -14 11.42 3.12 -7 -3 -14 8.51 1.91 7 -3 14 10.73 1.58 -7 3 -14 7.56 2.52 7 3 14 11.42 1.65 -8 -3 -14 16.49 2.53 8 -3 14 11.94 1.63 -8 -3 -14 15.22 3.59 8 3 14 11.70 1.70 -8 3 -14 16.48 3.80 -9 -3 -14 11.58 3.41 -9 -3 -14 14.20 2.50 -9 3 -14 12.34 2.28 -9 3 -14 14.03 3.44 -11 -4 14 -0.10 0.93 -11 -4 14 -0.23 1.29 11 -4 -14 2.97 1.36 -11 4 14 0.18 1.40 -11 4 14 0.76 1.27 11 4 -14 1.55 1.15 -11 4 14 0.08 1.05 -10 -4 14 -0.70 0.91 10 -4 -14 0.98 1.01 -10 4 14 0.26 1.04 -10 4 14 -0.27 0.86 10 4 -14 0.61 1.05 -9 -4 14 12.84 1.70 9 -4 -14 14.33 1.94 -9 4 14 9.47 1.95 -9 4 14 14.34 1.94 9 4 -14 14.27 2.01 8 -4 -14 1.76 1.02 -8 -4 14 1.74 0.94 -8 4 14 0.19 0.87 -8 4 14 2.01 1.16 8 4 -14 1.95 1.17 -7 -4 14 159.02 6.34 7 -4 -14 164.07 6.42 -7 4 14 160.84 6.49 7 4 -14 156.99 6.50 -6 -4 14 0.47 1.01 6 -4 -14 1.12 0.90 -6 4 14 1.07 0.93 6 4 -14 -0.20 0.79 -5 -4 14 10.39 1.50 5 -4 -14 11.11 1.60 -5 4 14 12.27 1.71 5 4 -14 12.92 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2.87 -2 5 14 40.76 2.71 -1 -5 14 2.44 1.05 1 -5 -14 2.67 1.12 -1 5 14 3.49 1.07 1 5 -14 3.16 1.18 0 -5 -14 147.64 7.80 0 -5 14 144.74 5.73 0 5 -14 137.43 6.05 0 5 14 144.53 5.89 -1 -5 -14 11.43 2.45 1 -5 14 9.88 1.49 1 5 14 11.78 1.71 -2 -5 -14 -0.34 1.22 2 -5 14 0.17 0.75 -2 5 -14 1.44 1.38 2 5 14 -0.39 0.73 3 -5 14 8.30 1.37 -3 -5 -14 10.24 2.53 3 5 14 10.74 1.68 -3 5 -14 11.68 2.66 4 -5 14 20.36 2.00 -4 -5 -14 21.01 3.46 4 5 14 21.11 2.13 -4 5 -14 18.53 3.20 5 -5 14 5.61 1.29 -5 -5 -14 4.59 2.13 -5 5 -14 3.15 1.96 5 5 14 5.30 1.30 -6 -5 -14 130.52 8.36 6 -5 14 111.11 4.82 -6 5 -14 110.12 7.52 6 5 14 121.20 5.05 -7 -5 -14 2.12 1.36 -7 -5 -14 4.67 2.43 7 -5 14 0.77 0.94 7 5 14 -0.52 0.90 -7 5 -14 0.54 1.65 -8 -5 -14 9.81 2.17 8 -5 14 8.15 1.44 -8 -5 -14 8.53 3.02 -8 5 -14 9.89 2.91 -9 -5 -14 -0.21 2.00 -9 -5 -14 -0.26 1.26 9 -5 14 -0.40 0.84 -9 5 -14 -1.50 2.01 11 -6 -14 6.95 1.53 -11 -6 14 6.45 1.43 -11 -6 14 4.29 2.02 -11 6 14 3.90 1.66 -11 6 14 4.48 1.44 11 6 -14 4.88 1.56 -11 6 14 3.29 1.63 -10 -6 14 0.92 1.33 10 -6 -14 1.48 1.20 -10 -6 14 3.29 1.19 -10 6 14 2.55 1.51 10 6 -14 1.18 1.13 -10 6 14 1.79 1.26 9 -6 -14 26.44 2.51 -9 -6 14 26.80 2.45 -9 6 14 24.91 2.48 -9 6 14 23.16 2.77 9 6 -14 24.24 2.57 -8 -6 14 8.51 1.59 8 -6 -14 7.03 1.54 -8 6 14 8.83 1.58 -8 6 14 6.65 1.63 8 6 -14 7.33 1.56 7 -6 -14 33.20 2.49 -7 -6 14 31.09 2.26 -7 6 14 28.32 2.65 -7 6 14 28.62 3.00 7 6 -14 27.53 2.64 -6 -6 14 0.21 0.79 6 -6 -14 0.05 0.93 6 6 -14 0.46 1.06 -6 6 14 0.12 0.89 -6 6 14 0.91 1.30 -5 -6 14 13.21 1.73 5 -6 -14 19.16 2.06 -5 6 14 21.35 2.49 -5 6 14 18.36 2.08 5 6 -14 18.51 2.09 -4 -6 14 13.47 1.70 4 -6 -14 10.40 1.58 4 6 -14 13.81 1.83 -4 6 14 15.56 1.90 3 -6 -14 87.58 4.26 -3 -6 14 90.15 4.17 -3 6 14 99.12 4.44 3 6 -14 86.28 4.32 -2 -6 14 25.54 2.25 2 -6 -14 24.24 2.40 2 6 -14 28.30 2.57 -2 6 14 22.62 2.27 -1 -6 14 6.49 1.25 1 -6 -14 4.84 1.38 -1 6 14 7.28 1.40 1 6 -14 7.18 1.47 0 -6 -14 -1.45 1.02 0 -6 14 0.07 0.76 0 6 -14 1.07 1.00 0 6 14 1.47 0.97 1 -6 14 92.29 4.10 -1 -6 -14 80.92 5.57 -1 6 -14 85.68 4.45 1 6 14 89.82 4.20 -2 -6 -14 59.02 4.76 2 -6 14 64.86 3.30 2 6 14 63.41 3.40 -2 6 -14 64.07 4.84 -3 -6 -14 64.17 5.04 3 -6 14 63.82 3.30 -3 6 -14 56.73 4.82 3 6 14 58.01 3.25 -4 -6 -14 6.10 2.41 4 -6 14 7.08 1.37 -4 6 -14 5.26 2.01 4 6 14 8.06 1.41 5 -6 14 21.67 2.06 -5 -6 -14 18.44 3.56 -5 6 -14 19.18 3.34 5 6 14 20.16 2.11 -6 -6 -14 13.66 3.31 6 -6 14 7.03 1.39 -6 -6 -14 7.38 1.84 -6 6 -14 11.67 2.78 6 6 14 5.63 1.34 7 -6 14 84.85 4.08 -7 -6 -14 98.79 7.55 -7 -6 -14 93.56 5.38 7 6 14 90.06 4.20 -7 6 -14 90.47 6.89 -8 -6 -14 16.44 2.67 -8 -6 -14 18.28 4.12 8 -6 14 19.29 2.00 -8 6 -14 20.75 3.82 -9 -6 -14 7.11 2.11 9 -6 14 14.23 1.77 -9 -6 -14 7.26 3.11 -9 6 -14 11.01 3.30 -11 -7 14 47.87 3.02 11 -7 -14 54.90 3.33 -11 -7 14 49.99 4.75 -11 7 14 46.93 3.80 -11 7 14 51.10 3.84 -11 7 14 55.91 3.50 11 7 -14 58.33 3.78 -10 -7 14 7.56 2.00 10 -7 -14 10.44 1.79 -10 -7 14 8.54 1.55 -10 7 14 7.54 1.65 -10 7 14 6.78 1.87 10 7 -14 9.01 1.76 -9 -7 14 11.26 1.69 9 -7 -14 11.49 1.72 9 7 -14 9.07 1.72 -9 7 14 13.54 2.27 -9 7 14 11.19 1.83 -8 -7 14 0.60 0.96 8 -7 -14 2.25 1.16 -8 7 14 1.73 1.41 8 7 -14 3.14 1.23 -8 7 14 1.40 1.14 -7 -7 14 18.43 2.02 7 -7 -14 20.22 2.14 -7 7 14 19.12 2.47 7 7 -14 17.70 2.21 -7 7 14 19.20 2.18 6 -7 -14 29.64 2.24 -6 -7 14 30.36 2.27 6 7 -14 33.65 2.55 -6 7 14 32.55 2.87 -6 7 14 28.12 3.11 5 -7 -14 39.07 2.65 -5 -7 14 39.91 2.61 -5 7 14 46.28 3.26 -5 7 14 41.24 2.80 5 7 -14 38.75 2.73 -4 -7 14 9.89 1.52 4 -7 -14 11.09 1.61 4 7 -14 8.82 1.62 -4 7 14 9.33 1.61 -4 7 14 9.34 1.78 3 -7 -14 6.41 1.43 -3 -7 14 7.12 1.41 3 7 -14 7.75 1.57 -3 7 14 8.16 1.50 -2 -7 14 3.91 1.22 2 -7 -14 1.38 1.09 2 7 -14 1.17 0.97 -2 7 14 1.55 0.97 1 -7 -14 100.55 4.53 -1 -7 14 83.13 4.02 -1 7 14 88.20 4.32 1 7 -14 86.10 4.36 0 -7 14 23.13 2.17 0 -7 -14 22.47 3.09 0 7 -14 24.17 2.52 0 7 14 31.80 2.34 1 -7 14 49.04 2.87 1 7 14 37.49 2.76 -1 7 -14 43.88 3.01 2 -7 14 4.01 1.11 -2 -7 -14 1.68 1.73 -2 7 -14 2.33 1.55 2 7 14 6.12 1.42 -3 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2.08 1.12 -4 9 14 1.03 1.12 3 -9 -14 -0.33 0.90 -3 -9 14 -0.19 0.76 -3 9 14 1.65 1.21 3 9 -14 0.37 0.84 -3 9 14 0.54 0.91 -2 -9 14 7.61 1.37 2 -9 -14 4.53 1.22 -2 9 14 6.32 1.79 -2 9 14 3.78 1.32 2 9 -14 6.43 1.39 -1 -9 14 63.63 3.42 1 -9 -14 59.02 3.40 -1 9 14 66.63 3.95 1 9 -14 68.43 3.75 -1 9 14 58.64 3.44 0 -9 -14 4.18 1.67 0 -9 14 6.98 1.39 0 9 14 3.71 1.19 0 9 14 6.31 1.58 0 9 -14 6.34 1.46 -1 -9 -14 80.06 5.42 1 -9 14 79.01 3.90 -1 9 -14 84.13 4.35 1 9 14 84.65 4.63 1 9 14 87.92 4.26 2 -9 14 1.93 0.99 -2 -9 -14 4.24 1.99 -2 9 -14 1.81 1.13 2 9 14 3.19 1.25 2 9 14 1.84 1.31 -3 -9 -14 13.17 2.72 3 -9 14 10.63 1.63 3 9 14 10.00 1.61 3 9 14 9.15 1.79 -3 9 -14 11.08 2.43 4 -9 14 0.95 0.99 -4 -9 -14 0.29 1.51 -4 9 -14 -0.89 1.11 4 9 14 1.23 1.19 4 9 14 -0.07 0.95 -5 -9 -14 43.76 5.22 5 -9 14 48.00 2.84 5 9 14 45.33 2.94 5 9 14 52.77 3.45 -5 9 -14 47.04 4.38 -6 -9 -14 9.92 2.15 -6 -9 -14 12.30 3.25 6 -9 14 10.25 1.62 -6 9 -14 11.80 2.88 6 9 14 9.26 1.80 6 9 14 9.47 1.61 -7 -9 -14 8.00 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55.53 3.68 -3 10 14 55.08 3.32 -2 -10 14 30.74 2.26 2 -10 -14 27.06 2.46 -2 10 14 23.66 2.49 -2 10 14 25.26 2.90 2 10 -14 22.36 2.46 1 -10 -14 0.33 1.02 -1 -10 14 1.46 0.96 1 10 -14 1.23 0.97 -1 10 14 -0.94 0.91 -1 10 14 1.20 1.02 0 -10 14 7.02 1.36 0 -10 -14 8.98 2.20 0 10 14 10.57 1.94 0 10 -14 11.23 1.84 0 10 14 11.49 1.76 1 -10 14 14.27 1.86 -1 -10 -14 17.13 2.87 1 10 14 14.88 2.21 1 10 14 15.14 1.98 -1 10 -14 18.26 2.29 -2 -10 -14 49.66 4.34 2 -10 14 49.99 3.06 2 10 14 58.54 3.31 -2 10 -14 54.50 3.43 2 10 14 57.60 3.65 -3 -10 -14 10.52 2.46 3 -10 14 10.45 1.55 3 10 14 12.57 1.77 -3 10 -14 13.22 2.74 3 10 14 10.66 1.92 -4 -10 -14 2.36 1.76 4 -10 14 1.19 0.88 4 10 14 1.30 1.07 -4 10 -14 1.31 1.48 4 10 14 2.09 1.03 -5 -10 -14 3.77 2.18 5 -10 14 4.49 1.28 -5 10 -14 5.80 2.20 5 10 14 3.12 1.10 5 10 14 3.38 1.31 -6 -10 -14 4.65 2.36 -6 -10 -14 2.58 1.40 6 -10 14 2.20 1.16 -6 10 -14 1.65 1.68 6 10 14 2.70 1.40 6 10 14 3.73 1.30 7 -10 14 55.75 3.16 -7 -10 -14 51.73 6.16 -7 -10 -14 55.32 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