# Electronic Supplementary Material (ESI) for CrystEngComm # This journal is © The Royal Society of Chemistry 2014 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_5_bcphfp_bpe_Co_H2O2 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C29 H20 Co F6 N2 O4' _chemical_formula_weight 633.40 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P21/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 14.812(6) _cell_length_b 13.727(5) _cell_length_c 14.452(5) _cell_angle_alpha 90.00 _cell_angle_beta 112.457(6) _cell_angle_gamma 90.00 _cell_volume 2715.6(17) _cell_formula_units_Z 4 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 5552 _cell_measurement_theta_min 2.5046 _cell_measurement_theta_max 27.5127 _exptl_crystal_description block _exptl_crystal_colour light-yellow _exptl_crystal_size_max 0.50 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.549 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1284 _exptl_absorpt_coefficient_mu 0.712 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.7172 _exptl_absorpt_correction_T_max 0.9322 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Mercury70 (2x2 bin mode)' _diffrn_measurement_method CCD_Profile_fitting _diffrn_detector_area_resol_mean 14.6306 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 30699 _diffrn_reflns_av_R_equivalents 0.0400 _diffrn_reflns_av_sigmaI/netI 0.0351 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 2.84 _diffrn_reflns_theta_max 27.49 _reflns_number_total 6204 _reflns_number_gt 5217 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrystalClear (Rigaku Inc., 2008)' _computing_cell_refinement 'CrystalClear (Rigaku Inc., 2008)' _computing_data_reduction 'CrystalClear (Rigaku Inc., 2008)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0272P)^2^+2.0467P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6204 _refine_ls_number_parameters 459 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0604 _refine_ls_R_factor_gt 0.0481 _refine_ls_wR_factor_ref 0.0958 _refine_ls_wR_factor_gt 0.0897 _refine_ls_goodness_of_fit_ref 1.112 _refine_ls_restrained_S_all 1.112 _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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Co1 Co 0.39042(2) 0.96176(2) 0.57702(2) 0.02795(9) Uani 1 1 d . . . N2 N 0.37647(13) 1.11846(13) 0.57441(14) 0.0303(4) Uani 1 1 d . . . O1 O 0.23887(11) 0.95498(12) 0.56065(12) 0.0361(4) Uani 1 1 d . . . O3 O 0.39975(11) 0.95157(11) 0.43954(12) 0.0333(4) Uani 1 1 d . . . O2 O 0.35643(11) 0.95832(13) 0.71004(13) 0.0407(4) Uani 1 1 d . . . C1 C 0.26740(17) 0.94899(16) 0.65437(19) 0.0336(5) Uani 1 1 d . . . O4 O 0.53954(10) 0.96018(11) 0.65304(12) 0.0321(4) Uani 1 1 d . . . C5 C 0.06778(16) 0.86042(18) 0.78986(19) 0.0351(5) Uani 1 1 d . . . C14 C 0.29255(15) 1.05236(16) 0.31202(17) 0.0305(5) Uani 1 1 d . . . C16 C 0.11791(17) 1.03994(18) 0.2498(2) 0.0388(6) Uani 1 1 d . . . N1 N 0.39525(14) 0.80237(14) 0.58205(15) 0.0332(4) Uani 1 1 d . . . C11 C 0.10779(16) 1.13575(18) 0.21708(19) 0.0348(5) Uani 1 1 d . . . C2 C 0.19618(16) 0.92259(18) 0.70167(18) 0.0348(5) Uani 1 1 d . . . C17 C 0.39170(16) 1.01119(16) 0.37104(17) 0.0287(5) Uani 1 1 d . . . C4 C 0.03642(17) 0.8713(2) 0.68705(19) 0.0397(6) Uani 1 1 d . . . C15 C 0.20916(17) 0.99903(19) 0.2985(2) 0.0386(6) Uani 1 1 d . . . C3 C 0.09960(18) 0.9023(2) 0.6432(2) 0.0393(6) Uani 1 1 d . . . F6 F 0.04161(12) 1.16888(18) 0.01788(13) 0.0796(6) Uani 1 1 d . . . C20 C 0.41834(17) 0.59869(16) 0.59902(17) 0.0325(5) Uani 1 1 d . . . C8 C 0.00417(16) 1.17881(18) 0.16430(19) 0.0365(5) Uani 1 1 d . . . C18 C 0.33536(19) 0.74537(18) 0.6071(2) 0.0430(6) Uani 1 1 d . . . C6 C 0.16458(18) 0.8806(2) 0.8480(2) 0.0480(7) Uani 1 1 d . . . C13 C 0.28262(17) 1.14633(18) 0.2745(2) 0.0379(6) Uani 1 1 d . . . C22 C 0.4669(2) 0.75673(19) 0.5650(2) 0.0440(6) Uani 1 1 d . . . C19 C 0.34390(19) 0.64586(18) 0.6160(2) 0.0428(6) Uani 1 1 d . . . C12 C 0.19165(17) 1.18811(19) 0.2290(2) 0.0408(6) Uani 1 1 d . . . C10 C -0.0287(2) 1.1528(3) 0.0527(2) 0.0527(8) Uani 1 1 d . . . C21 C 0.4805(2) 0.65754(19) 0.5738(2) 0.0465(7) Uani 1 1 d . . . F1 F -0.08657(13) 1.32601(14) 0.14426(18) 0.0842(7) Uani 1 1 d . . . F2 F 0.04586(13) 1.33662(13) 0.11888(17) 0.0772(6) Uani 1 1 d . . . F3 F -0.05202(13) 1.05918(15) 0.03708(13) 0.0672(5) Uani 1 1 d . . . F4 F -0.10620(12) 1.20364(16) -0.00655(13) 0.0717(6) Uani 1 1 d . . . F5 F 0.05073(14) 1.31901(13) 0.26826(17) 0.0742(5) Uani 1 1 d . . . C28 C 0.44841(18) 1.17667(17) 0.63130(19) 0.0355(5) Uani 1 1 d . . . C29 C 0.44111(18) 1.27725(18) 0.6323(2) 0.0372(5) Uani 1 1 d . . . C25 C 0.35516(17) 1.32212(16) 0.57066(18) 0.0342(5) Uani 1 1 d . . . C26 C 0.27991(19) 1.26129(18) 0.5137(2) 0.0417(6) Uani 1 1 d . . . C7 C 0.22815(18) 0.9110(2) 0.8039(2) 0.0461(7) Uani 1 1 d . . . C23 C 0.4332(2) 0.49030(18) 0.6106(2) 0.0401(6) Uani 1 1 d . . . C27 C 0.29228(18) 1.16187(18) 0.5177(2) 0.0394(6) Uani 1 1 d . . . C24 C 0.3418(2) 0.43123(19) 0.5641(3) 0.0488(7) Uani 1 1 d . . . C9 C 0.0040(2) 1.2908(2) 0.1736(3) 0.0575(8) Uani 1 1 d . . . H2 H -0.0283(18) 0.8584(17) 0.6458(18) 0.033(6) Uiso 1 1 d . . . H19 H 0.5093(19) 1.1456(19) 0.6702(19) 0.041(7) Uiso 1 1 d . . . H17 H 0.222(2) 1.2889(19) 0.471(2) 0.046(8) Uiso 1 1 d . . . H7 H 0.2147(19) 0.935(2) 0.321(2) 0.045(7) Uiso 1 1 d . . . H18 H 0.2380(19) 1.117(2) 0.480(2) 0.047(8) Uiso 1 1 d . . . H14 H 0.478(2) 0.469(2) 0.584(2) 0.054(8) Uiso 1 1 d . . . H3 H 0.190(2) 0.872(2) 0.920(2) 0.056(8) Uiso 1 1 d . . . H12 H 0.508(2) 0.798(2) 0.547(2) 0.052(8) Uiso 1 1 d . . . H9 H 0.286(2) 0.778(2) 0.619(2) 0.055(8) Uiso 1 1 d . . . H20 H 0.497(2) 1.3124(19) 0.674(2) 0.047(8) Uiso 1 1 d . . . H8 H 0.063(2) 1.003(2) 0.238(2) 0.048(8) Uiso 1 1 d . . . H5 H 0.188(2) 1.253(2) 0.207(2) 0.052(8) Uiso 1 1 d . . . H6 H 0.341(2) 1.184(2) 0.286(2) 0.051(8) Uiso 1 1 d . . . H11 H 0.532(2) 0.630(2) 0.561(2) 0.054(8) Uiso 1 1 d . . . H13 H 0.461(2) 0.475(2) 0.683(3) 0.076(11) Uiso 1 1 d . . . H1 H 0.076(2) 0.911(2) 0.573(2) 0.054(8) Uiso 1 1 d . . . H15 H 0.295(3) 0.447(2) 0.589(3) 0.074(11) Uiso 1 1 d . . . H16 H 0.307(3) 0.449(2) 0.492(3) 0.081(11) Uiso 1 1 d . . . H4 H 0.296(2) 0.921(2) 0.845(2) 0.055(8) Uiso 1 1 d . . . H10 H 0.299(2) 0.612(2) 0.633(2) 0.064(9) 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 Co1 0.02353(15) 0.02562(16) 0.03703(18) 0.00252(13) 0.01417(13) 0.00105(12) N2 0.0312(10) 0.0242(9) 0.0373(11) -0.0003(8) 0.0152(9) 0.0026(8) O1 0.0316(8) 0.0391(9) 0.0409(10) 0.0001(8) 0.0175(7) -0.0008(7) O3 0.0360(9) 0.0303(8) 0.0366(9) 0.0059(7) 0.0171(7) 0.0043(7) O2 0.0260(8) 0.0543(11) 0.0446(10) -0.0030(9) 0.0167(8) -0.0053(8) C1 0.0303(12) 0.0284(12) 0.0481(15) -0.0046(10) 0.0216(11) -0.0011(9) O4 0.0223(7) 0.0366(9) 0.0391(9) 0.0066(7) 0.0137(7) 0.0021(6) C5 0.0251(11) 0.0408(13) 0.0430(14) 0.0000(11) 0.0169(10) 0.0033(10) C14 0.0242(11) 0.0333(12) 0.0379(12) 0.0060(10) 0.0163(10) 0.0028(9) C16 0.0232(11) 0.0337(13) 0.0623(17) 0.0073(12) 0.0195(12) 0.0000(10) N1 0.0339(10) 0.0267(10) 0.0404(11) 0.0015(9) 0.0158(9) -0.0008(8) C11 0.0243(11) 0.0364(13) 0.0469(14) 0.0076(11) 0.0171(10) 0.0061(9) C2 0.0254(11) 0.0404(13) 0.0422(14) -0.0055(11) 0.0171(10) -0.0012(10) C17 0.0275(11) 0.0277(11) 0.0328(12) 0.0013(9) 0.0139(10) 0.0034(9) C4 0.0222(12) 0.0556(16) 0.0404(14) -0.0021(12) 0.0110(11) -0.0026(11) C15 0.0300(12) 0.0307(12) 0.0577(17) 0.0110(12) 0.0195(12) 0.0036(10) C3 0.0302(12) 0.0519(16) 0.0365(14) -0.0027(12) 0.0135(11) -0.0020(11) F6 0.0474(10) 0.144(2) 0.0598(11) 0.0200(12) 0.0347(9) 0.0043(11) C20 0.0373(12) 0.0259(11) 0.0341(12) -0.0015(10) 0.0134(10) 0.0001(9) C8 0.0265(11) 0.0394(13) 0.0472(14) 0.0079(11) 0.0182(11) 0.0076(10) C18 0.0366(14) 0.0295(13) 0.0694(19) -0.0003(12) 0.0274(14) -0.0004(10) C6 0.0285(13) 0.078(2) 0.0378(15) 0.0025(14) 0.0125(12) -0.0012(13) C13 0.0260(12) 0.0388(13) 0.0519(15) 0.0134(12) 0.0181(11) 0.0015(10) C22 0.0538(16) 0.0308(13) 0.0632(18) -0.0021(12) 0.0402(15) -0.0045(11) C19 0.0383(14) 0.0283(12) 0.0661(18) 0.0042(12) 0.0248(14) -0.0024(10) C12 0.0311(12) 0.0353(13) 0.0593(17) 0.0182(12) 0.0209(12) 0.0057(10) C10 0.0347(14) 0.078(2) 0.0512(17) 0.0140(16) 0.0227(13) 0.0080(14) C21 0.0545(17) 0.0310(13) 0.0716(19) -0.0058(13) 0.0435(16) 0.0011(12) F1 0.0456(10) 0.0553(11) 0.152(2) 0.0165(12) 0.0380(12) 0.0265(9) F2 0.0580(11) 0.0569(11) 0.1208(17) 0.0457(11) 0.0389(11) 0.0143(9) F3 0.0631(11) 0.0818(14) 0.0626(11) -0.0180(10) 0.0305(9) 0.0023(10) F4 0.0429(9) 0.1083(16) 0.0595(11) 0.0330(11) 0.0146(8) 0.0146(10) F5 0.0673(12) 0.0529(11) 0.1049(16) -0.0171(11) 0.0357(12) -0.0022(9) C28 0.0340(13) 0.0288(12) 0.0420(14) 0.0014(10) 0.0126(11) 0.0036(10) C29 0.0347(13) 0.0298(12) 0.0444(15) -0.0011(11) 0.0124(11) -0.0004(10) C25 0.0376(13) 0.0253(11) 0.0425(14) 0.0018(10) 0.0184(11) 0.0028(10) C26 0.0354(14) 0.0320(13) 0.0501(16) 0.0014(12) 0.0079(12) 0.0061(11) C7 0.0247(12) 0.074(2) 0.0390(15) -0.0052(14) 0.0112(11) -0.0056(12) C23 0.0419(14) 0.0281(12) 0.0486(16) -0.0006(11) 0.0154(13) 0.0040(10) C27 0.0346(13) 0.0307(13) 0.0495(15) -0.0038(11) 0.0121(12) 0.0009(10) C24 0.0418(16) 0.0270(13) 0.070(2) 0.0044(13) 0.0132(15) 0.0032(11) C9 0.0397(15) 0.0454(17) 0.091(3) 0.0157(17) 0.0293(17) 0.0133(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 Co1 O3 2.0484(17) . ? Co1 O4 2.0573(16) . ? Co1 N2 2.1598(19) . ? Co1 O2 2.1659(18) . ? Co1 O1 2.1675(18) . ? Co1 N1 2.189(2) . ? Co1 C1 2.481(2) . ? N2 C28 1.334(3) . ? N2 C27 1.342(3) . ? O1 C1 1.258(3) . ? O3 C17 1.255(3) . ? O2 C1 1.262(3) . ? C1 C2 1.504(3) . ? O4 C17 1.258(3) 3_676 ? C5 C4 1.385(4) . ? C5 C6 1.385(3) . ? C5 C8 1.550(3) 3_576 ? C14 C15 1.384(3) . ? C14 C13 1.385(3) . ? C14 C17 1.499(3) . ? C16 C15 1.382(3) . ? C16 C11 1.386(3) . ? N1 C18 1.333(3) . ? N1 C22 1.334(3) . ? C11 C12 1.388(3) . ? C11 C8 1.547(3) . ? C2 C7 1.378(4) . ? C2 C3 1.384(3) . ? C17 O4 1.258(3) 3_676 ? C4 C3 1.383(3) . ? F6 C10 1.337(3) . ? C20 C21 1.375(3) . ? C20 C19 1.379(3) . ? C20 C23 1.504(3) . ? C8 C10 1.538(4) . ? C8 C9 1.544(4) . ? C8 C5 1.550(3) 3_576 ? C18 C19 1.373(3) . ? C6 C7 1.387(4) . ? C13 C12 1.378(3) . ? C22 C21 1.375(4) . ? C10 F3 1.327(4) . ? C10 F4 1.337(3) . ? F1 C9 1.333(3) . ? F2 C9 1.334(3) . ? F5 C9 1.333(4) . ? C28 C29 1.385(3) . ? C29 C25 1.388(3) . ? C25 C26 1.384(3) . ? C25 C24 1.509(3) 1_565 ? C26 C27 1.375(3) . ? C23 C24 1.498(4) . ? C24 C25 1.509(3) 1_545 ? 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 O3 Co1 O4 93.49(7) . . ? O3 Co1 N2 95.31(7) . . ? O4 Co1 N2 95.50(7) . . ? O3 Co1 O2 169.78(6) . . ? O4 Co1 O2 95.28(6) . . ? N2 Co1 O2 89.09(7) . . ? O3 Co1 O1 110.00(6) . . ? O4 Co1 O1 156.03(7) . . ? N2 Co1 O1 87.29(7) . . ? O2 Co1 O1 60.91(6) . . ? O3 Co1 N1 87.16(7) . . ? O4 Co1 N1 87.53(7) . . ? N2 Co1 N1 175.95(7) . . ? O2 Co1 N1 87.96(7) . . ? O1 Co1 N1 88.86(7) . . ? O3 Co1 C1 139.94(7) . . ? O4 Co1 C1 125.60(8) . . ? N2 Co1 C1 89.79(7) . . ? O2 Co1 C1 30.56(7) . . ? O1 Co1 C1 30.46(7) . . ? N1 Co1 C1 86.26(7) . . ? C28 N2 C27 116.6(2) . . ? C28 N2 Co1 122.48(15) . . ? C27 N2 Co1 120.88(16) . . ? C1 O1 Co1 88.70(13) . . ? C17 O3 Co1 134.40(15) . . ? C1 O2 Co1 88.68(14) . . ? O1 C1 O2 121.3(2) . . ? O1 C1 C2 120.0(2) . . ? O2 C1 C2 118.6(2) . . ? O1 C1 Co1 60.84(12) . . ? O2 C1 Co1 60.77(12) . . ? C2 C1 Co1 170.06(17) . . ? C17 O4 Co1 131.78(15) 3_676 . ? C4 C5 C6 118.3(2) . . ? C4 C5 C8 119.5(2) . 3_576 ? C6 C5 C8 122.1(2) . 3_576 ? C15 C14 C13 118.8(2) . . ? C15 C14 C17 120.6(2) . . ? C13 C14 C17 120.6(2) . . ? C15 C16 C11 121.1(2) . . ? C18 N1 C22 115.7(2) . . ? C18 N1 Co1 125.39(16) . . ? C22 N1 Co1 118.78(16) . . ? C16 C11 C12 118.3(2) . . ? C16 C11 C8 119.2(2) . . ? C12 C11 C8 122.4(2) . . ? C7 C2 C3 118.9(2) . . ? C7 C2 C1 120.1(2) . . ? C3 C2 C1 120.8(2) . . ? O3 C17 O4 125.4(2) . 3_676 ? O3 C17 C14 118.17(19) . . ? O4 C17 C14 116.45(19) 3_676 . ? C3 C4 C5 121.1(2) . . ? C16 C15 C14 120.2(2) . . ? C4 C3 C2 120.3(2) . . ? C21 C20 C19 115.7(2) . . ? C21 C20 C23 121.8(2) . . ? C19 C20 C23 122.5(2) . . ? C10 C8 C9 108.2(2) . . ? C10 C8 C11 106.6(2) . . ? C9 C8 C11 111.8(2) . . ? C10 C8 C5 111.9(2) . 3_576 ? C9 C8 C5 106.5(2) . 3_576 ? C11 C8 C5 111.8(2) . 3_576 ? N1 C18 C19 124.2(2) . . ? C5 C6 C7 120.6(3) . . ? C12 C13 C14 120.8(2) . . ? N1 C22 C21 123.2(2) . . ? C18 C19 C20 120.1(2) . . ? C13 C12 C11 120.6(2) . . ? F3 C10 F6 106.6(3) . . ? F3 C10 F4 107.0(3) . . ? F6 C10 F4 105.9(2) . . ? F3 C10 C8 111.1(2) . . ? F6 C10 C8 112.1(2) . . ? F4 C10 C8 113.6(2) . . ? C20 C21 C22 121.1(2) . . ? N2 C28 C29 123.8(2) . . ? C28 C29 C25 119.4(2) . . ? C26 C25 C29 116.5(2) . . ? C26 C25 C24 120.3(2) . 1_565 ? C29 C25 C24 123.1(2) . 1_565 ? C27 C26 C25 120.6(2) . . ? C2 C7 C6 120.8(2) . . ? C24 C23 C20 114.6(2) . . ? N2 C27 C26 123.0(2) . . ? C23 C24 C25 115.8(2) . 1_545 ? F5 C9 F1 106.6(3) . . ? F5 C9 F2 107.1(3) . . ? F1 C9 F2 106.2(2) . . ? F5 C9 C8 111.2(2) . . ? F1 C9 C8 111.6(2) . . ? F2 C9 C8 113.6(3) . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 27.49 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.291 _refine_diff_density_min -0.386 _refine_diff_density_rms 0.052 _database_code_depnum_ccdc_archive 'CCDC 942715' ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_2_bcphfp_BPE_Co3 _audit_creation_date 2013-11-22 _audit_creation_method ; Olex2 1.2 (compiled Apr 23 2013 17:54:37, GUI svn.r4466) ; _chemical_name_common ? _chemical_name_systematic ; ? ; _chemical_formula_moiety 'C92 H58 Co3 F24 N4 O16' _chemical_formula_sum 'C92 H58 Co3 F24 N4 O16' _chemical_formula_weight 2108.21 _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Co Co 0.3494 0.9721 '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 1 21/c 1' _space_group_name_Hall '-P 2ybc' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 13.336(6) _cell_length_b 24.714(10) _cell_length_c 14.403(6) _cell_angle_alpha 90 _cell_angle_beta 112.420(7) _cell_angle_gamma 90 _cell_volume 4388(3) _cell_formula_units_Z 2 _cell_measurement_reflns_used ? _cell_measurement_temperature 298(2) _cell_measurement_theta_max ? _cell_measurement_theta_min ? _exptl_absorpt_coefficient_mu 0.682 _exptl_absorpt_correction_T_max ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ? _exptl_crystal_colour purple _exptl_crystal_density_diffrn 1.595 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description ? _exptl_crystal_F_000 2126 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.1 _exptl_special_details ; ? ; _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0455 _diffrn_reflns_av_unetI/netI 0.0522 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_k_min -32 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 34021 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.507 _diffrn_reflns_theta_min 2.771 _diffrn_ambient_temperature 298(2) _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source ? _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 7907 _reflns_number_total 10058 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement ? _computing_data_collection ? _computing_data_reduction ? _computing_molecular_graphics ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_publication_material ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _computing_structure_solution ? _refine_diff_density_max 1.035 _refine_diff_density_min -0.457 _refine_diff_density_rms 0.074 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.069 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 629 _refine_ls_number_reflns 10058 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0834 _refine_ls_R_factor_gt 0.0644 _refine_ls_restrained_S_all 1.069 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0804P)^2^+3.7022P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1602 _refine_ls_wR_factor_ref 0.1745 _refine_special_details ; ? ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All O(H) groups 2.a Secondary CH2 refined with riding coordinates: C48(H48A,H48B), C41(H41A,H41B) 2.b Aromatic/amide H refined with riding coordinates: C7(H7), C6(H6), C4(H4), C3(H3), C13(H13), C14(H14), C10(H10), C11(H11), C24(H24), C23(H23), C21(H21), C20(H20), C28(H28), C27(H27), C31(H31), C30(H30), C35(H35), C36(H36), C38(H38), C39(H39), C42(H42), C43(H43), C45(H45), C46(H46) 2.c Idealised tetrahedral OH refined as rotating group: O8(H8) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary ? _atom_sites_solution_secondary ? loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Co1 Co 1.32450(3) 0.01638(2) 0.99333(3) 0.03134(13) Uani 1 1 d . . . . . O1 O 1.32099(19) -0.04791(10) 1.07317(18) 0.0391(5) Uani 1 1 d . . . . . F1 F 1.0837(2) -0.30708(11) 1.1402(2) 0.0701(7) Uani 1 1 d . . . . . N1 N 1.2909(2) -0.01030(11) 0.84946(19) 0.0342(6) Uani 1 1 d . . . . . C2 C 1.2183(3) -0.11558(13) 1.1108(2) 0.0337(7) Uani 1 1 d . . . . . Co2 Co 1.0000 0.0000 1.0000 0.02868(15) Uani 1 2 d S . P . . O2 O 1.14220(19) -0.04307(9) 0.99645(16) 0.0370(5) Uani 1 1 d . . . . . F3 F 1.0793(2) -0.33239(11) 1.2807(3) 0.0871(10) Uani 1 1 d . . . . . N2 N 1.0608(2) -0.01366(11) 1.15956(19) 0.0359(6) Uani 1 1 d . . . . . C7 C 1.1221(3) -0.14412(14) 1.0792(3) 0.0412(8) Uani 1 1 d . . . . . H7 H 1.0640 -0.1326 1.0225 0.049 Uiso 1 1 calc R U . . . O3 O 1.5720(2) -0.43099(10) 1.34843(18) 0.0452(6) Uani 1 1 d . . . . . F2 F 0.9887(2) -0.26310(12) 1.2062(3) 0.0830(9) Uani 1 1 d . . . . . C6 C 1.1108(3) -0.18936(15) 1.1303(3) 0.0461(9) Uani 1 1 d . . . . . H6 H 1.0452 -0.2079 1.1075 0.055 Uiso 1 1 calc R U . . . O4 O 1.54233(19) -0.44043(10) 1.48701(17) 0.0391(5) Uani 1 1 d . . . . . F4 F 1.1262(3) -0.25685(13) 1.4227(2) 0.0936(11) Uani 1 1 d . . . . . C5 C 1.1959(3) -0.20773(14) 1.2153(3) 0.0392(8) Uani 1 1 d . . . . . O5 O 1.21717(19) 0.07403(9) 0.97234(18) 0.0390(5) Uani 1 1 d . . . . . F5 F 1.0953(3) -0.18361(13) 1.3379(3) 0.0930(11) Uani 1 1 d . . . . . C4 C 1.2932(3) -0.17958(16) 1.2444(3) 0.0514(10) Uani 1 1 d . . . . . H4 H 1.3522 -0.1913 1.3000 0.062 Uiso 1 1 calc R U . . . O6 O 1.08687(18) 0.07084(9) 1.03341(17) 0.0363(5) Uani 1 1 d . . . . . F6 F 1.2562(3) -0.20395(12) 1.4346(2) 0.0807(9) Uani 1 1 d . . . . . C3 C 1.3043(3) -0.13450(16) 1.1924(3) 0.0490(9) Uani 1 1 d . . . . . H3 H 1.3707 -0.1167 1.2130 0.059 Uiso 1 1 calc R U . . . F10 F 1.4579(2) 0.28797(12) 1.27588(19) 0.0687(7) Uani 1 1 d . . . . . C1 C 1.2260(3) -0.06530(13) 1.0559(2) 0.0340(7) Uani 1 1 d . . . . . O7 O 1.5112(4) 0.4387(2) 0.9098(3) 0.1219(19) Uani 1 1 d . . . . . F11 F 1.3379(3) 0.27472(12) 1.33777(18) 0.0768(8) Uani 1 1 d . . . . . O8 O 1.3715(3) 0.39875(17) 0.7932(2) 0.0755(10) Uani 1 1 d . . . . . H8 H 1.3985 0.4115 0.7556 0.113 Uiso 1 1 calc R U . . . C12 C 1.4413(3) -0.37279(13) 1.3744(2) 0.0349(7) Uani 1 1 d . . . . . F12 F 1.3911(2) 0.35530(12) 1.32753(19) 0.0749(8) Uani 1 1 d . . . . . C13 C 1.4081(3) -0.34768(15) 1.2810(3) 0.0435(8) Uani 1 1 d . . . . . H13 H 1.4392 -0.3578 1.2359 0.052 Uiso 1 1 calc R U . . . F8 F 1.1542(2) 0.32973(11) 1.2556(2) 0.0758(8) Uani 1 1 d . . . . . C14 C 1.3297(3) -0.30804(16) 1.2547(3) 0.0460(9) Uani 1 1 d . . . . . H14 H 1.3089 -0.2915 1.1921 0.055 Uiso 1 1 calc R U . . . F7 F 1.2044(2) 0.39757(10) 1.1927(3) 0.0831(9) Uani 1 1 d . . . . . C9 C 1.2810(3) -0.29230(14) 1.3205(3) 0.0415(8) Uani 1 1 d . . . . . F9 F 1.0937(2) 0.34005(11) 1.0967(2) 0.0725(8) Uani 1 1 d . . . . . C10 C 1.3148(3) -0.31737(15) 1.4134(3) 0.0475(9) Uani 1 1 d . . . . . H10 H 1.2836 -0.3074 1.4587 0.057 Uiso 1 1 calc R U . . . C11 C 1.3934(3) -0.35660(14) 1.4400(3) 0.0419(8) Uani 1 1 d . . . . . H11 H 1.4149 -0.3726 1.5030 0.050 Uiso 1 1 calc R U . . . C15 C 1.5230(3) -0.41710(13) 1.4033(2) 0.0345(7) Uani 1 1 d . . . . . C8 C 1.1833(3) -0.25313(15) 1.2825(3) 0.0471(9) Uani 1 1 d . . . . . C16 C 1.0836(3) -0.28901(18) 1.2272(4) 0.0623(12) Uani 1 1 d . . . . . C17 C 1.1644(5) -0.2249(2) 1.3698(4) 0.0667(14) Uani 1 1 d . . . . . C19 C 1.1928(3) 0.14945(13) 1.0617(2) 0.0332(7) Uani 1 1 d . . . . . C24 C 1.2767(3) 0.17684(14) 1.0482(3) 0.0407(8) Uani 1 1 d . . . . . H24 H 1.3150 0.1604 1.0137 0.049 Uiso 1 1 calc R U . . . C23 C 1.3036(3) 0.22854(15) 1.0857(3) 0.0446(8) Uani 1 1 d . . . . . H23 H 1.3611 0.2464 1.0774 0.054 Uiso 1 1 calc R U . . . C22 C 1.2463(3) 0.25431(13) 1.1355(3) 0.0377(7) Uani 1 1 d . . . . . C21 C 1.1645(3) 0.22622(15) 1.1512(3) 0.0425(8) Uani 1 1 d . . . . . H21 H 1.1266 0.2423 1.1864 0.051 Uiso 1 1 calc R U . . . C20 C 1.1390(3) 0.17407(14) 1.1146(3) 0.0389(8) Uani 1 1 d . . . . . H20 H 1.0844 0.1553 1.1262 0.047 Uiso 1 1 calc R U . . . C18 C 1.1640(3) 0.09356(13) 1.0203(2) 0.0331(7) Uani 1 1 d . . . . . C29 C 1.3863(3) 0.39034(17) 0.9594(3) 0.0468(9) Uani 1 1 d . . . . . C28 C 1.2909(3) 0.36100(18) 0.9277(3) 0.0527(10) Uani 1 1 d . . . . . H28 H 1.2505 0.3564 0.8595 0.063 Uiso 1 1 calc R U . . . C27 C 1.2561(3) 0.33871(16) 0.9975(3) 0.0479(9) Uani 1 1 d . . . . . H27 H 1.1908 0.3199 0.9758 0.057 Uiso 1 1 calc R U . . . C26 C 1.3163(3) 0.34368(14) 1.0996(3) 0.0384(7) Uani 1 1 d . . . . . C31 C 1.4082(3) 0.37550(17) 1.1301(3) 0.0491(9) Uani 1 1 d . . . . . H31 H 1.4471 0.3813 1.1982 0.059 Uiso 1 1 calc R U . . . C30 C 1.4431(3) 0.39870(19) 1.0607(3) 0.0546(10) Uani 1 1 d . . . . . H30 H 1.5051 0.4201 1.0822 0.065 Uiso 1 1 calc R U . . . C32 C 1.4300(4) 0.4120(2) 0.8854(4) 0.0629(12) Uani 1 1 d . . . . . C25 C 1.2782(3) 0.31256(14) 1.1734(3) 0.0396(8) Uani 1 1 d . . . . . C34 C 1.3671(4) 0.30795(17) 1.2794(3) 0.0543(10) Uani 1 1 d . . . . . C33 C 1.1815(4) 0.34481(16) 1.1796(4) 0.0558(11) Uani 1 1 d . . . . . C35 C 1.2046(3) -0.04090(17) 0.7987(3) 0.0496(9) Uani 1 1 d . . . . . H35 H 1.1598 -0.0521 0.8311 0.059 Uiso 1 1 calc R U . . . C36 C 1.1792(4) -0.0565(2) 0.7017(3) 0.0636(12) Uani 1 1 d . . . . . H36 H 1.1185 -0.0779 0.6693 0.076 Uiso 1 1 calc R U . . . C37 C 1.2447(4) -0.0402(2) 0.6514(3) 0.0625(12) Uani 1 1 d . . . . . C38 C 1.3343(4) -0.00894(17) 0.7040(3) 0.0516(10) Uani 1 1 d . . . . . H38 H 1.3805 0.0026 0.6732 0.062 Uiso 1 1 calc R U . . . C39 C 1.3548(3) 0.00507(14) 0.8016(3) 0.0401(8) Uani 1 1 d . . . . . H39 H 1.4155 0.0261 0.8360 0.048 Uiso 1 1 calc R U . . . C48 C 1.2174(5) -0.0546(2) 0.5416(3) 0.0831(16) Uani 1 1 d . . . . . H48A H 1.2831 -0.0611 0.5295 0.100 Uiso 1 1 calc R U . . . H48B H 1.1727 -0.0869 0.5235 0.100 Uiso 1 1 calc R U . . . C41 C 1.1600(6) -0.0095(3) 0.4842(4) 0.103(2) Uani 1 1 d . . . . . H41A H 1.2044 0.0227 0.5067 0.123 Uiso 1 1 calc R U . . . H41B H 1.0944 -0.0040 0.4971 0.123 Uiso 1 1 calc R U . . . C42 C 1.1612(4) 0.0023(2) 1.2183(3) 0.0624(12) Uani 1 1 d . . . . . H42 H 1.2067 0.0157 1.1883 0.075 Uiso 1 1 calc R U . . . C43 C 1.1992(5) -0.0003(3) 1.3214(4) 0.095(2) Uani 1 1 d . . . . . H43 H 1.2711 0.0082 1.3597 0.114 Uiso 1 1 calc R U . . . C44 C 1.1285(5) -0.0160(2) 1.3689(3) 0.0848(18) Uani 1 1 d . . . . . C45 C 1.0383(5) -0.0418(3) 1.3070(3) 0.102(2) Uani 1 1 d . . . . . H45 H 0.9980 -0.0625 1.3342 0.122 Uiso 1 1 calc R U . . . C46 C 1.0058(4) -0.0378(2) 1.2055(3) 0.0657(13) Uani 1 1 d . . . . . H46 H 0.9397 -0.0534 1.1662 0.079 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 Co1 0.0374(3) 0.0299(2) 0.0272(2) -0.00253(16) 0.01280(18) -0.00452(17) O1 0.0401(13) 0.0346(13) 0.0463(13) 0.0063(10) 0.0206(11) -0.0030(10) F1 0.0567(15) 0.0503(15) 0.097(2) 0.0111(14) 0.0215(14) -0.0047(12) N1 0.0452(16) 0.0303(14) 0.0247(12) -0.0027(10) 0.0106(11) 0.0023(12) C2 0.0367(17) 0.0285(16) 0.0384(16) 0.0048(13) 0.0171(14) 0.0034(13) Co2 0.0331(3) 0.0273(3) 0.0245(3) 0.0018(2) 0.0098(2) -0.0033(2) O2 0.0452(13) 0.0312(12) 0.0347(11) 0.0077(9) 0.0153(10) 0.0063(10) F3 0.0673(17) 0.0625(17) 0.138(3) 0.0530(18) 0.0469(18) 0.0001(14) N2 0.0407(15) 0.0380(16) 0.0258(12) 0.0009(11) 0.0090(11) -0.0036(12) C7 0.0353(17) 0.0341(18) 0.0465(19) 0.0108(15) 0.0071(15) 0.0009(14) O3 0.0488(15) 0.0461(15) 0.0436(13) 0.0015(11) 0.0210(12) 0.0108(12) F2 0.0457(14) 0.079(2) 0.135(3) 0.0475(18) 0.0461(16) 0.0177(13) C6 0.0375(19) 0.0345(19) 0.062(2) 0.0113(16) 0.0144(17) -0.0028(15) O4 0.0434(13) 0.0366(13) 0.0362(12) 0.0094(10) 0.0138(10) 0.0072(10) F4 0.117(3) 0.095(2) 0.113(2) 0.0532(19) 0.094(2) 0.0462(19) C5 0.0385(18) 0.0327(18) 0.0517(19) 0.0155(15) 0.0233(16) 0.0091(14) O5 0.0433(13) 0.0324(13) 0.0443(13) -0.0017(10) 0.0201(11) 0.0023(10) F5 0.116(2) 0.081(2) 0.115(2) 0.0431(18) 0.080(2) 0.0649(19) C4 0.041(2) 0.051(2) 0.053(2) 0.0255(18) 0.0072(17) 0.0029(17) O6 0.0401(13) 0.0279(12) 0.0417(12) 0.0003(9) 0.0165(10) -0.0047(10) F6 0.112(3) 0.0674(19) 0.0728(18) 0.0039(14) 0.0465(18) 0.0269(18) C3 0.0322(18) 0.048(2) 0.059(2) 0.0194(18) 0.0078(16) -0.0020(16) F10 0.0542(15) 0.0824(19) 0.0588(14) 0.0067(13) 0.0095(12) -0.0043(14) C1 0.0431(18) 0.0296(16) 0.0325(15) -0.0015(12) 0.0182(14) -0.0007(14) O7 0.100(3) 0.201(5) 0.071(2) 0.008(3) 0.040(2) -0.074(3) F11 0.102(2) 0.0824(19) 0.0494(13) 0.0018(13) 0.0325(14) -0.0361(17) O8 0.073(2) 0.106(3) 0.0544(18) 0.0070(18) 0.0319(17) -0.014(2) C12 0.0369(17) 0.0291(16) 0.0374(16) 0.0057(13) 0.0128(14) 0.0026(13) F12 0.098(2) 0.0712(18) 0.0557(14) -0.0259(13) 0.0302(14) -0.0397(16) C13 0.048(2) 0.043(2) 0.0467(19) 0.0135(15) 0.0261(17) 0.0146(16) F8 0.0897(19) 0.0686(18) 0.100(2) -0.0348(15) 0.0711(18) -0.0268(15) C14 0.048(2) 0.048(2) 0.0466(19) 0.0239(16) 0.0240(17) 0.0188(17) F7 0.090(2) 0.0376(14) 0.153(3) -0.0272(16) 0.081(2) -0.0159(13) C9 0.0408(19) 0.0346(18) 0.055(2) 0.0162(15) 0.0251(16) 0.0113(15) F9 0.0493(15) 0.0652(17) 0.109(2) -0.0042(15) 0.0363(15) 0.0031(12) C10 0.058(2) 0.041(2) 0.054(2) 0.0178(17) 0.0329(19) 0.0146(17) C11 0.051(2) 0.0378(19) 0.0402(18) 0.0150(14) 0.0210(16) 0.0117(16) C15 0.0323(16) 0.0285(16) 0.0391(16) 0.0037(13) 0.0097(13) 0.0017(13) C8 0.046(2) 0.041(2) 0.064(2) 0.0217(17) 0.0322(18) 0.0129(16) C16 0.047(2) 0.050(3) 0.097(4) 0.034(2) 0.035(2) 0.0078(19) C17 0.083(3) 0.057(3) 0.079(3) 0.032(2) 0.052(3) 0.037(3) C19 0.0347(16) 0.0297(16) 0.0341(15) 0.0003(12) 0.0120(13) -0.0016(13) C24 0.045(2) 0.0319(18) 0.056(2) -0.0038(15) 0.0311(17) -0.0036(15) C23 0.044(2) 0.038(2) 0.062(2) -0.0069(17) 0.0322(18) -0.0104(16) C22 0.0415(18) 0.0300(17) 0.0451(18) -0.0092(14) 0.0204(15) -0.0079(14) C21 0.047(2) 0.040(2) 0.052(2) -0.0134(16) 0.0318(17) -0.0128(16) C20 0.0349(17) 0.0394(19) 0.0485(19) -0.0091(15) 0.0226(15) -0.0125(14) C18 0.0358(17) 0.0287(16) 0.0309(14) 0.0028(12) 0.0083(13) -0.0001(13) C29 0.046(2) 0.051(2) 0.048(2) 0.0056(17) 0.0243(17) -0.0018(17) C28 0.051(2) 0.060(3) 0.043(2) 0.0055(18) 0.0134(17) -0.0057(19) C27 0.040(2) 0.049(2) 0.050(2) -0.0031(17) 0.0122(16) -0.0141(17) C26 0.0402(18) 0.0318(18) 0.0453(18) -0.0028(14) 0.0188(15) -0.0047(14) C31 0.044(2) 0.055(2) 0.048(2) -0.0025(17) 0.0169(17) -0.0155(18) C30 0.047(2) 0.069(3) 0.052(2) -0.0002(19) 0.0227(18) -0.020(2) C32 0.058(3) 0.078(3) 0.061(3) 0.012(2) 0.031(2) -0.003(2) C25 0.0406(18) 0.0377(19) 0.0472(19) -0.0094(15) 0.0241(16) -0.0099(15) C34 0.067(3) 0.050(2) 0.047(2) -0.0084(17) 0.023(2) -0.021(2) C33 0.059(3) 0.039(2) 0.084(3) -0.016(2) 0.045(2) -0.0119(19) C35 0.054(2) 0.057(2) 0.0337(17) -0.0049(16) 0.0132(16) -0.0093(19) C36 0.070(3) 0.075(3) 0.0357(19) -0.0136(19) 0.0087(19) -0.017(2) C37 0.080(3) 0.071(3) 0.0327(19) -0.0060(19) 0.017(2) 0.004(2) C38 0.064(3) 0.058(3) 0.0362(18) 0.0024(17) 0.0232(18) 0.007(2) C39 0.053(2) 0.0342(18) 0.0358(16) 0.0027(13) 0.0200(16) 0.0076(15) C48 0.108(4) 0.092(4) 0.042(2) -0.005(2) 0.021(3) 0.008(3) C41 0.145(7) 0.088(4) 0.057(3) 0.000(3) 0.018(4) 0.017(4) C42 0.059(3) 0.079(3) 0.040(2) -0.001(2) 0.0096(19) -0.026(2) C43 0.090(4) 0.132(5) 0.041(2) 0.003(3) 0.000(2) -0.050(4) C44 0.107(4) 0.097(4) 0.035(2) 0.008(2) 0.010(3) -0.015(3) C45 0.086(4) 0.180(7) 0.036(2) 0.014(3) 0.020(2) -0.056(4) C46 0.063(3) 0.096(4) 0.0312(18) 0.003(2) 0.0106(18) -0.032(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Co1 O1 1.972(2) . ? Co1 N1 2.054(3) . ? Co1 O4 1.997(2) 2_857 ? Co1 O5 1.960(2) . ? O1 C1 1.269(4) . ? F1 C16 1.330(6) . ? N1 C35 1.337(5) . ? N1 C39 1.340(5) . ? C2 C7 1.380(5) . ? C2 C3 1.373(5) . ? C2 C1 1.497(4) . ? Co2 O2 2.192(2) 3_757 ? Co2 O2 2.192(2) . ? Co2 N2 2.152(3) 3_757 ? Co2 N2 2.152(3) . ? Co2 O6 2.053(2) 3_757 ? Co2 O6 2.053(2) . ? O2 C1 1.246(4) . ? F3 C16 1.335(5) . ? N2 C42 1.342(5) . ? N2 C46 1.305(5) . ? C7 C6 1.378(5) . ? O3 C15 1.251(4) . ? F2 C16 1.346(5) . ? C6 C5 1.391(5) . ? O4 Co1 1.997(2) 2_847 ? O4 C15 1.271(4) . ? F4 C17 1.328(5) . ? C5 C4 1.389(5) . ? C5 C8 1.532(5) . ? O5 C18 1.260(4) . ? F5 C17 1.333(5) . ? C4 C3 1.381(5) . ? O6 C18 1.247(4) . ? F6 C17 1.328(6) . ? F10 C34 1.327(5) . ? O7 C32 1.201(6) . ? F11 C34 1.336(5) . ? O8 C32 1.299(6) . ? C12 C13 1.391(5) . ? C12 C11 1.386(5) . ? C12 C15 1.488(4) . ? F12 C34 1.336(5) . ? C13 C14 1.376(5) . ? F8 C33 1.332(5) . ? C14 C9 1.394(5) . ? F7 C33 1.336(5) . ? C9 C10 1.384(5) . ? C9 C8 1.546(5) . ? F9 C33 1.320(5) . ? C10 C11 1.371(5) . ? C8 C16 1.543(6) . ? C8 C17 1.540(6) . ? C19 C24 1.383(5) . ? C19 C20 1.372(5) . ? C19 C18 1.495(4) . ? C24 C23 1.380(5) . ? C23 C22 1.387(5) . ? C22 C21 1.383(5) . ? C22 C25 1.541(5) . ? C21 C20 1.385(5) . ? C29 C28 1.382(5) . ? C29 C30 1.379(6) . ? C29 C32 1.495(5) . ? C28 C27 1.373(5) . ? C27 C26 1.387(5) . ? C26 C31 1.380(5) . ? C26 C25 1.547(5) . ? C31 C30 1.378(5) . ? C25 C34 1.538(6) . ? C25 C33 1.547(5) . ? C35 C36 1.362(5) . ? C36 C37 1.390(7) . ? C37 C38 1.382(6) . ? C37 C48 1.523(6) . ? C38 C39 1.371(5) . ? C48 C41 1.424(8) . ? C41 C44 1.559(7) 1_554 ? C42 C43 1.375(6) . ? C43 C44 1.414(8) . ? C44 C41 1.559(7) 1_556 ? C44 C45 1.352(7) . ? C45 C46 1.360(6) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Co1 N1 106.56(11) . . ? O1 Co1 O4 124.43(10) . 2_857 ? O4 Co1 N1 98.91(11) 2_857 . ? O5 Co1 O1 119.81(10) . . ? O5 Co1 N1 102.25(10) . . ? O5 Co1 O4 101.01(11) . 2_857 ? C1 O1 Co1 113.7(2) . . ? C35 N1 Co1 123.0(2) . . ? C35 N1 C39 117.5(3) . . ? C39 N1 Co1 119.4(2) . . ? C7 C2 C1 119.5(3) . . ? C3 C2 C7 118.4(3) . . ? C3 C2 C1 122.1(3) . . ? O2 Co2 O2 180.0 3_757 . ? N2 Co2 O2 91.62(10) . 3_757 ? N2 Co2 O2 88.39(10) 3_757 3_757 ? N2 Co2 O2 91.61(10) 3_757 . ? N2 Co2 O2 88.38(10) . . ? N2 Co2 N2 180.0 . 3_757 ? O6 Co2 O2 89.79(9) . 3_757 ? O6 Co2 O2 90.21(9) . . ? O6 Co2 O2 89.79(9) 3_757 . ? O6 Co2 O2 90.21(9) 3_757 3_757 ? O6 Co2 N2 93.77(10) 3_757 . ? O6 Co2 N2 86.23(10) . . ? O6 Co2 N2 86.23(10) 3_757 3_757 ? O6 Co2 N2 93.77(10) . 3_757 ? O6 Co2 O6 180.00(6) 3_757 . ? C1 O2 Co2 139.0(2) . . ? C42 N2 Co2 120.4(3) . . ? C46 N2 Co2 123.9(2) . . ? C46 N2 C42 115.7(3) . . ? C2 C7 C6 121.0(3) . . ? C7 C6 C5 121.1(3) . . ? C15 O4 Co1 103.0(2) . 2_847 ? C6 C5 C4 117.2(3) . . ? C6 C5 C8 123.1(3) . . ? C4 C5 C8 119.5(3) . . ? C18 O5 Co1 136.5(2) . . ? C3 C4 C5 121.4(3) . . ? C18 O6 Co2 140.6(2) . . ? C2 C3 C4 120.8(3) . . ? O1 C1 C2 116.2(3) . . ? O2 C1 O1 123.5(3) . . ? O2 C1 C2 120.3(3) . . ? C13 C12 C15 121.9(3) . . ? C11 C12 C13 118.0(3) . . ? C11 C12 C15 120.0(3) . . ? C14 C13 C12 120.8(3) . . ? C13 C14 C9 120.9(3) . . ? C14 C9 C8 118.8(3) . . ? C10 C9 C14 117.9(3) . . ? C10 C9 C8 122.8(3) . . ? C11 C10 C9 121.2(3) . . ? C10 C11 C12 121.1(3) . . ? O3 C15 O4 120.6(3) . . ? O3 C15 C12 121.9(3) . . ? O4 C15 C12 117.5(3) . . ? C5 C8 C9 113.6(3) . . ? C5 C8 C16 112.0(3) . . ? C5 C8 C17 106.0(3) . . ? C16 C8 C9 105.5(3) . . ? C16 C8 C17 107.8(4) . . ? C17 C8 C9 111.9(3) . . ? F1 C16 F2 106.6(4) . . ? F1 C16 C8 111.7(3) . . ? F3 C16 F1 106.9(4) . . ? F3 C16 F2 105.5(3) . . ? F3 C16 C8 112.4(4) . . ? F2 C16 C8 113.2(4) . . ? F4 C17 F5 106.6(4) . . ? F4 C17 F6 106.3(4) . . ? F4 C17 C8 114.6(4) . . ? F5 C17 C8 111.9(4) . . ? F6 C17 F5 106.0(5) . . ? F6 C17 C8 110.9(4) . . ? C24 C19 C18 119.7(3) . . ? C20 C19 C24 118.9(3) . . ? C20 C19 C18 121.4(3) . . ? C23 C24 C19 120.1(3) . . ? C24 C23 C22 121.0(3) . . ? C23 C22 C25 118.7(3) . . ? C21 C22 C23 118.6(3) . . ? C21 C22 C25 122.6(3) . . ? C22 C21 C20 119.9(3) . . ? C19 C20 C21 121.3(3) . . ? O5 C18 C19 117.3(3) . . ? O6 C18 O5 125.4(3) . . ? O6 C18 C19 117.2(3) . . ? C28 C29 C32 120.8(4) . . ? C30 C29 C28 119.5(3) . . ? C30 C29 C32 119.7(4) . . ? C27 C28 C29 119.7(4) . . ? C28 C27 C26 121.4(3) . . ? C27 C26 C25 118.5(3) . . ? C31 C26 C27 118.2(3) . . ? C31 C26 C25 123.4(3) . . ? C26 C31 C30 120.8(4) . . ? C31 C30 C29 120.3(4) . . ? O7 C32 O8 124.1(4) . . ? O7 C32 C29 122.8(4) . . ? O8 C32 C29 113.1(4) . . ? C22 C25 C26 109.8(3) . . ? C22 C25 C33 112.2(3) . . ? C26 C25 C33 106.4(3) . . ? C34 C25 C22 106.6(3) . . ? C34 C25 C26 112.8(3) . . ? C34 C25 C33 109.0(3) . . ? F10 C34 F11 106.6(4) . . ? F10 C34 F12 107.7(3) . . ? F10 C34 C25 111.1(3) . . ? F11 C34 F12 106.3(3) . . ? F11 C34 C25 111.7(3) . . ? F12 C34 C25 113.1(4) . . ? F8 C33 F7 106.1(3) . . ? F8 C33 C25 113.4(4) . . ? F7 C33 C25 111.1(3) . . ? F9 C33 F8 107.0(3) . . ? F9 C33 F7 106.9(4) . . ? F9 C33 C25 111.9(3) . . ? N1 C35 C36 123.1(4) . . ? C35 C36 C37 119.6(4) . . ? C36 C37 C48 121.7(5) . . ? C38 C37 C36 117.3(4) . . ? C38 C37 C48 121.0(5) . . ? C39 C38 C37 119.8(4) . . ? N1 C39 C38 122.6(4) . . ? C41 C48 C37 106.5(5) . . ? C48 C41 C44 113.8(5) . 1_554 ? N2 C42 C43 122.3(4) . . ? C42 C43 C44 119.7(5) . . ? C43 C44 C41 121.9(5) . 1_556 ? C45 C44 C41 124.2(6) . 1_556 ? C45 C44 C43 113.6(4) . . ? C46 C45 C44 120.9(5) . . ? N2 C46 C45 124.6(4) . . ? _shelx_estimated_absorpt_T_max 0.935 _shelx_estimated_absorpt_T_min 0.876 _shelx_hkl_checksum 76831 _shelx_hkl_file ; 0 0 2 4.49 1.20 0 0 -2 5.78 0.86 0 0 3 3.83 1.04 0 0 -3 1.28 1.08 0 0 4 566.01 10.91 0 0 -4 550.07 10.90 0 0 5 1.03 0.64 0 0 -5 0.82 0.95 0 0 6 1154.90 16.33 0 0 -6 1134.65 16.51 0 0 -7 0.68 1.50 0 0 7 1.01 0.49 0 0 -8 70.52 6.50 0 0 -8 75.49 6.04 0 0 8 69.69 6.84 0 0 -9 1.81 0.81 0 0 -9 0.55 1.33 0 0 9 0.29 0.73 0 0 -10 290.63 6.64 0 0 -10 284.99 6.63 0 0 10 293.93 8.76 0 0 -11 -0.41 1.20 0 0 -11 -0.42 1.62 0 0 11 1.15 1.06 0 0 -12 79.69 6.83 0 0 -12 96.15 9.44 0 0 12 82.94 3.84 0 0 -13 1.21 0.84 0 0 -13 6.89 3.00 0 0 13 3.88 1.42 0 0 -14 176.87 11.78 0 0 -14 173.99 8.13 0 0 14 182.60 122.22 0 0 -15 -0.17 1.32 0 0 -15 4.22 2.35 0 0 -16 25.89 4.38 0 0 -17 -2.50 2.31 0 -1 -2 1144.75 13.36 0 -1 2 1128.08 13.02 0 1 -2 1143.93 13.47 0 -1 -2 1119.08 13.12 0 -1 -2 1156.91 13.36 0 -1 -3 1571.47 18.42 0 -1 3 1558.06 18.08 0 1 -3 1557.58 18.47 0 -1 -3 1620.39 19.13 0 1 3 1584.41 18.40 0 -1 -4 578.25 7.64 0 -1 4 549.82 10.42 0 1 -4 575.49 180.35 0 -1 -4 574.38 180.00 0 1 4 575.30 180.27 0 -1 -5 1328.57 16.19 0 1 -5 1286.94 16.10 0 -1 -5 1323.11 16.50 0 1 5 1289.33 15.53 0 -1 -6 50.05 3.73 0 -1 6 51.67 3.98 0 1 -6 63.31 3.80 0 -1 -6 63.24 3.54 0 1 6 64.34 4.64 0 -1 -7 446.15 10.62 0 -1 7 469.25 10.66 0 1 -7 458.96 11.10 0 -1 -7 444.47 10.66 0 1 7 455.06 10.36 0 -1 -8 1.66 0.94 0 -1 8 2.77 0.91 0 1 -8 2.78 1.47 0 -1 -8 3.39 2.03 0 1 8 1.50 0.94 0 -1 -9 302.74 9.11 0 1 -9 311.38 9.28 0 -1 -9 319.80 10.03 0 -1 9 314.88 10.01 0 1 9 313.06 8.22 0 1 -10 18.32 3.14 0 -1 -10 18.27 2.60 0 1 -10 24.91 2.78 0 -1 -10 17.65 4.18 0 -1 10 14.44 3.47 0 1 10 17.47 3.24 0 1 -11 124.85 8.69 0 -1 -11 116.53 9.01 0 1 -11 122.73 6.56 0 -1 -11 123.51 7.60 0 -1 11 109.93 8.32 0 1 11 110.51 7.35 0 1 -12 0.83 1.41 0 -1 -12 0.99 1.28 0 1 -12 0.79 0.90 0 -1 -12 0.92 1.92 0 -1 12 -0.66 0.98 0 1 12 1.01 0.75 0 -1 -13 208.73 10.27 0 1 -13 207.57 19.61 0 -1 -13 236.00 18.53 0 -1 13 217.73 9.80 0 1 13 205.86 13.33 0 1 -14 3.20 1.99 0 -1 -14 1.76 1.89 0 1 -14 -3.59 1.97 0 -1 -14 2.33 1.61 0 -1 14 4.62 1.86 0 1 14 1.96 1.69 0 1 -15 32.79 24.80 0 -1 -15 34.00 6.27 0 1 -15 32.35 4.63 0 -1 -15 30.65 5.86 0 1 -16 3.52 2.60 0 -1 -16 3.15 2.43 0 1 -17 21.81 5.26 0 -1 -17 23.24 5.47 0 -2 -2 3994.96 1251.57 0 2 -2 3869.88 1212.38 0 -2 -2 3997.14 1252.24 0 -2 -2 4257.28 1333.74 0 2 2 4046.54 1267.72 0 -2 -3 145.72 3.44 0 -2 3 141.02 3.07 0 2 -3 149.45 4.72 0 -2 -3 148.29 3.49 0 2 3 146.51 3.26 0 -2 -4 1378.04 16.58 0 -2 4 1419.61 16.77 0 2 -4 1396.79 16.97 0 -2 -4 1370.20 16.58 0 2 4 1403.97 16.69 0 -2 -5 119.85 4.39 0 2 -5 114.69 36.02 0 -2 -5 116.54 3.76 0 2 5 120.96 5.34 0 -2 -6 2488.18 1079.31 0 -2 6 2495.27 1082.38 0 2 -6 2461.37 33.61 0 -2 -6 2430.26 33.07 0 2 6 2387.86 32.06 0 -2 -7 1.80 0.86 0 -2 7 0.90 0.66 0 2 -7 6.27 1.87 0 -2 -7 1.45 0.72 0 -2 -8 193.90 7.08 0 -2 8 217.56 8.01 0 2 -8 194.84 6.85 0 -2 -8 191.18 6.64 0 2 8 198.34 8.60 0 -2 -9 27.74 5.23 0 -2 9 25.44 4.97 0 2 -9 26.84 5.12 0 -2 -9 25.55 5.04 0 2 9 23.64 4.17 0 -2 -10 438.17 8.39 0 -2 10 429.59 8.09 0 2 -10 429.20 8.80 0 -2 -10 432.96 8.68 0 2 10 424.27 8.72 0 2 -11 7.32 2.05 0 -2 -11 16.63 2.70 0 2 -11 5.22 2.06 0 -2 -11 12.81 3.05 0 -2 11 7.10 2.89 0 2 11 14.84 2.43 0 2 -12 35.62 5.86 0 -2 -12 49.17 8.10 0 2 -12 54.47 9.53 0 -2 -12 41.30 7.36 0 -2 12 41.91 6.03 0 2 12 53.43 6.46 0 2 -13 3.78 1.35 0 -2 -13 11.03 6.35 0 2 -13 4.84 1.88 0 -2 -13 6.77 2.73 0 -2 13 2.21 1.49 0 2 13 7.92 2.38 0 2 -14 65.41 4.95 0 -2 -14 78.73 8.92 0 2 -14 77.79 11.76 0 -2 -14 60.61 12.30 0 -2 14 80.94 5.28 0 2 14 88.17 6.24 0 2 -15 2.53 0.82 0 -2 -15 0.91 1.19 0 2 -15 2.26 1.48 0 -2 -15 2.68 1.16 0 -2 -16 22.10 3.67 0 -2 -16 21.72 6.36 0 2 -17 8.39 2.63 0 -2 -17 1.65 1.78 0 -3 -1 991.71 11.69 0 -3 1 1017.97 11.83 0 -3 1 1009.98 11.71 0 3 -1 1002.38 11.63 0 -3 -1 1006.60 11.76 0 3 1 1000.78 11.72 0 -3 -2 387.79 7.49 0 -3 2 381.15 7.18 0 3 -2 379.12 7.28 0 -3 -2 383.27 7.38 0 3 2 376.58 7.16 0 -3 -3 1112.46 13.60 0 -3 3 1059.05 12.61 0 3 -3 1075.04 13.25 0 -3 -3 1087.95 13.13 0 3 3 1098.02 13.24 0 -3 -4 508.44 9.97 0 -3 4 490.58 9.38 0 3 -4 510.15 10.07 0 -3 -4 507.03 9.93 0 3 4 514.38 9.91 0 -3 -5 491.43 9.83 0 -3 5 458.48 8.98 0 3 -5 484.02 9.91 0 -3 -5 482.35 10.16 0 3 5 481.32 9.45 0 -3 -6 4.70 1.52 0 -3 6 5.24 1.15 0 -3 -6 3.99 1.51 0 3 6 2.10 0.69 0 -3 7 873.09 13.14 0 3 -7 888.80 13.83 0 -3 -7 920.03 14.10 0 3 7 905.22 13.31 0 -3 -8 12.44 2.24 0 3 -8 13.24 1.53 0 -3 -8 13.32 3.91 0 3 8 14.20 2.36 0 -3 -9 133.80 7.28 0 -3 9 145.13 7.53 0 3 -9 130.64 9.11 0 -3 -9 134.20 9.01 0 3 9 139.45 7.21 0 -3 -10 43.70 7.74 0 -3 10 43.28 2.03 0 3 -10 48.11 7.90 0 -3 -10 43.87 5.92 0 3 10 55.33 3.62 0 -3 -11 245.37 11.36 0 -3 11 244.77 12.75 0 3 -11 237.74 11.07 0 -3 -11 251.19 11.48 0 3 11 242.60 10.85 0 3 -12 0.74 0.77 0 -3 -12 1.80 1.98 0 3 -12 3.77 1.93 0 -3 -12 0.64 0.99 0 -3 12 0.50 0.92 0 3 12 1.66 1.18 0 3 -13 129.92 9.86 0 -3 -13 141.80 11.00 0 3 -13 122.39 15.85 0 -3 -13 128.79 13.19 0 3 13 137.96 8.38 0 3 -14 0.82 1.05 0 -3 -14 5.61 1.98 0 3 -14 1.12 1.19 0 -3 -14 2.36 1.48 0 -3 14 3.97 1.83 0 3 14 3.83 1.81 0 -3 -15 49.81 5.52 0 3 -15 62.41 8.29 0 -3 -15 53.05 11.19 0 -3 -16 0.44 1.72 0 3 -16 1.18 2.00 0 -3 -16 2.72 1.79 0 3 -17 8.50 3.28 0 -3 -17 6.88 2.58 0 -4 0 1434.16 16.85 0 -4 -1 710.50 8.78 0 -4 1 712.73 8.59 0 -4 1 735.42 8.75 0 4 -1 709.25 8.47 0 -4 -1 720.69 8.45 0 4 1 709.13 8.66 0 -4 -2 13.40 2.22 0 -4 2 10.74 1.36 0 4 -2 15.60 2.97 0 -4 -2 10.67 1.31 0 4 2 14.03 2.56 0 -4 -3 23.99 3.32 0 -4 3 22.41 2.80 0 4 -3 25.52 4.32 0 -4 -3 23.86 3.62 0 4 3 23.00 3.62 0 -4 -4 570.74 178.86 0 -4 4 574.09 179.92 0 4 -4 557.03 11.39 0 -4 -4 565.40 10.92 0 4 4 568.86 178.26 0 -4 -5 81.83 4.07 0 -4 5 72.04 3.50 0 4 -5 83.36 5.61 0 -4 -5 74.13 3.80 0 4 5 83.51 4.61 0 -4 -6 1458.53 20.55 0 4 -6 1475.00 21.03 0 -4 -6 1435.38 20.24 0 4 6 1461.38 20.44 0 -4 -7 1.74 1.08 0 -4 -7 1.72 1.37 0 4 7 -0.83 0.87 0 -4 -8 214.19 7.14 0 -4 8 229.55 8.02 0 4 -8 212.45 8.52 0 -4 -8 219.55 7.40 0 4 8 220.31 8.30 0 -4 -9 7.60 1.78 0 -4 9 8.35 1.92 0 4 -9 7.19 2.19 0 -4 -9 5.30 1.73 0 4 9 5.32 1.47 0 -4 -10 143.16 56.82 0 -4 10 153.01 7.28 0 4 -10 139.80 55.54 0 -4 -10 137.43 55.04 0 4 10 153.09 10.38 0 -4 -11 2.63 1.22 0 -4 11 2.05 1.45 0 4 -11 2.68 0.76 0 -4 -11 2.64 1.68 0 4 11 0.47 0.60 0 -4 -12 107.40 6.82 0 4 -12 115.21 4.34 0 -4 -12 125.68 4.39 0 4 12 120.69 6.44 0 4 -13 3.65 1.17 0 -4 -13 5.52 2.12 0 4 -13 4.33 2.41 0 -4 -13 4.43 1.87 0 -4 13 6.76 2.58 0 4 13 2.26 0.79 0 4 -14 152.87 13.59 0 -4 -14 135.15 8.61 0 4 -14 117.04 13.85 0 -4 -14 146.33 7.56 0 -4 14 141.81 10.53 0 4 14 136.52 10.77 0 -4 -15 6.00 1.74 0 4 -15 1.13 1.32 0 -4 -15 3.90 1.57 0 -4 -16 3.28 0.89 0 4 -16 5.78 2.87 0 -4 -16 5.20 2.91 0 4 -17 6.33 3.35 0 -4 -17 8.33 1.30 0 -5 0 -1.55 3.00 0 5 0 -0.66 0.48 0 -5 -1 445.38 8.67 0 -5 1 444.12 8.54 0 5 -1 451.71 8.50 0 5 1 444.93 8.69 0 -5 -2 182.30 4.53 0 -5 2 180.63 3.84 0 5 -2 183.09 4.07 0 -5 -2 184.95 3.77 0 5 2 188.47 5.24 0 -5 -3 1.98 1.11 0 -5 3 2.78 0.83 0 5 -3 2.03 1.53 0 -5 -3 1.13 0.66 0 5 3 2.50 1.14 0 -5 -4 31.29 3.92 0 -5 4 22.32 2.16 0 5 -4 24.68 2.51 0 -5 -4 21.48 2.33 0 5 4 26.62 3.18 0 -5 -5 830.88 11.07 0 -5 5 859.24 10.91 0 5 -5 857.48 11.58 0 -5 -5 828.42 10.88 0 5 5 833.80 10.74 0 -5 -6 64.53 7.28 0 -5 6 64.57 3.51 0 5 -6 70.43 6.65 0 -5 -6 64.25 5.41 0 5 6 65.03 4.80 0 -5 -7 1.19 0.85 0 -5 7 0.72 0.71 0 5 -7 -1.35 1.40 0 -5 -7 1.98 0.89 0 5 7 0.56 0.88 0 -5 -8 41.68 5.63 0 -5 8 32.82 1.67 0 5 -8 35.48 4.67 0 -5 -8 38.16 8.00 0 5 8 36.20 3.96 0 -5 -9 345.02 7.10 0 -5 9 349.51 8.49 0 5 -9 335.88 7.33 0 -5 -9 349.06 9.29 0 5 9 335.70 7.10 0 -5 -10 3.22 1.12 0 -5 10 1.82 1.21 0 5 -10 3.62 2.68 0 -5 -10 2.38 1.34 0 5 10 1.42 0.68 0 -5 -11 33.16 25.16 0 -5 11 48.50 4.46 0 5 -11 42.60 7.83 0 -5 -11 36.39 6.44 0 5 11 36.38 5.92 0 -5 -12 3.50 1.60 0 -5 12 2.41 1.31 0 5 -12 1.58 2.06 0 -5 -12 1.27 1.23 0 5 12 2.58 0.86 0 5 -13 128.23 10.08 0 -5 -13 148.71 11.42 0 5 -13 141.98 6.76 0 -5 -13 173.94 14.34 0 5 13 148.59 11.06 0 5 -14 4.03 1.74 0 -5 -14 0.86 1.06 0 5 -14 3.09 2.32 0 -5 -14 3.85 1.74 0 -5 14 1.33 0.98 0 5 14 2.88 1.21 0 -5 -15 35.43 5.53 0 5 -15 28.89 4.45 0 -5 -15 28.23 5.67 0 -5 -16 4.90 2.27 0 5 -16 0.94 2.32 0 -5 -16 3.18 1.14 0 5 -17 13.20 3.90 0 -5 -17 11.33 3.12 0 -6 0 2439.35 764.24 0 6 0 2408.07 27.34 0 -6 -1 35.86 6.17 0 -6 1 31.28 3.60 0 6 -1 23.00 2.89 0 6 1 24.95 2.33 0 6 1 32.31 3.43 0 -6 -2 53.22 2.89 0 -6 2 55.51 2.75 0 6 -2 54.92 4.05 0 -6 -2 48.33 2.38 0 6 2 59.95 3.90 0 -6 -3 2.14 0.71 0 -6 3 2.88 0.77 0 6 -3 3.00 1.21 0 -6 -3 2.45 1.00 0 6 3 0.55 0.89 0 -6 -4 341.64 8.32 0 -6 4 348.29 7.02 0 6 -4 326.63 8.06 0 -6 -4 328.04 6.77 0 6 4 330.96 6.82 0 -6 -5 219.17 7.36 0 -6 5 222.33 6.49 0 6 -5 223.48 6.75 0 -6 -5 218.65 6.76 0 6 5 221.99 6.64 0 -6 6 277.07 7.73 0 6 -6 294.86 7.56 0 -6 -6 285.32 8.06 0 6 6 278.15 7.30 0 -6 -7 1.00 0.75 0 -6 7 0.80 0.71 0 6 -7 -0.11 1.33 0 6 7 0.91 0.48 0 -6 -8 258.54 7.77 0 -6 8 265.35 7.16 0 6 -8 263.89 8.85 0 -6 -8 273.35 7.67 0 6 8 258.03 7.06 0 -6 -9 7.29 1.56 0 -6 9 7.22 2.09 0 6 -9 11.25 2.64 0 -6 -9 8.75 1.93 0 6 9 5.21 2.18 0 -6 -10 111.28 10.45 0 -6 10 122.92 5.07 0 6 -10 103.28 8.49 0 -6 -10 112.25 8.97 0 6 10 115.85 8.79 0 -6 -11 1.51 0.88 0 -6 11 0.68 0.72 0 6 -11 3.63 2.06 0 -6 -11 0.65 1.83 0 6 11 1.05 1.15 0 -6 -12 195.07 9.50 0 -6 12 168.87 6.01 0 6 -12 185.11 13.81 0 -6 -12 175.31 5.28 0 6 12 168.83 8.09 0 -6 -13 4.79 1.57 0 -6 13 12.51 3.02 0 -6 -13 4.84 2.22 0 6 13 10.30 3.26 0 6 -14 41.23 7.46 0 -6 -14 47.81 8.64 0 6 -14 64.66 8.10 0 -6 -14 57.64 12.13 0 -6 -15 0.20 0.96 0 6 -15 -0.35 2.25 0 -6 -15 3.16 1.39 0 -6 -16 34.10 6.05 0 6 -16 41.97 6.82 0 -6 -16 38.58 3.52 0 -7 0 -0.29 2.01 0 7 0 0.32 0.29 0 -7 -1 40.33 13.31 0 -7 1 40.31 13.10 0 7 -1 35.93 3.09 0 7 1 31.83 2.72 0 7 1 40.16 12.83 0 -7 -2 2.26 0.84 0 -7 2 1.50 0.60 0 7 -2 3.14 1.19 0 -7 -2 2.40 0.89 0 7 2 1.99 1.14 0 -7 -3 3.06 0.95 0 -7 3 4.26 0.96 0 7 -3 5.53 1.09 0 -7 -3 4.83 0.80 0 7 3 2.98 0.92 0 -7 -4 24.90 4.50 0 -7 4 26.56 3.63 0 7 -4 24.96 3.25 0 -7 -4 24.30 2.43 0 7 4 25.37 3.35 0 -7 -5 174.29 5.52 0 -7 5 182.78 5.51 0 7 -5 177.29 5.54 0 -7 -5 171.67 5.23 0 7 5 174.92 5.31 0 -7 -6 11.55 2.44 0 -7 6 12.69 3.09 0 7 -6 14.55 2.53 0 -7 -6 10.96 5.20 0 7 6 12.96 1.36 0 -7 -7 39.15 2.76 0 -7 7 39.06 1.62 0 7 -7 50.93 8.54 0 7 7 45.08 5.56 0 -7 -8 4.04 1.63 0 -7 8 8.19 2.46 0 7 -8 4.89 1.73 0 -7 -8 9.13 2.55 0 7 8 7.59 2.54 0 -7 -9 36.07 2.84 0 -7 9 40.32 5.34 0 7 -9 42.42 2.89 0 -7 -9 35.62 2.80 0 7 9 41.97 6.49 0 -7 -10 16.63 2.53 0 -7 10 8.90 2.26 0 7 -10 10.87 2.85 0 -7 -10 8.34 4.06 0 7 10 6.56 2.35 0 -7 -11 56.02 6.22 0 -7 11 58.09 3.56 0 7 -11 56.01 9.71 0 -7 -11 57.55 5.62 0 7 11 65.35 5.27 0 -7 -12 7.97 5.09 0 -7 12 11.92 3.37 0 7 -12 8.87 2.22 0 -7 -12 13.56 3.78 0 7 12 16.06 2.04 0 -7 -13 25.22 3.63 0 -7 13 23.16 6.06 0 7 -13 28.98 3.07 0 -7 -13 26.78 5.52 0 7 13 23.85 3.39 0 -7 -14 4.95 1.86 0 7 -14 5.17 1.87 0 -7 -14 6.93 2.30 0 -7 -15 55.99 8.13 0 7 -15 58.58 8.01 0 -7 -15 43.00 6.16 0 -7 -16 7.52 2.70 0 7 -16 8.74 3.73 0 -7 -16 7.94 2.20 0 -8 0 3.69 1.26 0 8 0 7.72 1.84 0 -8 -1 73.43 3.76 0 -8 1 72.37 3.96 0 8 1 73.72 4.20 0 -8 -2 37.10 4.85 0 -8 2 29.46 3.44 0 8 -2 38.17 3.36 0 -8 -2 30.96 2.69 0 8 2 41.52 2.90 0 -8 -3 37.65 5.77 0 -8 3 27.11 2.97 0 8 -3 33.90 4.28 0 -8 -3 29.14 2.58 0 8 3 37.75 3.80 0 -8 -4 2.17 0.85 0 -8 4 2.73 1.21 0 8 -4 5.96 1.36 0 -8 -4 2.80 0.80 0 8 4 4.72 1.25 0 -8 -5 38.86 7.20 0 -8 5 43.36 3.82 0 8 -5 40.82 6.30 0 -8 -5 34.06 2.82 0 8 5 48.63 4.94 0 -8 -6 310.77 7.93 0 -8 6 326.24 7.76 0 8 -6 309.20 7.84 0 -8 -6 313.58 7.61 0 8 6 307.83 7.59 0 -8 -7 0.82 0.76 0 -8 7 0.70 0.77 0 8 -7 0.62 0.48 0 -8 -7 1.05 1.10 0 8 7 -0.71 1.01 0 -8 -8 55.02 4.20 0 -8 8 61.08 4.05 0 8 -8 51.98 5.76 0 -8 -8 58.20 5.71 0 8 8 63.49 2.89 0 -8 -9 1.50 1.48 0 -8 9 0.59 0.78 0 8 -9 -0.63 1.74 0 -8 -9 1.50 0.94 0 8 9 -0.16 1.00 0 -8 -10 152.75 13.04 0 -8 10 161.83 7.63 0 8 -10 167.35 15.16 0 -8 -10 141.85 9.75 0 8 10 157.78 8.83 0 -8 -11 10.20 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1.47 1.09 2 -12 -8 1.40 1.07 -2 12 8 2.05 1.06 2 -12 -7 1.27 0.80 -2 -12 7 -0.24 0.97 2 12 -7 2.11 1.41 2 -12 -7 2.07 1.36 -2 12 7 0.68 1.13 2 -12 -6 15.05 7.55 -2 -12 6 19.17 4.19 2 12 -6 19.30 4.05 2 -12 -6 16.65 2.85 2 -12 -5 139.16 50.76 -2 -12 5 137.34 50.09 2 12 -5 123.78 7.50 2 -12 -5 137.51 50.06 2 -12 -4 1.31 1.22 -2 -12 4 -1.21 1.29 2 12 -4 1.76 0.98 2 -12 -4 -0.06 0.41 2 -12 -3 128.40 55.83 -2 -12 3 121.24 4.15 2 12 -3 134.30 4.54 -2 12 3 130.47 3.50 2 -12 -2 15.22 1.56 -2 -12 2 18.25 3.24 2 12 -2 12.87 1.57 2 -12 -1 3.93 1.29 -2 -12 1 2.64 1.42 2 12 -1 3.28 1.14 -2 12 1 4.79 0.97 2 -12 0 4.07 1.06 -2 -12 0 4.65 2.69 -2 12 0 6.99 1.55 2 12 0 6.37 2.55 -2 -12 -1 40.40 4.72 2 -12 1 40.36 3.81 -2 12 -1 41.33 2.76 2 12 1 36.93 2.88 -2 -12 -2 17.04 2.37 2 -12 2 22.15 6.11 2 12 2 29.76 4.86 -2 -12 -3 385.99 7.78 2 -12 3 382.33 7.11 -2 12 -3 369.55 6.39 2 12 3 372.34 7.86 -2 -12 -4 30.28 5.22 2 -12 4 21.99 3.22 -2 12 -4 25.02 3.05 -2 -12 -4 21.59 2.35 2 12 4 26.67 2.91 -2 -12 -5 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10.56 3.71 2 -13 -15 7.87 3.53 2 13 -15 11.41 2.29 2 -13 -15 9.79 2.85 2 -13 -14 33.53 3.77 -2 -13 14 26.05 6.90 2 13 -14 36.71 4.76 2 -13 -14 32.40 3.39 2 -13 -13 -0.52 1.61 -2 -13 13 -0.01 1.36 2 13 -13 1.75 2.08 2 -13 -13 -1.47 1.30 2 -13 -12 22.32 2.27 -2 -13 12 22.76 4.40 2 13 -12 25.80 5.28 2 -13 -12 17.06 3.16 -2 13 12 19.97 3.86 2 -13 -11 31.56 5.12 -2 -13 11 30.43 7.19 2 13 -11 28.64 4.32 2 -13 -11 26.29 6.05 -2 13 11 35.39 3.65 2 -13 -10 5.37 2.31 -2 -13 10 8.47 3.11 2 13 -10 4.76 1.91 2 -13 -10 4.56 1.46 -2 13 10 8.81 2.45 2 -13 -9 53.33 7.76 -2 -13 9 45.94 5.39 2 13 -9 50.80 7.84 2 -13 -9 42.55 2.36 -2 13 9 53.93 4.28 2 -13 -8 5.40 1.86 -2 -13 8 10.50 2.97 2 13 -8 7.28 2.64 2 -13 -8 10.06 2.60 -2 13 8 4.37 1.58 2 -13 -7 320.46 8.54 -2 -13 7 330.50 6.77 2 13 -7 318.48 6.80 2 -13 -7 327.86 5.83 -2 13 7 305.82 5.99 2 -13 -6 66.76 7.69 -2 -13 6 60.72 7.15 2 13 -6 72.23 6.43 2 -13 -6 58.12 2.25 2 -13 -5 18.88 4.64 -2 -13 5 15.11 1.76 2 13 -5 14.41 4.61 2 -13 -5 12.99 1.05 2 -13 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18.27 3.06 -5 -10 9 13.16 2.27 5 10 -9 6.10 4.49 5 -10 -9 16.13 3.03 5 -10 -8 1.27 1.28 -5 -10 8 0.24 0.63 5 10 -8 0.76 0.67 5 -10 -8 0.62 0.81 5 -10 -7 684.14 16.98 -5 -10 7 720.34 333.18 5 10 -7 685.11 17.29 5 -10 -7 697.44 322.53 5 -10 -6 38.08 7.81 -5 -10 6 35.94 2.55 5 10 -6 25.51 8.58 5 -10 -6 37.27 2.68 5 -10 -5 292.42 6.75 -5 -10 5 303.01 6.62 5 10 -5 291.39 6.55 5 -10 -5 295.60 4.99 -5 -10 4 1.90 1.51 5 10 -4 0.21 0.99 5 -10 -4 1.17 0.60 5 -10 -4 0.49 0.37 5 10 -4 1.14 0.81 5 -10 -3 1.84 1.09 -5 -10 3 0.86 1.26 5 -10 -3 1.81 0.37 5 -10 -3 1.43 0.68 5 10 -3 2.60 1.21 5 -10 -2 272.06 6.87 -5 -10 2 267.76 7.25 5 10 -2 279.15 9.90 5 -10 -1 197.97 5.78 -5 -10 1 193.03 7.11 5 10 -1 198.94 6.54 5 -10 0 7.36 1.49 -5 -10 0 7.66 2.13 -5 10 0 7.51 1.40 5 10 0 5.90 1.82 5 -10 1 337.63 5.71 -5 -10 -1 326.53 7.05 -5 10 -1 332.09 5.91 5 10 1 321.27 6.92 -5 -10 -2 137.91 50.29 5 -10 2 143.97 4.35 -5 10 -2 133.93 6.60 5 10 2 133.46 8.21 -5 10 -3 1.28 0.49 -5 -10 -3 0.97 1.35 5 -10 3 2.11 0.70 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76.23 7.45 5 -21 -4 16.30 2.79 -5 -21 4 14.47 4.05 5 21 -4 17.28 2.79 5 -21 -3 3.29 1.41 -5 -21 3 3.14 1.57 5 21 -3 -1.02 1.29 5 -21 -2 29.07 6.23 -5 -21 2 23.86 4.94 5 21 -2 28.36 3.69 5 -21 -1 33.24 5.88 -5 -21 1 37.53 5.01 5 21 -1 30.25 4.96 5 -21 0 20.61 3.12 -5 -21 0 7.19 2.35 5 21 0 24.52 5.47 5 -21 1 7.93 5.05 -5 -21 -1 12.48 3.15 5 21 1 19.99 3.19 -5 -21 -2 20.14 3.34 5 -21 2 18.95 1.99 5 21 2 19.17 3.48 -5 -21 -3 108.88 11.30 5 21 3 111.90 8.95 -5 -21 -4 0.81 1.27 5 21 4 -1.01 1.73 -5 -21 -5 49.00 6.60 5 21 5 43.07 29.94 -5 -21 -6 1.90 1.00 5 21 6 4.02 2.52 -5 -21 -7 22.96 3.73 5 21 7 28.94 4.76 -5 -21 -8 3.14 1.57 5 21 8 -1.91 1.78 -5 -21 -9 8.82 2.65 5 21 9 12.80 4.29 -5 -21 -10 1.50 1.42 5 21 10 2.47 1.77 5 -22 -13 3.24 1.96 -5 -22 13 4.53 1.87 5 22 -13 3.33 1.78 5 -22 -12 4.31 1.57 -5 -22 12 9.52 3.88 5 22 -12 7.53 2.73 5 -22 -11 20.68 4.37 -5 -22 11 14.99 4.50 5 22 -11 24.10 3.57 5 -22 -10 7.08 1.89 -5 -22 10 5.47 1.91 5 22 -10 6.51 2.77 5 -22 -9 4.78 1.57 -5 -22 9 8.46 2.58 5 22 -9 2.41 1.34 5 -22 -8 19.40 3.54 -5 -22 8 22.19 3.47 5 22 -8 25.56 4.66 5 -22 -7 10.29 2.75 -5 -22 7 5.13 2.57 5 22 -7 4.35 1.95 5 -22 -6 83.69 16.07 -5 -22 6 80.89 4.68 5 22 -6 90.35 9.10 5 -22 -5 138.69 14.30 -5 -22 5 149.21 10.84 5 22 -5 139.29 7.44 5 -22 -4 20.35 4.68 -5 -22 4 23.66 4.00 5 22 -4 17.28 2.61 5 -22 -3 35.81 7.71 -5 -22 3 38.59 7.28 5 22 -3 32.85 5.32 5 -22 -2 20.34 4.23 -5 -22 2 29.76 4.95 5 22 -2 27.00 4.92 5 -22 -1 22.50 4.47 -5 -22 1 32.14 4.87 5 22 -1 25.22 3.55 5 -22 0 2.99 1.68 -5 -22 0 0.99 1.62 5 22 0 0.80 1.22 5 -22 1 4.04 1.48 -5 -22 -1 2.42 1.13 5 22 1 6.90 3.06 -5 -22 -2 57.71 3.72 5 -22 2 49.08 8.22 5 22 2 59.33 10.90 -5 -22 -3 2.96 2.12 5 22 3 0.90 1.98 -5 -22 -4 63.27 12.24 5 22 4 62.24 8.02 -5 -22 -5 1.71 1.91 5 22 5 3.96 2.42 -5 -22 -6 27.75 4.46 5 22 6 27.14 6.42 -5 -22 -7 1.88 1.38 5 22 7 1.88 1.39 -5 -22 -8 23.14 6.28 5 22 8 30.76 4.18 -5 -22 -9 -0.59 1.94 5 22 9 1.78 0.90 5 -23 -13 3.97 1.68 -5 -23 13 0.16 1.51 5 23 -13 -0.90 2.13 5 -23 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18.66 4.13 5 23 7 23.00 4.50 -5 -23 -8 6.74 2.60 5 23 8 8.64 3.53 5 -24 -12 10.09 3.25 -5 -24 12 9.13 2.80 5 24 -12 17.29 3.65 5 -24 -11 3.82 2.66 -5 -24 11 4.07 1.92 5 24 -11 5.66 2.45 5 -24 -10 6.45 2.57 -5 -24 10 10.09 3.32 5 24 -10 10.33 3.49 5 -24 -9 26.90 4.33 -5 -24 9 19.93 3.77 5 24 -9 19.15 5.60 5 -24 -8 33.25 7.68 -5 -24 8 42.32 7.40 5 24 -8 39.88 5.33 5 -24 -7 39.15 5.35 -5 -24 7 30.81 3.30 5 24 -7 32.42 3.62 5 -24 -6 7.27 2.39 -5 -24 6 10.27 3.47 5 24 -6 5.38 1.77 5 -24 -5 14.89 3.35 -5 -24 5 13.52 3.92 5 24 -5 12.69 3.06 5 -24 -4 11.31 2.17 -5 -24 4 9.70 3.18 5 24 -4 6.56 2.34 5 -24 -3 -0.09 0.92 -5 -24 3 1.02 1.32 5 24 -3 2.73 1.22 5 -24 -2 8.76 2.33 -5 -24 2 11.13 2.95 5 24 -2 8.72 1.66 5 -24 -1 29.32 5.65 -5 -24 1 34.06 6.25 5 24 -1 32.86 5.77 5 -24 0 37.78 7.27 -5 -24 0 36.26 6.02 5 24 0 37.02 7.46 5 -24 1 23.31 2.39 -5 -24 -2 40.91 6.05 5 24 2 46.30 6.67 -5 -24 -3 1.93 1.40 5 24 3 -2.10 1.88 -5 -24 -4 16.49 3.99 5 24 4 21.66 16.43 -5 -24 -5 6.12 2.16 5 24 5 3.03 1.93 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10 -15 2.98 1.90 6 -10 -15 3.45 1.38 6 -10 -14 73.07 9.58 -6 -10 14 82.04 11.94 6 10 -14 78.98 12.40 6 -10 -14 63.74 8.39 6 -10 -13 5.28 1.91 -6 -10 13 12.96 2.44 6 10 -13 6.89 2.99 6 -10 -12 45.89 7.41 -6 -10 12 51.98 3.98 6 10 -12 40.02 5.67 6 -10 -12 38.45 5.01 6 -10 -11 5.82 2.30 -6 -10 11 16.55 3.61 6 10 -11 8.58 3.51 6 -10 -11 11.56 2.01 6 -10 -10 80.10 13.04 -6 -10 10 72.21 5.96 6 10 -10 74.86 12.62 6 -10 -10 86.31 6.93 6 -10 -9 57.06 9.77 -6 -10 9 48.68 4.44 6 10 -9 58.83 10.97 6 -10 -9 59.74 2.28 6 -10 -8 229.87 5.77 -6 -10 8 223.44 5.60 6 10 -8 212.22 5.75 6 -10 -8 217.69 4.78 6 -10 -7 1.82 1.08 -6 -10 7 1.22 1.39 6 10 -7 -2.36 1.60 6 -10 -7 0.77 0.84 6 -10 -6 135.26 6.44 -6 -10 6 136.76 5.95 6 10 -6 138.74 12.22 6 -10 -6 144.31 5.30 6 -10 -5 28.16 5.41 -6 -10 5 35.94 6.73 6 10 -5 28.33 6.64 6 -10 -5 34.85 2.05 6 10 -5 28.22 5.98 6 -10 -4 82.48 6.85 -6 -10 4 80.10 7.76 6 10 -4 91.96 5.28 6 -10 -4 89.41 4.25 6 10 -4 77.58 7.37 6 -10 -3 2.05 0.74 6 -10 -3 3.48 1.08 6 10 -3 5.92 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1.25 8 -4 -6 2.10 1.28 8 4 -6 2.82 1.32 -8 -4 5 -0.22 1.07 -8 4 5 2.77 1.08 8 -4 -5 2.72 0.95 8 4 -5 2.55 0.94 -8 -4 4 2.66 1.21 -8 4 4 3.21 1.38 8 4 -4 0.77 0.76 -8 -4 3 523.27 9.18 -8 4 3 553.58 9.48 8 4 -3 521.73 9.00 -8 -4 2 26.18 2.90 -8 4 2 28.20 1.37 8 4 -2 27.45 4.16 -8 -4 1 140.00 5.61 -8 4 1 143.48 5.39 8 4 -1 137.68 6.22 -8 -4 0 1.44 1.02 -8 4 0 0.13 0.39 -8 4 0 -0.19 1.30 8 4 0 1.14 1.09 8 -4 1 41.40 1.84 8 -4 1 40.88 1.11 -8 -4 -1 43.62 2.22 -8 4 -1 43.49 4.10 8 4 1 39.66 5.86 -8 -4 -2 11.41 3.89 -8 4 -2 15.99 3.36 -8 -4 -2 15.76 3.07 8 4 2 13.84 3.45 -8 -4 -3 24.58 5.24 -8 4 -3 31.80 3.03 -8 -4 -3 32.82 3.54 8 4 3 34.50 5.58 -8 -4 -4 32.93 24.29 -8 4 -4 39.36 3.04 -8 -4 -4 33.99 5.45 8 4 4 34.62 8.21 -8 -4 -5 11.16 2.34 -8 4 -5 17.16 3.57 -8 -4 -5 16.10 3.06 8 4 5 14.23 3.39 -8 4 -6 16.36 3.05 -8 -4 -6 14.16 4.00 8 -4 6 16.98 3.66 8 4 6 14.76 3.73 -8 4 -7 24.03 3.12 -8 -4 -7 19.29 11.10 8 -4 7 21.59 3.16 8 4 7 27.06 3.92 -8 4 -8 7.21 3.10 -8 -4 -8 3.36 2.45 8 -4 8 6.43 2.39 8 4 8 4.73 2.29 -8 4 -9 1.76 1.79 -8 -4 -9 4.29 3.68 8 -4 9 6.89 5.01 8 4 9 3.51 1.89 -8 4 -10 0.78 1.11 -8 -4 -10 3.31 2.24 8 -4 10 0.29 1.50 8 4 10 1.63 1.28 -8 4 -11 8.40 3.14 -8 -4 -11 7.69 6.04 8 -4 11 9.29 3.60 8 4 11 5.46 2.00 8 -5 -18 10.17 3.48 -8 -5 18 7.58 2.76 8 5 -18 6.49 2.63 8 -5 -18 4.95 2.04 8 -5 -17 -4.17 2.14 -8 -5 17 2.86 2.12 8 5 -17 0.91 2.20 8 -5 -17 1.16 1.43 8 -5 -16 4.76 1.48 -8 -5 16 6.74 2.40 8 5 -16 7.66 2.81 8 -5 -16 8.93 3.15 8 -5 -15 4.03 1.89 -8 -5 15 0.50 2.01 8 5 -15 1.95 1.27 8 -5 -15 3.81 1.51 8 -5 -14 2.03 1.61 -8 -5 14 2.29 1.13 8 5 -14 3.30 2.06 8 -5 -14 2.21 1.48 -8 -5 13 68.74 11.81 8 5 -13 63.81 38.98 8 -5 -13 50.56 8.61 -8 -5 12 20.08 3.77 -8 5 12 20.29 3.68 8 5 -12 19.28 3.84 8 -5 -12 17.87 3.78 -8 -5 11 6.04 4.12 -8 5 11 11.83 2.62 8 5 -11 6.59 2.20 8 -5 -11 4.42 1.31 -8 -5 10 -1.30 1.58 -8 5 10 1.76 1.30 8 5 -10 1.85 1.46 8 -5 -10 1.82 1.11 -8 -5 9 8.67 2.79 -8 5 9 14.57 2.10 8 5 -9 8.10 2.38 8 -5 -9 10.51 3.55 -8 -5 8 63.30 6.03 -8 5 8 65.79 3.20 8 5 -8 59.72 9.12 8 -5 -8 66.67 7.94 8 -5 -8 63.30 2.91 8 5 -8 62.18 2.95 -8 -5 7 11.57 3.38 -8 5 7 20.77 2.26 8 5 -7 11.84 3.49 8 -5 -7 13.86 3.45 8 5 -7 12.85 3.84 -8 -5 6 131.14 5.69 -8 5 6 135.46 7.04 8 5 -6 136.49 6.13 8 -5 -6 138.91 7.86 8 5 -6 138.64 5.56 -8 -5 5 40.18 4.30 -8 5 5 41.15 2.29 8 5 -5 41.90 4.39 8 -5 -5 39.33 3.94 8 5 -5 41.02 2.14 -8 -5 4 220.74 7.75 -8 5 4 217.83 7.00 8 5 -4 219.65 8.14 -8 -5 3 2.79 1.09 -8 5 3 2.67 1.01 8 5 -3 2.57 0.75 -8 -5 2 92.19 3.61 -8 5 2 96.77 3.44 8 5 -2 93.33 4.78 -8 -5 1 11.77 3.24 8 5 -1 12.71 3.36 8 -5 0 131.25 4.90 -8 -5 0 127.90 5.27 -8 5 0 130.64 5.46 8 5 0 123.65 5.88 8 -5 1 100.08 3.76 8 -5 1 97.02 3.61 -8 -5 -1 103.29 4.47 -8 5 -1 107.19 5.23 8 5 1 93.08 7.96 -8 -5 -2 0.70 0.63 -8 5 -2 -1.03 1.22 -8 -5 -2 0.38 1.39 8 5 2 0.65 0.78 -8 -5 -3 -0.27 0.72 -8 -5 -3 -2.01 1.55 8 5 3 -0.59 1.46 -8 -5 -4 1.63 1.13 -8 5 -4 3.51 0.93 -8 -5 -4 0.49 1.31 8 5 4 4.13 1.57 -8 -5 -5 7.82 2.39 -8 5 -5 8.96 2.35 -8 -5 -5 5.92 2.24 8 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28.56 4.30 -8 -6 10 1.27 1.40 -8 6 10 0.64 1.37 8 6 -10 0.81 1.21 8 -6 -10 -0.68 1.14 -8 -6 9 38.07 7.71 -8 6 9 50.00 8.60 8 6 -9 45.51 7.48 8 -6 -9 46.39 7.75 -8 -6 8 -0.04 1.77 -8 6 8 1.02 0.86 8 6 -8 -0.01 1.93 8 -6 -8 1.00 0.78 -8 -6 7 39.75 4.90 -8 6 7 37.70 2.21 8 6 -7 34.98 6.62 8 -6 -7 39.83 3.22 8 6 -7 30.74 3.38 -8 -6 6 107.66 4.89 -8 6 6 119.68 5.27 8 6 -6 107.65 4.84 8 -6 -6 108.93 4.21 8 6 -6 113.28 4.67 -8 -6 5 186.32 6.11 -8 6 5 175.40 7.63 8 6 -5 193.04 6.50 8 -6 -5 188.24 5.58 8 6 -5 188.64 5.46 -8 -6 4 1.12 1.22 -8 6 4 0.30 0.90 8 6 -4 0.17 0.53 -8 -6 3 13.97 4.65 -8 6 3 17.47 1.33 8 6 -3 15.19 7.53 8 -6 -2 21.68 3.91 -8 -6 2 20.26 4.69 8 6 -2 20.65 3.42 8 -6 -1 29.57 13.95 -8 -6 1 28.81 1.89 8 6 -1 25.63 3.93 8 -6 0 14.45 3.60 -8 -6 0 15.10 7.63 -8 6 0 17.35 3.91 8 6 0 18.53 2.87 8 -6 1 63.30 0.96 8 -6 1 62.51 0.80 -8 -6 -1 66.08 7.89 -8 6 -1 65.52 3.89 8 6 1 64.13 7.03 -8 -6 -2 9.46 2.30 -8 6 -2 6.94 1.52 8 6 2 5.42 2.04 -8 -6 -3 1.24 0.88 -8 6 -3 -1.29 1.32 -8 -6 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1.55 8 -7 1 47.25 0.58 -8 -7 -1 48.04 4.67 -8 7 -1 48.93 4.67 8 7 1 52.27 8.44 -8 -7 -2 42.44 3.59 -8 7 -2 40.36 6.61 8 7 2 37.10 7.36 -8 -7 -3 2.54 1.38 -8 7 -3 7.87 2.63 -8 -7 -3 3.79 1.55 8 7 3 3.80 1.25 -8 -7 -4 9.11 2.38 -8 7 -4 9.96 2.72 -8 -7 -4 16.51 2.96 8 7 4 5.64 2.97 -8 -7 -5 10.05 3.11 -8 7 -5 12.56 2.88 -8 -7 -5 8.10 6.74 8 7 5 13.99 3.32 -8 -7 -6 0.28 0.74 -8 7 -6 1.04 1.66 -8 -7 -6 1.92 1.58 8 7 6 2.97 1.20 -8 7 -7 13.16 2.26 -8 -7 -7 14.89 3.14 -8 7 -8 1.26 1.08 -8 -7 -8 1.72 1.96 8 7 8 2.17 1.58 -8 7 -9 1.65 1.47 -8 -7 -9 1.97 1.78 8 7 9 3.41 1.45 -8 7 -10 4.15 2.00 -8 -7 -10 3.62 2.15 8 -7 10 3.97 1.80 8 7 10 5.58 2.27 -8 7 -11 2.06 1.50 -8 -7 -11 3.12 2.23 8 -7 11 0.78 1.32 8 7 11 0.13 1.47 8 -8 -18 3.42 2.06 8 8 -18 0.42 1.11 8 -8 -18 2.47 1.99 8 -8 -17 3.38 1.72 -8 -8 17 5.22 2.59 8 8 -17 4.34 2.50 8 -8 -17 6.56 1.95 8 -8 -16 6.26 2.38 -8 -8 16 7.30 3.08 8 8 -16 8.54 3.43 8 -8 -15 50.15 7.60 -8 -8 15 42.59 5.18 8 8 -15 45.41 8.21 8 -8 -15 40.79 2.64 8 -8 -14 3.27 1.96 -8 -8 14 1.96 1.81 8 8 -14 4.56 2.92 8 -8 -14 0.58 1.51 8 -8 -13 92.89 9.91 -8 -8 13 96.15 13.47 8 8 -13 100.03 12.45 8 -8 -12 6.55 2.20 -8 -8 12 2.85 0.96 8 8 -12 4.01 2.05 8 -8 -12 4.19 1.60 8 -8 -11 0.48 1.11 -8 -8 11 -0.27 1.53 8 8 -11 -0.71 1.80 8 -8 -11 -0.98 1.16 8 -8 -10 5.70 2.19 -8 -8 10 3.73 1.66 8 8 -10 2.20 1.27 8 -8 -10 5.15 2.19 8 -8 -9 76.04 6.37 -8 -8 9 84.83 8.68 8 8 -9 75.61 9.10 8 -8 -9 79.74 3.72 8 -8 -8 2.66 1.16 -8 -8 8 -0.89 1.49 8 8 -8 -2.22 1.77 8 -8 -8 -0.39 1.03 8 -8 -7 47.54 7.64 -8 -8 7 47.07 5.35 8 8 -7 42.22 7.62 8 -8 -7 44.52 4.34 8 8 -7 41.45 7.15 8 -8 -6 17.61 2.63 -8 -8 6 17.91 3.50 8 8 -6 12.31 4.37 8 -8 -6 18.58 2.84 8 8 -6 17.30 3.44 8 -8 -5 8.04 2.36 -8 -8 5 14.85 3.52 8 8 -5 13.26 3.19 8 -8 -5 10.95 2.81 8 8 -5 10.82 2.48 8 -8 -4 62.96 2.85 -8 -8 4 58.58 27.78 8 8 -4 60.48 7.06 8 -8 -3 282.90 7.93 -8 -8 3 268.91 7.59 8 8 -3 273.48 8.11 8 -8 -2 6.88 1.74 -8 -8 2 4.71 1.54 8 8 -2 5.53 2.13 8 -8 -1 1.82 0.92 -8 -8 1 2.51 1.36 8 8 -1 -0.62 1.33 8 -8 0 11.16 2.58 -8 -8 0 17.85 3.60 -8 8 0 14.02 2.00 8 8 0 14.94 3.96 8 -8 1 33.75 1.02 -8 -8 -1 39.09 4.04 8 8 1 41.28 7.32 -8 -8 -2 3.41 1.17 -8 8 -2 2.84 1.78 8 8 2 5.67 1.89 -8 -8 -3 1.08 1.10 -8 8 -3 0.01 1.48 8 8 3 2.69 1.55 -8 -8 -4 2.27 1.45 -8 8 -4 -0.17 1.22 -8 -8 -4 -2.43 1.57 8 8 4 -0.84 1.84 -8 -8 -5 16.27 4.82 -8 8 -5 22.78 2.94 -8 -8 -5 19.96 2.47 8 8 5 18.10 4.93 -8 -8 -6 2.28 1.20 -8 8 -6 0.47 1.64 -8 -8 -6 2.88 1.22 8 8 6 0.38 1.81 -8 8 -7 18.76 2.73 -8 -8 -7 16.16 3.21 8 8 7 22.59 2.77 -8 8 -8 0.64 1.04 -8 -8 -8 -0.45 1.55 8 8 8 3.51 1.48 -8 8 -9 0.09 1.79 -8 -8 -9 1.22 1.99 8 8 9 6.00 2.22 -8 8 -10 2.67 2.91 -8 -8 -10 0.22 1.25 8 -8 10 3.73 2.21 8 8 10 2.29 1.53 -8 8 -11 -2.37 1.87 -8 -8 -11 3.65 2.17 8 -8 11 5.53 2.29 8 8 11 1.63 1.53 8 -9 -17 4.33 1.70 -8 -9 17 3.96 1.67 8 9 -17 4.03 3.02 8 -9 -17 3.51 2.23 8 -9 -16 43.32 6.02 -8 -9 16 33.30 10.14 8 9 -16 34.44 8.10 8 -9 -16 23.18 17.50 8 -9 -15 16.82 3.54 -8 -9 15 19.62 3.67 8 9 -15 16.41 3.38 8 -9 -15 16.07 4.93 8 -9 -14 37.80 5.41 -8 -9 14 40.20 8.53 8 9 -14 36.57 8.09 8 -9 -14 31.66 6.08 8 -9 -13 7.43 2.67 -8 -9 13 12.18 2.82 8 9 -13 4.28 3.50 8 -9 -12 29.15 3.84 -8 -9 12 19.64 3.71 8 9 -12 32.87 6.98 8 -9 -12 19.81 4.52 8 -9 -11 3.74 1.48 -8 -9 11 10.52 2.79 8 9 -11 4.84 1.66 8 -9 -11 3.19 1.23 8 -9 -10 1.76 1.49 -8 -9 10 1.18 1.03 8 9 -10 0.07 0.97 8 -9 -10 0.23 0.66 8 -9 -9 5.80 2.26 -8 -9 9 5.75 2.62 8 9 -9 2.93 1.94 8 -9 -9 3.05 1.39 8 -9 -8 150.66 11.81 -8 -9 8 151.49 6.45 8 9 -8 156.77 9.43 8 -9 -8 148.16 5.74 8 -9 -7 62.90 6.54 -8 -9 7 54.56 9.14 8 9 -7 48.61 9.00 8 -9 -7 53.05 4.26 8 9 -7 59.42 7.61 8 -9 -6 59.75 10.77 -8 -9 6 58.65 3.16 8 9 -6 43.78 5.29 8 -9 -6 56.16 1.85 8 9 -6 50.73 6.35 8 -9 -5 16.43 3.75 -8 -9 5 18.62 2.66 8 9 -5 17.31 3.55 8 -9 -5 17.35 2.51 8 9 -5 16.28 3.79 8 -9 -4 26.30 4.55 -8 -9 4 26.00 4.85 8 9 -4 26.72 5.73 8 -9 -3 -0.21 0.63 -8 -9 3 0.85 0.75 8 9 -3 2.27 1.47 8 -9 -2 3.08 0.98 -8 -9 2 3.52 1.73 8 9 -2 2.36 1.57 8 -9 -1 36.53 1.40 -8 -9 1 34.47 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7.68 9 -6 -10 218.59 7.60 -9 -6 9 2.83 1.26 -9 6 9 1.06 1.53 9 6 -9 1.52 1.34 9 -6 -9 1.47 1.11 -9 -6 8 268.24 8.79 -9 6 8 247.15 12.72 9 6 -8 273.99 11.37 9 -6 -8 263.44 8.41 9 6 -8 265.60 8.02 -9 -6 7 40.67 2.54 -9 6 7 43.39 7.69 9 6 -7 50.02 6.89 9 -6 -7 41.91 2.68 9 6 -7 39.24 1.95 -9 -6 6 237.35 5.72 -9 6 6 253.26 5.60 9 6 -6 255.27 7.11 9 -6 -6 250.93 5.66 9 6 -6 248.63 5.61 -9 -6 5 82.65 36.78 -9 6 5 81.36 35.84 9 -6 -5 84.05 5.32 9 6 -5 75.17 3.77 -9 -6 4 11.18 2.93 -9 6 4 10.77 2.43 9 6 -4 10.91 2.58 -9 -6 3 0.33 0.82 -9 6 3 -0.44 0.86 9 6 -3 0.11 0.52 9 -6 -2 148.36 65.23 -9 -6 2 150.91 66.33 9 6 -2 138.78 7.25 9 -6 -1 19.36 3.48 -9 -6 1 19.39 4.03 9 6 -1 20.65 3.68 9 -6 0 6.28 1.51 -9 -6 0 7.04 2.02 9 6 0 5.41 1.87 -9 -6 -1 16.32 3.49 -9 6 -1 17.63 1.85 9 6 1 18.49 3.13 -9 -6 -2 80.67 4.40 -9 6 -2 65.24 6.74 9 6 2 74.39 8.78 -9 -6 -3 0.34 0.66 -9 6 -3 1.29 1.01 -9 -6 -3 8.24 2.93 9 6 3 -1.71 1.71 -9 -6 -4 50.68 4.53 -9 6 -4 51.72 5.13 -9 -6 -4 62.22 11.71 9 6 4 50.55 9.19 -9 6 -5 2.10 1.98 -9 -6 -5 3.07 2.12 9 6 5 -0.41 1.84 -9 6 -6 7.50 2.87 -9 -6 -6 8.24 2.58 9 6 6 12.77 2.05 -9 6 -7 21.03 3.89 -9 -6 -7 16.54 12.45 9 -6 7 19.52 4.47 9 6 7 23.49 3.65 -9 6 -8 25.36 3.71 -9 -6 -8 24.74 4.99 9 -6 8 21.87 4.53 9 6 8 29.09 6.75 -9 6 -9 4.16 1.45 -9 -6 -9 4.61 2.97 9 -6 9 4.52 1.82 9 6 9 2.24 1.57 -9 6 -10 35.30 7.15 -9 -6 -10 36.61 4.58 9 -6 10 40.78 8.13 9 6 10 33.13 5.50 9 -7 -17 6.70 2.73 -9 -7 17 7.31 2.37 9 7 -17 12.72 11.16 9 -7 -17 9.02 3.33 9 -7 -16 4.18 1.81 -9 -7 16 1.37 1.21 9 7 -16 -0.86 2.39 9 -7 -15 93.16 9.76 -9 -7 15 84.09 16.76 9 7 -15 80.61 15.42 9 -7 -15 68.55 11.18 9 -7 -14 21.52 4.37 -9 -7 14 22.30 2.92 9 7 -14 10.90 8.01 9 -7 -14 19.22 5.42 9 -7 -13 38.45 4.55 -9 -7 13 33.09 5.65 9 7 -13 33.01 4.89 9 -7 -13 32.18 3.90 9 -7 -12 1.00 1.03 -9 -7 12 -1.14 1.54 9 7 -12 0.59 1.16 9 -7 -12 -1.18 1.35 9 -7 -11 120.43 10.45 -9 -7 11 129.99 7.70 9 7 -11 138.13 6.02 9 -7 -11 148.53 4.28 9 -7 -10 35.44 5.28 -9 -7 10 35.53 2.96 9 7 -10 20.99 7.30 9 -7 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3.37 9 -8 -8 107.01 4.82 -9 -8 8 111.71 5.06 9 8 -8 95.80 10.87 9 -8 -8 109.12 4.26 9 8 -8 116.66 5.58 9 -8 -7 153.93 6.49 -9 -8 7 154.80 6.00 9 8 -7 146.48 7.43 9 -8 -7 146.38 6.64 9 8 -7 145.97 4.97 9 -8 -6 48.07 3.72 -9 -8 6 38.27 4.67 9 8 -6 43.46 6.74 9 -8 -6 42.87 3.70 9 8 -6 40.28 5.49 9 -8 -5 1.13 0.81 -9 -8 5 0.24 1.35 9 -8 -5 1.92 1.28 9 8 -5 1.64 1.19 9 -8 -4 97.26 4.40 -9 -8 4 89.43 4.59 9 8 -4 93.12 5.82 9 -8 -3 15.71 3.88 -9 -8 3 19.45 3.07 9 8 -3 15.67 3.55 9 -8 -2 19.38 4.16 -9 -8 2 14.52 2.25 9 8 -2 16.13 3.45 9 -8 -1 11.39 2.24 -9 -8 1 12.82 1.38 9 8 -1 10.21 2.85 9 -8 0 20.11 1.45 -9 -8 0 15.98 3.17 9 8 0 25.47 4.98 -9 -8 -1 2.52 1.56 -9 8 -1 -1.97 1.13 9 8 1 3.42 1.20 -9 -8 -2 30.45 18.31 -9 8 -2 23.72 4.16 9 8 2 21.65 4.26 -9 -8 -3 104.79 3.80 -9 8 -3 101.45 4.50 9 8 3 120.11 12.11 -9 -8 -4 30.98 7.20 -9 8 -4 38.03 8.64 -9 -8 -4 33.52 19.76 9 8 4 41.41 6.09 -9 -8 -5 12.70 2.50 -9 8 -5 13.64 1.92 -9 -8 -5 14.38 2.84 9 8 5 17.71 2.50 -9 8 -6 12.22 2.07 -9 -8 -6 12.79 2.48 9 8 6 8.21 2.73 -9 8 -7 2.08 2.02 -9 -8 -7 4.17 3.72 9 8 7 -0.57 1.67 -9 8 -8 8.42 4.51 -9 -8 -8 12.46 3.75 9 8 8 10.98 4.29 -9 8 -9 -0.24 1.86 -9 -8 -9 3.00 2.21 9 -8 9 -0.05 2.19 9 8 9 -3.01 1.87 -9 8 -10 26.49 4.99 -9 -8 -10 27.93 5.18 9 -8 10 13.76 5.81 9 8 10 27.70 6.39 9 -9 -17 38.88 7.10 -9 -9 17 31.36 6.17 9 9 -17 35.53 4.43 9 -9 -16 1.95 1.88 -9 -9 16 1.75 1.31 9 9 -16 -1.81 2.21 9 -9 -15 8.00 2.92 -9 -9 15 4.31 2.62 9 9 -15 4.65 0.96 9 -9 -15 5.95 2.06 9 -9 -14 2.59 1.53 -9 -9 14 1.82 1.37 9 9 -14 -0.14 1.14 9 -9 -14 2.85 2.23 9 -9 -13 10.67 3.09 -9 -9 13 7.37 2.80 9 9 -13 6.80 2.41 9 -9 -13 4.93 2.12 9 -9 -12 35.70 7.12 -9 -9 12 43.61 4.64 9 9 -12 54.31 9.36 9 -9 -12 38.52 8.22 9 -9 -11 4.39 2.86 -9 -9 11 0.65 0.85 9 9 -11 2.18 2.14 9 -9 -11 2.82 1.18 9 -9 -10 1.63 1.69 -9 -9 10 3.39 1.26 9 9 -10 2.95 1.30 9 -9 -10 2.61 0.95 9 -9 -9 321.91 11.87 -9 -9 9 322.73 10.28 9 9 -9 313.24 10.18 9 -9 -9 311.14 8.94 9 -9 -8 60.35 9.09 -9 -9 8 55.81 9.60 9 9 -8 50.20 6.65 9 -9 -8 48.95 6.17 9 9 -8 52.51 6.86 9 -9 -7 170.22 6.97 -9 -9 7 190.55 17.13 9 9 -7 174.19 6.91 9 -9 -7 168.07 5.62 9 9 -7 165.08 7.00 9 -9 -6 15.27 2.81 -9 -9 6 19.47 3.56 9 9 -6 16.14 3.08 9 -9 -6 14.82 2.58 9 9 -6 14.64 3.15 9 -9 -5 10.64 2.97 -9 -9 5 9.59 2.99 9 -9 -5 12.22 2.69 9 9 -5 10.86 2.66 9 -9 -4 9.49 2.52 -9 -9 4 8.06 1.95 9 9 -4 6.94 2.32 9 -9 -3 97.84 3.65 -9 -9 3 94.12 3.95 9 9 -3 81.39 7.69 9 -9 -2 41.22 16.37 -9 -9 2 38.55 3.90 9 9 -2 45.04 9.41 9 -9 -1 12.32 2.58 -9 -9 1 16.31 3.09 9 9 -1 19.67 3.50 -9 -9 0 39.37 4.97 9 9 0 37.35 8.03 -9 -9 -1 52.57 9.13 -9 9 -1 59.70 4.39 9 9 1 54.97 10.32 -9 -9 -2 2.70 0.94 -9 9 -2 1.07 1.45 9 9 2 1.86 1.41 -9 -9 -3 58.87 3.14 -9 9 -3 54.56 3.92 9 9 3 50.21 9.88 -9 -9 -4 2.66 0.77 -9 9 -4 2.85 1.54 9 9 4 5.00 2.65 -9 -9 -5 2.25 1.11 -9 9 -5 5.32 1.62 -9 -9 -5 3.62 1.92 9 9 5 3.59 1.63 -9 9 -6 4.03 1.66 -9 -9 -6 1.87 2.00 9 9 6 3.44 1.52 -9 9 -7 19.60 2.90 -9 -9 -7 18.27 3.49 9 9 7 18.11 2.70 -9 9 -8 2.24 2.52 -9 -9 -8 -2.13 1.85 9 9 8 3.50 1.93 -9 9 -9 7.43 2.49 -9 -9 -9 2.25 1.39 9 9 9 6.73 2.04 -9 9 -10 2.14 1.44 -9 -9 -10 8.45 2.57 9 -9 10 4.99 2.07 9 9 10 8.65 2.96 9 -10 -17 -0.71 2.54 -9 -10 17 3.76 1.82 9 10 -17 2.02 1.78 9 -10 -16 31.98 4.87 -9 -10 16 25.35 5.18 9 10 -16 26.68 5.40 9 -10 -15 2.15 1.73 -9 -10 15 6.09 2.57 9 10 -15 6.63 2.63 9 -10 -14 42.14 6.47 -9 -10 14 29.88 3.29 9 10 -14 32.24 6.15 9 -10 -13 5.62 2.17 -9 -10 13 6.17 3.30 9 10 -13 2.01 2.42 9 -10 -13 2.48 1.35 9 -10 -12 77.40 9.97 -9 -10 12 74.75 7.78 9 10 -12 72.89 11.87 9 -10 -12 74.11 8.69 9 -10 -11 66.38 12.55 -9 -10 11 73.97 9.97 9 10 -11 70.61 9.81 9 -10 -11 71.85 6.95 9 -10 -10 -0.45 1.52 -9 -10 10 1.80 1.66 9 10 -10 1.22 1.37 9 -10 -10 0.64 1.03 9 -10 -9 53.23 32.56 -9 -10 9 63.28 6.68 9 10 -9 50.46 8.54 9 -10 -9 52.44 31.69 9 -10 -8 159.01 8.43 -9 -10 8 167.36 10.67 9 10 -8 152.97 16.17 9 -10 -8 165.71 7.96 9 10 -8 159.37 7.35 9 -10 -7 5.45 1.95 -9 -10 7 4.75 1.77 9 10 -7 2.40 1.52 9 -10 -7 4.15 1.08 9 10 -7 3.42 1.41 9 -10 -6 1.78 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103.62 4.45 -10 5 6 96.30 6.47 10 5 -6 99.19 9.21 10 -5 -6 101.04 3.85 10 -5 -6 106.88 4.01 10 5 -6 101.74 5.18 -10 -5 5 9.32 2.20 -10 5 5 9.07 2.55 10 5 -5 7.58 1.96 -10 -5 4 18.57 1.97 -10 5 4 18.34 3.01 10 5 -4 16.33 2.98 -10 -5 3 15.09 1.94 -10 5 3 14.25 3.59 10 5 -3 8.65 3.81 -10 -5 2 2.12 1.18 -10 5 2 4.56 1.09 10 5 -2 4.56 1.85 -10 -5 1 67.51 7.83 10 5 -1 73.58 13.11 -10 -5 0 36.19 3.14 10 5 0 36.08 6.56 -10 -5 -1 5.17 1.41 -10 5 -1 3.18 1.80 10 5 1 3.97 2.30 -10 -5 -2 1.04 0.99 -10 5 -2 1.66 1.18 10 5 2 1.57 1.37 -10 5 -3 33.16 20.69 10 5 3 32.95 6.35 -10 5 -4 -1.51 1.55 -10 -5 -4 -0.63 1.71 10 -5 4 4.28 2.15 10 5 4 0.45 1.39 -10 5 -5 7.10 2.43 -10 -5 -5 2.16 1.90 10 -5 5 3.51 2.59 10 5 5 1.71 1.80 -10 5 -6 2.06 1.93 -10 -5 -6 -1.07 1.97 10 -5 6 1.43 1.63 10 5 6 2.33 1.73 -10 5 -7 13.03 3.34 -10 -5 -7 5.69 2.49 10 -5 7 10.16 3.50 10 5 7 9.12 2.87 -10 5 -8 -0.21 1.69 -10 -5 -8 2.68 2.35 10 -5 8 2.26 1.66 10 5 8 2.21 1.86 -10 5 -9 9.34 3.39 -10 -5 -9 5.67 2.56 10 -5 9 6.99 3.83 10 5 9 7.69 6.05 10 -6 -17 -0.85 1.94 -10 -6 17 0.39 2.05 10 6 -17 4.68 2.81 10 -6 -17 3.88 1.17 10 -6 -16 6.05 2.51 -10 -6 16 3.69 2.31 10 6 -16 3.28 2.01 10 -6 -16 5.33 2.04 10 -6 -15 2.33 1.33 -10 -6 15 4.08 1.82 10 6 -15 -1.29 2.14 10 -6 -15 1.42 1.33 10 -6 -14 24.65 16.19 -10 -6 14 27.74 3.25 10 6 -14 24.46 16.32 10 -6 -14 24.99 16.51 10 -6 -13 1.60 0.96 -10 -6 13 2.55 1.46 10 6 -13 -0.18 1.88 10 -6 -13 1.41 1.25 -10 -6 12 49.14 8.81 -10 6 12 49.67 3.49 10 6 -12 41.85 24.02 10 -6 -12 46.11 8.74 -10 -6 11 13.44 3.06 -10 6 11 16.39 2.33 10 6 -11 13.30 3.04 10 -6 -11 14.81 3.31 -10 -6 10 1.61 1.56 -10 6 10 0.99 0.80 10 6 -10 -0.51 1.76 10 -6 -10 0.00 0.71 -10 -6 9 33.68 4.10 -10 6 9 34.53 6.72 10 6 -9 32.24 5.73 10 -6 -9 30.95 6.07 10 6 -9 29.24 3.42 -10 -6 8 2.02 1.41 -10 6 8 4.16 1.42 10 6 -8 1.90 1.19 10 -6 -8 1.84 0.99 10 -6 -8 2.92 1.05 10 6 -8 1.76 0.85 -10 -6 7 117.39 6.36 -10 6 7 110.46 4.60 10 6 -7 115.50 6.29 10 -6 -7 122.27 6.32 10 6 -7 113.44 83.07 -10 -6 6 24.06 4.79 -10 6 6 23.58 5.54 10 6 -6 8.78 3.19 10 -6 -6 22.72 10.69 10 6 -6 18.69 3.63 -10 -6 5 50.90 6.06 -10 6 5 52.51 3.47 10 6 -5 49.11 7.22 -10 -6 4 2.30 1.08 -10 6 4 -0.59 0.99 10 6 -4 0.64 0.74 -10 -6 3 -1.94 1.10 -10 6 3 1.78 0.88 10 6 -3 -2.35 1.52 10 -6 -2 40.08 4.09 -10 -6 2 33.89 3.66 10 6 -2 38.79 7.86 10 -6 -1 7.16 2.08 -10 -6 1 8.92 2.94 10 6 -1 5.66 2.69 -10 -6 0 64.45 7.58 10 6 0 64.04 10.11 -10 -6 -1 40.54 4.40 -10 6 -1 39.86 3.24 10 6 1 33.66 6.40 -10 -6 -2 16.49 1.79 -10 6 -2 17.25 3.12 10 6 2 16.15 4.09 -10 -6 -3 1.34 1.12 -10 6 -3 1.67 0.80 10 6 3 3.00 1.72 -10 6 -4 3.38 1.42 -10 -6 -4 0.08 1.74 10 6 4 1.79 1.85 -10 6 -5 2.55 1.70 -10 -6 -5 1.49 2.14 10 6 5 0.98 1.74 -10 6 -6 12.31 2.70 -10 -6 -6 7.39 3.59 10 -6 6 7.06 2.89 10 6 6 13.12 3.20 -10 6 -7 10.49 4.07 -10 -6 -7 6.69 2.96 10 -6 7 8.06 4.43 10 6 7 14.33 2.69 -10 6 -8 12.53 2.50 -10 -6 -8 12.86 3.18 10 -6 8 18.75 2.83 10 6 8 9.92 2.81 -10 6 -9 -2.06 1.84 -10 -6 -9 2.06 1.32 10 -6 9 -1.08 2.20 10 6 9 1.78 1.52 10 -7 -17 6.36 2.55 -10 -7 17 4.47 2.07 10 7 -17 8.00 3.40 10 -7 -17 1.35 1.65 10 -7 -16 2.51 1.68 -10 -7 16 0.60 1.63 10 7 -16 -0.14 2.22 10 -7 -16 1.44 1.50 10 -7 -15 1.21 1.20 -10 -7 15 1.13 1.93 10 7 -15 1.99 1.96 10 -7 -15 -1.04 1.37 10 -7 -14 3.27 1.27 -10 -7 14 0.76 1.43 10 7 -14 6.18 1.88 10 -7 -14 2.77 1.94 10 -7 -13 57.99 7.25 -10 -7 13 54.46 10.82 10 7 -13 46.69 8.31 10 -7 -13 51.05 8.73 10 -7 -12 34.72 4.55 -10 -7 12 34.56 3.80 10 7 -12 24.55 4.38 10 -7 -11 2.07 0.83 -10 -7 11 1.12 1.35 10 7 -11 2.59 1.94 10 -7 -11 3.61 1.42 -10 -7 10 21.04 3.50 10 7 -10 11.34 4.32 10 -7 -10 14.76 3.78 -10 -7 9 17.66 3.11 -10 7 9 15.18 3.01 10 7 -9 8.46 3.18 10 -7 -9 14.30 2.77 10 7 -9 9.87 3.24 -10 -7 8 26.10 4.00 -10 7 8 20.95 2.02 10 7 -8 20.93 4.64 10 -7 -8 26.49 3.74 10 7 -8 19.65 3.06 -10 -7 7 52.79 9.29 -10 7 7 56.85 4.76 10 7 -7 53.42 9.68 10 -7 -7 51.74 2.31 10 7 -7 49.31 4.96 -10 -7 6 19.55 3.53 -10 7 6 19.85 1.84 10 7 -6 24.57 4.41 10 -7 -6 19.98 3.30 10 7 -6 20.77 15.60 -10 -7 5 133.00 5.15 10 7 -5 125.91 5.32 10 -7 -4 3.15 1.13 -10 -7 4 2.56 1.11 10 7 -4 0.21 1.00 10 -7 -3 44.40 2.19 -10 -7 3 45.35 4.69 10 7 -3 42.39 7.22 10 -7 -2 4.78 1.48 -10 -7 2 3.22 1.71 10 7 -2 1.94 1.56 10 -7 -1 0.57 0.58 -10 -7 1 2.52 0.95 10 7 -1 0.81 1.35 -10 -7 0 6.12 2.06 10 7 0 3.34 2.04 -10 -7 -1 31.04 2.39 -10 7 -1 37.56 3.34 10 7 1 39.45 5.76 -10 -7 -2 31.15 3.40 -10 7 -2 29.20 2.25 10 7 2 36.62 5.12 -10 -7 -3 7.72 2.57 -10 7 -3 9.61 2.56 10 7 3 9.25 2.96 -10 7 -4 1.06 1.23 10 7 4 3.83 2.01 -10 7 -5 38.40 4.33 -10 -7 -5 37.97 4.08 10 7 5 36.42 5.30 -10 7 -6 14.88 4.08 -10 -7 -6 13.29 3.61 10 7 6 16.92 2.90 -10 7 -7 5.79 2.45 -10 -7 -7 5.89 2.20 10 -7 7 6.59 2.67 10 7 7 11.47 3.56 -10 7 -8 16.87 4.86 -10 -7 -8 14.99 2.71 10 -7 8 16.20 3.00 10 7 8 18.80 2.78 -10 7 -9 3.90 1.90 -10 -7 -9 2.85 2.29 10 -7 9 2.09 1.65 10 7 9 5.28 2.49 10 -8 -17 4.49 1.87 -10 -8 17 4.76 2.81 10 8 -17 6.11 3.32 10 -8 -16 4.07 1.73 -10 -8 16 3.21 2.32 10 8 -16 2.71 1.81 10 -8 -15 0.51 1.03 -10 -8 15 14.55 8.16 10 8 -15 7.22 3.98 10 -8 -15 1.61 0.86 10 -8 -14 5.19 1.65 -10 -8 14 5.12 2.02 10 8 -14 2.41 1.48 10 -8 -14 1.99 0.93 10 -8 -13 21.37 3.54 -10 -8 13 18.98 4.04 10 8 -13 13.33 3.94 10 -8 -13 18.69 3.29 10 -8 -12 61.00 9.95 -10 -8 12 66.92 7.09 10 8 -12 68.63 12.22 10 -8 -12 70.98 7.84 10 -8 -11 4.74 1.96 -10 -8 11 1.87 1.66 10 8 -11 2.94 2.06 10 -8 -11 3.94 1.48 10 -8 -10 41.77 7.48 -10 -8 10 42.50 4.69 10 8 -10 35.02 7.79 10 -8 -10 31.16 5.43 10 -8 -9 36.93 6.18 -10 -8 9 39.86 6.95 10 8 -9 37.18 8.01 10 -8 -9 34.98 6.05 10 8 -9 27.98 2.56 10 -8 -8 7.51 3.03 -10 -8 8 9.86 3.39 10 8 -8 5.65 3.10 10 -8 -8 9.46 2.60 10 8 -8 7.06 2.45 10 -8 -7 32.94 24.65 -10 -8 7 30.57 5.18 10 8 -7 32.79 24.63 10 -8 -7 32.21 5.78 10 8 -7 29.32 5.43 10 -8 -6 12.70 1.82 -10 -8 6 12.17 2.35 10 8 -6 6.04 2.27 10 -8 -6 11.96 2.51 10 8 -6 9.65 7.44 10 -8 -5 12.62 2.10 -10 -8 5 8.61 2.59 10 -8 -5 11.11 2.02 10 8 -5 12.07 2.23 10 -8 -4 79.65 5.66 -10 -8 4 80.08 6.54 10 8 -4 83.89 4.10 10 -8 -3 31.90 3.17 -10 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4.41 10 -9 -13 19.67 5.63 10 -9 -12 28.45 4.38 -10 -9 12 29.35 4.65 10 9 -12 19.10 3.58 10 -9 -12 17.42 3.90 10 -9 -11 38.25 7.42 -10 -9 11 45.95 4.30 10 9 -11 41.77 23.95 10 -9 -11 32.60 7.07 10 -9 -10 0.49 1.44 -10 -9 10 1.72 1.48 10 9 -10 3.68 1.87 10 -9 -10 1.20 0.32 10 -9 -9 39.36 7.01 -10 -9 9 38.76 4.28 10 9 -9 36.20 6.19 10 -9 -9 35.54 5.82 10 -9 -8 60.69 9.22 -10 -9 8 68.34 7.46 10 9 -8 51.20 11.78 10 -9 -8 56.61 5.03 10 9 -8 65.46 6.36 10 -9 -7 9.27 2.52 -10 -9 7 8.08 2.52 10 9 -7 4.54 2.30 10 -9 -7 5.90 1.97 10 9 -7 4.24 1.79 10 -9 -6 13.65 2.87 -10 -9 6 16.30 3.42 10 9 -6 16.32 3.02 10 -9 -6 14.19 2.60 10 9 -6 14.74 2.56 10 -9 -5 5.45 1.68 -10 -9 5 6.04 2.38 10 -9 -5 1.88 0.57 10 9 -5 4.43 3.60 10 -9 -4 51.59 4.18 -10 -9 4 49.20 10.42 10 9 -4 43.28 7.05 10 -9 -3 32.71 24.24 -10 -9 3 24.18 2.08 10 9 -3 26.74 3.78 10 -9 -2 21.26 3.99 -10 -9 2 22.64 4.29 10 9 -2 17.40 3.75 -10 -9 1 1.08 1.86 10 9 -1 1.72 1.52 -10 -9 0 9.96 3.01 10 9 0 10.68 2.77 -10 -9 -1 45.29 5.03 -10 9 -1 48.80 5.02 10 9 1 40.24 6.65 -10 -9 -2 15.72 10.00 -10 9 -2 23.00 2.99 10 9 2 19.44 3.46 -10 -9 -3 24.14 6.08 -10 9 -3 29.09 6.17 10 9 3 31.74 6.16 -10 -9 -4 56.65 7.60 -10 9 -4 55.01 7.98 10 9 4 51.64 11.66 -10 9 -5 2.16 1.53 10 9 5 2.87 3.45 -10 9 -6 7.13 2.08 -10 -9 -6 8.84 3.27 10 9 6 9.75 2.95 -10 9 -7 13.80 2.62 -10 -9 -7 10.38 3.20 10 9 7 15.16 2.85 -10 9 -8 15.38 2.59 -10 -9 -8 13.62 3.17 10 9 8 9.16 3.16 -10 9 -9 4.33 1.95 -10 -9 -9 7.06 2.78 10 -9 9 9.15 3.35 10 9 9 8.70 3.58 10 -10 -17 -1.54 2.11 -10 -10 17 2.52 1.32 10 10 -17 0.69 1.58 10 -10 -16 2.43 1.24 -10 -10 16 7.44 2.90 10 10 -16 4.98 2.20 10 -10 -15 1.93 1.61 -10 -10 15 3.92 2.18 10 10 -15 2.43 1.92 10 -10 -14 1.38 1.28 -10 -10 14 7.21 2.70 10 10 -14 5.31 1.91 10 -10 -13 3.03 2.02 -10 -10 13 2.01 2.00 10 10 -13 0.75 2.24 10 -10 -12 32.73 4.20 -10 -10 12 38.16 5.20 10 10 -12 34.83 5.97 10 -10 -11 40.54 7.43 -10 -10 11 39.99 5.30 10 10 -11 35.66 5.75 10 -10 -11 30.18 17.66 10 -10 -10 1.67 1.03 -10 -10 10 0.28 0.91 10 10 -10 -0.07 2.11 10 -10 -10 0.38 0.55 10 -10 -9 4.05 1.30 -10 -10 9 6.39 2.31 10 10 -9 7.14 2.74 10 -10 -9 6.30 1.89 10 -10 -8 97.22 9.02 -10 -10 8 93.81 5.61 10 10 -8 108.96 14.55 10 -10 -8 86.01 5.94 10 10 -8 93.59 3.18 10 -10 -7 -0.05 1.37 -10 -10 7 3.21 1.27 10 10 -7 -3.04 1.97 10 -10 -7 0.51 0.66 10 10 -7 2.39 1.29 10 -10 -6 232.77 7.91 -10 -10 6 230.34 8.76 10 10 -6 238.79 10.88 10 -10 -6 215.93 6.94 10 10 -6 233.05 7.40 10 -10 -5 22.51 5.19 -10 -10 5 21.97 4.69 10 -10 -5 21.27 4.25 10 10 -5 24.72 4.84 10 -10 -4 3.41 1.18 -10 -10 4 3.73 2.09 10 10 -4 3.68 1.42 10 -10 -3 44.22 4.06 -10 -10 3 41.38 5.01 10 10 -3 40.01 5.37 10 -10 -2 6.78 2.32 -10 -10 2 4.08 2.13 10 10 -2 5.07 2.07 -10 -10 1 20.07 2.55 10 10 -1 21.82 4.28 -10 -10 0 2.38 1.06 10 10 0 1.07 1.18 -10 -10 -1 61.08 9.29 -10 10 -1 69.60 55.90 10 10 1 60.24 11.56 -10 -10 -2 25.02 6.13 -10 10 -2 25.69 3.99 10 10 2 35.35 4.85 -10 -10 -3 52.72 6.53 -10 10 -3 50.59 9.19 10 10 3 56.39 10.99 -10 -10 -4 9.40 1.75 -10 10 -4 14.46 2.98 10 10 4 8.86 2.64 -10 10 -5 13.68 3.52 10 10 5 7.98 3.13 -10 10 -6 26.00 6.35 -10 -10 -6 27.92 3.23 10 10 6 26.90 5.17 -10 10 -7 4.23 2.42 -10 -10 -7 -2.81 2.03 10 10 7 3.80 1.95 -10 10 -8 29.47 4.29 -10 -10 -8 34.12 6.94 10 10 8 29.20 5.34 10 -11 -16 0.85 1.40 -10 -11 16 8.32 4.02 10 11 -16 4.68 1.57 10 -11 -15 0.17 1.42 -10 -11 15 2.64 1.65 10 11 -15 0.36 1.13 10 -11 -14 14.71 3.37 -10 -11 14 12.73 3.27 10 11 -14 14.21 3.93 10 -11 -13 1.96 0.95 -10 -11 13 3.13 2.01 10 11 -13 2.98 1.41 10 -11 -12 37.50 8.79 -10 -11 12 37.72 5.22 10 11 -12 35.56 8.63 10 -11 -11 3.39 2.06 -10 -11 11 4.09 3.01 10 11 -11 3.90 2.34 10 -11 -10 11.62 1.82 -10 -11 10 7.19 3.09 10 11 -10 3.12 1.58 10 -11 -9 80.34 13.54 -10 -11 9 71.77 7.06 10 11 -9 75.69 15.36 10 -11 -8 5.36 1.95 -10 -11 8 1.92 0.94 10 11 -8 4.38 2.49 10 11 -8 4.34 1.89 10 -11 -7 16.08 3.22 -10 -11 7 13.75 3.15 10 11 -7 13.95 3.57 10 -11 -7 12.10 3.00 10 11 -7 11.90 3.18 10 -11 -6 110.22 4.76 -10 -11 6 98.35 5.67 10 11 -6 92.30 14.59 10 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0.98 1.88 10 12 -14 -0.28 2.28 10 -12 -13 -0.97 2.12 -10 -12 13 2.62 1.51 10 12 -13 3.31 1.96 10 -12 -12 1.12 1.38 -10 -12 12 4.60 2.51 10 12 -12 3.39 2.73 10 -12 -11 40.79 4.25 -10 -12 11 43.11 5.74 10 12 -11 33.66 8.05 10 -12 -10 7.54 3.23 -10 -12 10 11.05 6.87 10 12 -10 5.10 2.94 10 -12 -9 16.91 3.39 -10 -12 9 11.09 2.95 10 12 -9 8.07 5.23 10 -12 -8 8.52 1.90 -10 -12 8 8.62 2.34 10 12 -8 6.02 2.52 10 12 -8 7.23 2.50 10 -12 -7 3.05 1.50 -10 -12 7 6.34 2.35 10 12 -7 3.19 2.14 10 12 -7 2.29 1.38 10 -12 -6 7.73 2.62 -10 -12 6 3.69 1.15 10 12 -6 4.43 2.10 10 12 -6 4.72 2.39 10 -12 -5 106.79 4.47 -10 -12 5 105.53 4.73 10 12 -5 97.61 10.69 10 12 -5 104.58 4.58 10 -12 -4 7.89 2.23 -10 -12 4 7.90 2.51 10 12 -4 3.00 1.31 10 -12 -3 15.36 4.52 -10 -12 3 14.56 3.08 10 12 -3 16.00 3.53 10 -12 -2 1.71 1.07 -10 -12 2 2.76 1.44 10 12 -2 1.42 1.06 -10 -12 1 112.43 4.35 10 12 -1 121.61 13.13 -10 -12 0 5.19 2.61 10 12 0 4.59 1.85 -10 -12 -1 23.53 3.85 -10 12 -1 22.48 3.75 10 12 1 23.87 3.91 -10 -12 -2 44.76 5.40 -10 12 -2 41.76 23.25 10 12 2 48.12 6.45 -10 -12 -3 13.83 3.10 -10 12 -3 14.43 4.31 10 12 3 17.42 3.72 -10 -12 -4 31.98 2.49 -10 12 -4 31.51 5.44 10 12 4 31.27 4.86 -10 12 -5 14.81 3.00 10 12 5 8.16 3.37 -10 12 -6 2.41 1.59 10 12 6 6.91 2.79 -10 12 -7 9.62 3.40 10 12 7 3.99 1.70 -10 12 -8 6.04 2.75 -10 -12 -8 5.96 3.94 10 12 8 4.54 1.70 10 -13 -16 3.14 1.45 -10 -13 16 5.52 2.34 10 13 -16 1.88 2.02 10 -13 -15 -2.85 2.24 -10 -13 15 2.12 1.08 10 13 -15 1.41 1.97 10 -13 -14 5.22 1.66 -10 -13 14 4.40 2.37 10 13 -14 7.02 2.61 10 -13 -13 1.72 1.63 -10 -13 13 0.70 1.89 10 13 -13 1.95 2.00 10 -13 -12 5.46 1.84 -10 -13 12 3.23 2.05 10 13 -12 5.14 2.83 10 -13 -11 8.68 3.11 -10 -13 11 6.27 2.98 10 13 -11 3.30 2.29 10 -13 -10 33.45 5.49 -10 -13 10 34.45 5.63 10 13 -10 39.41 6.17 10 -13 -9 4.02 1.24 -10 -13 9 2.91 1.64 10 13 -9 3.90 1.58 10 -13 -8 57.09 7.20 -10 -13 8 50.71 9.68 10 13 -8 50.24 9.80 10 13 -8 49.94 8.51 10 -13 -7 28.82 5.39 -10 -13 7 32.23 3.05 10 13 -7 33.39 20.42 10 13 -7 27.16 5.95 10 -13 -6 7.18 5.58 -10 -13 6 7.94 2.55 10 13 -6 3.30 1.04 10 13 -6 2.84 1.01 10 -13 -5 23.54 4.90 -10 -13 5 19.44 2.25 10 13 -5 15.68 4.43 10 13 -5 17.49 3.76 10 -13 -4 118.42 3.70 -10 -13 4 124.32 12.46 10 13 -4 110.00 4.39 10 -13 -3 10.86 3.30 -10 -13 3 14.64 3.66 10 13 -3 11.19 4.93 -10 -13 2 7.55 2.88 10 13 -2 10.37 3.12 -10 -13 1 17.09 2.44 10 13 -1 13.90 3.30 -10 -13 0 32.84 6.25 10 13 0 32.94 5.59 -10 -13 -1 28.11 2.67 -10 13 -1 28.47 2.71 10 13 1 32.66 4.64 -10 -13 -2 51.88 10.94 -10 13 -2 57.33 5.82 10 13 2 83.30 7.20 -10 -13 -3 48.44 7.39 -10 13 -3 38.70 8.62 10 13 3 57.31 11.52 -10 -13 -4 3.96 2.14 -10 13 -4 2.54 1.57 10 13 4 5.60 2.00 -10 -13 -5 3.11 1.58 -10 13 -5 4.48 2.03 10 13 5 1.82 1.42 -10 13 -6 3.47 1.64 10 13 6 6.78 2.61 -10 13 -7 9.77 3.20 10 13 7 15.19 3.52 -10 13 -8 3.60 1.75 10 13 8 9.10 2.69 10 -14 -16 4.51 2.32 -10 -14 16 8.76 2.73 10 14 -16 5.54 2.41 10 -14 -15 16.04 4.64 -10 -14 15 10.96 4.16 10 14 -15 10.06 4.27 10 -14 -14 6.73 2.25 -10 -14 14 4.07 1.59 10 14 -14 4.83 2.78 10 -14 -13 32.29 5.86 -10 -14 13 28.32 4.77 10 14 -13 27.03 8.11 10 -14 -12 4.76 2.80 -10 -14 12 8.05 2.80 10 14 -12 2.82 1.52 10 -14 -11 16.74 2.17 -10 -14 11 22.12 3.73 10 14 -11 22.55 3.61 10 -14 -10 29.37 4.37 -10 -14 10 29.75 3.61 10 14 -10 19.09 3.79 10 -14 -9 6.63 2.54 -10 -14 9 11.85 2.33 10 14 -9 8.59 3.23 10 -14 -8 22.82 4.51 -10 -14 8 16.53 2.77 10 14 -8 18.64 3.14 10 -14 -7 45.80 7.96 -10 -14 7 44.36 8.93 10 14 -7 38.95 8.34 10 14 -7 40.75 4.21 10 -14 -6 1.72 0.56 -10 -14 6 2.29 1.11 10 14 -6 -0.71 1.63 10 14 -6 1.44 0.86 10 -14 -5 84.92 7.49 -10 -14 5 83.32 14.21 10 14 -5 105.65 12.67 10 14 -5 93.65 3.85 10 -14 -4 9.18 2.61 -10 -14 4 10.58 2.53 10 14 -4 7.36 2.37 10 -14 -3 12.22 2.60 -10 -14 3 8.06 5.23 10 14 -3 10.31 3.46 -10 -14 2 50.03 8.48 10 14 -2 44.32 8.77 -10 -14 1 24.13 4.61 10 14 -1 21.15 3.97 -10 -14 0 19.08 3.26 10 14 0 18.28 4.35 -10 -14 -1 91.06 3.81 -10 14 -1 101.44 3.50 10 14 1 88.61 10.92 -10 -14 -2 29.66 4.14 -10 14 -2 22.14 4.53 10 14 2 26.04 5.26 -10 -14 -3 3.03 1.54 -10 14 -3 4.28 1.91 10 14 3 5.12 3.52 -10 -14 -4 3.04 1.01 -10 14 -4 2.34 0.92 10 14 4 0.25 2.51 -10 -14 -5 11.07 3.56 -10 14 -5 18.66 2.70 10 14 5 12.62 3.42 -10 14 -6 3.73 1.45 10 14 6 8.77 3.81 -10 14 -7 6.53 2.58 10 14 7 12.08 4.09 10 -15 -15 3.48 1.62 -10 -15 15 0.19 1.29 10 15 -15 4.77 3.33 10 -15 -14 8.51 3.43 -10 -15 14 12.57 4.44 10 15 -14 8.40 3.25 10 -15 -13 -0.28 2.04 -10 -15 13 -1.04 2.02 10 15 -13 1.04 1.37 10 -15 -12 34.91 7.47 -10 -15 12 32.54 6.38 10 15 -12 32.11 6.39 10 -15 -11 -2.05 1.72 -10 -15 11 1.33 1.31 10 15 -11 5.94 2.61 10 -15 -10 -0.05 0.80 -10 -15 10 0.97 2.22 10 15 -10 -0.64 1.69 10 -15 -9 -1.43 1.49 -10 -15 9 1.69 1.37 10 15 -9 2.47 1.88 10 -15 -8 48.37 6.73 -10 -15 8 38.57 4.51 10 15 -8 35.74 7.69 10 -15 -7 23.72 4.83 -10 -15 7 19.01 2.37 10 15 -7 23.46 3.71 10 15 -7 20.33 4.47 10 -15 -6 30.66 4.95 -10 -15 6 31.83 5.08 10 15 -6 25.40 3.99 10 15 -6 31.15 6.88 10 -15 -5 4.81 2.50 -10 -15 5 5.88 1.55 10 15 -5 5.12 2.03 10 15 -5 9.57 2.00 10 -15 -4 9.84 2.58 -10 -15 4 8.81 3.05 10 15 -4 10.20 2.47 10 -15 -3 20.09 4.28 -10 -15 3 22.58 5.08 10 15 -3 23.50 5.27 -10 -15 2 11.18 6.68 10 15 -2 7.09 2.80 -10 -15 1 16.23 2.81 10 15 -1 21.00 4.35 -10 -15 0 71.23 12.29 10 15 0 77.98 8.53 -10 -15 -1 3.13 2.00 10 15 1 4.38 2.22 -10 -15 -2 69.04 13.75 10 15 2 87.12 13.46 -10 -15 -3 -0.25 1.40 10 15 3 4.13 2.28 -10 -15 -4 19.68 3.47 10 15 4 25.68 4.28 -10 -15 -5 5.48 1.63 -10 15 -5 9.77 3.13 10 15 5 6.34 4.25 -10 15 -6 4.34 1.86 10 15 6 3.18 2.15 -10 15 -7 1.03 1.67 10 15 7 0.23 1.96 10 -16 -15 8.39 2.45 -10 -16 15 13.20 4.46 10 16 -15 12.42 4.99 10 -16 -14 2.87 1.01 -10 -16 14 1.14 2.29 10 16 -14 1.42 2.72 10 -16 -13 28.90 5.56 -10 -16 13 24.45 4.51 10 16 -13 23.32 17.08 10 -16 -12 8.15 2.97 -10 -16 12 1.61 1.56 10 16 -12 4.83 1.99 10 -16 -11 36.16 6.21 -10 -16 11 35.24 6.69 10 16 -11 34.52 5.96 10 -16 -10 -2.67 1.66 -10 -16 10 0.48 1.85 10 16 -10 -0.95 1.81 10 -16 -9 3.42 1.40 -10 -16 9 -0.09 1.87 10 16 -9 -0.17 1.73 10 -16 -8 44.17 6.71 -10 -16 8 36.59 3.16 10 16 -8 34.98 5.75 10 -16 -7 28.49 4.64 -10 -16 7 27.39 3.62 10 16 -7 20.60 4.54 10 16 -7 17.99 4.78 10 -16 -6 21.62 3.65 -10 -16 6 12.82 3.12 10 16 -6 24.52 5.04 10 16 -6 21.41 4.29 -10 -16 5 61.57 9.64 10 16 -5 60.90 11.65 10 16 -5 50.85 8.58 10 -16 -4 2.02 1.07 -10 -16 4 0.68 1.76 10 16 -4 -0.44 1.58 10 -16 -3 7.55 2.57 -10 -16 3 5.49 2.84 10 16 -3 6.17 2.65 -10 -16 2 27.93 5.11 10 16 -2 37.28 7.05 -10 -16 1 32.91 6.65 10 16 -1 33.90 5.16 -10 -16 0 2.14 1.64 10 16 0 3.82 1.54 -10 -16 -1 29.96 5.91 10 16 1 30.25 5.65 -10 -16 -2 1.04 0.89 10 16 2 4.69 2.05 -10 -16 -3 24.99 4.28 10 16 3 23.90 4.26 -10 -16 -4 13.68 2.00 10 16 4 3.29 2.28 -10 -16 -5 11.56 2.80 10 16 5 8.23 4.21 10 16 6 5.29 3.27 10 16 7 15.08 5.74 10 -17 -14 19.24 5.10 -10 -17 14 19.15 3.84 10 17 -14 16.76 4.29 10 -17 -13 3.73 1.69 -10 -17 13 4.92 2.75 10 17 -13 -1.64 2.14 10 -17 -12 9.20 4.72 -10 -17 12 10.87 3.33 10 17 -12 4.24 2.32 10 -17 -11 27.30 4.40 -10 -17 11 27.52 3.48 10 17 -11 19.37 5.21 10 -17 -10 16.14 3.09 -10 -17 10 15.47 3.63 10 17 -10 15.38 2.78 10 -17 -9 11.37 7.61 -10 -17 9 7.67 3.12 10 17 -9 3.31 1.68 10 -17 -8 7.47 2.21 -10 -17 8 3.44 1.54 10 17 -8 3.27 2.04 10 -17 -7 5.44 1.86 -10 -17 7 3.67 1.94 10 17 -7 2.83 2.32 10 -17 -6 55.00 11.43 -10 -17 6 63.02 11.74 10 17 -6 60.92 9.57 10 17 -6 55.59 8.74 10 -17 -5 2.88 1.52 -10 -17 5 0.71 2.22 10 17 -5 0.52 1.20 10 17 -5 0.90 1.49 10 -17 -4 17.39 2.37 -10 -17 4 17.34 2.65 10 17 -4 17.14 3.05 10 17 -4 11.32 2.22 -10 -17 3 38.41 5.63 10 17 -3 29.78 4.47 -10 -17 2 64.27 6.96 10 17 -2 80.94 10.24 -10 -17 1 -1.02 1.79 10 17 -1 1.71 1.94 -10 -17 0 28.95 4.44 10 17 0 18.30 2.49 -10 -17 -1 -0.18 1.58 10 17 1 -0.72 0.99 -10 -17 -2 13.92 3.24 10 17 2 16.78 3.10 -10 -17 -3 7.55 1.96 10 17 3 3.39 2.14 -10 -17 -4 17.21 3.31 10 17 4 15.87 4.15 -10 -17 -5 0.56 0.67 10 17 5 -1.27 2.51 10 17 6 34.55 5.01 10 -18 -14 4.62 1.76 -10 -18 14 6.22 2.82 10 18 -14 -1.99 2.24 10 -18 -13 13.51 2.88 -10 -18 13 2.71 1.88 10 18 -13 7.57 2.20 10 -18 -12 14.61 4.38 -10 -18 12 8.66 3.01 10 18 -12 7.37 2.61 10 -18 -11 6.51 2.41 -10 -18 11 9.04 3.48 10 18 -11 7.34 3.01 10 -18 -10 19.60 3.98 -10 -18 10 20.83 4.48 10 18 -10 18.68 3.80 10 -18 -9 37.91 4.91 -10 -18 9 37.94 5.91 10 18 -9 39.97 7.00 10 -18 -8 2.79 1.51 -10 -18 8 2.14 1.25 10 18 -8 5.16 2.04 10 -18 -7 14.89 4.71 -10 -18 7 14.41 2.55 10 18 -7 8.95 4.73 10 -18 -6 -0.46 1.60 -10 -18 6 1.37 1.96 10 18 -6 -2.14 1.95 10 18 -6 -0.46 1.60 10 -18 -5 36.50 8.45 -10 -18 5 44.65 5.34 10 18 -5 41.54 7.93 10 18 -5 39.32 8.01 10 -18 -4 11.50 1.93 -10 -18 4 11.40 2.85 10 18 -4 9.49 3.21 10 18 -4 13.38 2.26 -10 -18 3 18.78 5.18 10 18 -3 11.27 1.66 -10 -18 2 20.95 3.37 10 18 -2 20.40 4.37 -10 -18 1 15.89 2.97 10 18 -1 7.63 2.95 -10 -18 0 -2.92 1.71 10 18 0 2.42 1.88 -10 -18 -1 28.47 3.33 10 18 1 26.19 5.58 -10 -18 -2 2.37 1.75 10 18 2 1.86 1.32 -10 -18 -3 14.97 3.29 10 18 3 13.37 2.41 -10 -18 -4 3.31 1.28 10 18 4 3.55 1.94 -10 -18 -5 8.02 3.15 10 18 5 2.97 1.67 -10 -18 -6 2.78 1.79 10 18 6 1.90 2.35 10 -19 -13 16.83 4.82 -10 -19 13 21.55 3.51 10 19 -13 19.55 2.98 10 -19 -12 35.45 7.80 -10 -19 12 40.59 5.96 10 19 -12 39.29 5.86 10 -19 -11 1.66 1.19 -10 -19 11 -3.25 1.81 10 19 -11 0.67 0.95 10 -19 -10 19.08 3.78 -10 -19 10 27.38 21.24 10 19 -10 18.27 3.59 10 -19 -9 2.00 1.47 -10 -19 9 2.15 3.03 10 19 -9 3.29 1.42 10 -19 -8 10.49 3.63 -10 -19 8 6.92 4.65 10 19 -8 5.80 2.09 10 -19 -7 13.16 2.40 -10 -19 7 5.42 1.85 10 19 -7 7.55 2.96 10 -19 -6 19.97 3.41 -10 -19 6 16.25 3.43 10 19 -6 15.87 3.07 10 19 -6 14.81 3.47 10 -19 -5 15.88 3.01 -10 -19 5 21.67 4.17 10 19 -5 15.35 3.84 10 19 -5 16.27 11.46 10 -19 -4 14.96 4.20 -10 -19 4 24.83 4.98 10 19 -4 20.54 4.38 10 19 -4 15.92 4.16 -10 -19 3 9.82 3.43 10 19 -3 11.86 2.57 -10 -19 2 2.45 1.23 -10 -19 1 -1.33 1.70 10 19 -1 -1.60 2.14 -10 -19 0 25.99 5.47 10 19 0 28.25 5.04 -10 -19 -1 1.22 1.98 10 19 1 6.14 2.55 -10 -19 -2 17.48 13.54 10 19 2 18.34 3.45 -10 -19 -3 -1.17 1.52 10 19 3 -1.19 1.94 -10 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9.30 11 -15 -5 2.43 1.24 -11 -15 5 -0.48 1.71 11 15 -5 -0.41 1.66 11 15 -5 6.00 2.46 -11 -15 4 13.45 2.89 11 15 -4 11.25 2.11 -11 -15 3 7.60 3.13 11 15 -3 7.82 2.82 -11 -15 2 19.85 3.02 11 15 -2 18.93 4.30 -11 -15 1 10.70 3.31 11 15 -1 6.93 2.71 -11 -15 0 3.95 2.04 11 15 0 1.27 1.38 -11 -15 -1 16.16 5.76 11 15 1 18.36 4.19 -11 -15 -2 7.78 2.65 11 15 2 3.38 1.57 -11 -15 -3 4.38 1.86 11 15 3 3.23 1.68 -11 -15 -4 2.65 1.21 11 15 4 3.21 2.99 11 15 5 4.19 2.40 11 15 6 16.19 4.20 11 -16 -14 4.12 2.25 -11 -16 14 -2.01 2.23 11 16 -14 3.66 1.49 11 -16 -13 47.83 9.54 -11 -16 13 58.31 47.91 11 16 -13 53.43 8.66 11 -16 -12 13.06 2.74 -11 -16 12 15.36 3.60 11 16 -12 14.61 2.90 11 -16 -11 4.70 2.23 -11 -16 11 7.59 4.23 11 16 -11 4.85 2.30 11 -16 -10 18.52 3.16 -11 -16 10 17.92 4.11 11 16 -10 7.91 3.05 11 -16 -9 13.53 3.66 -11 -16 9 8.38 3.19 11 16 -9 8.81 3.32 11 -16 -8 19.79 3.19 -11 -16 8 12.25 2.67 11 16 -8 19.74 2.82 11 -16 -7 7.70 3.22 -11 -16 7 13.74 2.63 11 16 -7 6.95 2.98 11 16 -7 12.73 3.48 11 -16 -6 49.80 9.94 -11 -16 6 46.30 8.85 11 16 -6 54.75 7.29 11 16 -6 47.34 9.32 11 -16 -5 5.14 1.81 -11 -16 5 3.42 1.99 11 16 -5 7.05 3.11 11 16 -5 4.17 2.21 -11 -16 4 19.22 3.15 11 16 -4 11.81 3.13 -11 -16 3 59.60 8.12 11 16 -3 62.48 10.27 -11 -16 2 4.54 1.80 11 16 -2 2.02 1.50 -11 -16 1 3.05 1.93 11 16 -1 -0.02 1.96 -11 -16 0 11.24 7.95 11 16 0 8.08 2.97 -11 -16 -1 3.60 1.91 11 16 1 2.98 2.25 -11 -16 -2 4.10 1.22 11 16 2 7.75 3.10 -11 -16 -3 0.89 1.23 11 16 3 1.16 2.10 -11 -16 -4 9.20 2.87 11 16 4 7.30 2.15 11 16 5 1.21 1.21 11 -17 -14 24.29 4.56 -11 -17 14 21.43 5.37 11 17 -14 20.73 4.48 11 -17 -13 15.31 4.27 -11 -17 13 8.03 2.45 11 17 -13 7.18 2.83 -11 -17 12 14.66 4.04 11 17 -12 9.44 2.90 11 -17 -11 7.88 2.62 -11 -17 11 2.70 1.39 11 17 -11 1.63 1.53 11 -17 -10 23.90 4.83 -11 -17 10 24.37 3.58 11 17 -10 22.85 4.04 11 -17 -9 12.41 2.97 -11 -17 9 11.55 2.86 11 17 -9 12.17 3.19 11 -17 -8 20.16 4.30 -11 -17 8 27.88 3.47 11 17 -8 15.02 4.70 11 -17 -7 33.50 6.14 -11 -17 7 34.36 5.09 11 17 -7 33.03 4.67 11 17 -7 27.12 6.59 11 -17 -6 21.40 4.48 -11 -17 6 24.71 4.33 11 17 -6 22.92 15.64 11 17 -6 20.47 4.85 11 -17 -5 31.03 5.80 -11 -17 5 30.07 3.98 11 17 -5 34.56 4.59 11 17 -5 24.80 3.97 -11 -17 4 2.45 1.65 11 17 -4 2.08 1.44 -11 -17 3 3.30 1.93 11 17 -3 4.59 3.30 -11 -17 2 7.72 3.07 11 17 -2 2.83 1.80 -11 -17 1 18.40 2.99 11 17 -1 14.91 4.09 -11 -17 0 6.57 5.23 11 17 0 8.56 3.50 -11 -17 -1 1.33 1.21 11 17 1 3.16 1.98 -11 -17 -2 4.99 1.49 11 17 2 4.38 1.64 -11 -17 -3 16.37 2.89 11 17 3 18.72 3.78 11 17 4 -0.04 2.15 11 17 5 8.03 2.46 11 -18 -13 15.83 5.95 -11 -18 13 5.03 2.96 11 18 -13 8.89 4.67 11 -18 -12 10.57 3.32 -11 -18 12 10.91 3.86 11 18 -12 10.61 3.90 11 -18 -11 26.20 4.19 -11 -18 11 24.33 3.45 11 18 -11 22.18 5.39 11 -18 -10 14.87 2.70 -11 -18 10 10.14 4.60 11 18 -10 12.36 9.81 11 -18 -9 35.32 5.52 -11 -18 9 37.71 5.80 11 18 -9 39.41 5.03 11 -18 -8 13.69 2.99 -11 -18 8 11.85 3.67 11 18 -8 17.21 3.20 11 -18 -7 32.66 24.72 -11 -18 7 36.34 4.50 11 18 -7 40.08 5.43 11 18 -7 32.72 25.73 11 -18 -6 30.46 5.41 -11 -18 6 36.80 3.48 11 18 -6 23.90 5.06 11 18 -6 26.10 4.83 11 -18 -5 15.44 3.37 -11 -18 5 15.58 3.08 11 18 -5 22.81 4.17 11 18 -5 22.09 2.83 -11 -18 4 40.26 6.33 11 18 -4 39.08 7.03 11 18 -4 35.87 6.71 -11 -18 3 12.23 2.69 11 18 -3 7.81 2.64 -11 -18 2 14.48 3.22 11 18 -2 14.31 3.89 -11 -18 1 4.86 2.10 11 18 -1 4.90 2.04 -11 -18 0 2.88 1.28 11 18 0 2.68 2.21 -11 -18 -1 1.23 1.41 11 18 1 1.22 1.48 -11 -18 -2 17.09 2.67 11 18 2 14.07 3.98 -11 -18 -3 -0.53 1.59 11 18 3 2.02 1.65 -11 -18 -4 14.14 4.13 11 18 4 15.17 4.33 11 -19 -13 7.65 2.11 -11 -19 13 4.83 2.83 11 19 -13 5.01 2.90 11 -19 -12 27.89 6.45 -11 -19 12 26.08 4.43 11 19 -12 26.47 2.41 11 -19 -11 25.46 4.93 -11 -19 11 31.19 4.20 11 19 -11 22.01 4.33 11 -19 -10 6.24 2.01 -11 -19 10 10.81 8.09 11 19 -10 13.82 2.43 11 -19 -9 14.07 3.97 -11 -19 9 14.78 3.14 11 19 -9 13.19 4.70 11 -19 -8 22.18 4.11 -11 -19 8 27.24 21.47 11 19 -8 34.21 5.92 11 -19 -7 24.13 3.62 -11 -19 7 23.48 3.64 11 19 -7 18.90 5.90 11 -19 -6 25.56 4.02 -11 -19 6 29.66 3.87 11 19 -6 19.09 5.62 11 19 -6 19.90 4.23 -11 -19 5 30.95 4.77 11 19 -5 29.35 5.90 11 19 -5 33.55 8.09 -11 -19 4 5.86 1.80 11 19 -4 4.19 1.70 11 19 -4 4.61 1.54 -11 -19 3 6.79 2.64 11 19 -3 6.19 3.04 -11 -19 2 -0.97 1.86 11 19 -2 0.79 0.91 -11 -19 1 4.49 2.08 11 19 -1 3.89 1.87 -11 -19 0 3.13 1.14 11 19 0 4.46 1.78 -11 -19 -1 20.66 6.40 11 19 1 27.22 5.53 -11 -19 -2 4.37 1.19 11 19 2 -1.17 1.94 -11 -19 -3 10.95 3.31 11 19 3 5.13 2.15 -11 -19 -4 -0.40 1.58 11 19 4 1.71 2.39 11 -20 -12 4.63 1.29 -11 -20 12 3.38 2.60 11 20 -12 5.16 2.33 11 -20 -11 1.69 1.76 -11 -20 11 -0.09 2.07 11 20 -11 -0.49 2.06 11 -20 -10 11.59 4.42 -11 -20 10 8.45 2.75 11 20 -10 5.98 2.49 11 -20 -9 29.00 3.78 -11 -20 9 19.47 3.92 11 20 -9 20.58 3.55 11 -20 -8 22.57 4.63 -11 -20 8 22.92 3.73 11 20 -8 21.65 3.66 11 -20 -7 11.52 3.85 -11 -20 7 10.59 3.49 11 20 -7 13.82 3.93 11 -20 -6 23.92 3.83 -11 -20 6 24.43 4.54 11 20 -6 21.95 5.70 11 20 -6 21.22 4.41 -11 -20 5 2.16 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23.21 5.23 12 -1 -10 24.49 3.97 -12 -1 9 107.09 10.78 -12 1 9 111.93 4.50 12 1 -9 105.06 4.62 12 -1 -9 103.59 12.70 -12 -1 8 31.75 4.89 -12 1 8 25.40 5.78 12 -1 -8 24.96 5.16 12 1 -8 21.76 4.81 -12 -1 7 27.42 5.32 -12 1 7 25.76 3.70 12 1 -7 26.93 4.28 12 -1 -7 26.64 4.98 12 -1 -7 20.79 4.30 12 1 -7 19.89 3.09 -12 -1 6 1.80 1.58 -12 1 6 1.84 1.71 12 -1 -6 -0.08 0.83 12 1 -6 -0.18 1.06 -12 -1 5 166.37 4.13 -12 1 5 161.25 4.22 12 -1 -5 162.06 4.23 12 1 -5 157.32 6.32 -12 -1 4 1.56 0.86 -12 1 4 1.18 0.92 12 -1 -4 -0.08 1.18 12 1 -4 2.45 1.19 -12 -1 3 78.27 3.02 -12 1 3 73.31 6.27 12 -1 -3 71.57 6.18 12 1 -3 75.01 3.38 -12 -1 2 0.24 0.83 -12 1 2 1.16 0.71 12 -1 -2 1.65 1.10 12 1 -2 0.53 2.10 12 -1 -1 18.28 3.41 12 1 -1 19.05 3.35 12 -1 0 1.24 1.52 12 1 0 2.68 1.10 12 -1 1 32.04 7.59 12 1 1 35.99 5.04 12 -1 2 6.34 2.66 12 1 2 5.03 3.83 12 -1 3 41.26 6.47 12 1 3 40.16 7.04 -12 1 -4 1.67 1.16 -12 -1 -4 3.48 1.84 12 -1 4 1.93 1.59 12 1 4 1.44 1.60 -12 1 -5 23.38 3.11 -12 -1 -5 21.18 2.95 12 -1 5 23.15 5.79 12 1 5 30.76 5.70 -12 1 -6 2.37 1.16 -12 -1 -6 1.64 1.42 12 -1 6 0.97 1.82 12 1 6 -0.18 1.56 -12 1 -7 5.92 2.22 -12 -1 -7 4.49 1.23 12 -1 7 5.30 2.54 12 1 7 3.19 2.02 -12 -2 17 6.83 2.76 -12 2 17 1.61 1.28 12 2 -17 0.60 2.45 12 -2 -17 1.55 1.40 -12 -2 16 28.37 6.35 -12 2 16 24.22 6.92 12 2 -16 17.35 3.21 12 -2 -16 23.24 3.72 -12 -2 15 -0.63 2.07 -12 2 15 1.08 1.72 12 2 -15 4.08 3.56 12 -2 -15 0.89 1.37 -12 -2 14 55.69 5.87 -12 2 14 59.33 12.44 12 2 -14 57.76 12.38 12 -2 -14 58.56 10.93 -12 -2 13 4.43 1.77 -12 2 13 -1.59 1.95 12 2 -13 1.54 1.18 12 -2 -13 -0.49 1.77 -12 -2 12 84.13 5.24 -12 2 12 92.08 5.97 12 2 -12 67.94 12.88 12 -2 -12 85.69 9.86 -12 -2 11 26.88 5.21 -12 2 11 27.88 3.23 12 2 -11 22.34 3.94 12 -2 -11 22.83 3.66 -12 -2 10 190.43 10.80 -12 2 10 190.34 9.17 12 2 -10 194.92 11.78 12 -2 -10 200.34 7.81 -12 -2 9 21.63 5.02 -12 2 9 28.21 2.84 12 2 -9 34.14 5.18 12 -2 -9 22.20 4.17 -12 -2 8 28.94 7.76 -12 2 8 34.69 2.67 12 2 -8 33.32 9.10 12 -2 -8 37.55 5.90 12 2 -8 31.88 3.54 -12 -2 7 12.39 3.44 -12 2 7 19.01 2.36 12 2 -7 6.50 3.23 12 -2 -7 11.95 2.93 12 -2 -7 13.16 3.71 12 2 -7 13.49 3.04 -12 -2 6 18.53 4.25 -12 2 6 22.71 4.01 12 -2 -6 17.86 3.90 12 2 -6 18.20 3.99 -12 -2 5 2.20 1.03 -12 2 5 1.12 1.23 12 -2 -5 0.32 1.26 12 2 -5 0.74 0.98 -12 -2 4 56.01 8.25 -12 2 4 60.13 3.79 12 -2 -4 62.72 4.99 12 2 -4 55.85 8.88 -12 -2 3 32.54 4.86 -12 2 3 36.93 2.48 12 -2 -3 32.88 6.46 12 2 -3 33.07 5.68 -12 -2 2 62.06 3.64 -12 2 2 55.06 2.13 12 -2 -2 55.39 9.78 -12 -2 1 17.88 1.71 12 -2 -1 20.33 2.64 12 2 -1 16.27 3.12 12 -2 0 25.99 4.93 12 2 0 34.40 4.77 12 -2 1 5.68 1.76 12 2 1 7.14 3.08 12 -2 2 52.42 11.13 12 2 2 54.82 10.87 12 -2 3 2.39 1.16 12 2 3 4.99 2.12 -12 2 -4 46.12 3.51 12 -2 4 39.20 6.44 12 2 4 44.25 8.62 -12 2 -5 1.32 1.93 -12 -2 -5 -1.34 1.89 12 -2 5 3.74 2.00 12 2 5 3.03 1.38 -12 2 -6 4.34 1.80 -12 -2 -6 3.23 2.05 12 -2 6 3.57 1.64 12 2 6 4.40 2.08 -12 2 -7 2.44 1.91 -12 -2 -7 2.57 2.21 12 -2 7 2.46 1.79 12 2 7 2.26 1.58 -12 -3 17 47.83 11.25 -12 3 17 61.90 10.15 12 3 -17 37.05 9.34 12 -3 -17 39.35 10.35 -12 -3 16 2.25 1.39 -12 3 16 6.07 2.94 12 3 -16 5.14 3.31 12 -3 -16 4.21 1.40 -12 -3 15 27.99 4.27 -12 3 15 29.81 4.85 12 3 -15 23.84 4.62 12 -3 -15 27.48 5.34 -12 -3 14 -0.52 1.70 -12 3 14 1.73 1.22 12 3 -14 -0.65 1.94 12 -3 -14 3.12 1.14 -12 -3 13 70.47 6.85 -12 3 13 60.01 11.27 12 3 -13 65.89 12.22 12 -3 -13 59.92 10.96 -12 -3 12 4.53 2.30 -12 3 12 2.07 1.36 12 3 -12 1.40 1.50 12 -3 -12 1.58 1.43 -12 -3 11 143.45 8.03 -12 3 11 146.67 7.15 12 3 -11 147.23 6.68 12 -3 -11 130.51 8.05 -12 -3 10 3.12 1.07 -12 3 10 3.13 1.45 12 3 -10 -1.29 2.08 12 -3 -10 2.12 1.13 -12 -3 9 94.52 9.32 -12 3 9 93.45 3.91 12 3 -9 80.09 11.38 12 -3 -9 92.48 3.73 -12 -3 8 17.40 4.38 -12 3 8 15.89 2.76 12 3 -8 15.97 3.28 12 -3 -8 14.36 3.86 12 3 -8 14.72 4.01 -12 -3 7 65.91 6.09 -12 3 7 65.10 11.17 12 3 -7 63.40 11.88 12 -3 -7 67.42 6.34 12 -3 -7 67.24 2.85 12 3 -7 63.98 8.37 -12 -3 6 19.63 4.42 -12 3 6 25.49 2.38 12 -3 -6 17.84 3.90 12 3 -6 17.31 2.26 -12 -3 5 4.82 1.38 -12 3 5 2.37 0.71 12 -3 -5 4.56 1.58 12 3 -5 3.26 1.03 -12 -3 4 21.66 1.87 -12 3 4 20.31 2.31 12 -3 -4 21.94 4.84 12 3 -4 18.62 3.34 -12 -3 3 38.34 2.34 -12 3 3 33.91 7.08 12 -3 -3 36.92 7.56 12 3 -3 35.51 6.57 -12 -3 2 1.48 1.28 12 -3 -2 -0.27 1.69 -12 -3 1 86.23 3.40 12 -3 -1 86.36 6.83 12 3 -1 78.61 13.94 12 -3 0 3.62 1.95 12 3 0 4.62 1.84 12 -3 1 142.48 8.96 12 3 1 131.10 7.26 12 -3 2 2.30 1.72 12 3 2 -1.27 1.81 -12 3 -3 23.89 2.85 12 -3 3 22.73 3.72 12 3 3 16.64 10.84 -12 3 -4 0.11 1.80 12 -3 4 -0.97 1.76 12 3 4 -3.15 1.71 -12 3 -5 24.65 4.46 -12 -3 -5 30.28 3.82 12 -3 5 18.69 3.50 12 3 5 28.01 4.39 -12 3 -6 -0.58 1.83 -12 -3 -6 2.24 1.92 12 -3 6 -0.09 2.05 12 3 6 2.60 1.64 -12 3 -7 4.51 2.42 -12 -3 -7 -0.04 1.89 12 -3 7 3.90 2.68 12 3 7 5.40 3.01 12 -4 -17 4.66 1.55 -12 -4 17 5.53 2.37 12 4 -17 2.27 1.37 12 -4 -17 2.21 0.94 -12 -4 16 41.87 4.61 -12 4 16 30.47 6.08 12 4 -16 21.91 6.21 12 -4 -16 23.35 3.92 -12 -4 15 9.32 3.09 -12 4 15 12.26 1.82 12 4 -15 8.36 3.74 12 -4 -15 12.58 2.41 -12 -4 14 46.98 8.28 -12 4 14 49.13 5.42 12 4 -14 50.97 10.80 12 -4 -14 42.50 10.43 -12 -4 13 -0.15 1.54 -12 4 13 2.73 2.47 12 4 -13 8.31 3.03 12 -4 -13 2.94 1.55 -12 -4 12 46.52 7.40 -12 4 12 44.50 8.25 12 -4 -12 46.94 7.19 -12 -4 11 0.72 0.95 -12 4 11 -0.63 1.35 12 4 -11 1.32 1.63 12 -4 -11 1.90 1.17 -12 -4 10 125.75 12.59 -12 4 10 129.57 8.73 12 4 -10 121.66 8.88 12 -4 -10 116.80 5.80 -12 -4 9 2.67 1.66 -12 4 9 1.24 0.56 12 4 -9 2.21 1.97 12 -4 -9 1.95 1.24 -12 -4 8 24.64 5.89 -12 4 8 30.33 7.50 12 4 -8 25.52 5.49 12 -4 -8 20.79 4.54 12 4 -8 23.56 3.95 -12 -4 7 0.94 1.49 -12 4 7 2.70 1.18 12 4 -7 1.15 1.13 12 -4 -7 1.31 1.11 12 -4 -7 -0.53 0.88 12 4 -7 1.80 1.77 -12 -4 6 1.44 1.02 -12 4 6 2.11 1.13 12 -4 -6 1.96 1.03 12 -4 -6 -0.48 1.06 12 4 -6 2.57 0.89 -12 -4 5 6.17 2.12 -12 4 5 7.33 2.07 12 -4 -5 5.69 1.59 12 4 -5 5.05 1.69 -12 -4 4 70.41 11.27 -12 4 4 83.00 2.74 12 -4 -4 79.31 3.35 12 4 -4 82.89 7.53 -12 -4 3 118.89 9.93 -12 4 3 128.51 5.53 12 -4 -3 114.57 3.84 12 4 -3 113.45 6.70 -12 -4 2 12.12 2.55 12 -4 -2 11.06 3.28 -12 -4 1 7.40 2.10 12 -4 -1 8.69 2.76 12 4 -1 6.55 2.48 12 -4 0 100.80 10.57 12 4 0 82.98 15.93 12 -4 1 4.35 3.12 12 4 1 5.84 1.90 12 -4 2 46.34 8.35 12 4 2 34.10 6.84 -12 4 -3 -1.64 1.83 12 -4 3 -0.05 1.37 12 4 3 1.11 1.19 -12 4 -4 14.13 3.71 12 -4 4 14.77 3.53 12 4 4 18.07 4.28 -12 4 -5 1.80 1.76 12 -4 5 1.26 1.64 12 4 5 1.79 1.19 -12 4 -6 19.77 3.44 -12 -4 -6 20.85 17.48 12 -4 6 19.71 4.44 12 4 6 20.11 16.92 -12 4 -7 -0.13 1.72 -12 -4 -7 0.48 1.99 12 -4 7 4.75 2.12 12 4 7 5.08 2.08 12 -5 -17 39.73 9.10 -12 -5 17 42.37 7.83 12 5 -17 22.36 8.17 12 -5 -17 20.71 6.30 12 -5 -16 6.69 2.68 12 5 -16 3.52 1.32 12 -5 -16 3.69 1.93 -12 -5 15 8.86 3.84 12 5 -15 10.87 8.09 12 -5 -15 8.00 2.82 -12 -5 14 1.14 2.14 -12 5 14 3.31 1.27 12 5 -14 2.26 2.21 12 -5 -14 0.01 1.38 -12 -5 13 18.92 3.28 -12 5 13 21.49 4.36 12 5 -13 19.94 4.33 12 -5 -13 24.42 16.07 -12 -5 12 6.73 2.41 -12 5 12 8.98 3.25 12 5 -12 7.10 3.42 12 -5 -12 4.82 1.87 -12 -5 11 73.50 13.16 -12 5 11 79.69 9.71 12 5 -11 77.61 13.30 12 -5 -11 70.22 12.87 -12 -5 10 56.87 6.17 -12 5 10 49.17 10.25 12 5 -10 42.68 7.90 12 -5 -10 39.41 6.08 -12 -5 9 68.62 7.82 -12 5 9 67.64 7.28 12 5 -9 65.23 40.20 12 -5 -9 67.78 11.60 -12 -5 8 23.37 3.35 -12 5 8 26.75 5.15 12 5 -8 21.16 3.30 12 -5 -8 21.48 4.81 12 5 -8 16.81 3.19 -12 -5 7 99.90 10.90 -12 5 7 92.84 6.11 12 5 -7 85.98 10.30 12 -5 -7 93.45 3.53 12 -5 -7 94.07 2.91 12 5 -7 100.15 3.16 -12 -5 6 12.47 2.72 -12 5 6 12.45 3.28 12 -5 -6 17.02 4.48 12 -5 -6 11.42 3.30 12 5 -6 12.86 3.32 -12 -5 5 68.60 55.33 -12 5 5 63.46 8.98 12 -5 -5 72.38 2.98 12 5 -5 71.99 7.19 -12 -5 4 29.23 5.04 -12 5 4 25.33 4.72 12 -5 -4 29.65 5.16 12 5 -4 30.17 5.72 -12 -5 3 98.68 9.94 -12 5 3 107.22 3.68 12 -5 -3 104.41 6.73 12 5 -3 102.97 5.40 -12 -5 2 7.87 2.35 12 -5 -2 10.46 3.88 12 5 -2 5.79 2.76 -12 -5 1 10.49 3.11 12 -5 -1 14.60 3.09 12 5 -1 18.02 3.57 -12 -5 0 0.61 0.83 12 -5 0 2.56 1.42 12 5 0 4.03 1.60 12 -5 1 4.96 2.52 12 5 1 9.13 3.12 12 -5 2 5.44 2.85 12 5 2 7.77 3.18 -12 5 -3 23.91 3.35 12 -5 3 19.64 3.46 12 5 3 15.83 3.57 -12 5 -4 3.71 1.63 12 -5 4 3.00 1.16 12 5 4 3.25 1.62 -12 5 -5 6.23 3.26 12 -5 5 1.62 1.81 12 5 5 -0.65 1.96 -12 5 -6 0.97 1.92 -12 -5 -6 1.74 2.40 12 -5 6 2.07 1.66 12 5 6 -0.21 2.19 -12 5 -7 15.53 3.84 -12 -5 -7 11.32 3.27 12 -5 7 15.42 4.67 12 5 7 15.45 4.03 12 -6 -16 19.41 3.03 -12 -6 16 13.55 3.41 12 6 -16 7.74 3.16 12 -6 -16 9.95 4.57 12 -6 -15 -3.27 2.15 -12 -6 15 1.61 1.29 12 6 -15 0.77 1.48 12 -6 -15 -2.37 1.50 12 -6 -14 39.93 5.56 -12 -6 14 42.54 4.72 12 6 -14 34.01 6.77 12 -6 -14 26.01 6.93 -12 -6 13 4.75 1.86 -12 6 13 12.18 2.38 12 6 -13 4.24 3.60 12 -6 -13 8.41 2.93 -12 -6 12 33.86 8.06 -12 6 12 35.20 6.06 12 6 -12 38.21 8.42 12 -6 -12 33.24 6.64 -12 -6 11 1.63 1.35 -12 6 11 0.84 1.61 12 6 -11 -0.68 2.23 12 -6 -11 6.72 4.62 -12 -6 10 129.80 15.79 -12 6 10 133.50 10.01 12 6 -10 133.13 18.11 -12 -6 9 41.52 22.99 -12 6 9 25.04 4.30 12 6 -9 35.50 7.08 -12 -6 8 3.92 1.84 -12 6 8 4.61 2.17 12 6 -8 2.15 2.05 12 -6 -8 6.36 1.94 12 6 -8 5.80 1.70 -12 -6 7 7.04 2.64 -12 6 7 3.46 1.37 12 6 -7 1.81 0.90 12 -6 -7 3.34 1.61 12 -6 -7 3.64 1.10 12 6 -7 4.66 1.96 -12 -6 6 37.36 7.02 -12 6 6 36.43 5.83 12 -6 -6 38.81 3.52 12 -6 -6 35.14 5.23 12 6 -6 34.80 4.34 -12 -6 5 9.87 2.47 -12 6 5 12.52 2.58 12 -6 -5 11.43 3.69 12 6 -5 9.86 3.08 -12 -6 4 222.41 4.79 -12 6 4 210.53 6.98 12 -6 -4 227.51 6.41 12 6 -4 202.03 6.89 -12 -6 3 8.10 4.93 12 -6 -3 8.87 3.53 12 6 -3 6.46 2.35 -12 -6 2 98.86 10.03 12 -6 -2 106.72 4.19 12 6 -2 93.80 11.24 -12 -6 1 15.72 3.96 12 -6 -1 22.44 4.19 12 6 -1 19.67 5.10 -12 -6 0 25.31 7.20 12 -6 0 30.64 6.46 12 6 0 36.72 6.38 12 -6 1 0.32 1.31 12 6 1 -1.08 1.96 12 -6 2 9.03 3.09 12 6 2 15.98 2.99 -12 6 -3 1.02 1.52 12 -6 3 -0.07 1.80 12 6 3 2.31 1.33 -12 6 -4 27.98 3.06 12 -6 4 23.44 5.51 12 6 4 16.72 3.73 -12 6 -5 1.47 1.65 12 -6 5 1.93 1.32 12 6 5 2.15 1.47 -12 6 -6 2.80 1.75 12 -6 6 5.31 2.49 12 6 6 2.69 2.33 -12 6 -7 1.65 1.33 -12 -6 -7 1.36 2.14 12 -6 7 4.65 2.34 12 6 7 2.63 2.03 12 -7 -16 1.43 1.13 -12 -7 16 -4.37 1.86 12 7 -16 0.54 1.01 12 -7 -15 9.58 3.49 -12 -7 15 21.56 4.37 12 7 -15 16.26 3.98 12 -7 -14 3.16 1.89 -12 -7 14 0.43 1.10 12 7 -14 -5.59 2.14 12 -7 -14 0.65 1.24 12 -7 -13 45.57 7.03 -12 -7 13 44.38 10.84 12 7 -13 39.25 6.02 12 -7 -13 28.58 8.62 12 -7 -12 2.35 1.53 -12 -7 12 3.06 1.54 12 7 -12 2.51 1.98 12 -7 -12 2.94 1.06 -12 -7 11 -1.49 1.70 12 -7 -11 0.98 0.93 -12 -7 10 2.37 1.18 -12 7 10 1.15 1.46 12 7 -10 1.21 1.13 12 -7 -10 0.64 0.67 -12 -7 9 92.86 13.58 -12 7 9 92.46 6.02 12 7 -9 77.92 14.44 12 -7 -9 83.80 7.16 -12 -7 8 3.75 1.75 -12 7 8 1.77 1.33 12 7 -8 2.30 1.50 12 -7 -8 1.66 0.90 12 7 -8 2.64 1.12 -12 -7 7 5.42 2.49 -12 7 7 4.27 2.86 12 7 -7 2.69 1.08 12 -7 -7 3.79 1.93 12 -7 -7 6.40 1.89 12 7 -7 8.88 1.96 -12 -7 6 5.23 1.88 12 -7 -6 10.18 2.70 12 -7 -6 7.29 2.65 12 7 -6 6.37 2.49 12 -7 -5 179.62 4.99 -12 -7 5 166.54 4.88 12 7 -5 169.57 4.72 12 -7 -4 1.29 0.58 -12 -7 4 -1.20 1.36 12 7 -4 1.96 0.94 -12 -7 3 75.49 6.93 12 7 -3 75.93 10.98 -12 -7 2 12.35 2.62 12 7 -2 6.78 2.64 -12 -7 1 22.99 2.30 12 7 -1 22.42 4.17 -12 -7 0 2.29 1.16 12 7 0 0.57 1.70 12 7 1 35.63 5.97 12 7 2 4.68 2.57 -12 7 -3 4.41 1.75 12 -7 3 1.52 1.35 12 7 3 4.28 1.95 -12 7 -4 -0.11 1.67 12 -7 4 2.62 1.87 12 7 4 -3.08 1.73 -12 7 -5 8.03 2.35 12 -7 5 11.56 2.77 12 7 5 2.29 2.55 -12 7 -6 2.66 0.90 12 -7 6 -1.78 2.14 12 7 6 2.97 1.74 12 -8 -16 6.26 2.54 -12 -8 16 3.28 1.62 12 8 -16 6.86 3.30 12 -8 -15 0.62 2.40 -12 -8 15 0.81 1.46 12 8 -15 3.33 1.26 12 -8 -14 16.41 4.68 -12 -8 14 18.10 3.88 12 8 -14 14.11 3.14 12 -8 -13 0.54 1.39 -12 -8 13 -2.38 1.68 12 8 -13 5.26 1.63 12 -8 -12 -0.29 1.76 -12 -8 12 2.77 1.27 12 8 -12 1.60 1.95 12 -8 -12 0.68 0.69 12 -8 -11 4.49 2.39 -12 -8 11 0.59 1.49 12 -8 -11 1.03 0.78 12 -8 -10 26.40 3.97 -12 -8 10 25.14 2.99 12 8 -10 20.03 4.26 12 -8 -10 20.62 3.90 12 -8 -9 1.98 1.27 -12 -8 9 1.83 1.02 12 8 -9 2.66 1.25 12 -8 -9 0.14 0.51 12 -8 -8 102.28 5.16 -12 -8 8 100.13 11.05 12 8 -8 103.24 12.17 12 -8 -8 95.19 4.30 12 8 -8 101.02 4.38 12 -8 -7 35.61 7.18 -12 -8 7 35.79 6.09 12 8 -7 38.96 6.27 12 -8 -7 30.67 2.70 12 8 -7 24.43 6.32 12 -8 -6 99.74 3.71 -12 -8 6 88.09 10.18 12 8 -6 100.77 10.30 12 -8 -6 91.03 3.55 12 8 -6 95.63 3.75 12 -8 -5 -1.75 1.07 -12 -8 5 1.65 1.39 12 8 -5 0.53 1.32 12 -8 -4 265.56 6.61 -12 -8 4 273.77 159.54 12 8 -4 269.87 157.98 -12 -8 3 4.75 1.23 12 8 -3 3.98 1.59 -12 -8 2 2.62 1.22 12 8 -2 2.68 1.71 -12 -8 1 8.10 3.30 12 8 -1 8.75 3.19 -12 -8 0 15.27 3.95 12 8 0 13.44 4.35 12 8 1 1.74 1.47 12 8 2 44.12 7.96 -12 8 -3 13.09 2.95 12 8 3 7.48 3.21 -12 8 -4 10.10 3.51 12 -8 4 9.66 4.31 12 8 4 5.56 2.61 -12 8 -5 4.78 2.06 12 -8 5 10.84 4.11 12 8 5 8.93 3.07 -12 8 -6 7.19 3.53 12 -8 6 12.75 4.12 12 8 6 5.46 2.57 12 -9 -16 2.54 1.62 -12 -9 16 2.84 1.21 12 9 -16 2.66 1.40 12 -9 -15 4.00 1.94 -12 -9 15 5.88 2.61 12 9 -15 6.92 3.13 12 -9 -14 -1.46 2.03 -12 -9 14 0.32 1.63 12 9 -14 -0.16 2.24 12 -9 -13 2.95 1.19 -12 -9 13 8.60 2.75 12 9 -13 10.72 3.08 12 -9 -12 0.17 1.34 -12 -9 12 1.77 1.32 12 9 -12 1.53 0.97 12 -9 -11 93.48 15.73 -12 -9 11 109.16 13.91 12 9 -11 100.86 16.03 12 -9 -10 1.64 0.89 -12 -9 10 2.51 1.27 12 -9 -9 8.13 2.52 12 9 -9 4.01 2.17 12 -9 -9 8.30 2.49 12 -9 -8 4.75 1.66 -12 -9 8 5.49 1.82 12 9 -8 2.87 1.80 12 -9 -8 3.03 1.44 12 9 -8 4.48 1.73 12 -9 -7 64.26 5.42 -12 -9 7 56.85 7.29 12 9 -7 61.19 12.66 12 -9 -7 71.87 3.64 12 -9 -6 15.50 4.80 -12 -9 6 16.01 2.63 12 9 -6 10.07 3.11 12 -9 -6 13.21 3.88 12 9 -6 21.03 2.29 12 -9 -5 35.08 3.95 -12 -9 5 26.65 5.95 12 9 -5 28.51 5.81 12 -9 -4 0.87 0.95 -12 -9 4 2.13 1.86 12 9 -4 -0.52 1.31 -12 -9 3 50.10 3.04 12 9 -3 41.94 6.95 -12 -9 2 1.61 1.30 12 9 -2 6.05 3.85 -12 -9 1 16.15 4.40 12 9 -1 26.52 5.62 -12 -9 0 2.17 1.36 12 9 0 -2.50 2.13 -12 -9 -1 64.07 5.03 12 9 1 64.39 13.13 12 9 2 1.19 1.34 -12 9 -3 67.47 3.93 12 9 3 49.21 10.14 -12 9 -4 4.90 3.92 12 9 4 2.09 1.68 -12 9 -5 20.81 17.22 12 -9 5 17.81 4.37 12 9 5 18.28 4.24 -12 9 -6 12.21 3.97 12 -9 6 6.74 1.29 12 9 6 7.63 3.23 12 -10 -16 21.94 4.86 -12 -10 16 22.96 5.45 12 10 -16 21.67 6.44 12 -10 -15 -2.68 1.97 -12 -10 15 1.97 1.36 12 10 -15 -0.50 1.60 12 -10 -14 13.60 2.45 -12 -10 14 26.81 4.53 12 10 -14 9.23 3.37 12 -10 -13 4.86 1.93 -12 -10 13 6.52 2.58 12 10 -13 4.80 1.98 12 -10 -12 38.42 5.94 -12 -10 12 37.55 6.69 12 10 -12 34.11 5.90 12 -10 -11 3.45 1.86 -12 -10 11 3.23 1.73 12 10 -11 0.04 2.28 12 -10 -10 31.13 5.62 -12 -10 10 24.01 3.70 12 10 -10 30.78 5.14 12 -10 -9 14.48 2.45 -12 -10 9 4.13 2.06 12 10 -9 8.08 3.81 12 -10 -8 22.44 4.92 -12 -10 8 21.85 3.23 12 10 -8 10.02 3.55 12 10 -8 15.55 4.03 12 -10 -7 6.47 2.10 -12 -10 7 3.94 1.59 12 10 -7 2.89 1.37 -12 -10 6 34.82 8.69 12 10 -6 36.22 6.82 12 10 -6 29.82 5.66 12 -10 -5 9.29 3.32 -12 -10 5 8.20 3.04 12 10 -5 6.59 2.47 -12 -10 4 61.46 12.44 12 10 -4 64.51 11.49 -12 -10 3 2.46 1.22 12 10 -3 0.74 0.80 -12 -10 2 67.31 8.65 12 10 -2 67.41 11.08 -12 -10 1 -1.08 1.21 12 10 -1 3.53 1.99 -12 -10 0 6.37 2.23 12 10 0 3.75 1.91 -12 -10 -1 5.66 2.14 12 10 1 7.68 4.16 12 10 2 51.37 9.80 -12 10 -3 8.71 3.74 12 10 3 16.04 3.16 -12 10 -4 14.43 3.79 12 10 4 15.08 2.85 -12 10 -5 6.60 1.93 12 10 5 10.83 4.34 -12 10 -6 2.76 1.69 12 -10 6 3.30 1.87 12 10 6 3.98 1.93 12 -11 -15 18.27 2.78 -12 -11 15 17.99 3.04 12 11 -15 14.33 3.35 12 -11 -14 5.41 2.11 -12 -11 14 3.14 1.84 12 11 -14 2.28 1.44 12 -11 -13 15.75 3.74 -12 -11 13 20.72 3.81 12 11 -13 13.34 2.34 12 -11 -12 0.96 1.22 -12 -11 12 2.76 1.05 12 11 -12 1.60 1.57 12 -11 -11 23.55 3.93 -12 -11 11 16.71 2.84 12 11 -11 19.80 3.58 12 -11 -10 1.00 1.12 -12 -11 10 -1.59 1.58 12 11 -10 1.36 1.13 12 -11 -9 51.71 9.22 -12 -11 9 64.94 5.62 12 11 -9 66.40 10.38 12 -11 -8 10.59 1.45 -12 -11 8 10.24 2.42 12 11 -8 6.91 2.98 12 11 -8 9.63 1.97 12 -11 -7 0.44 0.67 -12 -11 7 1.39 1.68 12 11 -7 -1.57 2.33 12 11 -7 1.72 1.13 -12 -11 6 6.11 2.67 12 11 -6 2.51 2.17 12 11 -6 2.00 1.89 12 -11 -5 56.57 5.89 -12 -11 5 48.69 10.48 12 11 -5 51.38 10.89 -12 -11 4 16.35 4.21 12 11 -4 17.82 3.69 -12 -11 3 37.99 5.64 12 11 -3 33.02 5.38 -12 -11 2 3.29 1.59 12 11 -2 4.33 1.85 -12 -11 1 27.42 3.53 12 11 -1 23.10 4.34 -12 -11 0 22.05 2.69 12 11 0 18.32 2.57 -12 -11 -1 30.39 8.72 12 11 1 35.53 5.34 12 11 2 28.31 6.05 -12 11 -3 4.60 1.84 12 11 3 13.99 4.84 -12 11 -4 4.13 1.35 12 11 4 11.36 2.41 -12 11 -5 24.37 3.31 12 11 5 16.60 5.40 -12 11 -6 2.92 1.33 12 11 6 2.53 2.79 12 -12 -15 1.82 1.20 -12 -12 15 0.41 1.91 12 12 -15 5.10 2.67 12 -12 -14 -0.20 2.05 -12 -12 14 0.38 2.22 12 12 -14 3.30 1.90 12 -12 -13 4.11 1.85 -12 -12 13 4.08 2.17 12 12 -13 -1.09 1.61 12 -12 -12 -0.67 1.93 -12 -12 12 1.64 1.88 12 12 -12 -1.59 1.90 12 -12 -11 0.79 1.39 -12 -12 11 1.39 1.16 12 12 -11 -2.11 2.10 12 -12 -10 41.99 6.64 -12 -12 10 35.91 5.91 12 12 -10 42.49 8.77 12 -12 -9 2.12 1.27 -12 -12 9 3.03 1.42 12 12 -9 3.90 2.13 12 -12 -8 48.89 10.66 -12 -12 8 46.47 8.02 12 12 -8 43.26 10.40 12 12 -8 44.71 6.27 12 -12 -7 1.13 0.99 -12 -12 7 0.77 1.01 12 12 -7 2.71 1.54 12 12 -7 3.19 1.56 12 -12 -6 21.92 3.96 -12 -12 6 25.80 4.99 12 12 -6 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1.38 16 5 -8 -0.97 1.75 16 -5 -8 0.63 0.98 -16 -5 7 2.85 1.53 16 5 -7 6.04 2.99 16 -5 -7 2.41 1.24 -16 -5 6 1.25 0.70 16 5 -6 1.15 1.27 16 -5 -5 0.51 1.01 16 5 -5 3.20 1.35 16 -5 -4 5.40 2.25 16 5 -4 1.68 0.96 16 -5 -3 12.33 3.56 16 5 -3 12.15 3.59 16 -5 -2 0.77 0.84 16 5 -2 3.26 1.48 16 -5 -1 8.56 3.70 16 5 -1 6.14 2.64 -16 -6 12 3.77 1.55 16 6 -12 4.84 1.91 -16 -6 11 2.29 1.24 16 6 -11 2.32 1.14 -16 -6 10 0.67 1.37 16 6 -10 1.75 2.34 -16 -6 9 9.35 3.53 16 6 -9 5.53 2.50 -16 -6 8 5.64 2.55 16 6 -8 6.84 2.18 -16 -6 7 5.47 2.51 16 6 -7 9.90 3.73 16 -6 -6 3.44 1.70 16 6 -6 3.15 1.68 16 -6 -5 0.71 1.19 16 6 -5 0.41 0.81 16 -6 -4 6.23 1.88 16 6 -4 3.34 1.17 16 -6 -3 7.47 3.08 16 6 -3 3.56 1.69 16 -6 -2 27.44 7.88 16 6 -2 24.70 7.56 16 -6 -1 1.34 2.02 16 6 -1 1.71 2.03 16 -7 -12 0.04 0.94 16 7 -12 17.55 7.68 16 -7 -11 0.55 1.54 -16 -7 11 2.47 1.48 16 7 -11 1.28 1.62 16 -7 -10 2.21 1.29 -16 -7 10 0.48 1.61 16 7 -10 2.48 1.60 -16 -7 9 0.54 0.98 16 7 -9 -0.71 2.01 -16 -7 8 18.10 3.04 16 7 -8 13.40 3.73 -16 -7 7 1.55 1.64 16 7 -7 2.33 1.37 -16 -7 6 3.52 2.21 16 7 -6 5.36 2.98 16 -7 -5 0.37 0.85 16 7 -5 2.23 1.18 16 -7 -4 1.85 1.42 16 7 -4 -0.78 1.52 16 -7 -3 7.77 2.85 16 7 -3 4.65 3.91 16 -7 -2 15.24 4.85 16 7 -2 7.24 2.79 16 -8 -11 12.19 3.60 -16 -8 11 10.34 3.30 16 8 -11 6.56 2.85 16 -8 -10 -0.31 1.23 -16 -8 10 1.19 1.42 16 8 -10 4.41 2.63 -16 -8 9 5.57 2.27 16 8 -9 3.07 2.44 -16 -8 8 3.12 1.99 16 8 -8 4.28 1.70 -16 -8 7 6.16 2.74 16 8 -7 6.81 2.64 -16 -8 6 6.37 2.65 16 8 -6 3.62 2.00 16 -8 -5 0.81 1.00 16 8 -5 1.16 1.33 16 -8 -4 6.17 2.84 16 8 -4 2.62 1.00 16 -8 -3 1.70 1.82 16 8 -3 -0.43 1.56 16 -8 -2 1.15 1.43 16 8 -2 2.64 2.15 16 -9 -11 -1.78 1.69 -16 -9 11 1.12 1.85 16 9 -11 1.09 1.55 -16 -9 10 3.04 1.93 16 9 -10 3.16 1.51 -16 -9 9 7.50 2.66 16 9 -9 2.42 2.12 -16 -9 8 6.01 2.63 16 9 -8 2.64 2.16 -16 -9 7 2.74 1.66 16 9 -7 3.21 2.56 -16 -9 6 3.72 1.19 16 9 -6 0.55 1.40 -16 -9 5 8.19 3.10 16 -9 -5 3.36 2.40 16 9 -5 5.73 2.24 16 -9 -4 5.46 2.92 16 9 -4 1.69 1.47 16 -9 -3 -1.88 1.42 16 9 -3 1.82 0.79 -16 -10 10 1.49 2.00 16 10 -10 1.81 1.43 -16 -10 9 6.61 1.55 16 10 -9 5.01 3.01 -16 -10 8 2.82 1.50 16 10 -8 0.80 1.07 -16 -10 7 9.12 3.53 16 10 -7 3.87 2.48 -16 -10 6 -0.22 1.60 16 10 -6 4.77 3.89 16 10 -6 4.26 2.43 -16 -10 5 4.96 2.83 16 10 -5 2.34 1.16 16 -10 -4 -0.48 1.60 16 10 -4 1.66 1.50 16 -10 -3 -1.26 1.48 16 10 -3 0.08 1.25 -16 -11 9 3.59 1.76 16 11 -9 2.03 2.26 -16 -11 8 7.71 2.74 16 11 -8 4.93 1.84 -16 -11 7 6.87 3.04 16 11 -7 12.50 4.30 -16 -11 6 6.42 1.57 16 11 -6 5.83 3.03 16 11 -6 7.90 3.20 -16 -11 5 2.34 1.16 16 11 -5 2.64 1.64 16 -11 -4 -1.34 1.73 16 11 -4 1.39 1.07 16 12 -8 2.21 1.96 -16 -12 7 7.69 2.38 16 12 -7 5.25 2.62 -16 -12 6 3.06 1.08 16 12 -6 2.49 1.85 16 12 -6 3.94 1.78 -17 0 10 3.85 1.37 17 0 -10 3.39 1.54 -17 0 9 -0.81 1.50 17 0 -9 1.83 1.11 17 0 -8 1.20 1.48 17 0 -7 4.38 1.58 17 0 -5 1.42 1.56 17 0 -4 1.50 1.23 -17 -1 10 1.78 1.49 -17 1 10 1.44 1.41 17 1 -10 2.76 1.57 17 -1 -10 2.04 0.92 -17 -1 9 1.85 0.93 17 1 -9 3.61 1.61 17 -1 -9 2.77 1.86 17 1 -8 2.72 1.61 17 -1 -8 1.17 2.07 17 1 -7 0.76 1.62 17 -1 -7 2.77 1.56 17 1 -5 0.91 1.40 17 -1 -4 1.34 1.64 17 1 -4 0.98 1.28 -17 -2 10 4.39 1.81 -17 2 10 4.15 2.17 17 2 -10 2.93 1.33 17 -2 -10 6.99 2.28 -17 -2 9 2.41 1.51 17 2 -9 -1.48 1.99 17 -2 -9 2.26 1.77 17 2 -8 2.05 1.18 17 -2 -8 0.59 0.75 17 2 -7 1.10 1.36 17 -2 -7 -0.10 1.55 17 2 -5 5.97 3.01 17 -2 -4 2.48 1.92 17 2 -4 4.78 2.62 -17 -3 9 3.56 1.92 17 3 -9 3.02 2.38 17 -3 -9 1.76 1.87 -17 -3 8 4.15 1.95 17 3 -8 -2.44 2.44 17 -3 -8 2.60 1.53 17 3 -7 0.37 2.22 17 -3 -7 1.35 1.06 17 3 -5 -0.30 0.95 -17 -4 9 4.63 1.44 17 4 -9 0.11 1.76 -17 -4 8 0.71 1.49 17 4 -8 -0.10 1.29 17 -4 -8 2.38 1.63 17 4 -7 -0.42 2.11 17 -4 -7 1.43 1.40 17 4 -5 2.85 2.12 17 5 -9 2.84 1.67 -17 -5 8 2.70 1.96 17 5 -8 -1.87 2.20 17 5 -7 2.46 1.28 17 5 -5 -1.21 1.75 17 6 -7 -2.66 1.77 0 0 0 0.00 0.00 ; _shelx_res_checksum 80413 _shelx_res_file ; TITL 109 in P2(1)/c CELL 0.71073 13.3365 24.7138 14.4032 90 112.42 90 ZERR 2 0.0056 0.0096 0.0062 0 0.007 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H N O F Co UNIT 184 116 8 32 48 6 L.S. 20 PLAN 20 SIZE 0.2 0.1 0.1 TEMP 25 GRID fmap 2 acta MERG 2 REM C:\Documents%20and%20Settings\lenovo\?&! ?) "\c2\109.hkl WGHT 0.080400 3.702200 FVAR 0.20784 CO1 6 1.324503 0.016376 0.993327 11.00000 0.03740 0.02988 = 0.02717 -0.00253 0.01280 -0.00452 O1 4 1.320988 -0.047909 1.073169 11.00000 0.04012 0.03457 = 0.04629 0.00630 0.02057 -0.00295 F1 5 1.083656 -0.307076 1.140217 11.00000 0.05666 0.05030 = 0.09652 0.01113 0.02152 -0.00467 N1 3 1.290861 -0.010302 0.849461 11.00000 0.04525 0.03031 = 0.02465 -0.00270 0.01064 0.00234 C2 1 1.218347 -0.115579 1.110805 11.00000 0.03669 0.02853 = 0.03845 0.00477 0.01714 0.00339 CO2 6 1.000000 0.000000 1.000000 10.50000 0.03311 0.02732 = 0.02455 0.00176 0.00982 -0.00334 O2 4 1.142199 -0.043068 0.996448 11.00000 0.04519 0.03124 = 0.03469 0.00768 0.01529 0.00629 F3 5 1.079264 -0.332395 1.280714 11.00000 0.06730 0.06253 = 0.13829 0.05297 0.04685 0.00012 N2 3 1.060806 -0.013656 1.159562 11.00000 0.04069 0.03801 = 0.02576 0.00085 0.00896 -0.00363 C7 1 1.122146 -0.144117 1.079194 11.00000 0.03525 0.03411 = 0.04648 0.01084 0.00706 0.00085 AFIX 43 H7 2 1.064043 -0.132631 1.022518 11.00000 -1.20000 AFIX 0 O3 4 1.571998 -0.430991 1.348435 11.00000 0.04880 0.04608 = 0.04363 0.00152 0.02098 0.01080 F2 5 0.988725 -0.263096 1.206173 11.00000 0.04572 0.07878 = 0.13495 0.04746 0.04611 0.01766 C6 1 1.110827 -0.189361 1.130282 11.00000 0.03746 0.03452 = 0.06225 0.01127 0.01441 -0.00285 AFIX 43 H6 2 1.045203 -0.207917 1.107504 11.00000 -1.20000 AFIX 0 O4 4 1.542330 -0.440434 1.487005 11.00000 0.04344 0.03664 = 0.03615 0.00942 0.01382 0.00719 F4 5 1.126157 -0.256848 1.422701 11.00000 0.11718 0.09517 = 0.11319 0.05324 0.09406 0.04621 C5 1 1.195920 -0.207729 1.215339 11.00000 0.03853 0.03272 = 0.05170 0.01552 0.02331 0.00913 O5 4 1.217169 0.074029 0.972343 11.00000 0.04332 0.03244 = 0.04434 -0.00174 0.02014 0.00235 F5 5 1.095252 -0.183612 1.337937 11.00000 0.11579 0.08058 = 0.11484 0.04311 0.08022 0.06492 C4 1 1.293244 -0.179581 1.244402 11.00000 0.04102 0.05083 = 0.05288 0.02547 0.00723 0.00289 AFIX 43 H4 2 1.352245 -0.191345 1.300041 11.00000 -1.20000 AFIX 0 O6 4 1.086874 0.070841 1.033412 11.00000 0.04007 0.02788 = 0.04172 0.00031 0.01646 -0.00466 F6 5 1.256170 -0.203954 1.434607 11.00000 0.11199 0.06741 = 0.07284 0.00386 0.04653 0.02686 C3 1 1.304252 -0.134497 1.192427 11.00000 0.03221 0.04776 = 0.05861 0.01941 0.00775 -0.00199 AFIX 43 H3 2 1.370661 -0.116728 1.212957 11.00000 -1.20000 AFIX 0 F10 5 1.457950 0.287968 1.275885 11.00000 0.05420 0.08244 = 0.05877 0.00667 0.00949 -0.00434 C1 1 1.225998 -0.065297 1.055876 11.00000 0.04314 0.02957 = 0.03249 -0.00150 0.01817 -0.00067 O7 4 1.511206 0.438735 0.909761 11.00000 0.09978 0.20133 = 0.07138 0.00751 0.04012 -0.07430 F11 5 1.337874 0.274722 1.337771 11.00000 0.10185 0.08237 = 0.04938 0.00175 0.03247 -0.03607 O8 4 1.371452 0.398750 0.793187 11.00000 0.07317 0.10585 = 0.05436 0.00701 0.03186 -0.01356 AFIX 147 H8 2 1.398507 0.411546 0.755594 11.00000 -1.50000 AFIX 0 C12 1 1.441295 -0.372787 1.374387 11.00000 0.03690 0.02910 = 0.03735 0.00566 0.01278 0.00263 F12 5 1.391147 0.355299 1.327525 11.00000 0.09842 0.07119 = 0.05573 -0.02590 0.03019 -0.03974 C13 1 1.408073 -0.347675 1.281048 11.00000 0.04771 0.04336 = 0.04669 0.01354 0.02613 0.01457 AFIX 43 H13 2 1.439229 -0.357798 1.235870 11.00000 -1.20000 AFIX 0 F8 5 1.154198 0.329729 1.255623 11.00000 0.08967 0.06857 = 0.10042 -0.03475 0.07112 -0.02676 C14 1 1.329681 -0.308037 1.254699 11.00000 0.04828 0.04827 = 0.04665 0.02392 0.02397 0.01876 AFIX 43 H14 2 1.308941 -0.291530 1.192132 11.00000 -1.20000 AFIX 0 F7 5 1.204428 0.397572 1.192661 11.00000 0.08994 0.03761 = 0.15282 -0.02719 0.08101 -0.01593 C9 1 1.280962 -0.292304 1.320537 11.00000 0.04084 0.03460 = 0.05518 0.01621 0.02507 0.01133 F9 5 1.093710 0.340045 1.096678 11.00000 0.04930 0.06524 = 0.10860 -0.00419 0.03630 0.00314 C10 1 1.314764 -0.317366 1.413424 11.00000 0.05751 0.04109 = 0.05423 0.01776 0.03288 0.01461 AFIX 43 H10 2 1.283573 -0.307404 1.458660 11.00000 -1.20000 AFIX 0 C11 1 1.393369 -0.356599 1.439950 11.00000 0.05082 0.03784 = 0.04020 0.01505 0.02101 0.01169 AFIX 43 H11 2 1.414891 -0.372619 1.502997 11.00000 -1.20000 AFIX 0 C15 1 1.522963 -0.417095 1.403316 11.00000 0.03233 0.02855 = 0.03910 0.00369 0.00966 0.00170 C8 1 1.183255 -0.253127 1.282516 11.00000 0.04569 0.04136 = 0.06424 0.02167 0.03216 0.01287 C16 1 1.083626 -0.289008 1.227151 11.00000 0.04666 0.05026 = 0.09682 0.03386 0.03486 0.00784 C17 1 1.164422 -0.224854 1.369810 11.00000 0.08271 0.05701 = 0.07946 0.03217 0.05216 0.03687 C19 1 1.192814 0.149452 1.061662 11.00000 0.03465 0.02968 = 0.03415 0.00027 0.01200 -0.00162 C24 1 1.276712 0.176839 1.048152 11.00000 0.04509 0.03195 = 0.05562 -0.00381 0.03108 -0.00355 AFIX 43 H24 2 1.315026 0.160397 1.013748 11.00000 -1.20000 AFIX 0 C23 1 1.303625 0.228541 1.085679 11.00000 0.04386 0.03814 = 0.06249 -0.00695 0.03218 -0.01035 AFIX 43 H23 2 1.361086 0.246366 1.077428 11.00000 -1.20000 AFIX 0 C22 1 1.246299 0.254313 1.135494 11.00000 0.04149 0.03004 = 0.04508 -0.00920 0.02040 -0.00794 C21 1 1.164473 0.226220 1.151242 11.00000 0.04673 0.04046 = 0.05201 -0.01338 0.03184 -0.01279 AFIX 43 H21 2 1.126583 0.242332 1.186369 11.00000 -1.20000 AFIX 0 C20 1 1.139043 0.174068 1.114631 11.00000 0.03489 0.03940 = 0.04849 -0.00908 0.02257 -0.01249 AFIX 43 H20 2 1.084416 0.155344 1.126172 11.00000 -1.20000 AFIX 0 C18 1 1.163970 0.093558 1.020324 11.00000 0.03575 0.02874 = 0.03093 0.00284 0.00833 -0.00012 C29 1 1.386309 0.390336 0.959359 11.00000 0.04634 0.05144 = 0.04816 0.00563 0.02435 -0.00178 C28 1 1.290926 0.361004 0.927716 11.00000 0.05133 0.05994 = 0.04269 0.00550 0.01342 -0.00571 AFIX 43 H28 2 1.250516 0.356388 0.859501 11.00000 -1.20000 AFIX 0 C27 1 1.256112 0.338712 0.997459 11.00000 0.04044 0.04881 = 0.04987 -0.00309 0.01224 -0.01407 AFIX 43 H27 2 1.190818 0.319884 0.975756 11.00000 -1.20000 AFIX 0 C26 1 1.316281 0.343681 1.099630 11.00000 0.04019 0.03182 = 0.04531 -0.00276 0.01880 -0.00474 C31 1 1.408216 0.375498 1.130058 11.00000 0.04351 0.05542 = 0.04784 -0.00246 0.01687 -0.01554 AFIX 43 H31 2 1.447106 0.381348 1.198201 11.00000 -1.20000 AFIX 0 C30 1 1.443075 0.398703 1.060676 11.00000 0.04677 0.06867 = 0.05178 -0.00018 0.02271 -0.01956 AFIX 43 H30 2 1.505133 0.420096 1.082238 11.00000 -1.20000 AFIX 0 C32 1 1.429957 0.412010 0.885351 11.00000 0.05831 0.07750 = 0.06069 0.01189 0.03148 -0.00347 C25 1 1.278180 0.312565 1.173442 11.00000 0.04057 0.03772 = 0.04720 -0.00938 0.02408 -0.00989 C34 1 1.367118 0.307948 1.279354 11.00000 0.06688 0.05030 = 0.04660 -0.00845 0.02264 -0.02060 C33 1 1.181469 0.344810 1.179581 11.00000 0.05913 0.03943 = 0.08429 -0.01629 0.04466 -0.01189 C35 1 1.204610 -0.040897 0.798673 11.00000 0.05426 0.05750 = 0.03372 -0.00494 0.01319 -0.00931 AFIX 43 H35 2 1.159813 -0.052056 0.831147 11.00000 -1.20000 AFIX 0 C36 1 1.179238 -0.056492 0.701680 11.00000 0.06956 0.07544 = 0.03573 -0.01363 0.00866 -0.01730 AFIX 43 H36 2 1.118492 -0.077877 0.669314 11.00000 -1.20000 AFIX 0 C37 1 1.244708 -0.040245 0.651366 11.00000 0.07953 0.07143 = 0.03272 -0.00598 0.01723 0.00383 C38 1 1.334250 -0.008941 0.703978 11.00000 0.06413 0.05802 = 0.03624 0.00240 0.02322 0.00685 AFIX 43 H38 2 1.380451 0.002590 0.673243 11.00000 -1.20000 AFIX 0 C39 1 1.354791 0.005072 0.801617 11.00000 0.05315 0.03422 = 0.03575 0.00275 0.02004 0.00759 AFIX 43 H39 2 1.415514 0.026086 0.836007 11.00000 -1.20000 AFIX 0 C48 1 1.217354 -0.054562 0.541567 11.00000 0.10814 0.09236 = 0.04168 -0.00540 0.02062 0.00839 AFIX 23 H48A 2 1.283113 -0.061089 0.529549 11.00000 -1.20000 H48B 2 1.172709 -0.086853 0.523500 11.00000 -1.20000 AFIX 0 C41 1 1.159959 -0.009462 0.484215 11.00000 0.14506 0.08761 = 0.05735 -0.00019 0.01823 0.01683 AFIX 23 H41A 2 1.204444 0.022673 0.506658 11.00000 -1.20000 H41B 2 1.094393 -0.003997 0.497089 11.00000 -1.20000 AFIX 0 C42 1 1.161239 0.002336 1.218331 11.00000 0.05908 0.07923 = 0.04040 -0.00070 0.00957 -0.02598 AFIX 43 H42 2 1.206745 0.015689 1.188282 11.00000 -1.20000 AFIX 0 C43 1 1.199215 -0.000328 1.321397 11.00000 0.08976 0.13184 = 0.04084 0.00252 0.00011 -0.05027 AFIX 43 H43 2 1.271128 0.008175 1.359730 11.00000 -1.20000 AFIX 0 C44 1 1.128501 -0.016046 1.368879 11.00000 0.10722 0.09735 = 0.03493 0.00818 0.01044 -0.01530 C45 1 1.038327 -0.041775 1.306981 11.00000 0.08587 0.18029 = 0.03609 0.01432 0.02025 -0.05602 AFIX 43 H45 2 0.997988 -0.062473 1.334156 11.00000 -1.20000 AFIX 0 C46 1 1.005786 -0.037811 1.205540 11.00000 0.06304 0.09612 = 0.03123 0.00289 0.01055 -0.03220 AFIX 43 H46 2 0.939729 -0.053395 1.166175 11.00000 -1.20000 AFIX 0 HKLF 4 REM 109 in P2(1)/c REM R1 = 0.0644 for 7907 Fo > 4sig(Fo) and 0.0834 for all 10058 data REM 629 parameters refined using 0 restraints END WGHT 0.0694 3.8558 REM Highest difference peak 1.035, deepest hole -0.457, 1-sigma level 0.074 Q1 1 1.2113 -0.0620 0.4685 11.00000 0.05 1.03 Q2 1 1.1604 -0.0521 1.3597 11.00000 0.05 0.90 Q3 1 1.0983 0.0317 1.2246 11.00000 0.05 0.73 Q4 1 1.1101 0.0307 1.3220 11.00000 0.05 0.57 Q5 1 1.2119 -0.0103 0.6397 11.00000 0.05 0.46 Q6 1 1.3253 -0.0210 0.9996 11.00000 0.05 0.42 Q7 1 0.9959 0.0397 0.9969 11.00000 0.05 0.40 Q8 1 1.2598 -0.0016 0.6590 11.00000 0.05 0.37 Q9 1 1.2999 -0.0009 0.9017 11.00000 0.05 0.36 Q10 1 1.0302 -0.2437 1.2761 11.00000 0.05 0.36 Q11 1 1.1701 -0.0193 0.5457 11.00000 0.05 0.31 Q12 1 1.3377 -0.1956 1.4609 11.00000 0.05 0.31 Q13 1 1.1902 -0.2388 1.4620 11.00000 0.05 0.30 Q14 1 1.5779 -0.4497 1.4802 11.00000 0.05 0.30 Q15 1 1.4668 0.4599 0.8730 11.00000 0.05 0.28 Q16 1 1.1707 -0.1702 1.3831 11.00000 0.05 0.27 Q17 1 1.2284 0.0520 0.9657 11.00000 0.05 0.27 Q18 1 1.3130 0.0724 0.9956 11.00000 0.05 0.26 Q19 1 1.0173 -0.0076 1.1897 11.00000 0.05 0.26 Q20 1 1.1406 -0.2760 1.2751 11.00000 0.05 0.26 ; _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. ; _shelxl_version_number 2013-4 _database_code_depnum_ccdc_archive 'CCDC 942716' ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_3_bcphfp_BPE_Co5 _reflns_special_details ; SQUEEZE has been used to remove all the disordered and undefined solvent (DMA) molecules in the pore channels. The squeezed contents are defined as four DMA molecules per formula unit. ; # start Validation Reply Form _vrf_CHEMW03_3_bcphfp_BPE_Co5 ; PROBLEM: ALERT: The ratio of given/expected molecular weight as RESPONSE: the solvent DMF molecule is missing from the structural data by using SQUEEZE but are included in the CIF file which makes the difference ; _vrf_PLAT043_3_bcphfp_BPE_Co5 ; PROBLEM: Calculated and Reported Mol. Weight Differ by .. 350.50 Check RESPONSE: the same reason as for the problem above ; _vrf_PLAT602_3_bcphfp_BPE_Co5 ; PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure ! Info RESPONSE: the same reason as for the problem above ; # end Validation Reply Form _audit_creation_date 2013-11-22 _audit_creation_method ; Olex2 1.2 (compiled 2013.11.15 svn.r2834 for OlexSys, GUI svn.r4715) ; _shelxl_version_number 2013-4 _chemical_name_common ? _chemical_name_systematic ; ? ; _chemical_formula_moiety 'C92 H56 Co5 F24 N4 O18, 4 (C4 H9 N O)' _chemical_formula_sum 'C108 H94 Co5 F24 N8 O22' _chemical_formula_weight 2606.56 _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 15.792(5) _cell_length_b 15.821(5) _cell_length_c 18.031(6) _cell_angle_alpha 100.763(4) _cell_angle_beta 100.701(2) _cell_angle_gamma 100.779(3) _cell_volume 4233(2) _cell_formula_units_Z 1 _cell_measurement_reflns_used ? _cell_measurement_temperature 293(2) _cell_measurement_theta_max ? _cell_measurement_theta_min ? _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 0.554 _exptl_absorpt_correction_T_max ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ? _exptl_crystal_colour ? _exptl_crystal_density_diffrn 1.023 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description ? _exptl_crystal_F_000 1325 _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_special_details ; ? ; _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0455 _diffrn_reflns_av_unetI/netI 0.0890 _diffrn_reflns_Laue_measured_fraction_full 0.965 _diffrn_reflns_Laue_measured_fraction_max 0.942 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 33743 _diffrn_reflns_point_group_measured_fraction_full 0.965 _diffrn_reflns_point_group_measured_fraction_max 0.942 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.515 _diffrn_reflns_theta_min 2.047 _diffrn_ambient_temperature 293(2) _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.965 _diffrn_measured_fraction_theta_max 0.942 _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source ? _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 9439 _reflns_number_total 18371 _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement ? _computing_data_collection ? _computing_data_reduction ? _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2008)' _computing_structure_solution ; Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008; Palatinus et al., 2012) ; _refine_diff_density_max 0.578 _refine_diff_density_min -0.662 _refine_diff_density_rms 0.087 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.930 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 646 _refine_ls_number_reflns 18371 _refine_ls_number_restraints 56 _refine_ls_R_factor_all 0.0902 _refine_ls_R_factor_gt 0.0702 _refine_ls_restrained_S_all 0.931 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1114P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1948 _refine_ls_wR_factor_ref 0.2067 _refine_special_details ; ? ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups 2. Rigid bond restraints C6, C2, C3, C4, C5 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 C8, C12, C11, C10, C9 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 C13, C18, C17, C7, C15, C14 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 C22, C21, C26, C25, C24, C23 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 C31, C30, C35, C34, C33, C32 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 C38, C39, C40, C43, C42, C41 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 3.a Secondary CH2 refined with riding coordinates: C1(H1A,H1B), C16(H16A,H16B) 3.b Aromatic/amide H refined with riding coordinates: C26(H26), C31(H31), C34(H34), C39(H39), C22(H22), C9(H9), C41(H41), C11(H11), C18(H18), C35(H35), C42(H42), C23(H23), C32(H32), C15(H15), C25(H25), C14(H14), C8(H8), C4(H4), C12(H12), C5(H5), C2(H2), C17(H17), C40(H40), C6(H6) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary iterative _atom_sites_solution_secondary ? loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Co1 Co 0.31541(3) 0.32224(3) 0.45151(3) 0.04558(15) Uani 1 1 d . . . . . Co3 Co 0.5000 -0.5000 0.5000 0.03573(16) Uani 1 2 d S T P . . Co2 Co 0.36773(3) 0.37306(3) 0.30024(3) 0.04988(15) Uani 1 1 d . . . . . O3 O 0.20383(16) 0.33636(19) 0.37141(15) 0.0642(7) Uani 1 1 d . . . . . O4 O 0.2427(2) 0.3757(3) 0.26907(19) 0.0920(11) Uani 1 1 d . . . . . F10 F 0.1801(2) 0.7922(3) 0.9030(2) 0.168(2) Uani 1 1 d . . . . . F12 F 0.2286(2) 0.8021(3) 0.7987(3) 0.1338(14) Uani 1 1 d . . . . . O7 O 0.41387(18) 0.29656(19) 0.52945(18) 0.0737(9) Uani 1 1 d . . . . . O9 O 0.3944(2) 0.4177(2) 0.41033(15) 0.0937(12) Uani 1 1 d . . . . . O5 O 0.29370(17) 0.42343(19) 0.53230(16) 0.0649(7) Uani 1 1 d . . . . . O2 O 0.3904(3) 0.2544(2) 0.2756(2) 0.0913(11) Uani 1 1 d . . . . . F11 F 0.3090(2) 0.7693(3) 0.8975(2) 0.167(2) Uani 1 1 d . . . . . N2 N 0.22350(19) 0.2283(2) 0.48474(17) 0.0556(8) Uani 1 1 d . . . . . C30 C 0.3023(2) 0.5381(3) 0.6378(2) 0.0555(9) Uani 1 1 d . U . . . C21 C 0.3895(4) -0.2183(3) 0.2546(3) 0.0783(13) Uani 1 1 d . U . . . O1 O 0.3296(2) 0.21329(18) 0.36847(18) 0.0747(9) Uani 1 1 d . . . . . C26 C 0.3505(4) -0.3025(3) 0.2609(3) 0.0825(14) Uani 1 1 d . U . . . H26 H 0.2983 -0.3344 0.2258 0.099 Uiso 1 1 calc R . . . . C31 C 0.2158(3) 0.4970(3) 0.6447(3) 0.0715(12) Uani 1 1 d . U . . . H31 H 0.1840 0.4436 0.6116 0.086 Uiso 1 1 calc R . . . . C34 C 0.3120(3) 0.6573(3) 0.7472(3) 0.0805(13) Uani 1 1 d . U . . . H34 H 0.3443 0.7103 0.7808 0.097 Uiso 1 1 calc R . . . . C39 C 0.0606(3) 0.6689(4) 0.7177(3) 0.0847(15) Uani 1 1 d . U . . . H39 H 0.1040 0.6828 0.6906 0.102 Uiso 1 1 calc R . . . . C33 C 0.2277(3) 0.6183(3) 0.7547(3) 0.0703(12) Uani 1 1 d . U . . . C43 C 0.0913(3) 0.3549(3) 0.2744(2) 0.0721(13) Uani 1 1 d . U . . . C22 C 0.4719(4) -0.1727(3) 0.3082(3) 0.0848(14) Uani 1 1 d . U . . . H22 H 0.5003 -0.1170 0.3046 0.102 Uiso 1 1 calc R . . . . N14 N 0.4139(3) 0.4290(3) 0.2183(2) 0.0905(14) Uani 1 1 d . . . . . C24 C 0.4703(3) -0.2935(2) 0.3719(2) 0.0573(9) Uani 1 1 d . U . . . C9 C 0.1749(4) 0.0852(3) 0.5079(3) 0.0948(16) Uani 1 1 d . U . . . H9 H 0.1872 0.0307 0.5116 0.114 Uiso 1 1 calc R . . . . C41 C 0.0284(3) 0.3302(3) 0.3154(3) 0.0733(12) Uani 1 1 d . U . . . H41 H 0.0435 0.3138 0.3621 0.088 Uiso 1 1 calc R . . . . C11 C 0.0764(3) 0.1820(4) 0.5079(3) 0.0962(16) Uani 1 1 d . U . . . H11 H 0.0213 0.1933 0.5108 0.115 Uiso 1 1 calc R . . . . C7 C 0.3635(4) -0.0741(3) 0.2208(3) 0.0892(16) Uani 1 1 d . U . . . C36 C 0.3396(2) 0.4924(2) 0.5744(2) 0.0514(9) Uani 1 1 d . . . . . O8 O 0.41434(19) -0.47256(19) 0.5703(2) 0.0853(11) Uani 1 1 d . . . . . O6 O 0.46714(18) -0.40330(19) 0.4440(2) 0.0869(11) Uani 1 1 d . . . . . C3 C 0.4640(5) 0.4889(6) 0.0926(3) 0.154(4) Uani 1 1 d . U . . . C18 C 0.3882(4) 0.0779(3) 0.2111(3) 0.106(2) Uani 1 1 d . U . . . H18 H 0.4079 0.1207 0.1852 0.127 Uiso 1 1 calc R . . . . C44 C 0.1870(3) 0.3541(3) 0.3079(2) 0.0612(10) Uani 1 1 d . . . . . C35 C 0.3469(3) 0.6156(3) 0.6886(3) 0.0670(11) Uani 1 1 d . U . . . H35 H 0.4029 0.6418 0.6841 0.080 Uiso 1 1 calc R . . . . C42 C 0.0677(3) 0.3728(5) 0.2036(3) 0.112(2) Uani 1 1 d . U . . . H42 H 0.1102 0.3858 0.1754 0.134 Uiso 1 1 calc R . . . . C13 C 0.3623(3) 0.1035(3) 0.2799(2) 0.0703(12) Uani 1 1 d . U . . . C23 C 0.5088(3) -0.2112(3) 0.3648(3) 0.0714(12) Uani 1 1 d . U . . . H23 H 0.5616 -0.1803 0.3994 0.086 Uiso 1 1 calc R . . . . C32 C 0.1813(3) 0.5400(4) 0.7027(3) 0.0823(14) Uani 1 1 d . U . . . H32 H 0.1247 0.5150 0.7068 0.099 Uiso 1 1 calc R . . . . C10 C 0.0971(4) 0.0986(4) 0.5176(3) 0.0990(18) Uani 1 1 d . U . . . C15 C 0.3393(3) -0.0477(3) 0.2903(3) 0.0763(13) Uani 1 1 d . U . . . H15 H 0.3236 -0.0898 0.3181 0.092 Uiso 1 1 calc R . . . . C25 C 0.3889(3) -0.3391(3) 0.3194(3) 0.0754(12) Uani 1 1 d . U . . . H25 H 0.3608 -0.3944 0.3241 0.090 Uiso 1 1 calc R . . . . C14 C 0.3378(3) 0.0377(3) 0.3188(3) 0.0814(13) Uani 1 1 d . U . . . H14 H 0.3202 0.0525 0.3650 0.098 Uiso 1 1 calc R . . . . C8 C 0.2405(3) 0.1493(3) 0.4922(3) 0.0714(12) Uani 1 1 d . U . . . H8 H 0.2948 0.1372 0.4870 0.086 Uiso 1 1 calc R . . . . C4 C 0.5113(4) 0.5119(5) 0.1602(4) 0.116(2) Uani 1 1 d . U . . . H4 H 0.5669 0.5494 0.1692 0.139 Uiso 1 1 calc R . . . . C20 C 0.3531(5) -0.1756(4) 0.1884(3) 0.103(2) Uani 1 1 d . . . . . C12 C 0.1451(3) 0.2462(3) 0.4937(2) 0.0688(12) Uani 1 1 d . U . . . H12 H 0.1353 0.3017 0.4906 0.083 Uiso 1 1 calc R . . . . C27 C 0.5105(2) -0.3342(2) 0.4339(2) 0.0521(9) Uani 1 1 d . . . . . C1 C 0.0273(4) 0.0297(4) 0.5341(3) 0.127(2) Uani 1 1 d . . . . . H1A H 0.0561 -0.0035 0.5669 0.153 Uiso 1 1 calc R . . . . H1B H -0.0096 0.0593 0.5623 0.153 Uiso 1 1 calc R . . . . C37 C 0.1848(3) 0.6580(5) 0.8193(3) 0.103(2) Uani 1 1 d . . . . . C38 C 0.0839(3) 0.6485(4) 0.7867(3) 0.0804(14) Uani 1 1 d . U . . . C46 C 0.2289(4) 0.7557(5) 0.8567(4) 0.112(2) Uani 1 1 d . . . . . C5 C 0.4832(4) 0.4828(5) 0.2248(4) 0.126(3) Uani 1 1 d . U . . . H5 H 0.5197 0.5061 0.2741 0.151 Uiso 1 1 calc R . . . . C19 C 0.3593(3) 0.1977(3) 0.3112(2) 0.0640(11) Uani 1 1 d . . . . . C2 C 0.3804(8) 0.4573(10) 0.0899(5) 0.323(10) Uani 1 1 d . U . . . H2 H 0.3380 0.4574 0.0467 0.388 Uiso 1 1 calc R . . . . C17 C 0.3854(5) -0.0102(4) 0.1801(3) 0.122(3) Uani 1 1 d . U . . . H17 H 0.3982 -0.0264 0.1319 0.147 Uiso 1 1 calc R . . . . C40 C 0.0201(4) 0.6286(5) 0.8264(3) 0.125(3) Uani 1 1 d . U . . . H40 H 0.0359 0.6156 0.8746 0.150 Uiso 1 1 calc R . . . . F8 F 0.2854(2) 0.6007(4) 0.9008(2) 0.191(2) Uani 1 1 d . . . . . F2 F 0.4912(5) -0.1421(4) 0.1513(3) 0.173(3) Uani 1 1 d . . . . . F7 F 0.1489(3) 0.5182(4) 0.8591(3) 0.146(2) Uani 1 1 d . . . . . F4 F 0.2084(3) -0.2196(3) 0.2031(3) 0.1382(15) Uani 1 1 d . . . . . F9 F 0.1823(3) 0.6424(4) 0.9489(2) 0.189(2) Uani 1 1 d . . . . . F5 F 0.2408(4) -0.3032(2) 0.1108(2) 0.169(2) Uani 1 1 d . . . . . F3 F 0.4138(5) -0.2759(3) 0.1087(2) 0.219(3) Uani 1 1 d . . . . . F6 F 0.2226(3) -0.1698(3) 0.1025(2) 0.178(2) Uani 1 1 d . . . . . C29 C 0.2559(6) -0.2156(5) 0.1528(4) 0.114(2) Uani 1 1 d . . . . . C45 C 0.1943(5) 0.5931(9) 0.8779(4) 0.160(5) Uani 1 1 d . . . . . F1 F 0.3767(5) -0.1706(3) 0.0611(2) 0.214(3) Uani 1 1 d . . . . . C6 C 0.3514(7) 0.4212(7) 0.1539(4) 0.218(5) Uani 1 1 d . U . . . H6 H 0.2925 0.3944 0.1496 0.261 Uiso 1 1 calc R . . . . C28 C 0.4094(10) -0.1899(7) 0.1273(5) 0.181(6) Uani 1 1 d . . . . . C16 C 0.4853(8) 0.5295(7) 0.0195(7) 0.215(5) Uani 1 1 d . . . . . H16A H 0.4320 0.5390 -0.0112 0.258 Uiso 1 1 calc R . . . . H16B H 0.5292 0.5850 0.0372 0.258 Uiso 1 1 calc R . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Co1 0.0420(3) 0.0469(3) 0.0433(3) 0.0140(2) 0.01368(19) -0.0084(2) Co3 0.0305(3) 0.0341(3) 0.0444(3) 0.0152(3) 0.0129(2) 0.0014(2) Co2 0.0541(3) 0.0547(3) 0.0487(3) 0.0231(2) 0.0242(2) 0.0082(2) O3 0.0464(15) 0.088(2) 0.0603(17) 0.0323(16) 0.0086(12) 0.0074(14) O4 0.072(2) 0.162(3) 0.084(2) 0.069(2) 0.0451(17) 0.062(2) F10 0.116(3) 0.234(5) 0.127(3) -0.065(3) 0.039(2) 0.065(3) F12 0.102(3) 0.127(3) 0.156(4) -0.017(3) 0.027(3) 0.039(2) O7 0.0529(17) 0.073(2) 0.090(2) 0.0484(17) -0.0007(15) -0.0092(14) O9 0.098(2) 0.102(2) 0.0449(15) 0.0177(17) 0.0123(15) -0.0624(19) O5 0.0499(15) 0.0741(19) 0.0617(17) -0.0013(15) 0.0279(13) -0.0061(14) O2 0.151(3) 0.079(2) 0.085(2) 0.0443(18) 0.064(2) 0.064(2) F11 0.086(2) 0.254(5) 0.107(3) -0.067(3) -0.009(2) 0.047(3) N2 0.0462(18) 0.063(2) 0.0461(17) 0.0164(15) 0.0109(13) -0.0205(15) C30 0.043(2) 0.066(2) 0.065(2) 0.017(2) 0.0264(17) 0.0160(18) C21 0.111(4) 0.076(3) 0.062(3) 0.033(2) 0.016(2) 0.041(3) O1 0.094(2) 0.0497(16) 0.084(2) 0.0096(15) 0.0481(18) 0.0043(15) C26 0.108(4) 0.049(2) 0.081(3) 0.014(2) -0.009(3) 0.024(2) C31 0.051(2) 0.082(3) 0.083(3) 0.014(2) 0.032(2) 0.007(2) C34 0.067(3) 0.099(4) 0.073(3) -0.002(3) 0.025(2) 0.025(2) C39 0.068(3) 0.132(5) 0.064(3) 0.023(3) 0.033(2) 0.031(3) C33 0.050(2) 0.103(4) 0.059(2) 0.007(2) 0.0119(19) 0.035(2) C43 0.063(3) 0.120(4) 0.055(2) 0.036(2) 0.0228(19) 0.049(3) C22 0.107(4) 0.066(3) 0.097(4) 0.051(3) 0.023(3) 0.028(3) N14 0.088(3) 0.117(3) 0.047(2) 0.026(2) 0.0199(19) -0.035(2) C24 0.066(2) 0.051(2) 0.068(2) 0.030(2) 0.0232(19) 0.0220(19) C9 0.119(4) 0.050(3) 0.110(4) 0.026(3) 0.045(3) -0.020(3) C41 0.064(3) 0.109(4) 0.061(3) 0.026(2) 0.024(2) 0.037(3) C11 0.074(3) 0.096(4) 0.106(4) 0.022(3) 0.037(3) -0.024(3) C7 0.153(5) 0.077(3) 0.063(3) 0.035(2) 0.032(3) 0.060(3) C36 0.047(2) 0.039(2) 0.072(3) 0.0136(19) 0.0235(18) 0.0089(17) O8 0.0592(18) 0.0700(19) 0.117(3) -0.0158(18) 0.0585(18) -0.0099(15) O6 0.0545(17) 0.0652(19) 0.138(3) 0.068(2) -0.0104(17) -0.0069(14) C3 0.156(6) 0.201(8) 0.065(3) 0.050(4) 0.026(4) -0.073(6) C18 0.203(6) 0.086(3) 0.081(3) 0.046(3) 0.074(4) 0.091(4) C44 0.056(2) 0.084(3) 0.059(2) 0.030(2) 0.0234(19) 0.031(2) C35 0.041(2) 0.084(3) 0.078(3) 0.011(2) 0.0220(19) 0.018(2) C42 0.081(3) 0.229(7) 0.072(3) 0.075(4) 0.043(3) 0.082(4) C13 0.099(3) 0.070(3) 0.059(2) 0.027(2) 0.027(2) 0.040(2) C23 0.076(3) 0.063(3) 0.083(3) 0.038(2) 0.018(2) 0.013(2) C32 0.053(2) 0.127(4) 0.090(3) 0.036(3) 0.047(2) 0.035(3) C10 0.097(4) 0.089(4) 0.104(4) 0.039(3) 0.038(3) -0.028(3) C15 0.115(4) 0.070(3) 0.058(3) 0.031(2) 0.025(2) 0.034(3) C25 0.093(3) 0.048(2) 0.079(3) 0.019(2) 0.000(2) 0.013(2) C14 0.117(4) 0.073(3) 0.069(3) 0.034(2) 0.033(3) 0.026(3) C8 0.081(3) 0.048(2) 0.081(3) 0.018(2) 0.033(2) -0.013(2) C4 0.104(4) 0.153(6) 0.098(4) 0.068(4) 0.038(3) -0.006(4) C20 0.182(6) 0.092(4) 0.063(3) 0.032(3) 0.026(4) 0.084(4) C12 0.044(2) 0.081(3) 0.071(3) 0.013(2) 0.0192(19) -0.014(2) C27 0.045(2) 0.047(2) 0.071(2) 0.0260(19) 0.0168(18) 0.0120(17) C1 0.121(5) 0.127(6) 0.106(5) 0.030(4) 0.034(4) -0.051(4) C37 0.065(3) 0.197(7) 0.067(3) 0.029(4) 0.029(2) 0.068(4) C38 0.059(3) 0.143(5) 0.053(2) 0.021(3) 0.023(2) 0.051(3) C46 0.078(4) 0.136(6) 0.106(5) -0.028(5) 0.019(4) 0.039(4) C5 0.073(3) 0.207(7) 0.106(4) 0.100(5) 0.024(3) -0.014(4) C19 0.079(3) 0.071(3) 0.053(2) 0.024(2) 0.025(2) 0.026(2) C2 0.244(9) 0.52(2) 0.085(5) 0.078(9) 0.021(6) -0.208(14) C17 0.258(8) 0.091(4) 0.070(3) 0.046(3) 0.080(4) 0.098(5) C40 0.100(4) 0.254(8) 0.067(3) 0.073(4) 0.040(3) 0.098(5) F8 0.113(3) 0.418(8) 0.107(3) 0.108(4) 0.037(2) 0.158(4) F2 0.322(8) 0.152(5) 0.139(5) 0.081(4) 0.152(5) 0.139(5) F7 0.130(4) 0.235(6) 0.137(4) 0.102(4) 0.072(3) 0.099(4) F4 0.119(3) 0.110(3) 0.164(4) 0.036(3) -0.031(3) 0.030(2) F9 0.135(3) 0.406(8) 0.064(2) 0.056(3) 0.038(2) 0.134(4) F5 0.280(6) 0.094(3) 0.096(3) -0.005(2) -0.042(3) 0.061(3) F3 0.516(10) 0.116(3) 0.111(3) 0.055(3) 0.147(5) 0.180(5) F6 0.253(5) 0.148(3) 0.121(3) 0.046(3) -0.051(3) 0.094(3) C29 0.153(7) 0.094(5) 0.086(5) 0.024(4) -0.016(4) 0.043(5) C45 0.091(5) 0.376(17) 0.077(4) 0.103(8) 0.046(4) 0.135(8) F1 0.484(9) 0.148(4) 0.062(2) 0.039(2) 0.079(4) 0.164(5) C6 0.219(10) 0.310(13) 0.076(5) 0.042(6) 0.051(6) -0.073(9) C28 0.41(2) 0.118(8) 0.072(5) 0.040(5) 0.092(9) 0.153(10) C16 0.249(11) 0.213(11) 0.327(15) 0.180(11) 0.225(10) 0.126(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 Co1 O3 2.136(3) . ? Co1 O7 2.049(3) . ? Co1 O9 2.109(2) . ? Co1 O5 2.079(3) . ? Co1 N2 2.127(3) . ? Co1 O1 2.137(3) . ? Co3 O9 2.119(3) 1_545 ? Co3 O9 2.119(3) 2_656 ? Co3 O8 2.067(3) . ? Co3 O8 2.068(3) 2_646 ? Co3 O6 2.076(3) . ? Co3 O6 2.076(3) 2_646 ? Co2 O4 1.961(3) . ? Co2 O9 1.916(3) . ? Co2 O2 1.962(3) . ? Co2 N14 2.035(3) . ? O3 C44 1.222(4) . ? O4 C44 1.260(4) . ? F10 C46 1.360(6) . ? F12 C46 1.385(8) . ? O7 C27 1.229(4) 2_656 ? O9 Co3 2.119(3) 1_565 ? O5 C36 1.218(4) . ? O2 C19 1.275(5) . ? F11 C46 1.296(7) . ? N2 C8 1.351(5) . ? N2 C12 1.353(5) . ? C30 C31 1.438(5) . ? C30 C36 1.509(5) . ? C30 C35 1.362(6) . ? C21 C26 1.395(6) . ? C21 C22 1.438(7) . ? C21 C20 1.549(6) . ? O1 C19 1.215(4) . ? C26 C25 1.392(6) . ? C31 C32 1.391(6) . ? C34 C33 1.401(6) . ? C34 C35 1.394(6) . ? C39 C41 1.425(6) 2_566 ? C39 C38 1.347(6) . ? C33 C32 1.387(7) . ? C33 C37 1.546(6) . ? C43 C41 1.385(6) . ? C43 C44 1.523(5) . ? C43 C42 1.360(6) . ? C22 C23 1.379(6) . ? N14 C5 1.226(6) . ? N14 C6 1.347(10) . ? C24 C23 1.369(5) . ? C24 C25 1.420(6) . ? C24 C27 1.493(5) . ? C9 C10 1.321(8) . ? C9 C8 1.418(5) . ? C41 C39 1.425(6) 2_566 ? C11 C10 1.450(8) . ? C11 C12 1.436(5) . ? C7 C15 1.391(6) . ? C7 C20 1.570(7) . ? C7 C17 1.385(7) . ? C36 O8 1.228(4) 1_565 ? O8 C36 1.229(4) 1_545 ? O6 C27 1.240(4) . ? C3 C4 1.253(8) . ? C3 C2 1.309(11) . ? C3 C16 1.633(10) . ? C18 C13 1.391(6) . ? C18 C17 1.391(7) . ? C42 C40 1.387(7) 2_566 ? C13 C14 1.397(6) . ? C13 C19 1.503(6) . ? C10 C1 1.512(6) . ? C15 C14 1.358(6) . ? C4 C5 1.442(6) . ? C20 C29 1.512(10) . ? C20 C28 1.550(12) . ? C27 O7 1.229(4) 2_656 ? C1 C1 1.417(11) 2_556 ? C37 C38 1.561(6) . ? C37 C46 1.538(9) . ? C37 C45 1.612(11) . ? C38 C40 1.362(7) . ? C2 C6 1.487(10) . ? C40 C42 1.387(7) 2_566 ? F8 C45 1.396(8) . ? F2 C28 1.317(14) . ? F7 C45 1.214(12) . ? F4 C29 1.282(8) . ? F9 C45 1.435(10) . ? F5 C29 1.403(7) . ? F3 C28 1.357(9) . ? F6 C29 1.354(7) . ? F1 C28 1.322(10) . ? C16 C16 1.272(16) 2_665 ? 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 O3 Co1 O1 90.34(12) . . ? O7 Co1 O3 173.85(10) . . ? O7 Co1 O9 98.35(12) . . ? O7 Co1 O5 93.62(13) . . ? O7 Co1 N2 87.99(12) . . ? O7 Co1 O1 87.71(14) . . ? O9 Co1 O3 87.60(12) . . ? O9 Co1 N2 173.65(13) . . ? O9 Co1 O1 94.00(12) . . ? O5 Co1 O3 88.00(12) . . ? O5 Co1 O9 89.22(13) . . ? O5 Co1 N2 90.18(12) . . ? O5 Co1 O1 176.32(10) . . ? N2 Co1 O3 86.07(11) . . ? N2 Co1 O1 86.43(12) . . ? O9 Co3 O9 180.0 2_656 1_545 ? O8 Co3 O9 91.64(13) 2_646 2_656 ? O8 Co3 O9 88.36(13) . 2_656 ? O8 Co3 O9 91.64(13) . 1_545 ? O8 Co3 O9 88.36(13) 2_646 1_545 ? O8 Co3 O8 180.0 . 2_646 ? O8 Co3 O6 91.40(15) . 2_646 ? O8 Co3 O6 91.40(15) 2_646 . ? O8 Co3 O6 88.60(15) . . ? O8 Co3 O6 88.60(15) 2_646 2_646 ? O6 Co3 O9 82.08(13) . 1_545 ? O6 Co3 O9 97.92(13) 2_646 1_545 ? O6 Co3 O9 97.92(13) . 2_656 ? O6 Co3 O9 82.08(13) 2_646 2_656 ? O6 Co3 O6 180.00(8) . 2_646 ? O4 Co2 O2 113.78(17) . . ? O4 Co2 N14 98.82(16) . . ? O9 Co2 O4 102.73(15) . . ? O9 Co2 O2 110.22(16) . . ? O9 Co2 N14 128.94(14) . . ? O2 Co2 N14 102.10(17) . . ? C44 O3 Co1 138.8(3) . . ? C44 O4 Co2 122.7(3) . . ? C27 O7 Co1 137.3(2) 2_656 . ? Co1 O9 Co3 111.68(12) . 1_565 ? Co2 O9 Co1 104.75(12) . . ? Co2 O9 Co3 139.13(14) . 1_565 ? C36 O5 Co1 134.8(2) . . ? C19 O2 Co2 118.2(3) . . ? C8 N2 Co1 120.7(3) . . ? C8 N2 C12 120.1(3) . . ? C12 N2 Co1 119.1(3) . . ? C31 C30 C36 117.9(4) . . ? C35 C30 C31 118.9(4) . . ? C35 C30 C36 123.2(3) . . ? C26 C21 C22 117.8(4) . . ? C26 C21 C20 123.2(5) . . ? C22 C21 C20 118.7(5) . . ? C19 O1 Co1 140.8(3) . . ? C25 C26 C21 120.5(4) . . ? C32 C31 C30 117.7(4) . . ? C35 C34 C33 119.1(5) . . ? C38 C39 C41 122.2(4) . 2_566 ? C34 C33 C37 122.9(5) . . ? C32 C33 C34 118.6(4) . . ? C32 C33 C37 118.5(4) . . ? C41 C43 C44 118.1(4) . . ? C42 C43 C41 121.2(4) . . ? C42 C43 C44 120.6(4) . . ? C23 C22 C21 120.2(4) . . ? C5 N14 Co2 129.3(4) . . ? C5 N14 C6 114.9(5) . . ? C6 N14 Co2 113.9(4) . . ? C23 C24 C25 118.1(4) . . ? C23 C24 C27 121.7(4) . . ? C25 C24 C27 120.1(3) . . ? C10 C9 C8 123.6(5) . . ? C43 C41 C39 116.8(4) . 2_566 ? C12 C11 C10 116.9(5) . . ? C15 C7 C20 117.9(4) . . ? C17 C7 C15 117.7(4) . . ? C17 C7 C20 123.9(4) . . ? O5 C36 C30 117.4(3) . . ? O5 C36 O8 125.5(4) . 1_565 ? O8 C36 C30 117.1(4) 1_565 . ? C36 O8 Co3 136.0(3) 1_545 . ? C27 O6 Co3 133.7(3) . . ? C4 C3 C2 113.2(6) . . ? C4 C3 C16 125.4(7) . . ? C2 C3 C16 116.3(8) . . ? C17 C18 C13 121.4(5) . . ? O3 C44 O4 125.6(4) . . ? O3 C44 C43 117.5(3) . . ? O4 C44 C43 116.8(4) . . ? C30 C35 C34 122.8(4) . . ? C43 C42 C40 119.5(4) . 2_566 ? C18 C13 C14 117.2(4) . . ? C18 C13 C19 121.9(4) . . ? C14 C13 C19 120.9(4) . . ? C24 C23 C22 122.2(4) . . ? C33 C32 C31 122.9(4) . . ? C9 C10 C11 118.1(4) . . ? C9 C10 C1 123.3(6) . . ? C11 C10 C1 118.6(6) . . ? C14 C15 C7 122.0(4) . . ? C26 C25 C24 121.0(4) . . ? C15 C14 C13 121.2(4) . . ? N2 C8 C9 119.4(5) . . ? C3 C4 C5 122.8(6) . . ? C21 C20 C7 109.9(4) . . ? C21 C20 C28 106.6(5) . . ? C29 C20 C21 112.0(5) . . ? C29 C20 C7 107.5(5) . . ? C29 C20 C28 110.9(7) . . ? C28 C20 C7 109.9(6) . . ? N2 C12 C11 121.9(5) . . ? O7 C27 C24 116.4(3) 2_656 . ? O7 C27 O6 124.8(4) 2_656 . ? O6 C27 C24 118.7(4) . . ? C1 C1 C10 113.1(6) 2_556 . ? C33 C37 C38 110.4(4) . . ? C33 C37 C45 102.5(5) . . ? C38 C37 C45 107.6(5) . . ? C46 C37 C33 112.7(5) . . ? C46 C37 C38 109.3(5) . . ? C46 C37 C45 114.1(6) . . ? C39 C38 C37 116.8(4) . . ? C39 C38 C40 118.8(4) . . ? C40 C38 C37 124.2(4) . . ? F10 C46 F12 105.0(6) . . ? F10 C46 C37 110.7(6) . . ? F12 C46 C37 108.5(5) . . ? F11 C46 F10 108.1(5) . . ? F11 C46 F12 109.7(7) . . ? F11 C46 C37 114.5(6) . . ? N14 C5 C4 123.6(6) . . ? O2 C19 C13 116.3(4) . . ? O1 C19 O2 125.9(4) . . ? O1 C19 C13 117.8(4) . . ? C3 C2 C6 122.0(10) . . ? C7 C17 C18 120.3(5) . . ? C38 C40 C42 121.5(5) . 2_566 ? F4 C29 C20 113.4(6) . . ? F4 C29 F5 104.7(7) . . ? F4 C29 F6 108.4(7) . . ? F5 C29 C20 112.3(6) . . ? F6 C29 C20 111.1(6) . . ? F6 C29 F5 106.5(5) . . ? F8 C45 C37 104.5(7) . . ? F8 C45 F9 97.8(6) . . ? F7 C45 C37 119.6(7) . . ? F7 C45 F8 115.7(10) . . ? F7 C45 F9 112.6(7) . . ? F9 C45 C37 104.0(8) . . ? N14 C6 C2 117.2(8) . . ? F2 C28 C20 113.0(8) . . ? F2 C28 F3 107.3(11) . . ? F2 C28 F1 106.1(10) . . ? F3 C28 C20 110.7(8) . . ? F1 C28 C20 113.5(10) . . ? F1 C28 F3 105.8(7) . . ? C16 C16 C3 103.9(9) 2_665 . ? _shelx_res_file ; TITL 1 in P-1 CELL 0.71073 15.7925 15.8212 18.0312 100.763 100.701 100.779 ZERR 1 0.005 0.0047 0.0058 0.004 0.002 0.003 LATT 1 SFAC C H N O F Co UNIT 108 94 8 22 24 5 DELU C6 C2 C3 C4 C5 DELU C8 C12 C11 C10 C9 DELU C13 C18 C17 C7 C15 C14 DELU C22 C21 C26 C25 C24 C23 DELU C31 C30 C35 C34 C33 C32 DELU C38 C39 C40 C43 C42 C41 L.S. 20 PLAN 25 fmap 2 acta REM C:\Users\pcajl\Desktop\c3\2\1.hkl WGHT 0.111400 FVAR 34.40009 CO1 6 0.315407 0.322241 0.451506 11.00000 0.04204 0.04686 = 0.04332 0.01402 0.01368 -0.00844 CO3 6 0.500000 -0.500000 0.500000 10.50000 0.03053 0.03407 = 0.04439 0.01520 0.01286 0.00136 CO2 6 0.367735 0.373063 0.300237 11.00000 0.05407 0.05470 = 0.04874 0.02307 0.02417 0.00818 O3 4 0.203832 0.336358 0.371412 11.00000 0.04645 0.08753 = 0.06029 0.03228 0.00860 0.00741 O4 4 0.242685 0.375725 0.269068 11.00000 0.07243 0.16158 = 0.08411 0.06912 0.04507 0.06176 F10 5 0.180080 0.792195 0.902966 11.00000 0.11569 0.23360 = 0.12739 -0.06457 0.03878 0.06493 F12 5 0.228566 0.802103 0.798700 11.00000 0.10246 0.12654 = 0.15607 -0.01723 0.02665 0.03861 O7 4 0.413873 0.296559 0.529449 11.00000 0.05291 0.07342 = 0.09015 0.04843 -0.00069 -0.00919 O9 4 0.394351 0.417745 0.410326 11.00000 0.09779 0.10232 = 0.04486 0.01772 0.01226 -0.06245 O5 4 0.293705 0.423433 0.532300 11.00000 0.04988 0.07409 = 0.06167 -0.00126 0.02794 -0.00610 O2 4 0.390389 0.254388 0.275647 11.00000 0.15122 0.07869 = 0.08451 0.04425 0.06368 0.06359 F11 5 0.309001 0.769331 0.897492 11.00000 0.08586 0.25410 = 0.10703 -0.06729 -0.00898 0.04744 N2 3 0.223500 0.228284 0.484742 11.00000 0.04619 0.06286 = 0.04611 0.01642 0.01085 -0.02048 C30 1 0.302328 0.538132 0.637817 11.00000 0.04322 0.06642 = 0.06461 0.01655 0.02637 0.01595 C21 1 0.389459 -0.218258 0.254583 11.00000 0.11057 0.07645 = 0.06151 0.03276 0.01582 0.04146 O1 4 0.329581 0.213292 0.368468 11.00000 0.09444 0.04967 = 0.08399 0.00958 0.04806 0.00426 C26 1 0.350454 -0.302492 0.260931 11.00000 0.10773 0.04916 = 0.08056 0.01379 -0.00877 0.02445 AFIX 43 H26 2 0.298347 -0.334441 0.225820 11.00000 -1.20000 AFIX 0 C31 1 0.215801 0.497041 0.644744 11.00000 0.05068 0.08243 = 0.08264 0.01352 0.03198 0.00724 AFIX 43 H31 2 0.183983 0.443617 0.611608 11.00000 -1.20000 AFIX 0 C34 1 0.312013 0.657315 0.747159 11.00000 0.06700 0.09867 = 0.07313 -0.00213 0.02528 0.02507 AFIX 43 H34 2 0.344292 0.710276 0.780756 11.00000 -1.20000 AFIX 0 C39 1 0.060588 0.668901 0.717659 11.00000 0.06822 0.13219 = 0.06393 0.02295 0.03252 0.03065 AFIX 43 H39 2 0.104041 0.682839 0.690626 11.00000 -1.20000 AFIX 0 C33 1 0.227684 0.618338 0.754658 11.00000 0.05026 0.10305 = 0.05946 0.00654 0.01193 0.03503 C43 1 0.091295 0.354887 0.274442 11.00000 0.06314 0.11985 = 0.05526 0.03604 0.02282 0.04919 C22 1 0.471861 -0.172666 0.308177 11.00000 0.10737 0.06643 = 0.09718 0.05135 0.02340 0.02794 AFIX 43 H22 2 0.500299 -0.117022 0.304605 11.00000 -1.20000 AFIX 0 N14 3 0.413900 0.429037 0.218346 11.00000 0.08781 0.11672 = 0.04741 0.02553 0.01986 -0.03515 C24 1 0.470273 -0.293490 0.371886 11.00000 0.06584 0.05094 = 0.06834 0.02957 0.02317 0.02197 C9 1 0.174862 0.085182 0.507913 11.00000 0.11896 0.05001 = 0.11002 0.02579 0.04485 -0.01984 AFIX 43 H9 2 0.187175 0.030697 0.511642 11.00000 -1.20000 AFIX 0 C41 1 0.028414 0.330202 0.315358 11.00000 0.06392 0.10887 = 0.06061 0.02603 0.02371 0.03720 AFIX 43 H41 2 0.043543 0.313836 0.362118 11.00000 -1.20000 AFIX 0 C11 1 0.076431 0.181965 0.507916 11.00000 0.07449 0.09615 = 0.10645 0.02208 0.03744 -0.02387 AFIX 43 H11 2 0.021280 0.193285 0.510777 11.00000 -1.20000 AFIX 0 C7 1 0.363465 -0.074076 0.220801 11.00000 0.15269 0.07659 = 0.06291 0.03518 0.03198 0.06030 C36 1 0.339632 0.492362 0.574431 11.00000 0.04691 0.03948 = 0.07181 0.01359 0.02352 0.00890 O8 4 0.414344 -0.472557 0.570268 11.00000 0.05919 0.07003 = 0.11701 -0.01585 0.05849 -0.00986 O6 4 0.467135 -0.403298 0.444025 11.00000 0.05449 0.06515 = 0.13762 0.06760 -0.01041 -0.00691 C3 1 0.464021 0.488861 0.092646 11.00000 0.15643 0.20097 = 0.06546 0.05006 0.02569 -0.07276 C18 1 0.388219 0.077930 0.211064 11.00000 0.20258 0.08595 = 0.08132 0.04633 0.07404 0.09063 AFIX 43 H18 2 0.407873 0.120667 0.185163 11.00000 -1.20000 AFIX 0 C44 1 0.186972 0.354077 0.307927 11.00000 0.05632 0.08371 = 0.05912 0.02960 0.02335 0.03104 C35 1 0.346871 0.615591 0.688619 11.00000 0.04060 0.08397 = 0.07819 0.01074 0.02202 0.01819 AFIX 43 H35 2 0.402940 0.641783 0.684073 11.00000 -1.20000 AFIX 0 C42 1 0.067741 0.372761 0.203556 11.00000 0.08104 0.22851 = 0.07209 0.07454 0.04340 0.08171 AFIX 43 H42 2 0.110220 0.385791 0.175368 11.00000 -1.20000 AFIX 0 C13 1 0.362308 0.103538 0.279918 11.00000 0.09855 0.07039 = 0.05894 0.02737 0.02686 0.03955 C23 1 0.508787 -0.211242 0.364821 11.00000 0.07562 0.06313 = 0.08299 0.03829 0.01753 0.01341 AFIX 43 H23 2 0.561649 -0.180347 0.399404 11.00000 -1.20000 AFIX 0 C32 1 0.181318 0.539953 0.702720 11.00000 0.05288 0.12704 = 0.08973 0.03646 0.04651 0.03481 AFIX 43 H32 2 0.124685 0.514979 0.706831 11.00000 -1.20000 AFIX 0 C10 1 0.097134 0.098583 0.517587 11.00000 0.09701 0.08872 = 0.10441 0.03931 0.03824 -0.02802 C15 1 0.339262 -0.047711 0.290318 11.00000 0.11474 0.06975 = 0.05806 0.03093 0.02454 0.03367 AFIX 43 H15 2 0.323597 -0.089776 0.318136 11.00000 -1.20000 AFIX 0 C25 1 0.388862 -0.339150 0.319382 11.00000 0.09268 0.04750 = 0.07868 0.01946 0.00017 0.01256 AFIX 43 H25 2 0.360773 -0.394393 0.324119 11.00000 -1.20000 AFIX 0 C14 1 0.337815 0.037656 0.318811 11.00000 0.11655 0.07264 = 0.06878 0.03375 0.03292 0.02594 AFIX 43 H14 2 0.320200 0.052498 0.365043 11.00000 -1.20000 AFIX 0 C8 1 0.240520 0.149337 0.492157 11.00000 0.08098 0.04816 = 0.08074 0.01778 0.03287 -0.01337 AFIX 43 H8 2 0.294792 0.137191 0.486975 11.00000 -1.20000 AFIX 0 C4 1 0.511324 0.511915 0.160250 11.00000 0.10440 0.15334 = 0.09782 0.06807 0.03764 -0.00553 AFIX 43 H4 2 0.566899 0.549379 0.169160 11.00000 -1.20000 AFIX 0 C20 1 0.353113 -0.175630 0.188433 11.00000 0.18175 0.09159 = 0.06285 0.03178 0.02592 0.08366 C12 1 0.145050 0.246209 0.493721 11.00000 0.04376 0.08098 = 0.07076 0.01320 0.01923 -0.01431 AFIX 43 H12 2 0.135292 0.301749 0.490609 11.00000 -1.20000 AFIX 0 C27 1 0.510522 -0.334189 0.433945 11.00000 0.04496 0.04722 = 0.07122 0.02605 0.01680 0.01196 C1 1 0.027266 0.029744 0.534064 11.00000 0.12091 0.12672 = 0.10635 0.03035 0.03400 -0.05076 AFIX 23 H1A 2 0.056100 -0.003521 0.566905 11.00000 -1.20000 H1B 2 -0.009596 0.059315 0.562349 11.00000 -1.20000 AFIX 0 C37 1 0.184771 0.657975 0.819269 11.00000 0.06514 0.19679 = 0.06732 0.02909 0.02939 0.06764 C38 1 0.083872 0.648535 0.786725 11.00000 0.05932 0.14328 = 0.05340 0.02126 0.02275 0.05062 C46 1 0.228948 0.755696 0.856709 11.00000 0.07774 0.13562 = 0.10553 -0.02816 0.01890 0.03937 C5 1 0.483212 0.482795 0.224817 11.00000 0.07292 0.20691 = 0.10583 0.10024 0.02443 -0.01427 AFIX 43 H5 2 0.519689 0.506093 0.274076 11.00000 -1.20000 AFIX 0 C19 1 0.359326 0.197660 0.311213 11.00000 0.07914 0.07142 = 0.05292 0.02381 0.02473 0.02600 C2 1 0.380441 0.457259 0.089941 11.00000 0.24378 0.51756 = 0.08523 0.07835 0.02089 -0.20800 AFIX 43 H2 2 0.337966 0.457367 0.046686 11.00000 -1.20000 AFIX 0 C17 1 0.385356 -0.010228 0.180137 11.00000 0.25840 0.09091 = 0.06982 0.04564 0.07953 0.09804 AFIX 43 H17 2 0.398210 -0.026373 0.131901 11.00000 -1.20000 AFIX 0 C40 1 0.020147 0.628597 0.826370 11.00000 0.09990 0.25406 = 0.06657 0.07265 0.04027 0.09794 AFIX 43 H40 2 0.035914 0.615610 0.874566 11.00000 -1.20000 AFIX 0 F8 5 0.285358 0.600709 0.900817 11.00000 0.11266 0.41788 = 0.10724 0.10808 0.03748 0.15842 F2 5 0.491244 -0.142130 0.151341 11.00000 0.32154 0.15233 = 0.13902 0.08149 0.15162 0.13862 F7 5 0.148880 0.518173 0.859075 11.00000 0.13015 0.23451 = 0.13690 0.10203 0.07212 0.09888 F4 5 0.208426 -0.219560 0.203070 11.00000 0.11899 0.10976 = 0.16355 0.03634 -0.03113 0.03003 F9 5 0.182275 0.642392 0.948922 11.00000 0.13460 0.40585 = 0.06443 0.05630 0.03802 0.13410 F5 5 0.240791 -0.303204 0.110768 11.00000 0.27977 0.09428 = 0.09609 -0.00453 -0.04154 0.06090 F3 5 0.413834 -0.275873 0.108718 11.00000 0.51554 0.11585 = 0.11119 0.05472 0.14671 0.18035 F6 5 0.222610 -0.169826 0.102495 11.00000 0.25259 0.14793 = 0.12058 0.04616 -0.05109 0.09387 C29 1 0.255928 -0.215597 0.152795 11.00000 0.15323 0.09354 = 0.08570 0.02426 -0.01575 0.04343 C45 1 0.194283 0.593054 0.877852 11.00000 0.09066 0.37644 = 0.07684 0.10271 0.04582 0.13524 F1 5 0.376709 -0.170574 0.061135 11.00000 0.48369 0.14845 = 0.06153 0.03886 0.07868 0.16433 C6 1 0.351369 0.421214 0.153896 11.00000 0.21874 0.30954 = 0.07573 0.04212 0.05121 -0.07324 AFIX 43 H6 2 0.292462 0.394377 0.149596 11.00000 -1.20000 AFIX 0 C28 1 0.409392 -0.189884 0.127285 11.00000 0.41460 0.11794 = 0.07164 0.04023 0.09174 0.15283 C16 1 0.485269 0.529483 0.019478 11.00000 0.24919 0.21297 = 0.32663 0.18032 0.22538 0.12602 AFIX 23 H16A 2 0.432031 0.539015 -0.011163 11.00000 -1.20000 H16B 2 0.529238 0.585025 0.037151 11.00000 -1.20000 AFIX 0 HKLF 4 REM 1 in P-1 REM R1 = 0.0702 for 9439 Fo > 4sig(Fo) and 0.0902 for all 18371 data REM 646 parameters refined using 56 restraints END WGHT 0.1115 0.0000 REM Highest difference peak 0.578, deepest hole -0.662, 1-sigma level 0.087 Q1 1 0.4600 0.3992 0.1005 11.00000 0.05 0.58 Q2 1 0.4353 0.3681 0.1722 11.00000 0.05 0.55 Q3 1 0.4410 0.3787 0.4128 11.00000 0.05 0.50 Q4 1 0.4538 0.3835 0.1861 11.00000 0.05 0.49 Q5 1 0.4750 0.5261 -0.0279 11.00000 0.05 0.46 Q6 1 0.4642 0.5367 0.0212 11.00000 0.05 0.46 Q7 1 0.3579 0.4636 0.0898 11.00000 0.05 0.45 Q8 1 0.5406 0.5452 0.3417 11.00000 0.05 0.41 Q9 1 0.3153 0.3964 0.3580 11.00000 0.05 0.40 Q10 1 0.4612 0.5087 0.1021 11.00000 0.05 0.39 Q11 1 0.5686 0.5895 0.0512 11.00000 0.05 0.35 Q12 1 0.3792 -0.4586 0.5186 11.00000 0.05 0.34 Q13 1 0.4383 -0.0538 0.3391 11.00000 0.05 0.34 Q14 1 0.3013 0.2622 0.2351 11.00000 0.05 0.33 Q15 1 0.4195 0.0253 0.3189 11.00000 0.05 0.33 Q16 1 0.4239 0.4234 0.1483 11.00000 0.05 0.32 Q17 1 0.4174 0.3533 0.2906 11.00000 0.05 0.32 Q18 1 0.2417 0.4148 0.1662 11.00000 0.05 0.31 Q19 1 0.4050 0.0041 0.3596 11.00000 0.05 0.31 Q20 1 0.4733 -0.2884 0.2489 11.00000 0.05 0.30 Q21 1 0.4387 0.1296 0.1792 11.00000 0.05 0.30 Q22 1 0.0651 0.3060 0.4264 11.00000 0.05 0.30 Q23 1 0.2604 0.3123 0.3558 11.00000 0.05 0.30 Q24 1 0.5537 0.5187 0.1064 11.00000 0.05 0.30 Q25 1 0.3231 0.4884 0.0214 11.00000 0.05 0.29 ; _shelx_res_checksum 93347 _shelx_hkl_file ; 0 0 226464460 6652 0.61833-0.64243-0.75090 0.75090-0.23196 0.15307 -7859 147.96 -1.94 1.0000 0 0 -225037060 8196 0.63132-0.60723-0.76093 0.76093-0.14968 0.22856 19789 147.96 1.94 1.0000 0 0 -226055810 2933 0.24096-0.21688 0.97006-0.97006-0.03032 0.10929 1590 147.96 1.94 1.0000 0 0 225662952 3406 0.29634-0.32037 0.94572-0.94572-0.13333 0.05436 6164 147.96 -1.94 1.0000 0 0 -313834982 77837 0.22649-0.19036 0.97400-0.97400-0.00433 0.1227911776760 8.28 -0.67 1.0000 0 0 313828864 78553 0.30960-0.34565 0.93748-0.93748-0.15894 0.0404811771114 8.28 0.67 1.0000 0 0 4 2812978 114132 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