#-----------------------------------------------------------------------------80 # The CIF's of three structures are given below # 1 = compound 1 # 2 = compound 2 # 3 = compound 3 # separated by #===END #-----------------------------------------------------------------------------80 data_global _publ_contact_author ; Dr. Pablo Garc\'ia-\'Alvarez Departamento de Qu\'imica Org\'anica e Inorg\'anica - I.U.Q.O.E.M. Facultad de Qu\'imica Universidad de Oviedo - C.S.I.C. 33071 Oviedo, Spain ; _publ_contact_author_email 'pga@uniovi.es' #-----------------------------------------------------------------------------80 #Publication details loop_ _publ_author_name 'Cabeza, J. A.' 'Garc\'ia-\'Alvarez, P.' 'P\'erez-Carreno, E.' 'Polo, D.' _publ_requested_journal 'Inorg. Chem.' _journal_name_full ; Inorganic Chemistry ; _publ_section_title ; Conversion of a Monodentate Amidinate-Germylene Ligand into Chelating Imine-Germanate Ligands (on Mononuclear Manganese Complexes) ; #-----------------------------------------------------------------------------80 # Data for compound 1 (local labelling xn13008-dp399) data_xn13008-dp399 _audit_creation_method SHELXL-97 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C21 H28 Br Ge Mn N2 O4' _chemical_formula_sum 'C21 H28 Br Ge Mn N2 O4' _chemical_formula_weight 579.89 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Br' 'Br' -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ge' 'Ge' -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mn' 'Mn' -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C c' _space_group_name_Hall 'C -2yc ' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' _cell_length_a 18.8862(2) _cell_length_b 18.9089(2) _cell_length_c 27.9588(3) _cell_angle_alpha 90.00 _cell_angle_beta 91.0160(10) _cell_angle_gamma 90.00 _cell_volume 9983.00(18) _cell_formula_units_Z 16 _cell_measurement_temperature 123(2) _cell_measurement_reflns_used 14193 _cell_measurement_theta_min 3.2850 _cell_measurement_theta_max 69.1590 _exptl_crystal_description fragment _exptl_crystal_colour colourless _exptl_crystal_size_max 0.1646 _exptl_crystal_size_mid 0.1153 _exptl_crystal_size_min 0.0484 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.543 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4672 _exptl_absorpt_coefficient_mu 7.702 _exptl_absorpt_correction_T_min 0.80034 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET) (compiled Dec 3 2012,18:21:49) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_special_details ? _diffrn_ambient_temperature 123(2) _diffrn_radiation_wavelength 1.54180 _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_source 'Nova (Cu) X-ray Source' _diffrn_radiation_monochromator 'mirror' _diffrn_measurement_device_type 'Xcalibur, Onyx, Nova' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 23047 _diffrn_reflns_av_R_equivalents 0.0322 _diffrn_reflns_av_sigmaI/netI 0.0423 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 33 _diffrn_reflns_theta_min 3.31 _diffrn_reflns_theta_max 69.31 _reflns_number_total 13044 _reflns_number_gt 12448 _reflns_threshold_expression >2sigma(I) _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET) (compiled Dec 3 2012,18:21:49) ; _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET) (compiled Dec 3 2012,18:21:49) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET) (compiled Dec 3 2012,18:21:49) ; _computing_structure_solution 'SIR-97 (Giacovazzo, 1999)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'MERCUY CSD 3.1 (Build RC5)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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.The crystal of xn13008-dp399 was a racemic twin and was refined using the TWIN order. The crystal was found to contain four symmetry-independent but analogous molecules in the asymmetric unit, each molecule exhibiting some positional disorder involving the Br atom and an adjacent CO ligand cis to the germylene ligand. This two ligands exchange their positions with occupancy ratios of 96:4, 83:17, 78:22 and 81:19 for each molecule, the greater occupancy corresponding to a situation in which the Br atom is aligned syn to the tBu group. Restraints on the thermal and geometrical parameters of the atoms involved in this positional disorder were applied. ; _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^)+(0.0723P)^2^+34.9689P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.00 _refine_ls_number_reflns 13044 _refine_ls_number_parameters 1119 _refine_ls_number_restraints 38 _refine_ls_R_factor_all 0.0510 _refine_ls_R_factor_gt 0.0487 _refine_ls_wR_factor_ref 0.1305 _refine_ls_wR_factor_gt 0.1282 _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_restrained_S_all 1.047 _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 C1 C 1.0649(4) 0.9167(4) 0.4155(4) 0.0431(18) Uani 1 1 d . . . H1A H 1.0500 0.9290 0.4479 0.065 Uiso 1 1 calc R . . H1B H 1.0832 0.9590 0.3997 0.065 Uiso 1 1 calc R . . H1C H 1.1021 0.8806 0.4174 0.065 Uiso 1 1 calc R . . C2 C 1.0252(6) 0.8687(6) 0.3370(3) 0.056(3) Uani 1 1 d . . . H2A H 1.0620 0.8322 0.3388 0.084 Uiso 1 1 calc R . . H2B H 1.0438 0.9107 0.3209 0.084 Uiso 1 1 calc R . . H2C H 0.9842 0.8505 0.3188 0.084 Uiso 1 1 calc R . . C3 C 1.0027(4) 0.8884(4) 0.3874(3) 0.0370(17) Uani 1 1 d . A . H3 H 0.9659 0.9263 0.3849 0.044 Uiso 1 1 calc R . . C4 C 0.9203(4) 0.8289(4) 0.4413(3) 0.0326(16) Uani 1 1 d . A . C5 C 0.8813(4) 0.8944(4) 0.4559(3) 0.0411(19) Uani 1 1 d . . . C6 C 0.9095(6) 0.9372(5) 0.4911(4) 0.053(2) Uani 1 1 d . . . H6 H 0.9531 0.9245 0.5063 0.064 Uiso 1 1 calc R . . C7 C 0.8751(10) 0.9987(5) 0.5048(6) 0.092(5) Uani 1 1 d . . . H7 H 0.8952 1.0287 0.5287 0.110 Uiso 1 1 calc R . . C8 C 0.8114(10) 1.0154(7) 0.4832(7) 0.102(7) Uani 1 1 d . . . H8 H 0.7862 1.0560 0.4935 0.122 Uiso 1 1 calc R . . C9 C 0.7829(8) 0.9737(9) 0.4461(7) 0.101(7) Uani 1 1 d . . . H9 H 0.7405 0.9879 0.4300 0.122 Uiso 1 1 calc R . . C10 C 0.8174(7) 0.9105(7) 0.4326(5) 0.074(4) Uani 1 1 d . . . H10 H 0.7978 0.8802 0.4086 0.089 Uiso 1 1 calc R . . C11 C 0.8547(5) 0.7492(5) 0.4970(4) 0.049(2) Uani 1 1 d . A . H11 H 0.8144 0.7832 0.4936 0.059 Uiso 1 1 calc R . . C12 C 0.8248(5) 0.6744(5) 0.4892(5) 0.062(3) Uani 1 1 d . . . H12A H 0.7831 0.6768 0.4679 0.093 Uiso 1 1 calc R . . H12B H 0.8112 0.6544 0.5201 0.093 Uiso 1 1 calc R . . H12C H 0.8609 0.6444 0.4748 0.093 Uiso 1 1 calc R . . C13 C 0.8863(5) 0.7586(5) 0.5461(4) 0.052(2) Uani 1 1 d . . . H13A H 0.9265 0.7264 0.5504 0.078 Uiso 1 1 calc R . . H13B H 0.8505 0.7481 0.5700 0.078 Uiso 1 1 calc R . . H13C H 0.9025 0.8076 0.5500 0.078 Uiso 1 1 calc R . . C17 C 0.9159(7) 0.6009(6) 0.3803(6) 0.089(5) Uani 1 1 d . . . H17A H 0.8780 0.6022 0.4038 0.133 Uiso 1 1 calc R . . H17B H 0.9579 0.5783 0.3946 0.133 Uiso 1 1 calc R . . H17C H 0.9000 0.5738 0.3523 0.133 Uiso 1 1 calc R . . C15 C 0.9898(8) 0.6784(8) 0.3243(4) 0.088(5) Uani 1 1 d . . . H15A H 0.9671 0.6630 0.2943 0.132 Uiso 1 1 calc R . . H15B H 1.0287 0.6460 0.3327 0.132 Uiso 1 1 calc R . . H15C H 1.0086 0.7263 0.3204 0.132 Uiso 1 1 calc R . . C16 C 0.8672(7) 0.7191(8) 0.3505(6) 0.094(5) Uani 1 1 d . . . H16A H 0.8399 0.6918 0.3268 0.141 Uiso 1 1 calc R . . H16B H 0.8803 0.7649 0.3368 0.141 Uiso 1 1 calc R . . H16C H 0.8384 0.7268 0.3789 0.141 Uiso 1 1 calc R . . C14 C 0.9347(5) 0.6781(5) 0.3648(4) 0.060(3) Uani 1 1 d . . . C18 C 0.9855(5) 0.3564(5) 0.5464(3) 0.049(2) Uani 1 1 d . . . H18A H 0.9365 0.3403 0.5497 0.073 Uiso 1 1 calc R . . H18B H 0.9955 0.3939 0.5697 0.073 Uiso 1 1 calc R . . H18C H 1.0178 0.3167 0.5521 0.073 Uiso 1 1 calc R . . C19 C 1.0708(5) 0.4119(4) 0.4892(4) 0.050(2) Uani 1 1 d . . . H19A H 1.1040 0.3721 0.4903 0.075 Uiso 1 1 calc R . . H19B H 1.0831 0.4456 0.5146 0.075 Uiso 1 1 calc R . . H19C H 1.0735 0.4354 0.4581 0.075 Uiso 1 1 calc R . . C20 C 0.9957(4) 0.3847(4) 0.4963(3) 0.0396(18) Uani 1 1 d . B . H20 H 0.9627 0.4256 0.4918 0.048 Uiso 1 1 calc R . . C21 C 0.9144(4) 0.3179(4) 0.4421(3) 0.0319(16) Uani 1 1 d . B . C22 C 0.8489(4) 0.3587(4) 0.4561(3) 0.0401(19) Uani 1 1 d . . . C23 C 0.8039(5) 0.3326(6) 0.4907(4) 0.050(2) Uani 1 1 d . . . H23 H 0.8136 0.2890 0.5063 0.060 Uiso 1 1 calc R . . C24 C 0.7442(5) 0.3722(8) 0.5018(5) 0.073(4) Uani 1 1 d . . . H24 H 0.7132 0.3549 0.5255 0.088 Uiso 1 1 calc R . . C25 C 0.7290(6) 0.4333(8) 0.4804(6) 0.085(5) Uani 1 1 d . . . H25 H 0.6881 0.4590 0.4893 0.102 Uiso 1 1 calc R . . C26 C 0.7741(8) 0.4608(7) 0.4439(6) 0.081(4) Uani 1 1 d . . . H26 H 0.7633 0.5040 0.4280 0.097 Uiso 1 1 calc R . . C27 C 0.8342(6) 0.4219(5) 0.4325(4) 0.055(3) Uani 1 1 d . . . H27 H 0.8652 0.4386 0.4086 0.066 Uiso 1 1 calc R . . C28 C 0.8522(4) 0.2342(4) 0.3874(3) 0.0381(17) Uani 1 1 d . B . H28 H 0.8158 0.2722 0.3834 0.046 Uiso 1 1 calc R . . C30 C 0.8719(6) 0.2082(5) 0.3380(3) 0.051(2) Uani 1 1 d . . . H30A H 0.8914 0.2475 0.3196 0.076 Uiso 1 1 calc R . . H30B H 0.8296 0.1897 0.3215 0.076 Uiso 1 1 calc R . . H30C H 0.9074 0.1706 0.3410 0.076 Uiso 1 1 calc R . . C29 C 0.8203(5) 0.1754(4) 0.4168(4) 0.046(2) Uani 1 1 d . . . H29A H 0.8552 0.1375 0.4212 0.069 Uiso 1 1 calc R . . H29B H 0.7783 0.1567 0.4001 0.069 Uiso 1 1 calc R . . H29C H 0.8068 0.1939 0.4481 0.069 Uiso 1 1 calc R . . C33 C 1.0256(5) 0.3620(5) 0.3510(4) 0.055(3) Uani 1 1 d . . . H33A H 1.0293 0.3978 0.3763 0.083 Uiso 1 1 calc R . . H33B H 0.9756 0.3510 0.3446 0.083 Uiso 1 1 calc R . . H33C H 1.0470 0.3802 0.3218 0.083 Uiso 1 1 calc R . . C31 C 1.0645(6) 0.2415(6) 0.3262(3) 0.059(3) Uani 1 1 d . . . H31A H 1.0158 0.2261 0.3192 0.088 Uiso 1 1 calc R . . H31B H 1.0933 0.2005 0.3355 0.088 Uiso 1 1 calc R . . H31C H 1.0843 0.2635 0.2977 0.088 Uiso 1 1 calc R . . C32 C 1.1415(5) 0.3148(6) 0.3822(4) 0.060(3) Uani 1 1 d . . . H32A H 1.1658 0.3355 0.3548 0.090 Uiso 1 1 calc R . . H32B H 1.1668 0.2721 0.3928 0.090 Uiso 1 1 calc R . . H32C H 1.1406 0.3491 0.4084 0.090 Uiso 1 1 calc R . . C34 C 1.0644(4) 0.2950(4) 0.3671(3) 0.0423(19) Uani 1 1 d . . . C35 C 0.1720(4) 1.1582(4) 0.2175(4) 0.0437(19) Uani 1 1 d . . . H35A H 0.1839 1.1675 0.1842 0.066 Uiso 1 1 calc R . . H35B H 0.1595 1.2028 0.2332 0.066 Uiso 1 1 calc R . . H35C H 0.1317 1.1257 0.2186 0.066 Uiso 1 1 calc R . . C36 C 0.2178(5) 1.1050(5) 0.2939(3) 0.0440(19) Uani 1 1 d . . . H36A H 0.1770 1.0730 0.2936 0.066 Uiso 1 1 calc R . . H36B H 0.2065 1.1476 0.3122 0.066 Uiso 1 1 calc R . . H36C H 0.2587 1.0812 0.3087 0.066 Uiso 1 1 calc R . . C37 C 0.2350(4) 1.1254(4) 0.2432(3) 0.0337(16) Uani 1 1 d . C . H37 H 0.2736 1.1616 0.2447 0.040 Uiso 1 1 calc R . . C38 C 0.3125(4) 1.0659(4) 0.1845(3) 0.0279(15) Uani 1 1 d . C . C39 C 0.3503(5) 1.1302(4) 0.1705(3) 0.0406(18) Uani 1 1 d . . . C40 C 0.3213(5) 1.1760(4) 0.1367(4) 0.047(2) Uani 1 1 d . . . H40 H 0.2770 1.1655 0.1217 0.056 Uiso 1 1 calc R . . C41 C 0.3572(6) 1.2369(5) 0.1250(4) 0.063(3) Uani 1 1 d . . . H41 H 0.3374 1.2685 0.1021 0.075 Uiso 1 1 calc R . . C42 C 0.4208(9) 1.2519(7) 0.1462(5) 0.087(5) Uani 1 1 d . . . H42 H 0.4448 1.2944 0.1383 0.105 Uiso 1 1 calc R . . C43 C 0.4504(8) 1.2063(7) 0.1788(5) 0.079(4) Uani 1 1 d . . . H43 H 0.4956 1.2165 0.1926 0.095 Uiso 1 1 calc R . . C44 C 0.4152(5) 1.1458(6) 0.1917(4) 0.057(3) Uani 1 1 d . . . H44 H 0.4352 1.1149 0.2151 0.069 Uiso 1 1 calc R . . C45 C 0.3717(4) 0.9845(4) 0.1286(3) 0.0396(18) Uani 1 1 d . C . H45 H 0.4129 1.0174 0.1319 0.048 Uiso 1 1 calc R . . C47 C 0.3985(5) 0.9086(5) 0.1337(4) 0.058(3) Uani 1 1 d . . . H47A H 0.4114 0.8995 0.1673 0.087 Uiso 1 1 calc R . . H47B H 0.4402 0.9021 0.1138 0.087 Uiso 1 1 calc R . . H47C H 0.3612 0.8757 0.1235 0.087 Uiso 1 1 calc R . . C46 C 0.3375(5) 0.9952(5) 0.0791(3) 0.052(2) Uani 1 1 d . . . H46A H 0.2969 0.9633 0.0753 0.078 Uiso 1 1 calc R . . H46B H 0.3723 0.9850 0.0544 0.078 Uiso 1 1 calc R . . H46C H 0.3214 1.0443 0.0759 0.078 Uiso 1 1 calc R . . C50 C 0.3592(6) 0.9458(7) 0.2746(4) 0.068(3) Uani 1 1 d . . . H50A H 0.3479 0.9919 0.2886 0.102 Uiso 1 1 calc R . . H50B H 0.3893 0.9525 0.2468 0.102 Uiso 1 1 calc R . . H50C H 0.3842 0.9167 0.2985 0.102 Uiso 1 1 calc R . . C48 C 0.3040(8) 0.8336(5) 0.2396(5) 0.076(4) Uani 1 1 d . . . H48A H 0.3294 0.8054 0.2638 0.114 Uiso 1 1 calc R . . H48B H 0.3321 0.8362 0.2106 0.114 Uiso 1 1 calc R . . H48C H 0.2583 0.8113 0.2321 0.114 Uiso 1 1 calc R . . C49 C 0.2412(7) 0.9065(6) 0.3005(4) 0.069(3) Uani 1 1 d . . . H49A H 0.2636 0.8813 0.3274 0.103 Uiso 1 1 calc R . . H49B H 0.1977 0.8819 0.2906 0.103 Uiso 1 1 calc R . . H49C H 0.2296 0.9548 0.3104 0.103 Uiso 1 1 calc R . . C51 C 0.2914(6) 0.9091(5) 0.2592(3) 0.051(2) Uani 1 1 d . . . C52 C 0.2433(5) 0.5976(5) 0.0795(3) 0.047(2) Uani 1 1 d . . . H52A H 0.2930 0.5841 0.0759 0.071 Uiso 1 1 calc R . . H52B H 0.2302 0.6326 0.0551 0.071 Uiso 1 1 calc R . . H52C H 0.2132 0.5556 0.0757 0.071 Uiso 1 1 calc R . . C53 C 0.1578(5) 0.6544(5) 0.1346(4) 0.051(2) Uani 1 1 d . . . H53A H 0.1252 0.6145 0.1303 0.077 Uiso 1 1 calc R . . H53B H 0.1471 0.6908 0.1106 0.077 Uiso 1 1 calc R . . H53C H 0.1524 0.6743 0.1667 0.077 Uiso 1 1 calc R . . C54 C 0.2332(4) 0.6290(4) 0.1289(3) 0.0387(18) Uani 1 1 d . D . H54 H 0.2656 0.6705 0.1326 0.046 Uiso 1 1 calc R . . C55 C 0.3153(4) 0.5673(4) 0.1852(3) 0.0287(15) Uani 1 1 d . D . C56 C 0.3802(4) 0.6068(4) 0.1719(3) 0.0365(17) Uani 1 1 d . . . C57 C 0.4246(4) 0.5803(5) 0.1381(3) 0.045(2) Uani 1 1 d . . . H57 H 0.4133 0.5369 0.1227 0.054 Uiso 1 1 calc R . . C58 C 0.4859(5) 0.6159(6) 0.1259(5) 0.067(3) Uani 1 1 d . . . H58 H 0.5164 0.5980 0.1022 0.081 Uiso 1 1 calc R . . C59 C 0.5014(6) 0.6806(7) 0.1505(5) 0.075(4) Uani 1 1 d . . . H59 H 0.5433 0.7060 0.1433 0.089 Uiso 1 1 calc R . . C60 C 0.4577(8) 0.7053(7) 0.1831(6) 0.087(5) Uani 1 1 d . . . H60 H 0.4690 0.7489 0.1983 0.105 Uiso 1 1 calc R . . C61 C 0.3972(6) 0.6710(5) 0.1959(5) 0.061(3) Uani 1 1 d . . . H61 H 0.3676 0.6893 0.2201 0.073 Uiso 1 1 calc R . . C62 C 0.3764(5) 0.4879(4) 0.2441(3) 0.045(2) Uani 1 1 d . D . H62 H 0.4140 0.5251 0.2441 0.053 Uiso 1 1 calc R . . C63 C 0.4051(5) 0.4229(5) 0.2203(4) 0.050(2) Uani 1 1 d . . . H63A H 0.3692 0.3855 0.2204 0.075 Uiso 1 1 calc R . . H63B H 0.4476 0.4068 0.2377 0.075 Uiso 1 1 calc R . . H63C H 0.4172 0.4342 0.1872 0.075 Uiso 1 1 calc R . . C64 C 0.3575(7) 0.4729(7) 0.2955(4) 0.071(3) Uani 1 1 d . . . H64A H 0.3344 0.5144 0.3091 0.107 Uiso 1 1 calc R . . H64B H 0.4007 0.4621 0.3140 0.107 Uiso 1 1 calc R . . H64C H 0.3253 0.4323 0.2966 0.107 Uiso 1 1 calc R . . C65 C 0.1639(8) 0.4875(6) 0.2985(4) 0.077(4) Uani 1 1 d . . . H65A H 0.1302 0.5005 0.3233 0.115 Uiso 1 1 calc R . . H65B H 0.2119 0.4861 0.3124 0.115 Uiso 1 1 calc R . . H65C H 0.1516 0.4408 0.2856 0.115 Uiso 1 1 calc R . . C66 C 0.0848(6) 0.5552(6) 0.2404(6) 0.080(4) Uani 1 1 d . . . H66A H 0.0636 0.5101 0.2306 0.120 Uiso 1 1 calc R . . H66B H 0.0847 0.5876 0.2130 0.120 Uiso 1 1 calc R . . H66C H 0.0574 0.5759 0.2662 0.120 Uiso 1 1 calc R . . C67 C 0.1958(7) 0.6112(6) 0.2742(5) 0.072(3) Uani 1 1 d . . . H67A H 0.1948 0.6456 0.2479 0.107 Uiso 1 1 calc R . . H67B H 0.2451 0.6017 0.2837 0.107 Uiso 1 1 calc R . . H67C H 0.1703 0.6305 0.3015 0.107 Uiso 1 1 calc R . . C68 C 0.1608(5) 0.5429(5) 0.2577(4) 0.054(2) Uani 1 1 d . . . C101 C 1.0716(4) 0.7687(4) 0.5000(3) 0.0368(17) Uani 1 1 d . A . C102 C 1.1671(5) 0.6696(5) 0.5001(3) 0.047(2) Uani 1 1 d . A . C104 C 1.1400(4) 0.7379(4) 0.4183(3) 0.0400(19) Uani 1 1 d . A . C2O1 C 0.9715(4) 0.1674(4) 0.5024(3) 0.0332(15) Uani 1 1 d . B . C202 C 1.0692(5) 0.0674(5) 0.5043(3) 0.0432(19) Uani 1 1 d . B . C203 C 0.9985(4) 0.0957(4) 0.4224(3) 0.0345(17) Uani 1 1 d . B . C301 C 0.1539(4) 1.0122(5) 0.1292(3) 0.0413(19) Uani 1 1 d . C . C302 C 0.0519(5) 0.9181(5) 0.1299(3) 0.049(2) Uani 1 1 d . C . C304 C 0.0892(4) 0.9842(4) 0.2107(3) 0.0365(13) Uani 1 1 d . C . C401 C 0.2638(5) 0.4090(4) 0.1289(3) 0.0409(14) Uani 1 1 d . D . C402 C 0.1677(5) 0.3066(5) 0.1267(3) 0.0414(18) Uani 1 1 d . D . C403 C 0.2337(5) 0.3410(4) 0.2113(3) 0.0416(19) Uani 1 1 d . D . Ge1 Ge 0.98249(7) 0.72350(4) 0.42109(4) 0.03084(19) Uani 1 1 d . A . Ge2 Ge 1.01765(7) 0.25186(4) 0.42303(4) 0.02822(18) Uani 1 1 d . B . Ge3 Ge 0.24385(7) 0.96233(4) 0.20579(4) 0.02903(18) Uani 1 1 d . C . Ge4 Ge 0.21266(7) 0.49798(4) 0.20430(4) 0.02825(17) Uani 1 1 d . D . Mn1 Mn 1.08778(8) 0.69028(6) 0.46469(5) 0.0315(3) Uani 1 1 d D . . Mn2 Mn 1.04877(8) 0.14738(6) 0.46704(5) 0.0326(3) Uani 1 1 d D . . Mn3 Mn 0.13444(9) 0.93544(6) 0.16481(5) 0.0361(3) Uani 1 1 d D . . Mn4 Mn 0.18582(8) 0.39014(6) 0.16240(5) 0.0309(3) Uani 1 1 d D . . N1 N 0.9714(3) 0.8269(3) 0.4108(2) 0.0315(13) Uani 1 1 d . . . N2 N 0.9046(3) 0.7652(3) 0.4594(3) 0.0360(14) Uani 1 1 d . . . N4 N 0.9155(3) 0.2654(3) 0.4121(2) 0.0313(13) Uani 1 1 d . . . N3 N 0.9776(3) 0.3320(3) 0.4600(2) 0.0315(13) Uani 1 1 d . . . N5 N 0.3206(3) 1.0009(3) 0.1664(2) 0.0337(13) Uani 1 1 d . . . N6 N 0.2622(3) 1.0630(3) 0.2171(2) 0.0288(12) Uani 1 1 d . . . N8 N 0.3137(3) 0.5156(3) 0.2173(2) 0.0329(13) Uani 1 1 d . . . N7 N 0.2518(3) 0.5765(3) 0.1666(2) 0.0302(12) Uani 1 1 d . . . O101 O 1.0614(3) 0.8178(3) 0.5223(2) 0.0442(13) Uani 1 1 d . . . O102 O 1.2163(4) 0.6584(4) 0.5227(2) 0.0596(18) Uani 1 1 d D . . O104 O 1.1706(3) 0.7653(3) 0.3902(2) 0.0470(14) Uani 1 1 d . . . O201 O 0.9275(3) 0.1825(3) 0.5244(3) 0.0594(14) Uani 1 1 d D . . O2O2 O 1.0800(4) 0.0206(3) 0.5257(2) 0.0534(16) Uani 1 1 d . . . O2O3 O 0.9696(4) 0.0647(3) 0.3936(2) 0.0527(16) Uani 1 1 d . . . O301 O 0.1670(3) 1.0609(3) 0.1071(2) 0.0460(14) Uani 1 1 d D . . O302 O 0.0021(4) 0.9108(4) 0.1085(2) 0.0595(18) Uani 1 1 d D . . O304 O 0.0599(4) 1.0117(5) 0.2403(3) 0.0766(19) Uani 1 1 d . . . O401 O 0.3139(4) 0.4221(4) 0.1071(3) 0.0602(14) Uani 1 1 d . . . O402 O 0.1586(4) 0.2623(4) 0.1070(2) 0.0521(16) Uani 1 1 d D . . O403 O 0.2593(4) 0.3107(3) 0.2408(3) 0.0571(18) Uani 1 1 d . . . Br1 Br 1.11181(8) 0.58354(5) 0.41373(5) 0.0475(3) Uani 0.959(3) 1 d PD A 1 C103 C 1.0310(3) 0.6300(3) 0.4996(3) 0.0402(19) Uani 0.959(3) 1 d PD A 1 O103 O 0.9957(3) 0.5905(3) 0.5173(3) 0.070(2) Uani 0.959(3) 1 d PD A 1 Br2 Br 1.15499(9) 0.12028(7) 0.41721(6) 0.0458(3) Uani 0.832(3) 1 d PD B 1 C204 C 1.1100(4) 0.2030(4) 0.5035(3) 0.035(2) Uani 0.832(3) 1 d PD B 1 O204 O 1.1462(3) 0.2455(3) 0.5173(3) 0.0594(14) Uani 0.832(3) 1 d PD B 1 Br3 Br 0.10909(9) 0.82635(6) 0.21330(5) 0.0526(3) Uani 0.783(3) 1 d PD C 1 C303 C 0.1847(4) 0.8740(4) 0.1263(3) 0.0365(13) Uani 0.783(3) 1 d PD C 1 O303 O 0.2262(4) 0.8411(3) 0.1089(3) 0.0766(19) Uani 0.783(3) 1 d PD C 1 Br4 Br 0.07612(8) 0.36299(6) 0.20822(5) 0.0467(3) Uani 0.807(3) 1 d PD D 1 C404 C 0.1256(5) 0.4441(4) 0.1241(3) 0.0409(14) Uani 0.807(3) 1 d PD D 1 O404 O 0.0855(4) 0.4771(4) 0.1043(3) 0.0602(14) Uani 0.807(3) 1 d PD D 1 Br1A Br 1.0215(12) 0.6200(10) 0.5258(7) 0.0475(3) Uani 0.041(3) 1 d PD A 2 C113 C 1.111(7) 0.6300(8) 0.4152(18) 0.0402(19) Uani 0.041(3) 1 d PD A 2 O113 O 1.1219(5) 0.5845(5) 0.3908(3) 0.070(2) Uani 0.041(3) 1 d PD A 2 Br2A Br 1.1282(3) 0.2163(3) 0.5222(2) 0.0458(3) Uani 0.168(3) 1 d PD B 2 C214 C 1.1310(12) 0.122(2) 0.4366(10) 0.035(2) Uani 0.168(3) 1 d PD B 2 O214 O 1.1757(19) 0.112(3) 0.4115(15) 0.0594(14) Uani 0.168(3) 1 d PD B 2 Br3A Br 0.1976(3) 0.8550(2) 0.10912(17) 0.0526(3) Uani 0.217(3) 1 d PD C 2 C313 C 0.1056(8) 0.8668(15) 0.2075(10) 0.0365(13) Uani 0.217(3) 1 d PD C 2 O313 O 0.1010(5) 0.8245(5) 0.2353(3) 0.0766(19) Uani 0.217(3) 1 d PD C 2 Br4A Br 0.1072(3) 0.4580(3) 0.10585(18) 0.0467(3) Uani 0.193(3) 1 d PD D 2 C414 C 0.1137(10) 0.368(2) 0.2037(4) 0.0409(14) Uani 0.193(3) 1 d PD D 2 O414 O 0.0786(5) 0.3574(6) 0.2348(3) 0.0602(14) Uani 0.193(3) 1 d PD D 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.034(4) 0.042(4) 0.054(5) 0.005(4) 0.013(4) 0.003(3) C2 0.056(5) 0.077(6) 0.037(5) 0.011(4) 0.018(4) 0.027(5) C3 0.040(4) 0.037(4) 0.035(4) 0.013(3) 0.007(3) 0.012(3) C4 0.026(4) 0.033(4) 0.039(4) -0.004(3) -0.003(3) 0.008(3) C5 0.037(4) 0.034(4) 0.053(5) 0.007(4) 0.022(4) 0.017(3) C6 0.075(6) 0.038(4) 0.048(5) 0.001(4) 0.033(5) 0.007(4) C7 0.149(14) 0.032(5) 0.098(10) 0.000(6) 0.081(10) 0.016(6) C8 0.135(13) 0.047(6) 0.127(13) 0.028(8) 0.096(12) 0.052(8) C9 0.078(8) 0.103(11) 0.125(14) 0.073(11) 0.055(9) 0.072(9) C10 0.072(7) 0.063(6) 0.087(9) 0.028(6) 0.023(6) 0.035(6) C11 0.033(4) 0.041(4) 0.074(7) 0.006(4) 0.006(4) 0.009(3) C12 0.042(5) 0.047(5) 0.097(9) 0.017(5) 0.005(5) -0.010(4) C13 0.051(5) 0.050(5) 0.055(6) 0.007(4) 0.022(4) 0.010(4) C17 0.075(7) 0.058(6) 0.132(12) -0.056(7) -0.026(8) 0.006(5) C15 0.098(9) 0.113(10) 0.053(7) -0.045(7) -0.027(6) 0.055(8) C16 0.067(7) 0.107(10) 0.106(11) -0.061(9) -0.053(8) 0.032(7) C14 0.055(5) 0.051(5) 0.074(7) -0.038(5) -0.026(5) 0.019(4) C18 0.054(5) 0.054(5) 0.038(5) -0.011(4) -0.005(4) 0.007(4) C19 0.046(5) 0.036(4) 0.069(6) 0.002(4) -0.004(4) -0.006(3) C20 0.038(4) 0.029(3) 0.052(5) -0.005(3) -0.004(4) 0.008(3) C21 0.026(4) 0.034(4) 0.036(4) 0.004(3) 0.007(3) 0.007(3) C22 0.022(4) 0.042(4) 0.056(5) -0.011(4) -0.001(3) 0.018(3) C23 0.036(4) 0.067(6) 0.049(5) -0.016(4) 0.009(4) -0.005(4) C24 0.024(4) 0.123(11) 0.073(8) -0.046(7) 0.007(4) 0.001(5) C25 0.042(6) 0.110(10) 0.103(10) -0.061(9) -0.019(6) 0.044(6) C26 0.072(8) 0.074(7) 0.097(10) -0.025(7) -0.029(8) 0.053(6) C27 0.053(5) 0.041(4) 0.071(7) -0.004(4) -0.007(5) 0.024(4) C28 0.027(4) 0.043(4) 0.044(5) -0.003(3) -0.010(3) 0.008(3) C30 0.062(6) 0.045(4) 0.045(5) 0.003(4) -0.014(4) -0.002(4) C29 0.033(4) 0.040(4) 0.066(6) -0.005(4) 0.000(4) -0.001(3) C33 0.047(5) 0.062(6) 0.057(6) 0.029(5) 0.022(4) 0.013(4) C31 0.067(6) 0.074(6) 0.036(5) 0.008(4) 0.015(4) 0.025(5) C32 0.044(5) 0.067(6) 0.071(7) 0.010(5) 0.017(5) 0.001(4) C34 0.039(4) 0.044(4) 0.045(5) 0.011(4) 0.016(4) 0.012(3) C35 0.043(4) 0.030(4) 0.059(5) -0.003(3) 0.009(4) 0.001(3) C36 0.046(5) 0.050(5) 0.036(5) -0.007(4) -0.002(4) 0.000(4) C37 0.032(4) 0.028(3) 0.042(4) -0.006(3) 0.000(3) -0.005(3) C38 0.023(3) 0.026(3) 0.035(4) -0.004(3) 0.001(3) -0.003(3) C39 0.051(5) 0.036(4) 0.036(4) -0.011(3) 0.014(4) -0.008(3) C40 0.053(5) 0.033(4) 0.055(5) 0.005(4) 0.021(4) 0.000(3) C41 0.081(7) 0.031(4) 0.078(7) -0.008(4) 0.043(6) -0.003(4) C42 0.124(12) 0.060(7) 0.079(9) -0.032(7) 0.052(9) -0.055(8) C43 0.079(8) 0.074(8) 0.084(9) -0.024(7) 0.020(7) -0.052(7) C44 0.043(5) 0.066(6) 0.063(7) -0.017(5) 0.009(5) -0.025(4) C45 0.025(4) 0.043(4) 0.051(5) -0.008(4) 0.013(3) -0.005(3) C47 0.041(5) 0.062(6) 0.072(7) -0.013(5) 0.004(5) 0.019(4) C46 0.059(5) 0.055(5) 0.043(5) -0.012(4) 0.010(4) -0.007(4) C50 0.063(6) 0.076(7) 0.064(7) 0.013(6) -0.025(6) 0.016(5) C48 0.101(9) 0.047(5) 0.078(8) 0.020(5) -0.008(7) 0.039(6) C49 0.094(8) 0.066(6) 0.046(6) 0.019(5) -0.005(6) 0.000(6) C51 0.068(6) 0.046(5) 0.039(5) 0.016(4) -0.010(4) 0.016(4) C52 0.038(4) 0.056(5) 0.047(5) 0.012(4) -0.005(4) -0.001(4) C53 0.046(5) 0.044(5) 0.062(6) 0.014(4) -0.011(4) 0.008(4) C54 0.038(4) 0.029(3) 0.048(5) 0.011(3) -0.007(4) -0.008(3) C55 0.021(3) 0.031(3) 0.035(4) -0.001(3) 0.001(3) -0.008(3) C56 0.029(4) 0.033(4) 0.047(5) 0.010(3) 0.000(3) -0.009(3) C57 0.027(4) 0.056(5) 0.053(5) 0.010(4) 0.007(4) -0.005(3) C58 0.036(5) 0.083(7) 0.083(8) 0.049(6) 0.002(5) -0.002(5) C59 0.031(5) 0.090(8) 0.102(10) 0.052(7) -0.010(6) -0.017(5) C60 0.089(10) 0.052(6) 0.121(13) 0.024(7) -0.018(9) -0.042(7) C61 0.051(6) 0.049(5) 0.082(8) -0.005(5) -0.007(5) -0.021(4) C62 0.044(4) 0.036(4) 0.054(5) 0.009(4) -0.016(4) -0.009(3) C63 0.031(4) 0.050(5) 0.069(6) 0.008(4) -0.008(4) 0.001(3) C64 0.074(7) 0.078(7) 0.061(7) 0.006(6) -0.015(6) 0.010(6) C65 0.120(11) 0.065(6) 0.047(6) -0.019(5) 0.034(6) -0.048(7) C66 0.047(6) 0.068(7) 0.127(11) -0.045(7) 0.042(7) -0.014(5) C67 0.092(8) 0.054(6) 0.070(8) -0.032(5) 0.028(6) -0.021(5) C68 0.047(5) 0.051(5) 0.064(6) -0.022(5) 0.017(5) -0.009(4) C101 0.024(3) 0.047(4) 0.039(4) 0.009(4) -0.003(3) 0.011(3) C102 0.043(5) 0.064(5) 0.033(4) 0.001(4) 0.011(4) 0.023(4) C104 0.030(4) 0.039(4) 0.051(5) 0.000(4) -0.005(4) 0.016(3) C2O1 0.040(4) 0.028(3) 0.032(4) 0.001(3) 0.005(3) 0.008(3) C202 0.049(5) 0.049(5) 0.032(4) -0.008(4) 0.021(4) 0.006(4) C203 0.035(4) 0.031(3) 0.038(4) 0.002(3) 0.004(3) 0.010(3) C301 0.040(4) 0.057(5) 0.027(4) -0.001(4) 0.002(3) -0.025(4) C302 0.044(5) 0.063(5) 0.040(5) 0.005(4) 0.010(4) -0.021(4) C304 0.031(3) 0.035(3) 0.044(4) 0.001(3) -0.001(3) -0.015(2) C401 0.053(4) 0.039(3) 0.031(3) -0.004(3) -0.002(3) -0.016(3) C402 0.048(5) 0.039(4) 0.038(5) 0.013(4) 0.008(4) -0.005(4) C403 0.046(5) 0.030(4) 0.049(5) 0.001(4) -0.004(4) -0.015(3) Ge1 0.0285(4) 0.0278(4) 0.0361(5) -0.0062(3) -0.0043(3) 0.0073(3) Ge2 0.0255(4) 0.0284(4) 0.0307(4) 0.0030(3) 0.0022(3) 0.0071(3) Ge3 0.0321(4) 0.0258(4) 0.0291(4) 0.0014(3) -0.0019(3) -0.0042(3) Ge4 0.0262(4) 0.0290(4) 0.0297(4) -0.0023(3) 0.0028(3) -0.0068(3) Mn1 0.0291(6) 0.0367(6) 0.0287(6) 0.0018(5) 0.0005(5) 0.0138(5) Mn2 0.0352(6) 0.0342(6) 0.0285(6) 0.0014(5) -0.0003(5) 0.0157(5) Mn3 0.0379(6) 0.0381(6) 0.0322(6) -0.0012(5) -0.0016(5) -0.0179(5) Mn4 0.0328(6) 0.0285(5) 0.0314(6) -0.0008(5) -0.0010(5) -0.0113(5) N1 0.031(3) 0.031(3) 0.032(3) 0.004(2) 0.000(3) 0.008(2) N2 0.027(3) 0.031(3) 0.050(4) 0.005(3) 0.002(3) 0.007(2) N4 0.029(3) 0.030(3) 0.035(3) 0.000(3) -0.001(3) 0.007(2) N3 0.029(3) 0.027(3) 0.038(3) -0.004(2) -0.001(3) 0.008(2) N5 0.030(3) 0.031(3) 0.040(4) -0.002(3) 0.007(3) 0.000(2) N6 0.029(3) 0.023(3) 0.034(3) -0.001(2) 0.004(2) -0.004(2) N8 0.031(3) 0.029(3) 0.039(4) 0.004(3) -0.002(3) -0.006(2) N7 0.027(3) 0.031(3) 0.032(3) 0.000(2) -0.001(2) 0.001(2) O101 0.043(3) 0.049(3) 0.040(3) -0.010(3) 0.001(3) 0.016(3) O102 0.053(4) 0.090(5) 0.036(3) 0.007(3) 0.005(3) 0.040(4) O104 0.036(3) 0.056(3) 0.050(4) 0.015(3) 0.017(3) 0.008(3) O201 0.075(4) 0.052(3) 0.052(3) 0.016(2) 0.016(3) 0.023(3) O2O2 0.071(4) 0.052(4) 0.037(3) 0.001(3) 0.001(3) 0.031(3) O2O3 0.071(4) 0.038(3) 0.048(4) -0.010(3) -0.018(3) 0.015(3) O301 0.041(3) 0.052(3) 0.045(3) 0.013(3) -0.005(3) -0.011(3) O302 0.053(4) 0.075(4) 0.050(4) 0.002(3) -0.001(3) -0.030(3) O304 0.058(4) 0.097(5) 0.075(4) 0.002(4) -0.005(3) -0.035(3) O401 0.056(3) 0.057(3) 0.069(4) -0.012(3) 0.014(3) -0.013(2) O402 0.061(4) 0.061(4) 0.035(3) 0.008(3) -0.007(3) -0.026(3) O403 0.058(4) 0.053(4) 0.060(4) 0.017(3) -0.016(3) -0.019(3) Br1 0.0544(6) 0.0378(5) 0.0503(6) -0.0042(4) 0.0045(4) 0.0190(4) C103 0.024(4) 0.040(4) 0.057(6) 0.009(4) 0.016(4) 0.013(3) O103 0.058(5) 0.062(5) 0.090(6) 0.008(4) 0.004(4) 0.017(4) Br2 0.0422(6) 0.0472(6) 0.0479(7) 0.0023(5) 0.0043(5) 0.0173(5) C204 0.043(5) 0.020(4) 0.042(6) -0.004(4) 0.000(4) 0.017(3) O204 0.075(4) 0.052(3) 0.052(3) 0.016(2) 0.016(3) 0.023(3) Br3 0.0610(7) 0.0437(6) 0.0534(7) -0.0034(5) 0.0090(6) -0.0188(5) C303 0.031(3) 0.035(3) 0.044(4) 0.001(3) -0.001(3) -0.015(2) O303 0.058(4) 0.097(5) 0.075(4) 0.002(4) -0.005(3) -0.035(3) Br4 0.0423(6) 0.0484(6) 0.0493(7) -0.0017(5) 0.0009(5) -0.0161(5) C404 0.053(4) 0.039(3) 0.031(3) -0.004(3) -0.002(3) -0.016(3) O404 0.056(3) 0.057(3) 0.069(4) -0.012(3) 0.014(3) -0.013(2) Br1A 0.0544(6) 0.0378(5) 0.0503(6) -0.0042(4) 0.0045(4) 0.0190(4) C113 0.024(4) 0.040(4) 0.057(6) 0.009(4) 0.016(4) 0.013(3) O113 0.058(5) 0.062(5) 0.090(6) 0.008(4) 0.004(4) 0.017(4) Br2A 0.0422(6) 0.0472(6) 0.0479(7) 0.0023(5) 0.0043(5) 0.0173(5) C214 0.043(5) 0.020(4) 0.042(6) -0.004(4) 0.000(4) 0.017(3) O214 0.075(4) 0.052(3) 0.052(3) 0.016(2) 0.016(3) 0.023(3) Br3A 0.0610(7) 0.0437(6) 0.0534(7) -0.0034(5) 0.0090(6) -0.0188(5) C313 0.031(3) 0.035(3) 0.044(4) 0.001(3) -0.001(3) -0.015(2) O313 0.058(4) 0.097(5) 0.075(4) 0.002(4) -0.005(3) -0.035(3) Br4A 0.0423(6) 0.0484(6) 0.0493(7) -0.0017(5) 0.0009(5) -0.0161(5) C414 0.053(4) 0.039(3) 0.031(3) -0.004(3) -0.002(3) -0.016(3) O414 0.056(3) 0.057(3) 0.069(4) -0.012(3) 0.014(3) -0.013(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C3 1.500(13) . ? C2 C3 1.526(12) . ? C3 N1 1.463(10) . ? C4 N1 1.301(10) . ? C4 N2 1.342(10) . ? C4 C5 1.500(10) . ? C4 Ge1 2.387(7) . ? C5 C6 1.375(15) . ? C5 C10 1.395(16) . ? C6 C7 1.391(14) . ? C7 C8 1.37(3) . ? C8 C9 1.40(3) . ? C9 C10 1.417(18) . ? C11 N2 1.455(12) . ? C11 C13 1.496(15) . ? C11 C12 1.537(13) . ? C17 C14 1.566(18) . ? C15 C14 1.552(19) . ? C16 C14 1.539(14) . ? C14 Ge1 1.994(9) . ? C18 C20 1.513(13) . ? C19 C20 1.525(12) . ? C20 N3 1.460(10) . ? C21 N4 1.301(10) . ? C21 N3 1.314(10) . ? C21 C22 1.515(10) . ? C21 Ge2 2.385(7) . ? C22 C23 1.389(13) . ? C22 C27 1.390(13) . ? C23 C24 1.393(14) . ? C24 C25 1.33(2) . ? C25 C26 1.44(2) . ? C26 C27 1.395(15) . ? C28 N4 1.491(10) . ? C28 C30 1.520(13) . ? C28 C29 1.513(13) . ? C33 C34 1.527(11) . ? C31 C34 1.526(14) . ? C32 C34 1.554(14) . ? C34 Ge2 1.986(8) . ? C35 C37 1.513(12) . ? C36 C37 1.508(12) . ? C37 N6 1.484(9) . ? C38 N6 1.331(10) . ? C38 N5 1.340(9) . ? C38 C39 1.466(11) . ? C38 Ge3 2.429(7) . ? C39 C44 1.383(14) . ? C39 C40 1.388(13) . ? C40 C41 1.378(13) . ? C41 C42 1.36(2) . ? C42 C43 1.37(2) . ? C43 C44 1.376(15) . ? C45 N5 1.477(10) . ? C45 C47 1.528(12) . ? C45 C46 1.529(14) . ? C50 C51 1.512(16) . ? C48 C51 1.549(14) . ? C49 C51 1.509(16) . ? C51 Ge3 2.001(8) . ? C52 C54 1.518(13) . ? C53 C54 1.513(13) . ? C54 N7 1.486(9) . ? C55 N7 1.312(10) . ? C55 N8 1.328(10) . ? C55 C56 1.488(10) . ? C55 Ge4 2.408(7) . ? C56 C57 1.370(13) . ? C56 C61 1.421(13) . ? C57 C58 1.386(13) . ? C58 C59 1.43(2) . ? C59 C60 1.33(2) . ? C60 C61 1.368(18) . ? C62 N8 1.486(10) . ? C62 C63 1.503(13) . ? C62 C64 1.512(16) . ? C65 C68 1.548(17) . ? C66 C68 1.523(17) . ? C67 C68 1.520(13) . ? C68 Ge4 1.991(9) . ? C101 O101 1.136(10) . ? C101 Mn1 1.811(9) . ? C102 O102 1.134(11) . ? C102 Mn1 1.823(9) . ? C104 O104 1.111(11) . ? C104 Mn1 1.875(10) . ? C2O1 O201 1.082(9) . ? C2O1 Mn2 1.817(8) . ? C202 O2O2 1.086(11) . ? C202 Mn2 1.873(10) . ? C203 O2O3 1.129(10) . ? C203 Mn2 1.836(8) . ? C301 O301 1.138(10) . ? C301 Mn3 1.801(9) . ? C302 O302 1.114(11) . ? C302 Mn3 1.853(10) . ? C304 O304 1.128(12) . ? C304 Mn3 1.808(9) . ? C401 O401 1.163(11) . ? C401 Mn4 1.795(9) . ? C402 O402 1.015(11) . ? C402 Mn4 1.897(10) . ? C403 O403 1.109(11) . ? C403 Mn4 1.873(9) . ? Ge1 N1 1.988(6) . ? Ge1 N2 1.998(7) . ? Ge1 Mn1 2.3977(13) . ? Ge2 N4 1.965(6) . ? Ge2 N3 1.991(6) . ? Ge2 Mn2 2.3952(13) . ? Ge3 N6 1.959(6) . ? Ge3 N5 1.975(6) . ? Ge3 Mn3 2.3993(14) . ? Ge4 N8 1.964(6) . ? Ge4 N7 1.971(6) . ? Ge4 Mn4 2.4013(13) . ? Mn1 C113 1.850(2) . ? Mn1 C103 1.854(2) . ? Mn1 Br1A 2.515(2) . ? Mn1 Br1 2.5166(12) . ? Mn2 C214 1.850(2) . ? Mn2 C204 1.856(2) . ? Mn2 Br2A 2.499(2) . ? Mn2 Br2 2.5154(13) . ? Mn3 C313 1.851(2) . ? Mn3 C303 1.856(2) . ? Mn3 Br3A 2.495(2) . ? Mn3 Br3 2.5190(13) . ? Mn4 C414 1.850(2) . ? Mn4 C404 1.854(2) . ? Mn4 Br4A 2.503(2) . ? Mn4 Br4 2.5082(13) . ? C103 O103 1.121(2) . ? C204 O204 1.1191(11) . ? C303 O303 1.119(2) . ? C404 O404 1.121(2) . ? C113 O113 1.120(2) . ? C214 O214 1.120(2) . ? C313 O313 1.121(2) . ? C414 O414 1.121(2) . ? 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 N1 C3 C1 111.6(6) . . ? N1 C3 C2 109.9(7) . . ? C1 C3 C2 110.1(8) . . ? N1 C4 N2 113.2(6) . . ? N1 C4 C5 125.1(7) . . ? N2 C4 C5 121.7(7) . . ? N1 C4 Ge1 56.4(4) . . ? N2 C4 Ge1 56.8(4) . . ? C5 C4 Ge1 178.0(6) . . ? C6 C5 C10 121.9(9) . . ? C6 C5 C4 119.5(8) . . ? C10 C5 C4 118.6(10) . . ? C5 C6 C7 120.8(13) . . ? C8 C7 C6 118.8(15) . . ? C7 C8 C9 121.3(10) . . ? C8 C9 C10 119.9(14) . . ? C5 C10 C9 117.3(15) . . ? N2 C11 C13 112.7(7) . . ? N2 C11 C12 109.3(9) . . ? C13 C11 C12 112.3(9) . . ? C16 C14 C15 111.9(11) . . ? C16 C14 C17 110.6(11) . . ? C15 C14 C17 111.3(9) . . ? C16 C14 Ge1 110.5(6) . . ? C15 C14 Ge1 105.9(7) . . ? C17 C14 Ge1 106.5(8) . . ? N3 C20 C18 111.7(7) . . ? N3 C20 C19 110.2(7) . . ? C18 C20 C19 112.0(8) . . ? N4 C21 N3 112.1(6) . . ? N4 C21 C22 125.3(7) . . ? N3 C21 C22 122.7(7) . . ? N4 C21 Ge2 55.5(4) . . ? N3 C21 Ge2 56.6(4) . . ? C22 C21 Ge2 177.9(6) . . ? C23 C22 C27 121.1(8) . . ? C23 C22 C21 120.7(8) . . ? C27 C22 C21 118.2(9) . . ? C22 C23 C24 118.1(11) . . ? C25 C24 C23 122.4(12) . . ? C24 C25 C26 120.5(9) . . ? C27 C26 C25 117.7(12) . . ? C22 C27 C26 120.1(12) . . ? N4 C28 C30 110.0(7) . . ? N4 C28 C29 111.3(7) . . ? C30 C28 C29 111.2(7) . . ? C33 C34 C31 109.7(8) . . ? C33 C34 C32 108.8(8) . . ? C31 C34 C32 110.5(8) . . ? C33 C34 Ge2 110.8(6) . . ? C31 C34 Ge2 108.9(6) . . ? C32 C34 Ge2 108.2(6) . . ? N6 C37 C36 109.9(6) . . ? N6 C37 C35 111.7(6) . . ? C36 C37 C35 111.7(7) . . ? N6 C38 N5 108.0(6) . . ? N6 C38 C39 125.1(6) . . ? N5 C38 C39 126.9(7) . . ? N6 C38 Ge3 53.6(3) . . ? N5 C38 Ge3 54.4(4) . . ? C39 C38 Ge3 176.8(6) . . ? C44 C39 C40 119.7(9) . . ? C44 C39 C38 119.6(9) . . ? C40 C39 C38 120.7(8) . . ? C41 C40 C39 119.5(10) . . ? C42 C41 C40 120.4(12) . . ? C41 C42 C43 120.4(10) . . ? C42 C43 C44 120.4(12) . . ? C43 C44 C39 119.5(12) . . ? N5 C45 C47 110.4(7) . . ? N5 C45 C46 110.5(7) . . ? C47 C45 C46 110.2(8) . . ? C50 C51 C49 109.7(9) . . ? C50 C51 C48 113.0(10) . . ? C49 C51 C48 110.0(9) . . ? C50 C51 Ge3 110.4(7) . . ? C49 C51 Ge3 107.9(7) . . ? C48 C51 Ge3 105.6(7) . . ? N7 C54 C53 110.4(7) . . ? N7 C54 C52 110.5(6) . . ? C53 C54 C52 110.7(7) . . ? N7 C55 N8 109.5(6) . . ? N7 C55 C56 125.8(7) . . ? N8 C55 C56 124.7(6) . . ? N7 C55 Ge4 54.9(4) . . ? N8 C55 Ge4 54.6(4) . . ? C56 C55 Ge4 176.9(6) . . ? C57 C56 C61 120.2(8) . . ? C57 C56 C55 120.4(7) . . ? C61 C56 C55 119.4(9) . . ? C56 C57 C58 121.0(10) . . ? C57 C58 C59 117.6(12) . . ? C60 C59 C58 120.4(10) . . ? C59 C60 C61 123.1(13) . . ? C60 C61 C56 117.7(13) . . ? N8 C62 C63 110.7(7) . . ? N8 C62 C64 110.2(8) . . ? C63 C62 C64 111.1(8) . . ? C67 C68 C66 111.7(9) . . ? C67 C68 C65 110.0(9) . . ? C66 C68 C65 111.2(10) . . ? C67 C68 Ge4 111.8(7) . . ? C66 C68 Ge4 107.4(7) . . ? C65 C68 Ge4 104.5(7) . . ? O101 C101 Mn1 179.7(9) . . ? O102 C102 Mn1 178.3(9) . . ? O104 C104 Mn1 178.8(8) . . ? O201 C2O1 Mn2 175.9(7) . . ? O2O2 C202 Mn2 178.9(9) . . ? O2O3 C203 Mn2 177.2(8) . . ? O301 C301 Mn3 179.0(7) . . ? O302 C302 Mn3 176.8(9) . . ? O304 C304 Mn3 176.7(8) . . ? O401 C401 Mn4 179.0(9) . . ? O402 C402 Mn4 178.8(8) . . ? O403 C403 Mn4 177.0(8) . . ? N1 Ge1 C14 105.3(4) . . ? N1 Ge1 N2 67.2(3) . . ? C14 Ge1 N2 105.4(4) . . ? N1 Ge1 C4 33.0(3) . . ? C14 Ge1 C4 109.2(3) . . ? N2 Ge1 C4 34.2(3) . . ? N1 Ge1 Mn1 114.57(18) . . ? C14 Ge1 Mn1 130.4(3) . . ? N2 Ge1 Mn1 116.3(2) . . ? C4 Ge1 Mn1 120.35(19) . . ? N4 Ge2 C34 105.8(3) . . ? N4 Ge2 N3 66.5(2) . . ? C34 Ge2 N3 105.9(3) . . ? N4 Ge2 C21 33.0(3) . . ? C34 Ge2 C21 109.8(3) . . ? N3 Ge2 C21 33.4(3) . . ? N4 Ge2 Mn2 114.76(18) . . ? C34 Ge2 Mn2 129.4(2) . . ? N3 Ge2 Mn2 116.93(19) . . ? C21 Ge2 Mn2 120.74(19) . . ? N6 Ge3 N5 66.6(3) . . ? N6 Ge3 C51 107.0(3) . . ? N5 Ge3 C51 106.1(4) . . ? N6 Ge3 Mn3 115.56(18) . . ? N5 Ge3 Mn3 116.5(2) . . ? C51 Ge3 Mn3 128.4(3) . . ? N6 Ge3 C38 33.2(3) . . ? N5 Ge3 C38 33.4(3) . . ? C51 Ge3 C38 110.7(4) . . ? Mn3 Ge3 C38 120.83(18) . . ? N8 Ge4 N7 66.4(2) . . ? N8 Ge4 C68 106.2(3) . . ? N7 Ge4 C68 105.9(3) . . ? N8 Ge4 Mn4 115.47(19) . . ? N7 Ge4 Mn4 117.14(19) . . ? C68 Ge4 Mn4 128.7(3) . . ? N8 Ge4 C55 33.5(3) . . ? N7 Ge4 C55 33.0(3) . . ? C68 Ge4 C55 110.1(3) . . ? Mn4 Ge4 C55 121.18(19) . . ? C101 Mn1 C102 91.4(4) . . ? C101 Mn1 C113 163.0(7) . . ? C102 Mn1 C113 94(4) . . ? C101 Mn1 C103 96.4(4) . . ? C102 Mn1 C103 93.4(4) . . ? C113 Mn1 C103 99.3(18) . . ? C101 Mn1 C104 94.6(4) . . ? C102 Mn1 C104 92.4(4) . . ? C113 Mn1 C104 69.2(15) . . ? C103 Mn1 C104 167.4(4) . . ? C101 Mn1 Ge1 85.2(2) . . ? C102 Mn1 Ge1 176.6(3) . . ? C113 Mn1 Ge1 89(4) . . ? C103 Mn1 Ge1 86.9(3) . . ? C104 Mn1 Ge1 88.0(2) . . ? C101 Mn1 Br1A 88.4(6) . . ? C102 Mn1 Br1A 86.1(7) . . ? C113 Mn1 Br1A 108.0(14) . . ? C103 Mn1 Br1A 11.0(7) . . ? C104 Mn1 Br1A 176.7(6) . . ? Ge1 Mn1 Br1A 93.7(6) . . ? C101 Mn1 Br1 178.3(3) . . ? C102 Mn1 Br1 88.9(3) . . ? C113 Mn1 Br1 15.3(6) . . ? C103 Mn1 Br1 85.2(3) . . ? C104 Mn1 Br1 83.7(3) . . ? Ge1 Mn1 Br1 94.51(5) . . ? Br1A Mn1 Br1 93.3(5) . . ? C2O1 Mn2 C203 94.0(3) . . ? C2O1 Mn2 C214 174.0(9) . . ? C203 Mn2 C214 88.6(13) . . ? C2O1 Mn2 C204 94.7(4) . . ? C203 Mn2 C204 170.1(4) . . ? C214 Mn2 C204 83.2(14) . . ? C2O1 Mn2 C202 91.4(3) . . ? C203 Mn2 C202 92.7(4) . . ? C214 Mn2 C202 83.0(10) . . ? C204 Mn2 C202 91.8(4) . . ? C2O1 Mn2 Ge2 85.2(2) . . ? C203 Mn2 Ge2 88.3(2) . . ? C214 Mn2 Ge2 100.4(10) . . ? C204 Mn2 Ge2 87.7(3) . . ? C202 Mn2 Ge2 176.5(2) . . ? C2O1 Mn2 Br2A 92.0(3) . . ? C203 Mn2 Br2A 173.9(3) . . ? C214 Mn2 Br2A 85.4(13) . . ? C204 Mn2 Br2A 4.8(4) . . ? C202 Mn2 Br2A 87.8(3) . . ? Ge2 Mn2 Br2A 91.50(15) . . ? C2O1 Mn2 Br2 179.3(3) . . ? C203 Mn2 Br2 85.6(2) . . ? C214 Mn2 Br2 6.7(9) . . ? C204 Mn2 Br2 85.7(3) . . ? C202 Mn2 Br2 89.2(2) . . ? Ge2 Mn2 Br2 94.26(5) . . ? Br2A Mn2 Br2 88.38(16) . . ? C301 Mn3 C304 94.9(4) . . ? C301 Mn3 C313 170.4(12) . . ? C304 Mn3 C313 75.6(12) . . ? C301 Mn3 C302 91.7(4) . . ? C304 Mn3 C302 93.5(4) . . ? C313 Mn3 C302 87.7(7) . . ? C301 Mn3 C303 94.1(4) . . ? C304 Mn3 C303 169.8(4) . . ? C313 Mn3 C303 95.4(12) . . ? C302 Mn3 C303 91.0(4) . . ? C301 Mn3 Ge3 84.9(3) . . ? C304 Mn3 Ge3 88.1(2) . . ? C313 Mn3 Ge3 95.9(6) . . ? C302 Mn3 Ge3 176.4(3) . . ? C303 Mn3 Ge3 88.0(3) . . ? C301 Mn3 Br3A 92.4(3) . . ? C304 Mn3 Br3A 172.5(3) . . ? C313 Mn3 Br3A 97.1(12) . . ? C302 Mn3 Br3A 88.3(3) . . ? C303 Mn3 Br3A 3.2(4) . . ? Ge3 Mn3 Br3A 90.56(13) . . ? C301 Mn3 Br3 178.6(3) . . ? C304 Mn3 Br3 86.5(3) . . ? C313 Mn3 Br3 11.0(11) . . ? C302 Mn3 Br3 88.4(3) . . ? C303 Mn3 Br3 84.5(3) . . ? Ge3 Mn3 Br3 94.98(5) . . ? Br3A Mn3 Br3 86.24(13) . . ? C401 Mn4 C414 172.3(8) . . ? C401 Mn4 C404 95.2(4) . . ? C414 Mn4 C404 92.0(12) . . ? C401 Mn4 C403 95.1(4) . . ? C414 Mn4 C403 77.4(11) . . ? C404 Mn4 C403 168.0(5) . . ? C401 Mn4 C402 91.9(4) . . ? C414 Mn4 C402 90.6(11) . . ? C404 Mn4 C402 92.9(4) . . ? C403 Mn4 C402 92.9(3) . . ? C401 Mn4 Ge4 85.3(2) . . ? C414 Mn4 Ge4 92.3(11) . . ? C404 Mn4 Ge4 86.4(3) . . ? C403 Mn4 Ge4 88.3(2) . . ? C402 Mn4 Ge4 177.0(3) . . ? C401 Mn4 Br4A 93.0(3) . . ? C414 Mn4 Br4A 94.4(11) . . ? C404 Mn4 Br4A 3.9(4) . . ? C403 Mn4 Br4A 171.4(3) . . ? C402 Mn4 Br4A 89.7(3) . . ? Ge4 Mn4 Br4A 89.45(14) . . ? C401 Mn4 Br4 179.2(3) . . ? C414 Mn4 Br4 8.3(7) . . ? C404 Mn4 Br4 84.5(4) . . ? C403 Mn4 Br4 85.3(3) . . ? C402 Mn4 Br4 87.5(3) . . ? Ge4 Mn4 Br4 95.38(5) . . ? Br4A Mn4 Br4 86.65(14) . . ? C4 N1 C3 125.5(6) . . ? C4 N1 Ge1 90.6(5) . . ? C3 N1 Ge1 143.5(5) . . ? C4 N2 C11 127.5(7) . . ? C4 N2 Ge1 89.0(5) . . ? C11 N2 Ge1 142.9(5) . . ? C21 N4 C28 125.4(6) . . ? C21 N4 Ge2 91.5(5) . . ? C28 N4 Ge2 142.9(5) . . ? C21 N3 C20 127.1(6) . . ? C21 N3 Ge2 90.0(5) . . ? C20 N3 Ge2 142.7(5) . . ? C38 N5 C45 122.9(6) . . ? C38 N5 Ge3 92.2(5) . . ? C45 N5 Ge3 144.8(5) . . ? C38 N6 C37 124.2(6) . . ? C38 N6 Ge3 93.2(4) . . ? C37 N6 Ge3 142.2(5) . . ? C55 N8 C62 124.9(6) . . ? C55 N8 Ge4 91.9(4) . . ? C62 N8 Ge4 142.9(5) . . ? C55 N7 C54 124.9(6) . . ? C55 N7 Ge4 92.1(5) . . ? C54 N7 Ge4 142.8(5) . . ? O103 C103 Mn1 174.2(10) . . ? O204 C204 Mn2 165.3(9) . . ? O303 C303 Mn3 165.9(9) . . ? O404 C404 Mn4 174.0(11) . . ? O113 C113 Mn1 167.8(14) . . ? O214 C214 Mn2 167.9(14) . . ? O313 C313 Mn3 167.2(12) . . ? O414 C414 Mn4 167.6(13) . . ? _diffrn_measured_fraction_theta_max 0.977 _diffrn_reflns_theta_full 69.31 _diffrn_measured_fraction_theta_full 0.977 _refine_diff_density_max 1.572 _refine_diff_density_min -1.277 _refine_diff_density_rms 0.108 #===END #-----------------------------------------------------------------------------80 # Data for compound 2 (local labelling gmn13078_dp446) data_gmn13078_dp446 _audit_creation_method SHELXL-97 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C22 H31 Ge Mn N2 O4' _chemical_formula_sum 'C22 H31 Ge Mn N2 O4' _chemical_formula_weight 515.02 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ge' 'Ge' -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mn' 'Mn' -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n a 21' _space_group_name_Hall 'P 2c -2n' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' '-x+1/2, y+1/2, z+1/2' 'x+1/2, -y+1/2, z' _cell_length_a 17.098(4) _cell_length_b 14.182(2) _cell_length_c 9.9035(19) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2401.4(8) _cell_formula_units_Z 4 _cell_measurement_temperature 123(2) _cell_measurement_reflns_used 433 _cell_measurement_theta_min 5.1580 _cell_measurement_theta_max 50.6230 _exptl_crystal_description fragment _exptl_crystal_colour colourless _exptl_crystal_size_max 0.1165 _exptl_crystal_size_mid 0.0754 _exptl_crystal_size_min 0.0361 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.424 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1064 _exptl_absorpt_coefficient_mu 6.055 _exptl_absorpt_correction_type refdelf _exptl_absorpt_correction_T_min 0.0926 _exptl_absorpt_correction_T_max 0.2729 _exptl_absorpt_process_details ; Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56 Cubic fit to sin(theta)/lambda - 24 parameters ; _exptl_special_details ? _diffrn_ambient_temperature 123(10) _diffrn_radiation_wavelength 1.54180 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'Enhance (Cu) X-ray Source' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Xcalibur, Ruby, Gemini' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 2792 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.2997 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_limit_l_max 7 _diffrn_reflns_theta_min 4.05 _diffrn_reflns_theta_max 64.97 _reflns_number_total 2792 _reflns_number_gt 1128 _reflns_threshold_expression >2sigma(I) _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_structure_solution 'SIR-97 (Giacovazzo, 1999)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'MERCUY CSD 3.1 (Build RC5)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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.The crystal of gmn13078_dp446 was a racemic twin and was refined using the TWIN order. Restraints on the thermal parameters of the methyl carbon atoms of the tert-butyl group were required due to their tendency to give nonpositive definite ellipsoids. ; _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^)+(0.0000P)^2^+0.0000P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.00 _refine_ls_number_reflns 2792 _refine_ls_number_parameters 268 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.1812 _refine_ls_R_factor_gt 0.0923 _refine_ls_wR_factor_ref 0.2904 _refine_ls_wR_factor_gt 0.1903 _refine_ls_goodness_of_fit_ref 0.957 _refine_ls_restrained_S_all 0.957 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C15 C 0.4681(18) 0.4506(16) -0.124(4) 0.088(5) Uani 1 1 d . . . H15A H 0.4526 0.5167 -0.1133 0.131 Uiso 1 1 calc R . . H15B H 0.5225 0.4475 -0.1550 0.131 Uiso 1 1 calc R . . H15C H 0.4632 0.4179 -0.0373 0.131 Uiso 1 1 calc R . . C16 C 0.476(2) 0.3525(19) -0.324(3) 0.088(5) Uani 1 1 d . . . H16A H 0.4509 0.3032 -0.3780 0.131 Uiso 1 1 calc R . . H16B H 0.5169 0.3244 -0.2674 0.131 Uiso 1 1 calc R . . H16C H 0.4996 0.3995 -0.3842 0.131 Uiso 1 1 calc R . . C17 C 0.3703(18) 0.4784(17) -0.306(3) 0.088(5) Uani 1 1 d . . . H17A H 0.3393 0.5154 -0.2421 0.131 Uiso 1 1 calc R . . H17B H 0.3355 0.4500 -0.3736 0.131 Uiso 1 1 calc R . . H17C H 0.4081 0.5196 -0.3514 0.131 Uiso 1 1 calc R . . C14 C 0.4132(16) 0.4016(16) -0.232(3) 0.075(8) Uani 1 1 d . . . C18 C 0.303(3) 0.2334(17) -0.270(3) 0.105(13) Uani 1 1 d . . . H18A H 0.3448 0.1890 -0.2931 0.157 Uiso 1 1 calc R . . H18B H 0.2875 0.2684 -0.3515 0.157 Uiso 1 1 calc R . . H18C H 0.2577 0.1985 -0.2355 0.157 Uiso 1 1 calc R . . C1 C 0.4850(14) 0.1566(19) -0.128(4) 0.082(8) Uani 1 1 d . . . H1A H 0.4557 0.1666 -0.2120 0.124 Uiso 1 1 calc R . . H1B H 0.5140 0.0971 -0.1340 0.124 Uiso 1 1 calc R . . H1C H 0.5218 0.2087 -0.1148 0.124 Uiso 1 1 calc R . . C3 C 0.4287(14) 0.1524(13) -0.010(3) 0.063(6) Uani 1 1 d . . . H3 H 0.4608 0.1426 0.0728 0.076 Uiso 1 1 calc R . . C2 C 0.3663(18) 0.0733(15) -0.013(4) 0.090(10) Uani 1 1 d . . . H2A H 0.3351 0.0787 -0.0957 0.136 Uiso 1 1 calc R . . H2B H 0.3320 0.0795 0.0658 0.136 Uiso 1 1 calc R . . H2C H 0.3922 0.0117 -0.0109 0.136 Uiso 1 1 calc R . . C4 C 0.3765(17) 0.2848(15) 0.131(2) 0.061(6) Uani 1 1 d . . . C5 C 0.427(2) 0.2494(14) 0.246(3) 0.074(8) Uani 1 1 d . . . C6 C 0.4985(16) 0.2857(17) 0.249(3) 0.075(8) Uani 1 1 d . . . H6 H 0.5148 0.3294 0.1818 0.090 Uiso 1 1 calc R . . C7 C 0.5527(18) 0.2568(14) 0.359(4) 0.079(7) Uani 1 1 d . . . H7 H 0.6009 0.2881 0.3758 0.094 Uiso 1 1 calc R . . C8 C 0.5281(17) 0.1829(15) 0.433(3) 0.079(8) Uani 1 1 d . . . H8 H 0.5645 0.1541 0.4930 0.095 Uiso 1 1 calc R . . C9 C 0.4529(17) 0.1463(13) 0.429(2) 0.065(7) Uani 1 1 d . . . H9 H 0.4368 0.0994 0.4912 0.078 Uiso 1 1 calc R . . C10 C 0.4006(17) 0.1797(13) 0.329(2) 0.065(7) Uani 1 1 d . . . H10 H 0.3492 0.1549 0.3206 0.078 Uiso 1 1 calc R . . C12 C 0.3156(16) 0.4960(15) 0.285(3) 0.068(6) Uani 1 1 d . . . H12A H 0.2622 0.5174 0.2663 0.101 Uiso 1 1 calc R . . H12B H 0.3504 0.5158 0.2121 0.101 Uiso 1 1 calc R . . H12C H 0.3335 0.5235 0.3706 0.101 Uiso 1 1 calc R . . C11 C 0.3165(17) 0.3893(13) 0.296(2) 0.065(6) Uani 1 1 d . . . H11 H 0.3653 0.3714 0.3457 0.078 Uiso 1 1 calc R . . C13 C 0.2505(11) 0.3482(15) 0.370(3) 0.059(5) Uani 1 1 d . . . H13A H 0.2027 0.3549 0.3163 0.088 Uiso 1 1 calc R . . H13B H 0.2441 0.3809 0.4564 0.088 Uiso 1 1 calc R . . H13C H 0.2607 0.2811 0.3865 0.088 Uiso 1 1 calc R . . C103 C 0.2044(17) 0.2632(14) 0.014(2) 0.065(6) Uani 1 1 d . . . C101 C 0.2758(16) 0.5047(12) -0.012(3) 0.064(6) Uani 1 1 d . . . C102 C 0.1569(17) 0.4309(19) 0.106(3) 0.073(7) Uani 1 1 d . . . C104 C 0.1902(13) 0.4026(15) -0.154(3) 0.060(5) Uani 1 1 d . . . Ge1 Ge 0.33861(19) 0.31841(15) -0.1380(3) 0.0628(7) Uani 1 1 d . . . Mn1 Mn 0.2386(2) 0.3866(2) 0.0061(5) 0.0600(9) Uani 1 1 d . . . N1 N 0.3892(12) 0.2505(11) 0.004(2) 0.065(5) Uani 1 1 d . . . N2 N 0.3222(13) 0.3474(12) 0.154(2) 0.061(5) Uani 1 1 d . . . O103 O 0.1803(11) 0.1883(11) 0.025(2) 0.086(6) Uani 1 1 d . . . O101 O 0.2952(12) 0.5843(11) -0.023(2) 0.085(6) Uani 1 1 d . . . O102 O 0.1009(11) 0.4587(12) 0.1573(19) 0.073(5) Uani 1 1 d . . . O104 O 0.1575(12) 0.4105(13) -0.255(2) 0.083(5) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C15 0.097(13) 0.076(7) 0.090(12) -0.008(8) -0.024(11) -0.024(9) C16 0.097(13) 0.076(7) 0.090(12) -0.008(8) -0.024(11) -0.024(9) C17 0.097(13) 0.076(7) 0.090(12) -0.008(8) -0.024(11) -0.024(9) C14 0.054(14) 0.062(12) 0.11(2) -0.010(13) -0.015(16) -0.008(12) C18 0.19(4) 0.062(12) 0.067(17) 0.013(12) 0.00(2) -0.009(19) C1 0.048(13) 0.114(18) 0.085(19) -0.033(19) -0.009(17) 0.014(13) C3 0.063(14) 0.058(10) 0.069(16) -0.014(10) 0.003(13) 0.024(11) C2 0.11(2) 0.050(10) 0.11(2) 0.000(13) -0.04(2) -0.017(14) C4 0.088(18) 0.063(11) 0.033(11) 0.013(9) -0.011(12) 0.018(13) C5 0.10(2) 0.046(9) 0.076(16) -0.003(11) -0.001(15) 0.003(13) C6 0.067(17) 0.074(13) 0.086(19) 0.028(13) -0.021(16) 0.020(14) C7 0.096(19) 0.059(11) 0.081(16) -0.022(15) 0.00(2) 0.014(12) C8 0.08(2) 0.057(10) 0.096(18) -0.019(13) -0.052(16) 0.009(13) C9 0.088(19) 0.053(9) 0.054(12) 0.000(9) 0.041(13) 0.009(12) C10 0.086(17) 0.049(9) 0.060(17) 0.006(9) 0.004(12) 0.008(11) C12 0.063(16) 0.074(13) 0.067(15) -0.015(11) -0.009(13) -0.009(12) C11 0.083(18) 0.056(10) 0.056(13) -0.011(9) -0.006(13) 0.025(12) C13 0.036(9) 0.085(12) 0.054(12) 0.005(11) -0.005(12) -0.006(10) C103 0.108(19) 0.063(11) 0.025(9) 0.000(9) 0.000(14) -0.010(12) C101 0.089(18) 0.043(9) 0.061(15) -0.002(9) 0.023(14) 0.011(10) C102 0.053(15) 0.084(15) 0.083(19) 0.013(13) 0.006(14) -0.004(14) C104 0.042(11) 0.086(13) 0.053(14) -0.013(12) 0.004(13) -0.005(11) Ge1 0.0714(15) 0.0573(10) 0.0596(14) 0.0006(14) 0.0013(18) -0.0043(12) Mn1 0.059(2) 0.0595(15) 0.0615(19) 0.0057(17) -0.002(2) -0.0004(17) N1 0.083(14) 0.057(8) 0.055(10) -0.005(9) 0.021(12) 0.009(9) N2 0.075(15) 0.057(9) 0.051(11) -0.013(8) 0.016(10) -0.005(10) O103 0.080(12) 0.059(8) 0.118(16) 0.010(10) -0.008(13) -0.026(9) O101 0.079(13) 0.064(8) 0.112(17) 0.004(9) 0.010(12) 0.008(9) O102 0.063(12) 0.079(10) 0.078(12) -0.012(8) 0.010(10) 0.003(9) O104 0.064(11) 0.100(11) 0.084(14) -0.013(10) -0.015(11) -0.008(11) _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 C15 C14 1.58(4) . ? C16 C14 1.57(4) . ? C17 C14 1.51(4) . ? C14 Ge1 1.97(3) . ? C18 Ge1 1.88(3) . ? C1 C3 1.51(4) . ? C3 C2 1.55(3) . ? C3 N1 1.55(3) . ? C4 N2 1.30(3) . ? C4 N1 1.37(3) . ? C4 C5 1.51(4) . ? C5 C6 1.32(4) . ? C5 C10 1.37(3) . ? C6 C7 1.49(4) . ? C7 C8 1.35(4) . ? C8 C9 1.39(4) . ? C9 C10 1.41(4) . ? C12 C11 1.52(3) . ? C11 C13 1.46(3) . ? C11 N2 1.54(3) . ? C103 O103 1.15(2) . ? C103 Mn1 1.85(2) . ? C101 O101 1.18(3) . ? C101 Mn1 1.80(2) . ? C102 O102 1.15(3) . ? C102 Mn1 1.82(3) . ? C104 O104 1.16(3) . ? C104 Mn1 1.80(3) . ? Ge1 N1 1.91(2) . ? Ge1 Mn1 2.428(5) . ? Mn1 N2 2.12(2) . ? 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 C17 C14 C16 112(3) . . ? C17 C14 C15 107.6(19) . . ? C16 C14 C15 100(2) . . ? C17 C14 Ge1 110(2) . . ? C16 C14 Ge1 116.8(16) . . ? C15 C14 Ge1 109(2) . . ? C1 C3 C2 117(2) . . ? C1 C3 N1 108(2) . . ? C2 C3 N1 110(2) . . ? N2 C4 N1 121(2) . . ? N2 C4 C5 120(2) . . ? N1 C4 C5 119(2) . . ? C6 C5 C10 125(3) . . ? C6 C5 C4 115(2) . . ? C10 C5 C4 120(3) . . ? C5 C6 C7 119(3) . . ? C8 C7 C6 115(3) . . ? C7 C8 C9 124(3) . . ? C8 C9 C10 119(2) . . ? C5 C10 C9 117(3) . . ? C13 C11 C12 115(2) . . ? C13 C11 N2 111(2) . . ? C12 C11 N2 108.8(19) . . ? O103 C103 Mn1 176(2) . . ? O101 C101 Mn1 176(2) . . ? O102 C102 Mn1 173(3) . . ? O104 C104 Mn1 178(2) . . ? C18 Ge1 N1 109.6(10) . . ? C18 Ge1 C14 105.4(14) . . ? N1 Ge1 C14 110.8(11) . . ? C18 Ge1 Mn1 115.8(14) . . ? N1 Ge1 Mn1 95.0(6) . . ? C14 Ge1 Mn1 119.6(8) . . ? C104 Mn1 C101 87.5(12) . . ? C104 Mn1 C102 94.5(12) . . ? C101 Mn1 C102 90.3(11) . . ? C104 Mn1 C103 90.7(10) . . ? C101 Mn1 C103 176.0(11) . . ? C102 Mn1 C103 93.4(12) . . ? C104 Mn1 N2 161.8(9) . . ? C101 Mn1 N2 94.4(10) . . ? C102 Mn1 N2 103.6(11) . . ? C103 Mn1 N2 86.2(10) . . ? C104 Mn1 Ge1 81.8(7) . . ? C101 Mn1 Ge1 93.6(8) . . ? C102 Mn1 Ge1 174.5(10) . . ? C103 Mn1 Ge1 82.6(8) . . ? N2 Mn1 Ge1 80.0(5) . . ? C4 N1 C3 118(2) . . ? C4 N1 Ge1 115.2(14) . . ? C3 N1 Ge1 125.7(17) . . ? C4 N2 C11 118(2) . . ? C4 N2 Mn1 122.7(16) . . ? C11 N2 Mn1 119.3(15) . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 64.97 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.645 _refine_diff_density_min -0.573 _refine_diff_density_rms 0.107 #===END #-----------------------------------------------------------------------------80 # Data for compound 3 (local labelling xn14_036_dp408) data_xn14_036_dp408 _audit_creation_method SHELXL-97 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C21 H28 F Ge Mn N2 O4' _chemical_formula_sum 'C21 H28 F Ge Mn N2 O4' _chemical_formula_weight 518.98 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ge' 'Ge' -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mn' 'Mn' -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n' _space_group_name_Hall '-P 2yn' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 14.8389(3) _cell_length_b 9.2287(2) _cell_length_c 18.2058(4) _cell_angle_alpha 90.00 _cell_angle_beta 104.035(2) _cell_angle_gamma 90.00 _cell_volume 2418.74(9) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 3249 _cell_measurement_theta_min 4.4080 _cell_measurement_theta_max 68.2220 _exptl_crystal_description fragment _exptl_crystal_colour colourless _exptl_crystal_size_max 0.0538 _exptl_crystal_size_mid 0.0439 _exptl_crystal_size_min 0.0302 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.425 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1064 _exptl_absorpt_coefficient_mu 6.079 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.89254 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_special_details ? _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 1.54180 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'Nova (Cu) X-ray Source' _diffrn_radiation_monochromator 'mirror' _diffrn_measurement_device_type 'Xcalibur, Onyx, Nova' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 9963 _diffrn_reflns_av_R_equivalents 0.0373 _diffrn_reflns_av_sigmaI/netI 0.0443 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 4.41 _diffrn_reflns_theta_max 69.31 _reflns_number_total 4421 _reflns_number_gt 3450 _reflns_threshold_expression >2sigma(I) _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_structure_solution 'SIR-97 (Giacovazzo, 1999)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'MERCUY CSD 3.1 (Build RC5)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0792P)^2^+0.4504P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4421 _refine_ls_number_parameters 278 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0648 _refine_ls_R_factor_gt 0.0484 _refine_ls_wR_factor_ref 0.1486 _refine_ls_wR_factor_gt 0.1370 _refine_ls_goodness_of_fit_ref 1.150 _refine_ls_restrained_S_all 1.150 _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 C1 C -0.0946(4) 0.0181(7) 0.8044(4) 0.0693(15) Uani 1 1 d . . . H1A H -0.0589 -0.0156 0.7689 0.104 Uiso 1 1 calc R . . H1B H -0.1499 -0.0428 0.7995 0.104 Uiso 1 1 calc R . . H1C H -0.0561 0.0118 0.8562 0.104 Uiso 1 1 calc R . . C2 C -0.1739(3) 0.2409(6) 0.8398(3) 0.0485(11) Uani 1 1 d . . . H2A H -0.2248 0.1780 0.8460 0.073 Uiso 1 1 calc R . . H2B H -0.1992 0.3342 0.8186 0.073 Uiso 1 1 calc R . . H2C H -0.1307 0.2567 0.8891 0.073 Uiso 1 1 calc R . . C3 C -0.1233(3) 0.1700(5) 0.7869(3) 0.0484(11) Uani 1 1 d . . . H3 H -0.1722 0.1619 0.7385 0.058 Uiso 1 1 calc R . . C4 C 0.0233(3) 0.3218(5) 0.8154(2) 0.0371(9) Uani 1 1 d . . . C5 C 0.0646(3) 0.2336(5) 0.8842(2) 0.0396(9) Uani 1 1 d . . . C6 C 0.1201(3) 0.1157(5) 0.8752(3) 0.0455(10) Uani 1 1 d . . . H6 H 0.1304 0.0946 0.8269 0.055 Uiso 1 1 calc R . . C7 C 0.1601(3) 0.0295(6) 0.9370(3) 0.0569(13) Uani 1 1 d . . . H7 H 0.1983 -0.0502 0.9314 0.068 Uiso 1 1 calc R . . C8 C 0.1437(4) 0.0608(6) 1.0068(3) 0.0634(16) Uani 1 1 d . . . H8 H 0.1706 0.0014 1.0490 0.076 Uiso 1 1 calc R . . C9 C 0.0889(4) 0.1770(7) 1.0162(3) 0.0612(14) Uani 1 1 d . . . H9 H 0.0786 0.1977 1.0646 0.073 Uiso 1 1 calc R . . C10 C 0.0492(3) 0.2632(5) 0.9544(3) 0.0467(11) Uani 1 1 d . . . H10 H 0.0111 0.3430 0.9605 0.056 Uiso 1 1 calc R . . C11 C 0.1494(3) 0.4884(5) 0.8576(3) 0.0509(12) Uani 1 1 d . . . H11 H 0.1689 0.4051 0.8930 0.061 Uiso 1 1 calc R . . C12 C 0.2300(3) 0.5180(7) 0.8205(4) 0.0716(17) Uani 1 1 d . . . H12A H 0.2389 0.4340 0.7901 0.107 Uiso 1 1 calc R . . H12B H 0.2870 0.5355 0.8599 0.107 Uiso 1 1 calc R . . H12C H 0.2157 0.6035 0.7878 0.107 Uiso 1 1 calc R . . C13 C 0.1302(4) 0.6144(6) 0.9049(4) 0.0683(16) Uani 1 1 d . . . H13A H 0.1118 0.6992 0.8724 0.102 Uiso 1 1 calc R . . H13B H 0.1864 0.6370 0.9441 0.102 Uiso 1 1 calc R . . H13C H 0.0800 0.5883 0.9288 0.102 Uiso 1 1 calc R . . C14 C -0.0854(3) 0.2161(6) 0.5889(3) 0.0496(11) Uani 1 1 d . . . C15 C 0.0062(4) 0.1325(7) 0.6082(3) 0.0642(15) Uani 1 1 d . . . H15A H 0.0058 0.0592 0.5692 0.096 Uiso 1 1 calc R . . H15B H 0.0137 0.0850 0.6574 0.096 Uiso 1 1 calc R . . H15C H 0.0579 0.1998 0.6103 0.096 Uiso 1 1 calc R . . C16 C -0.1676(4) 0.1120(7) 0.5787(4) 0.0757(18) Uani 1 1 d . . . H16A H -0.2256 0.1674 0.5686 0.113 Uiso 1 1 calc R . . H16B H -0.1617 0.0547 0.6250 0.113 Uiso 1 1 calc R . . H16C H -0.1681 0.0470 0.5360 0.113 Uiso 1 1 calc R . . C17 C -0.0932(5) 0.3007(8) 0.5158(3) 0.0715(17) Uani 1 1 d . . . H17A H -0.0917 0.2333 0.4745 0.107 Uiso 1 1 calc R . . H17B H -0.0410 0.3686 0.5222 0.107 Uiso 1 1 calc R . . H17C H -0.1518 0.3547 0.5036 0.107 Uiso 1 1 calc R . . C101 C 0.0902(4) 0.4996(6) 0.6568(3) 0.0592(13) Uani 1 1 d . . . C102 C 0.0686(4) 0.7411(6) 0.7316(4) 0.0605(14) Uani 1 1 d . . . C103 C -0.0815(3) 0.6159(5) 0.7608(3) 0.0441(10) Uani 1 1 d . . . C104 C -0.0643(4) 0.6550(6) 0.6200(3) 0.0586(13) Uani 1 1 d . . . F1 F -0.20555(16) 0.3895(3) 0.65986(15) 0.0490(6) Uani 1 1 d . . . Ge1 Ge -0.08488(3) 0.35986(6) 0.67015(3) 0.03826(17) Uani 1 1 d . . . Mn1 Mn 0.00447(5) 0.57206(8) 0.70541(4) 0.0440(2) Uani 1 1 d . . . N1 N -0.0535(2) 0.2693(4) 0.76684(19) 0.0374(8) Uani 1 1 d . . . N2 N 0.0636(2) 0.4420(4) 0.8014(2) 0.0389(8) Uani 1 1 d . . . O101 O 0.1443(3) 0.4556(5) 0.6274(3) 0.0805(13) Uani 1 1 d . . . O102 O 0.1039(3) 0.8511(4) 0.7417(3) 0.0803(13) Uani 1 1 d . . . O103 O -0.1321(2) 0.6390(4) 0.7968(2) 0.0571(9) Uani 1 1 d . . . O104 O -0.1095(3) 0.7061(5) 0.5668(2) 0.0784(12) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.068(3) 0.063(3) 0.083(4) 0.010(3) 0.028(3) -0.005(3) C2 0.040(2) 0.057(3) 0.053(3) 0.008(2) 0.020(2) -0.001(2) C3 0.050(2) 0.048(3) 0.052(3) -0.002(2) 0.020(2) -0.014(2) C4 0.036(2) 0.040(2) 0.037(2) 0.0009(18) 0.0129(17) 0.0008(17) C5 0.041(2) 0.039(2) 0.038(2) 0.0064(18) 0.0064(18) -0.0059(18) C6 0.042(2) 0.041(2) 0.051(3) 0.004(2) 0.006(2) -0.0036(19) C7 0.043(2) 0.044(3) 0.076(4) 0.013(3) -0.001(2) -0.004(2) C8 0.060(3) 0.061(3) 0.055(3) 0.023(3) -0.014(3) -0.013(3) C9 0.071(3) 0.068(4) 0.037(2) 0.005(2) -0.002(2) -0.019(3) C10 0.054(2) 0.047(3) 0.037(2) -0.002(2) 0.007(2) -0.007(2) C11 0.039(2) 0.047(3) 0.063(3) 0.010(2) 0.004(2) -0.006(2) C12 0.037(2) 0.078(4) 0.099(5) 0.017(4) 0.016(3) -0.012(3) C13 0.067(3) 0.053(3) 0.074(4) -0.003(3) -0.001(3) -0.015(3) C14 0.054(3) 0.056(3) 0.038(2) 0.003(2) 0.011(2) 0.017(2) C15 0.073(3) 0.064(3) 0.055(3) 0.000(3) 0.015(3) 0.030(3) C16 0.077(4) 0.066(4) 0.077(4) -0.017(3) 0.003(3) 0.006(3) C17 0.090(4) 0.088(4) 0.041(3) 0.014(3) 0.025(3) 0.034(4) C101 0.055(3) 0.064(3) 0.063(3) 0.023(3) 0.023(3) 0.009(3) C102 0.054(3) 0.052(3) 0.082(4) 0.019(3) 0.029(3) 0.006(2) C103 0.041(2) 0.039(2) 0.051(3) 0.006(2) 0.008(2) 0.0026(19) C104 0.064(3) 0.055(3) 0.064(3) 0.016(3) 0.029(3) 0.014(3) F1 0.0380(12) 0.0669(17) 0.0412(14) -0.0006(12) 0.0076(10) 0.0114(12) Ge1 0.0378(3) 0.0454(3) 0.0334(3) 0.0061(2) 0.01240(19) 0.0077(2) Mn1 0.0428(4) 0.0414(4) 0.0518(4) 0.0140(3) 0.0194(3) 0.0057(3) N1 0.0356(16) 0.045(2) 0.0327(17) 0.0052(15) 0.0102(14) -0.0050(15) N2 0.0306(16) 0.0392(19) 0.048(2) 0.0072(16) 0.0109(15) -0.0012(14) O101 0.073(2) 0.097(3) 0.088(3) 0.022(3) 0.052(2) 0.021(2) O102 0.080(3) 0.049(2) 0.117(4) 0.019(2) 0.034(3) -0.012(2) O103 0.0536(18) 0.061(2) 0.061(2) -0.0022(18) 0.0231(17) 0.0099(16) O104 0.089(3) 0.084(3) 0.065(2) 0.037(2) 0.023(2) 0.032(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C3 1.477(8) . ? C2 C3 1.506(7) . ? C3 N1 1.494(6) . ? C4 N2 1.314(6) . ? C4 N1 1.352(5) . ? C4 C5 1.495(6) . ? C5 C10 1.379(6) . ? C5 C6 1.398(7) . ? C6 C7 1.388(7) . ? C7 C8 1.379(9) . ? C8 C9 1.382(9) . ? C9 C10 1.388(7) . ? C11 N2 1.490(6) . ? C11 C13 1.515(8) . ? C11 C12 1.534(7) . ? C14 C17 1.523(7) . ? C14 C15 1.528(7) . ? C14 C16 1.528(9) . ? C14 Ge1 1.986(5) . ? C101 O101 1.142(7) . ? C101 Mn1 1.843(6) . ? C102 O102 1.136(7) . ? C102 Mn1 1.829(6) . ? C103 O103 1.130(6) . ? C103 Mn1 1.853(5) . ? C104 O104 1.138(6) . ? C104 Mn1 1.810(6) . ? F1 Ge1 1.776(2) . ? Ge1 N1 1.901(3) . ? Ge1 Mn1 2.3647(9) . ? Mn1 N2 2.126(4) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 C3 N1 117.0(4) . . ? C1 C3 C2 116.0(5) . . ? N1 C3 C2 111.9(4) . . ? N2 C4 N1 121.7(4) . . ? N2 C4 C5 120.6(4) . . ? N1 C4 C5 117.5(4) . . ? C10 C5 C6 119.9(4) . . ? C10 C5 C4 122.8(4) . . ? C6 C5 C4 117.3(4) . . ? C7 C6 C5 119.9(5) . . ? C8 C7 C6 119.4(5) . . ? C7 C8 C9 121.1(5) . . ? C8 C9 C10 119.4(5) . . ? C5 C10 C9 120.3(5) . . ? N2 C11 C13 111.3(4) . . ? N2 C11 C12 112.2(5) . . ? C13 C11 C12 112.8(5) . . ? C17 C14 C15 109.6(4) . . ? C17 C14 C16 109.1(5) . . ? C15 C14 C16 110.5(5) . . ? C17 C14 Ge1 107.1(4) . . ? C15 C14 Ge1 108.9(3) . . ? C16 C14 Ge1 111.6(4) . . ? O101 C101 Mn1 179.0(6) . . ? O102 C102 Mn1 173.7(6) . . ? O103 C103 Mn1 177.3(4) . . ? O104 C104 Mn1 178.4(5) . . ? F1 Ge1 N1 100.37(13) . . ? F1 Ge1 C14 101.70(17) . . ? N1 Ge1 C14 110.62(18) . . ? F1 Ge1 Mn1 112.68(10) . . ? N1 Ge1 Mn1 96.73(11) . . ? C14 Ge1 Mn1 130.99(16) . . ? C104 Mn1 C102 90.7(3) . . ? C104 Mn1 C101 93.0(2) . . ? C102 Mn1 C101 93.4(3) . . ? C104 Mn1 C103 93.2(2) . . ? C102 Mn1 C103 93.1(2) . . ? C101 Mn1 C103 170.9(2) . . ? C104 Mn1 N2 168.3(2) . . ? C102 Mn1 N2 100.5(2) . . ? C101 Mn1 N2 89.70(19) . . ? C103 Mn1 N2 82.93(17) . . ? C104 Mn1 Ge1 87.40(19) . . ? C102 Mn1 Ge1 177.33(17) . . ? C101 Mn1 Ge1 88.62(19) . . ? C103 Mn1 Ge1 85.07(15) . . ? N2 Mn1 Ge1 81.26(10) . . ? C4 N1 C3 125.8(4) . . ? C4 N1 Ge1 115.3(3) . . ? C3 N1 Ge1 117.9(3) . . ? C4 N2 C11 117.5(4) . . ? C4 N2 Mn1 121.3(3) . . ? C11 N2 Mn1 121.0(3) . . ? _diffrn_measured_fraction_theta_max 0.977 _diffrn_reflns_theta_full 69.31 _diffrn_measured_fraction_theta_full 0.977 _refine_diff_density_max 1.480 _refine_diff_density_min -0.432 _refine_diff_density_rms 0.091 #===END #-----------------------------------------------------------------------------80 # Data for compound 4.5 (local labelling xn14_016_dp538) data_xn14_016_dp538 _audit_creation_method SHELXL-2014 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C22 H28 F3 Ge Mn N2 O7 S, C16 H20 Ge2 Mn2 O11' _chemical_formula_sum 'C38 H48 F3 Ge3 Mn3 N2 O18 S' _chemical_formula_weight 1292.43 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ge' 'Ge' -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mn' 'Mn' -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 22.1574(3) _cell_length_b 9.5888(2) _cell_length_c 25.3889(4) _cell_angle_alpha 90 _cell_angle_beta 96.572(15) _cell_angle_gamma 90 _cell_volume 5358.8(2) _cell_formula_units_Z 4 _cell_measurement_temperature 152(2) _cell_measurement_reflns_used 8295 _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description frament _exptl_crystal_colour colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.602 _exptl_crystal_F_000 2592 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.0899 _exptl_crystal_size_mid 0.0798 _exptl_crystal_size_min 0.0500 _exptl_absorpt_coefficient_mu 8.517 _exptl_absorpt_correction_T_min 0.60562 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 152(2) _diffrn_radiation_wavelength 1.5418 _diffrn_radiation_type CuK\a _diffrn_source 'Nova (Cu) X-ray Source' _diffrn_measurement_device_type 'Xcalibur, Onyx, Nova' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 23967 _diffrn_reflns_av_unetI/netI 0.0454 _diffrn_reflns_av_R_equivalents 0.0404 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 3.505 _diffrn_reflns_theta_max 69.337 _diffrn_reflns_theta_full 70.000 _diffrn_measured_fraction_theta_max 0.981 _diffrn_measured_fraction_theta_full 0.968 _diffrn_reflns_Laue_measured_fraction_max 0.981 _diffrn_reflns_Laue_measured_fraction_full 0.968 _diffrn_reflns_point_group_measured_fraction_max 0.981 _diffrn_reflns_point_group_measured_fraction_full 0.968 _reflns_number_total 9836 _reflns_number_gt 7876 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_structure_solution 'SIR-97 (Giacovazzo, 1999)' _computing_structure_refinement 'SHELXL-2014 (Sheldrick, 2014)' _computing_molecular_graphics 'MERCUY CSD 3.1 (Build RC5)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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. The iPr group attached to N2 was found disorder over two positions in a 74:26 ratio.Restraints on the thermal and geometrical parameters of the atoms involved in this positional disorder were applied. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0393P)^2^+1.2731P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 9836 _refine_ls_number_parameters 665 _refine_ls_number_restraints 32 _refine_ls_R_factor_all 0.0532 _refine_ls_R_factor_gt 0.0380 _refine_ls_wR_factor_ref 0.0952 _refine_ls_wR_factor_gt 0.0853 _refine_ls_goodness_of_fit_ref 1.040 _refine_ls_restrained_S_all 1.039 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C4 C 0.34163(17) 0.9906(4) 0.53635(16) 0.0491(9) Uani 1 1 d . . . . . C5 C 0.34302(19) 1.1047(4) 0.49734(15) 0.0525(10) Uani 1 1 d . . . . . C6 C 0.2903(2) 1.1366(5) 0.46443(17) 0.0623(12) Uani 1 1 d . . . . . H6 H 0.2544 1.0899 0.4685 0.075 Uiso 1 1 calc R U . . . C7 C 0.2913(3) 1.2367(5) 0.42607(18) 0.0720(14) Uani 1 1 d . . . . . H7 H 0.2559 1.2573 0.4040 0.086 Uiso 1 1 calc R U . . . C8 C 0.3435(3) 1.3062(5) 0.41992(18) 0.0775(16) Uani 1 1 d . . . . . H8 H 0.3439 1.3719 0.3930 0.093 Uiso 1 1 calc R U . . . C9 C 0.3965(3) 1.2792(6) 0.4539(2) 0.0837(15) Uani 1 1 d . . . . . H9 H 0.4319 1.3290 0.4505 0.100 Uiso 1 1 calc R U . . . C10 C 0.3957(2) 1.1772(5) 0.49265(19) 0.0683(12) Uani 1 1 d . . . . . H10 H 0.4307 1.1580 0.5154 0.082 Uiso 1 1 calc R U . . . C11 C 0.3343(4) 1.1414(7) 0.6151(3) 0.068(4) Uani 0.743(12) 1 d D U P A 1 H11 H 0.3233 1.2134 0.5883 0.081 Uiso 0.743(12) 1 calc R U P A 1 C12 C 0.3960(4) 1.1766(8) 0.6428(4) 0.080(3) Uani 0.743(12) 1 d D U P A 1 H12A H 0.4090 1.1044 0.6677 0.121 Uiso 0.743(12) 1 calc R U P A 1 H12B H 0.3941 1.2637 0.6612 0.121 Uiso 0.743(12) 1 calc R U P A 1 H12C H 0.4244 1.1844 0.6171 0.121 Uiso 0.743(12) 1 calc R U P A 1 C13 C 0.2858(5) 1.1397(11) 0.6523(4) 0.115(4) Uani 0.743(12) 1 d D U P A 1 H13A H 0.2855 1.2277 0.6704 0.172 Uiso 0.743(12) 1 calc R U P A 1 H13B H 0.2941 1.0663 0.6778 0.172 Uiso 0.743(12) 1 calc R U P A 1 H13C H 0.2468 1.1241 0.6324 0.172 Uiso 0.743(12) 1 calc R U P A 1 C11A C 0.3292(10) 1.1419(19) 0.6133(9) 0.081(13) Uani 0.257(12) 1 d D U P A 2 H11A H 0.3525 1.2093 0.5948 0.097 Uiso 0.257(12) 1 calc R U P A 2 C13A C 0.2642(10) 1.192(3) 0.6064(10) 0.098(9) Uani 0.257(12) 1 d D U P A 2 H13D H 0.2388 1.1247 0.6211 0.148 Uiso 0.257(12) 1 calc R U P A 2 H13E H 0.2509 1.2044 0.5694 0.148 Uiso 0.257(12) 1 calc R U P A 2 H13F H 0.2615 1.2796 0.6245 0.148 Uiso 0.257(12) 1 calc R U P A 2 C12A C 0.3575(16) 1.141(2) 0.6702(9) 0.101(10) Uani 0.257(12) 1 d D U P A 2 H12D H 0.3373 1.0728 0.6897 0.152 Uiso 0.257(12) 1 calc R U P A 2 H12E H 0.3534 1.2313 0.6855 0.152 Uiso 0.257(12) 1 calc R U P A 2 H12F H 0.3998 1.1174 0.6715 0.152 Uiso 0.257(12) 1 calc R U P A 2 C14 C 0.2562(2) 0.7392(7) 0.6039(3) 0.094(2) Uani 1 1 d . . . . . C15 C 0.2536(3) 0.5824(7) 0.5911(3) 0.122(3) Uani 1 1 d . . . . . H15A H 0.2820 0.5336 0.6160 0.183 Uiso 1 1 calc R U . . . H15B H 0.2638 0.5676 0.5558 0.183 Uiso 1 1 calc R U . . . H15C H 0.2133 0.5481 0.5937 0.183 Uiso 1 1 calc R U . . . C16 C 0.2435(3) 0.7648(9) 0.6607(3) 0.128(3) Uani 1 1 d . . . . . H16A H 0.2438 0.8633 0.6676 0.192 Uiso 1 1 calc R U . . . H16B H 0.2742 0.7201 0.6847 0.192 Uiso 1 1 calc R U . . . H16C H 0.2044 0.7273 0.6658 0.192 Uiso 1 1 calc R U . . . C17 C 0.2125(2) 0.8205(8) 0.5635(3) 0.136(3) Uani 1 1 d . . . . . H17A H 0.1714 0.7939 0.5671 0.203 Uiso 1 1 calc R U . . . H17B H 0.2215 0.7997 0.5283 0.203 Uiso 1 1 calc R U . . . H17C H 0.2174 0.9187 0.5700 0.203 Uiso 1 1 calc R U . . . C18 C 0.3812(2) 0.8824(6) 0.79726(18) 0.0650(12) Uani 1 1 d . . . . . C19 C 0.18034(15) -0.0948(4) 0.32912(13) 0.0407(8) Uani 1 1 d . . . . . C20 C 0.24355(16) -0.0401(4) 0.32165(16) 0.0503(9) Uani 1 1 d . . . . . H20A H 0.2725 -0.1148 0.3268 0.075 Uiso 1 1 calc R U . . . H20B H 0.2546 0.0324 0.3470 0.075 Uiso 1 1 calc R U . . . H20C H 0.2433 -0.0035 0.2864 0.075 Uiso 1 1 calc R U . . . C21 C 0.16135(18) -0.2087(4) 0.28892(16) 0.0531(10) Uani 1 1 d . . . . . H21A H 0.1617 -0.1724 0.2537 0.080 Uiso 1 1 calc R U . . . H21B H 0.1212 -0.2402 0.2935 0.080 Uiso 1 1 calc R U . . . H21C H 0.1892 -0.2855 0.2941 0.080 Uiso 1 1 calc R U . . . C22 C 0.1794(2) -0.1502(4) 0.38529(15) 0.0551(10) Uani 1 1 d . . . . . H22A H 0.1395 -0.1844 0.3894 0.083 Uiso 1 1 calc R U . . . H22B H 0.1898 -0.0765 0.4103 0.083 Uiso 1 1 calc R U . . . H22C H 0.2083 -0.2247 0.3915 0.083 Uiso 1 1 calc R U . . . C23 C 0.09596(17) 0.4308(4) 0.43427(14) 0.0464(9) Uani 1 1 d . . . . . C24 C 0.15813(19) 0.4864(5) 0.42553(19) 0.0614(11) Uani 1 1 d . . . . . H24A H 0.1576 0.5166 0.3894 0.092 Uiso 1 1 calc R U . . . H24B H 0.1879 0.4140 0.4327 0.092 Uiso 1 1 calc R U . . . H24C H 0.1683 0.5637 0.4489 0.092 Uiso 1 1 calc R U . . . C25 C 0.0480(2) 0.5441(5) 0.42286(18) 0.0633(12) Uani 1 1 d . . . . . H25A H 0.0577 0.6217 0.4462 0.095 Uiso 1 1 calc R U . . . H25B H 0.0089 0.5076 0.4285 0.095 Uiso 1 1 calc R U . . . H25C H 0.0472 0.5743 0.3867 0.095 Uiso 1 1 calc R U . . . C26 C 0.0972(2) 0.3763(5) 0.49104(15) 0.0627(11) Uani 1 1 d . . . . . H26A H 0.1077 0.4509 0.5156 0.094 Uiso 1 1 calc R U . . . H26B H 0.1268 0.3031 0.4969 0.094 Uiso 1 1 calc R U . . . H26C H 0.0578 0.3406 0.4963 0.094 Uiso 1 1 calc R U . . . C101 C 0.44059(19) 0.5939(5) 0.59436(18) 0.0585(11) Uani 1 1 d . . . . . C102 C 0.51076(19) 0.6617(4) 0.67616(16) 0.0526(10) Uani 1 1 d . . . . . C103 C 0.46769(16) 0.8589(5) 0.60960(16) 0.0487(9) Uani 1 1 d . . . . . C104 C 0.39234(19) 0.5853(4) 0.68298(18) 0.0544(10) Uani 1 1 d . . . . . C201 C 0.18747(17) 0.3127(4) 0.28692(13) 0.0420(8) Uani 1 1 d . . . . . C202 C 0.03780(17) 0.1824(4) 0.23002(15) 0.0483(9) Uani 1 1 d . . . . . C203 C 0.10069(17) 0.4137(4) 0.21321(15) 0.0480(9) Uani 1 1 d . . . . . C204 C 0.14600(16) 0.1604(4) 0.20636(14) 0.0423(8) Uani 1 1 d . . . . . C301 C 0.0472(2) 0.0326(5) 0.44440(18) 0.0577(11) Uani 1 1 d . . . . . C302 C -0.05007(19) 0.1806(5) 0.3301(2) 0.0574(11) Uani 1 1 d . . . . . C303 C -0.0592(2) -0.0440(5) 0.39127(17) 0.0648(12) Uani 1 1 d . . . . . C304 C -0.04158(19) 0.2067(5) 0.42968(18) 0.0610(12) Uani 1 1 d . . . . . F1 F 0.34814(13) 0.9895(3) 0.77786(12) 0.0856(9) Uani 1 1 d . . . . . F2 F 0.34682(13) 0.7709(4) 0.79338(13) 0.0918(9) Uani 1 1 d . . . . . F3 F 0.39789(15) 0.9064(4) 0.84833(11) 0.0902(9) Uani 1 1 d . . . . . Ge1 Ge 0.34077(2) 0.80343(5) 0.59920(2) 0.04988(13) Uani 1 1 d . . . . . Ge2 Ge 0.12430(2) 0.06642(4) 0.31960(2) 0.03356(10) Uani 1 1 d . . . . . Ge3 Ge 0.07372(2) 0.27480(4) 0.38491(2) 0.03792(10) Uani 1 1 d . . . . . Mn1 Mn 0.43447(3) 0.71592(6) 0.64619(2) 0.04338(15) Uani 1 1 d . . . . . Mn2 Mn 0.11194(2) 0.25600(6) 0.25525(2) 0.03505(13) Uani 1 1 d . . . . . Mn3 Mn -0.00430(3) 0.09897(7) 0.38710(2) 0.04665(16) Uani 1 1 d . . . . . N1 N 0.34499(15) 0.8573(4) 0.52480(13) 0.0545(8) Uani 1 1 d . . . . . N2 N 0.33605(14) 1.0065(3) 0.58738(13) 0.0511(8) Uani 1 1 d D . . . . S1 S 0.44781(4) 0.85849(11) 0.76244(4) 0.0499(2) Uani 1 1 d . . . . . O1 O 0.42000(12) 0.8529(3) 0.70746(10) 0.0530(7) Uani 1 1 d . . . . . O2 O 0.47423(14) 0.7307(4) 0.78204(11) 0.0692(9) Uani 1 1 d . . . . . O3 O 0.48219(15) 0.9823(4) 0.77323(13) 0.0763(9) Uani 1 1 d . . . . . O4 O 0.07579(11) 0.3560(3) 0.31800(9) 0.0409(5) Uani 1 1 d D . . . . O5 O 0.13906(9) 0.1672(2) 0.37954(8) 0.0364(5) Uani 1 1 d . . . . . O6 O 0.05009(11) -0.0044(3) 0.33647(10) 0.0415(6) Uani 1 1 d D . . . . O101 O 0.44640(17) 0.5113(4) 0.56221(14) 0.0816(10) Uani 1 1 d . . . . . O102 O 0.55913(13) 0.6260(3) 0.68985(13) 0.0674(8) Uani 1 1 d . . . . . O103 O 0.48741(13) 0.9441(3) 0.58600(13) 0.0652(8) Uani 1 1 d . . . . . O104 O 0.36720(15) 0.5074(3) 0.70569(15) 0.0727(9) Uani 1 1 d . . . . . O201 O 0.23397(12) 0.3489(3) 0.30608(10) 0.0565(7) Uani 1 1 d . . . . . O202 O -0.00701(13) 0.1342(4) 0.21196(14) 0.0728(9) Uani 1 1 d . . . . . O203 O 0.09433(15) 0.5074(4) 0.18603(13) 0.0724(9) Uani 1 1 d . . . . . O204 O 0.16853(13) 0.0985(3) 0.17466(11) 0.0591(7) Uani 1 1 d . . . . . O301 O 0.07848(18) -0.0060(4) 0.48024(13) 0.0811(10) Uani 1 1 d . . . . . O302 O -0.08165(15) 0.2328(4) 0.29724(15) 0.0775(9) Uani 1 1 d . . . . . O303 O -0.09488(18) -0.1254(4) 0.39715(15) 0.0956(13) Uani 1 1 d . . . . . O304 O -0.06599(15) 0.2805(4) 0.45667(15) 0.0858(12) Uani 1 1 d . . . . . C3 C 0.3535(3) 0.7988(5) 0.47261(17) 0.0703(14) Uani 1 1 d . . . . . H3 H 0.3326 0.8606 0.4457 0.084 Uiso 1 1 calc R U . . . C2 C 0.3239(3) 0.6571(5) 0.4657(2) 0.0917(19) Uani 1 1 d . . . . . H2A H 0.3427 0.5944 0.4921 0.138 Uiso 1 1 calc R U . . . H2B H 0.3286 0.6217 0.4310 0.138 Uiso 1 1 calc R U . . . H2C H 0.2814 0.6652 0.4695 0.138 Uiso 1 1 calc R U . . . C1 C 0.4195(3) 0.7965(6) 0.4642(2) 0.0889(17) Uani 1 1 d . . . . . H1A H 0.4363 0.8884 0.4696 0.133 Uiso 1 1 calc R U . . . H1B H 0.4235 0.7664 0.4287 0.133 Uiso 1 1 calc R U . . . H1C H 0.4410 0.7332 0.4890 0.133 Uiso 1 1 calc R U . . . H400 H 0.0495(15) 0.409(4) 0.3066(16) 0.054(13) Uiso 1 1 d D . . . . H600 H 0.0352(15) -0.068(3) 0.3207(13) 0.036(10) Uiso 1 1 d 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 C4 0.0441(19) 0.044(2) 0.054(2) -0.0001(18) -0.0154(17) 0.0011(17) C5 0.063(2) 0.039(2) 0.051(2) -0.0028(17) -0.0121(19) 0.0082(19) C6 0.072(3) 0.050(3) 0.058(2) -0.009(2) -0.022(2) 0.014(2) C7 0.101(4) 0.049(3) 0.060(3) -0.005(2) -0.019(3) 0.023(3) C8 0.127(5) 0.053(3) 0.050(2) 0.005(2) 0.001(3) 0.035(3) C9 0.100(4) 0.065(3) 0.089(4) 0.020(3) 0.021(3) 0.007(3) C10 0.072(3) 0.059(3) 0.071(3) 0.017(2) -0.004(2) 0.009(2) C11 0.088(8) 0.051(7) 0.064(7) 0.008(6) 0.004(6) 0.016(6) C12 0.108(6) 0.043(4) 0.083(5) -0.011(4) -0.019(5) -0.002(4) C13 0.131(8) 0.114(8) 0.105(7) -0.011(6) 0.042(6) 0.035(6) C11A 0.067(18) 0.09(2) 0.09(2) -0.058(17) -0.008(16) 0.034(16) C13A 0.123(19) 0.079(16) 0.093(17) 0.000(13) 0.014(14) 0.057(15) C12A 0.18(3) 0.046(12) 0.076(14) -0.027(11) -0.009(16) 0.003(15) C14 0.042(2) 0.100(5) 0.136(5) 0.031(4) -0.006(3) -0.016(3) C15 0.086(4) 0.102(5) 0.166(7) 0.043(5) -0.038(4) -0.058(4) C16 0.057(3) 0.149(7) 0.184(8) 0.052(6) 0.042(4) -0.003(4) C17 0.042(3) 0.144(7) 0.210(8) 0.059(6) -0.031(4) -0.015(3) C18 0.063(3) 0.067(3) 0.065(3) 0.007(2) 0.009(2) -0.002(3) C19 0.0423(18) 0.036(2) 0.0428(18) -0.0010(15) 0.0023(15) 0.0048(15) C20 0.0451(19) 0.048(2) 0.058(2) -0.0106(18) 0.0064(17) 0.0066(18) C21 0.056(2) 0.040(2) 0.061(2) -0.0136(18) -0.0034(19) 0.0075(18) C22 0.067(2) 0.045(2) 0.052(2) 0.0074(18) 0.0008(19) 0.004(2) C23 0.051(2) 0.041(2) 0.0471(19) -0.0115(17) 0.0057(16) -0.0033(17) C24 0.057(2) 0.053(3) 0.074(3) -0.017(2) 0.010(2) -0.015(2) C25 0.069(3) 0.054(3) 0.067(3) -0.023(2) 0.006(2) 0.009(2) C26 0.082(3) 0.058(3) 0.048(2) -0.013(2) 0.006(2) -0.008(2) C101 0.056(2) 0.051(3) 0.066(3) 0.000(2) -0.005(2) -0.004(2) C102 0.056(2) 0.043(2) 0.057(2) 0.0048(18) -0.0015(19) -0.0022(19) C103 0.0403(19) 0.049(2) 0.054(2) 0.0008(19) -0.0068(17) 0.0024(18) C104 0.052(2) 0.037(2) 0.073(3) -0.004(2) -0.001(2) 0.0026(19) C201 0.051(2) 0.043(2) 0.0334(17) 0.0071(15) 0.0086(15) -0.0016(17) C202 0.048(2) 0.046(2) 0.051(2) -0.0076(18) 0.0050(17) 0.0028(18) C203 0.049(2) 0.049(2) 0.046(2) 0.0025(18) 0.0024(16) 0.0017(18) C204 0.0461(19) 0.043(2) 0.0371(17) 0.0030(16) 0.0031(15) -0.0045(17) C301 0.070(3) 0.055(3) 0.053(2) -0.008(2) 0.026(2) -0.018(2) C302 0.044(2) 0.053(3) 0.078(3) -0.021(2) 0.020(2) -0.005(2) C303 0.071(3) 0.068(3) 0.061(3) -0.020(2) 0.031(2) -0.028(2) C304 0.053(2) 0.070(3) 0.065(2) -0.027(2) 0.028(2) -0.023(2) F1 0.0791(18) 0.086(2) 0.094(2) 0.0108(17) 0.0206(16) 0.0292(17) F2 0.0744(17) 0.095(2) 0.110(2) 0.0142(19) 0.0252(16) -0.0225(17) F3 0.107(2) 0.106(3) 0.0600(16) -0.0041(16) 0.0227(15) 0.0109(19) Ge1 0.0378(2) 0.0474(3) 0.0612(3) 0.0049(2) -0.00835(19) -0.00458(19) Ge2 0.03467(18) 0.0324(2) 0.03484(18) -0.00049(15) 0.00927(14) -0.00038(16) Ge3 0.03713(19) 0.0378(2) 0.0404(2) -0.00881(17) 0.01123(16) -0.00458(17) Mn1 0.0396(3) 0.0373(3) 0.0509(3) 0.0015(3) -0.0049(2) -0.0013(2) Mn2 0.0360(3) 0.0353(3) 0.0340(3) 0.0001(2) 0.0045(2) -0.0004(2) Mn3 0.0443(3) 0.0493(4) 0.0499(3) -0.0142(3) 0.0207(3) -0.0132(3) N1 0.063(2) 0.042(2) 0.0527(18) -0.0023(15) -0.0180(16) -0.0038(16) N2 0.0506(18) 0.044(2) 0.0567(19) 0.0009(15) -0.0031(15) 0.0060(15) S1 0.0489(5) 0.0502(6) 0.0495(5) -0.0002(4) 0.0006(4) -0.0026(4) O1 0.0625(16) 0.0430(16) 0.0506(14) -0.0009(12) -0.0059(12) 0.0063(13) O2 0.0734(19) 0.077(2) 0.0552(16) 0.0117(15) -0.0018(14) 0.0217(17) O3 0.0724(19) 0.080(2) 0.076(2) -0.0149(18) 0.0050(16) -0.0302(18) O4 0.0412(13) 0.0378(14) 0.0440(13) -0.0021(11) 0.0066(11) 0.0045(11) O5 0.0370(11) 0.0381(13) 0.0349(11) -0.0047(10) 0.0074(9) -0.0050(10) O6 0.0430(13) 0.0388(15) 0.0444(13) -0.0110(11) 0.0127(11) -0.0112(11) O101 0.100(3) 0.066(2) 0.076(2) -0.0196(19) -0.0043(19) 0.016(2) O102 0.0473(15) 0.067(2) 0.084(2) 0.0121(17) -0.0086(15) 0.0100(15) O103 0.0530(16) 0.062(2) 0.079(2) 0.0210(17) 0.0019(15) -0.0081(15) O104 0.0710(19) 0.0437(18) 0.105(3) 0.0148(18) 0.0169(18) -0.0067(16) O201 0.0481(14) 0.073(2) 0.0462(14) 0.0117(13) -0.0022(12) -0.0203(14) O202 0.0507(16) 0.069(2) 0.095(2) -0.0244(18) -0.0064(16) -0.0065(16) O203 0.086(2) 0.061(2) 0.0686(19) 0.0290(17) 0.0024(16) 0.0080(17) O204 0.0717(18) 0.0599(19) 0.0496(15) -0.0098(14) 0.0236(14) 0.0007(15) O301 0.100(2) 0.094(3) 0.0505(18) 0.0113(18) 0.0147(18) -0.010(2) O302 0.0579(18) 0.077(2) 0.096(2) -0.005(2) 0.0037(18) 0.0076(18) O303 0.105(3) 0.095(3) 0.096(3) -0.030(2) 0.051(2) -0.061(2) O304 0.0666(19) 0.097(3) 0.101(3) -0.054(2) 0.0413(18) -0.0187(19) C3 0.102(4) 0.047(3) 0.054(2) -0.007(2) -0.025(3) 0.010(3) C2 0.135(5) 0.052(3) 0.076(3) -0.010(3) -0.040(3) 0.001(3) C1 0.127(5) 0.075(4) 0.064(3) -0.005(3) 0.012(3) 0.012(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C4 N1 1.315(5) . ? C4 N2 1.324(5) . ? C4 C5 1.478(6) . ? C4 Ge1 2.403(4) . ? C5 C10 1.375(7) . ? C5 C6 1.390(5) . ? C6 C7 1.369(7) . ? C7 C8 1.359(8) . ? C8 C9 1.400(8) . ? C9 C10 1.389(7) . ? C11 N2 1.475(7) . ? C11 C12 1.503(8) . ? C11 C13 1.510(8) . ? C11A N2 1.472(10) . ? C11A C12A 1.506(10) . ? C11A C13A 1.511(10) . ? C14 C16 1.523(10) . ? C14 C15 1.537(10) . ? C14 C17 1.538(8) . ? C14 Ge1 1.989(5) . ? C18 F2 1.309(6) . ? C18 F1 1.323(6) . ? C18 F3 1.327(5) . ? C18 S1 1.820(5) . ? C19 C21 1.521(5) . ? C19 C22 1.524(5) . ? C19 C20 1.528(5) . ? C19 Ge2 1.981(3) . ? C23 C24 1.517(5) . ? C23 C25 1.524(6) . ? C23 C26 1.531(6) . ? C23 Ge3 1.978(4) . ? C101 O101 1.155(5) . ? C101 Mn1 1.778(5) . ? C102 O102 1.141(5) . ? C102 Mn1 1.847(4) . ? C103 O103 1.130(5) . ? C103 Mn1 1.855(5) . ? C104 O104 1.129(5) . ? C104 Mn1 1.874(5) . ? C201 O201 1.142(4) . ? C201 Mn2 1.853(4) . ? C202 O202 1.143(5) . ? C202 Mn2 1.835(4) . ? C203 O203 1.132(5) . ? C203 Mn2 1.851(4) . ? C204 O204 1.158(4) . ? C204 Mn2 1.779(4) . ? C301 O301 1.141(6) . ? C301 Mn3 1.855(5) . ? C302 O302 1.141(6) . ? C302 Mn3 1.844(5) . ? C303 O303 1.133(5) . ? C303 Mn3 1.844(4) . ? C304 O304 1.161(5) . ? C304 Mn3 1.767(4) . ? Ge1 N2 1.971(3) . ? Ge1 N1 1.971(3) . ? Ge1 Mn1 2.4232(7) . ? Ge2 O5 1.801(2) . ? Ge2 O6 1.873(2) . ? Ge2 Mn2 2.4384(6) . ? Ge2 Ge3 2.9023(6) . ? Ge3 O5 1.796(2) . ? Ge3 O4 1.874(2) . ? Ge3 Mn3 2.4199(7) . ? Mn1 O1 2.088(3) . ? Mn2 O4 2.096(2) . ? Mn3 O6 2.108(2) . ? N1 C3 1.471(6) . ? S1 O3 1.421(3) . ? S1 O2 1.423(3) . ? S1 O1 1.461(3) . ? C3 C1 1.504(8) . ? C3 C2 1.510(7) . ? 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 N1 C4 N2 110.1(4) . . ? N1 C4 C5 124.3(4) . . ? N2 C4 C5 125.6(4) . . ? N1 C4 Ge1 55.1(2) . . ? N2 C4 Ge1 55.1(2) . . ? C5 C4 Ge1 179.1(3) . . ? C10 C5 C6 119.9(4) . . ? C10 C5 C4 121.0(3) . . ? C6 C5 C4 119.0(4) . . ? C7 C6 C5 120.1(5) . . ? C8 C7 C6 120.5(4) . . ? C7 C8 C9 120.3(5) . . ? C10 C9 C8 119.2(6) . . ? C5 C10 C9 119.9(4) . . ? N2 C11 C12 110.3(6) . . ? N2 C11 C13 110.5(6) . . ? C12 C11 C13 112.7(8) . . ? N2 C11A C12A 111.7(14) . . ? N2 C11A C13A 112.1(14) . . ? C12A C11A C13A 114(2) . . ? C16 C14 C15 110.5(6) . . ? C16 C14 C17 112.3(6) . . ? C15 C14 C17 110.5(6) . . ? C16 C14 Ge1 106.5(4) . . ? C15 C14 Ge1 107.6(4) . . ? C17 C14 Ge1 109.2(4) . . ? F2 C18 F1 108.3(4) . . ? F2 C18 F3 108.1(4) . . ? F1 C18 F3 108.0(4) . . ? F2 C18 S1 111.0(4) . . ? F1 C18 S1 111.2(3) . . ? F3 C18 S1 110.2(3) . . ? C21 C19 C22 110.2(3) . . ? C21 C19 C20 110.5(3) . . ? C22 C19 C20 110.3(3) . . ? C21 C19 Ge2 110.9(2) . . ? C22 C19 Ge2 108.1(3) . . ? C20 C19 Ge2 106.7(3) . . ? C24 C23 C25 110.3(4) . . ? C24 C23 C26 109.8(3) . . ? C25 C23 C26 111.1(3) . . ? C24 C23 Ge3 109.7(3) . . ? C25 C23 Ge3 107.5(2) . . ? C26 C23 Ge3 108.3(3) . . ? O101 C101 Mn1 176.9(4) . . ? O102 C102 Mn1 173.5(4) . . ? O103 C103 Mn1 178.1(4) . . ? O104 C104 Mn1 179.2(4) . . ? O201 C201 Mn2 179.3(3) . . ? O202 C202 Mn2 176.3(4) . . ? O203 C203 Mn2 177.6(4) . . ? O204 C204 Mn2 179.6(4) . . ? O301 C301 Mn3 178.6(4) . . ? O302 C302 Mn3 174.9(4) . . ? O303 C303 Mn3 174.1(4) . . ? O304 C304 Mn3 178.1(5) . . ? N2 Ge1 N1 66.59(14) . . ? N2 Ge1 C14 106.3(2) . . ? N1 Ge1 C14 106.7(2) . . ? N2 Ge1 C4 33.43(14) . . ? N1 Ge1 C4 33.17(14) . . ? C14 Ge1 C4 110.5(2) . . ? N2 Ge1 Mn1 116.40(9) . . ? N1 Ge1 Mn1 115.51(10) . . ? C14 Ge1 Mn1 128.57(18) . . ? C4 Ge1 Mn1 120.94(9) . . ? O5 Ge2 O6 94.62(10) . . ? O5 Ge2 C19 105.37(12) . . ? O6 Ge2 C19 104.08(13) . . ? O5 Ge2 Mn2 99.32(8) . . ? O6 Ge2 Mn2 112.92(8) . . ? C19 Ge2 Mn2 133.20(11) . . ? O5 Ge2 Ge3 36.14(7) . . ? O6 Ge2 Ge3 73.30(8) . . ? C19 Ge2 Ge3 138.20(10) . . ? Mn2 Ge2 Ge3 81.283(19) . . ? O5 Ge3 O4 93.82(10) . . ? O5 Ge3 C23 109.78(13) . . ? O4 Ge3 C23 103.28(14) . . ? O5 Ge3 Mn3 100.70(8) . . ? O4 Ge3 Mn3 113.71(8) . . ? C23 Ge3 Mn3 129.75(11) . . ? O5 Ge3 Ge2 36.26(7) . . ? O4 Ge3 Ge2 73.57(8) . . ? C23 Ge3 Ge2 142.99(11) . . ? Mn3 Ge3 Ge2 81.78(2) . . ? C101 Mn1 C102 88.61(19) . . ? C101 Mn1 C103 92.7(2) . . ? C102 Mn1 C103 91.00(17) . . ? C101 Mn1 C104 90.8(2) . . ? C102 Mn1 C104 95.23(18) . . ? C103 Mn1 C104 172.93(17) . . ? C101 Mn1 O1 175.22(16) . . ? C102 Mn1 O1 94.68(15) . . ? C103 Mn1 O1 90.68(15) . . ? C104 Mn1 O1 85.50(15) . . ? C101 Mn1 Ge1 89.84(14) . . ? C102 Mn1 Ge1 172.94(14) . . ? C103 Mn1 Ge1 82.19(11) . . ? C104 Mn1 Ge1 91.67(12) . . ? O1 Mn1 Ge1 87.31(7) . . ? C204 Mn2 C202 89.58(16) . . ? C204 Mn2 C203 93.34(17) . . ? C202 Mn2 C203 93.25(17) . . ? C204 Mn2 C201 91.12(16) . . ? C202 Mn2 C201 172.88(17) . . ? C203 Mn2 C201 93.77(16) . . ? C204 Mn2 O4 174.76(14) . . ? C202 Mn2 O4 92.10(14) . . ? C203 Mn2 O4 91.53(14) . . ? C201 Mn2 O4 86.60(13) . . ? C204 Mn2 Ge2 93.40(12) . . ? C202 Mn2 Ge2 88.55(13) . . ? C203 Mn2 Ge2 173.04(13) . . ? C201 Mn2 Ge2 84.35(11) . . ? O4 Mn2 Ge2 81.68(7) . . ? C304 Mn3 C303 92.38(19) . . ? C304 Mn3 C302 88.8(2) . . ? C303 Mn3 C302 93.1(2) . . ? C304 Mn3 C301 90.5(2) . . ? C303 Mn3 C301 92.9(2) . . ? C302 Mn3 C301 174.04(19) . . ? C304 Mn3 O6 171.15(15) . . ? C303 Mn3 O6 96.46(15) . . ? C302 Mn3 O6 91.26(14) . . ? C301 Mn3 O6 88.51(15) . . ? C304 Mn3 Ge3 89.55(13) . . ? C303 Mn3 Ge3 175.60(17) . . ? C302 Mn3 Ge3 90.94(13) . . ? C301 Mn3 Ge3 83.13(13) . . ? O6 Mn3 Ge3 81.60(7) . . ? C4 N1 C3 126.0(4) . . ? C4 N1 Ge1 91.8(3) . . ? C3 N1 Ge1 142.0(3) . . ? C4 N2 C11A 124.4(12) . . ? C4 N2 C11 125.3(5) . . ? C4 N2 Ge1 91.5(2) . . ? C11A N2 Ge1 144.1(12) . . ? C11 N2 Ge1 142.9(4) . . ? O3 S1 O2 117.5(2) . . ? O3 S1 O1 111.91(19) . . ? O2 S1 O1 114.46(18) . . ? O3 S1 C18 104.4(2) . . ? O2 S1 C18 105.2(2) . . ? O1 S1 C18 101.07(19) . . ? S1 O1 Mn1 130.62(17) . . ? Ge3 O4 Mn2 123.36(13) . . ? Ge3 O5 Ge2 107.60(11) . . ? Ge2 O6 Mn3 123.15(13) . . ? N1 C3 C1 111.1(4) . . ? N1 C3 C2 110.5(5) . . ? C1 C3 C2 112.8(5) . . ? _refine_diff_density_max 0.486 _refine_diff_density_min -0.856 _refine_diff_density_rms 0.068 _shelxl_version_number 2014-3 _shelx_res_file ; TITL xn14_016_dp538 in P 21/n CELL 1.54180 22.1574 9.5888 25.3889 90.000 96.572 90.000 ZERR 4.00 0.0003 0.0002 0.0004 0.000 0.015 0.000 LATT 1 SYMM 1/2 - X, 1/2 + Y, 1/2 - Z SFAC C H F GE MN N S O UNIT 152 192 12 12 12 8 4 72 MERG 2 OMIT -3.00 140.00 DFIX 0.820 0.020 O4 H400 O6 H600 DFIX 1.470 0.010 N2 C11 DFIX 1.470 0.010 N2 C11A DFIX 1.510 0.010 C11 C13 DFIX 1.510 0.010 C11 C12 DFIX 1.510 0.010 C11A C13A DFIX 1.510 0.010 C11A C12A SIMU 0.040 0.080 1.700 C12 C13 C13A C12A SIMU 0.040 0.080 1.700 C11 C11A FMAP 2 PLAN 25 ACTA 140.00 L.S. 32 WGHT 0.039300 1.273100 FVAR 1.46857 0.74325 -1.95622 C4 1 0.341626 0.990584 0.536350 11.00000 0.04409 0.04391 = 0.05431 -0.00007 -0.01541 0.00109 C5 1 0.343022 1.104652 0.497343 11.00000 0.06327 0.03932 = 0.05054 -0.00285 -0.01205 0.00823 C6 1 0.290329 1.136567 0.464429 11.00000 0.07203 0.05010 = 0.05815 -0.00863 -0.02154 0.01429 AFIX 43 H6 2 0.254363 1.089852 0.468465 11.00000 -1.20000 AFIX 0 C7 1 0.291280 1.236671 0.426071 11.00000 0.10127 0.04860 = 0.05969 -0.00476 -0.01899 0.02263 AFIX 43 H7 2 0.255928 1.257266 0.404050 11.00000 -1.20000 AFIX 0 C8 1 0.343452 1.306153 0.419923 11.00000 0.12670 0.05311 = 0.05044 0.00538 0.00107 0.03548 AFIX 43 H8 2 0.343921 1.371902 0.393045 11.00000 -1.20000 AFIX 0 C9 1 0.396528 1.279191 0.453887 11.00000 0.09963 0.06513 = 0.08866 0.02029 0.02118 0.00699 AFIX 43 H9 2 0.431909 1.328964 0.450530 11.00000 -1.20000 AFIX 0 C10 1 0.395683 1.177209 0.492645 11.00000 0.07231 0.05856 = 0.07124 0.01733 -0.00379 0.00930 AFIX 43 H10 2 0.430654 1.158027 0.515374 11.00000 -1.20000 AFIX 0 PART 1 C11 1 0.334251 1.141354 0.615130 21.00000 0.08784 0.05081 = 0.06379 0.00839 0.00367 0.01565 AFIX 13 H11 2 0.323326 1.213384 0.588345 21.00000 -1.20000 AFIX 0 C12 1 0.396026 1.176631 0.642752 21.00000 0.10818 0.04344 = 0.08288 -0.01124 -0.01853 -0.00160 AFIX 137 H12A 2 0.409017 1.104367 0.667671 21.00000 -1.50000 H12B 2 0.394069 1.263664 0.661167 21.00000 -1.50000 H12C 2 0.424441 1.184388 0.617054 21.00000 -1.50000 AFIX 0 C13 1 0.285755 1.139720 0.652338 21.00000 0.13074 0.11423 = 0.10547 -0.01097 0.04174 0.03535 AFIX 137 H13A 2 0.285480 1.227659 0.670383 21.00000 -1.50000 H13B 2 0.294122 1.066319 0.677844 21.00000 -1.50000 H13C 2 0.246829 1.124144 0.632445 21.00000 -1.50000 AFIX 0 PART 2 C11A 1 0.329203 1.141904 0.613322 -21.00000 0.06688 0.08529 = 0.08573 -0.05845 -0.00784 0.03395 AFIX 13 H11A 2 0.352461 1.209334 0.594793 -21.00000 -1.20000 AFIX 0 C13A 1 0.264167 1.192255 0.606439 -21.00000 0.12339 0.07894 = 0.09315 0.00002 0.01397 0.05661 AFIX 137 H13D 2 0.238769 1.124742 0.621070 -21.00000 -1.50000 H13E 2 0.250888 1.204378 0.569388 -21.00000 -1.50000 H13F 2 0.261517 1.279639 0.624485 -21.00000 -1.50000 AFIX 0 C12A 1 0.357503 1.140741 0.670153 -21.00000 0.17625 0.04588 = 0.07561 -0.02682 -0.00902 0.00348 AFIX 137 H12D 2 0.337343 1.072787 0.689716 -21.00000 -1.50000 H12E 2 0.353423 1.231301 0.685475 -21.00000 -1.50000 H12F 2 0.399784 1.117394 0.671495 -21.00000 -1.50000 AFIX 0 PART 0 C14 1 0.256185 0.739151 0.603854 11.00000 0.04212 0.10018 = 0.13566 0.03106 -0.00617 -0.01635 C15 1 0.253610 0.582364 0.591147 11.00000 0.08589 0.10230 = 0.16555 0.04311 -0.03775 -0.05828 AFIX 137 H15A 2 0.282035 0.533550 0.615952 11.00000 -1.50000 H15B 2 0.263837 0.567579 0.555838 11.00000 -1.50000 H15C 2 0.213349 0.548055 0.593716 11.00000 -1.50000 AFIX 0 C16 1 0.243459 0.764832 0.660745 11.00000 0.05676 0.14879 = 0.18410 0.05244 0.04181 -0.00332 AFIX 137 H16A 2 0.243840 0.863283 0.667645 11.00000 -1.50000 H16B 2 0.274161 0.720073 0.684680 11.00000 -1.50000 H16C 2 0.204356 0.727328 0.665770 11.00000 -1.50000 AFIX 0 C17 1 0.212525 0.820506 0.563516 11.00000 0.04218 0.14423 = 0.20999 0.05898 -0.03093 -0.01477 AFIX 137 H17A 2 0.171425 0.793902 0.567093 11.00000 -1.50000 H17B 2 0.221521 0.799671 0.528262 11.00000 -1.50000 H17C 2 0.217385 0.918715 0.570019 11.00000 -1.50000 AFIX 0 C18 1 0.381181 0.882359 0.797257 11.00000 0.06328 0.06742 = 0.06483 0.00650 0.00902 -0.00228 C19 1 0.180339 -0.094839 0.329117 11.00000 0.04227 0.03631 = 0.04280 -0.00099 0.00228 0.00480 C20 1 0.243553 -0.040124 0.321654 11.00000 0.04513 0.04780 = 0.05798 -0.01064 0.00637 0.00664 AFIX 137 H20A 2 0.272456 -0.114849 0.326846 11.00000 -1.50000 H20B 2 0.254628 0.032402 0.346994 11.00000 -1.50000 H20C 2 0.243299 -0.003540 0.286432 11.00000 -1.50000 AFIX 0 C21 1 0.161351 -0.208750 0.288917 11.00000 0.05561 0.03983 = 0.06147 -0.01365 -0.00336 0.00752 AFIX 137 H21A 2 0.161671 -0.172437 0.253713 11.00000 -1.50000 H21B 2 0.121165 -0.240245 0.293524 11.00000 -1.50000 H21C 2 0.189233 -0.285463 0.294141 11.00000 -1.50000 AFIX 0 C22 1 0.179389 -0.150231 0.385286 11.00000 0.06707 0.04470 = 0.05224 0.00740 0.00083 0.00432 AFIX 137 H22A 2 0.139491 -0.184444 0.389438 11.00000 -1.50000 H22B 2 0.189775 -0.076486 0.410260 11.00000 -1.50000 H22C 2 0.208303 -0.224652 0.391539 11.00000 -1.50000 AFIX 0 C23 1 0.095958 0.430837 0.434274 11.00000 0.05093 0.04124 = 0.04712 -0.01148 0.00569 -0.00326 C24 1 0.158132 0.486362 0.425535 11.00000 0.05722 0.05335 = 0.07421 -0.01706 0.01031 -0.01526 AFIX 137 H24A 2 0.157595 0.516557 0.389433 11.00000 -1.50000 H24B 2 0.187866 0.413985 0.432744 11.00000 -1.50000 H24C 2 0.168288 0.563687 0.448895 11.00000 -1.50000 AFIX 0 C25 1 0.048026 0.544107 0.422862 11.00000 0.06865 0.05438 = 0.06666 -0.02340 0.00626 0.00933 AFIX 137 H25A 2 0.057730 0.621725 0.446183 11.00000 -1.50000 H25B 2 0.008922 0.507620 0.428469 11.00000 -1.50000 H25C 2 0.047221 0.574349 0.386743 11.00000 -1.50000 AFIX 0 C26 1 0.097177 0.376292 0.491043 11.00000 0.08233 0.05766 = 0.04772 -0.01344 0.00576 -0.00843 AFIX 137 H26A 2 0.107711 0.450920 0.515588 11.00000 -1.50000 H26B 2 0.126766 0.303139 0.496886 11.00000 -1.50000 H26C 2 0.057818 0.340606 0.496260 11.00000 -1.50000 AFIX 0 C101 1 0.440591 0.593851 0.594358 11.00000 0.05648 0.05054 = 0.06566 0.00029 -0.00465 -0.00350 C102 1 0.510762 0.661687 0.676156 11.00000 0.05595 0.04291 = 0.05718 0.00481 -0.00149 -0.00223 C103 1 0.467686 0.858874 0.609595 11.00000 0.04030 0.04942 = 0.05352 0.00077 -0.00683 0.00245 C104 1 0.392337 0.585256 0.682976 11.00000 0.05158 0.03707 = 0.07269 -0.00379 -0.00079 0.00260 C201 1 0.187468 0.312705 0.286918 11.00000 0.05100 0.04262 = 0.03339 0.00714 0.00865 -0.00162 C202 1 0.037801 0.182424 0.230024 11.00000 0.04773 0.04573 = 0.05133 -0.00761 0.00499 0.00284 C203 1 0.100695 0.413654 0.213209 11.00000 0.04860 0.04856 = 0.04616 0.00247 0.00244 0.00166 C204 1 0.146003 0.160431 0.206361 11.00000 0.04608 0.04336 = 0.03707 0.00296 0.00313 -0.00446 C301 1 0.047153 0.032619 0.444396 11.00000 0.06968 0.05455 = 0.05321 -0.00830 0.02626 -0.01765 C302 1 -0.050070 0.180565 0.330061 11.00000 0.04432 0.05331 = 0.07750 -0.02109 0.01986 -0.00544 C303 1 -0.059208 -0.043980 0.391275 11.00000 0.07058 0.06756 = 0.06149 -0.02007 0.03059 -0.02777 C304 1 -0.041578 0.206652 0.429684 11.00000 0.05289 0.06987 = 0.06515 -0.02731 0.02789 -0.02274 F1 3 0.348144 0.989507 0.777864 11.00000 0.07912 0.08601 = 0.09425 0.01084 0.02061 0.02924 F2 3 0.346823 0.770887 0.793380 11.00000 0.07445 0.09495 = 0.10951 0.01418 0.02518 -0.02250 F3 3 0.397886 0.906403 0.848326 11.00000 0.10726 0.10633 = 0.06002 -0.00414 0.02272 0.01089 GE1 4 0.340765 0.803433 0.599201 11.00000 0.03778 0.04739 = 0.06120 0.00488 -0.00835 -0.00458 GE2 4 0.124296 0.066424 0.319596 11.00000 0.03467 0.03240 = 0.03484 -0.00049 0.00927 -0.00038 GE3 4 0.073721 0.274797 0.384911 11.00000 0.03713 0.03776 = 0.04044 -0.00881 0.01123 -0.00458 MN1 5 0.434473 0.715920 0.646194 11.00000 0.03963 0.03729 = 0.05091 0.00146 -0.00488 -0.00126 MN2 5 0.111936 0.256004 0.255251 11.00000 0.03601 0.03529 = 0.03397 0.00011 0.00450 -0.00037 MN3 5 -0.004296 0.098965 0.387103 11.00000 0.04428 0.04933 = 0.04990 -0.01421 0.02068 -0.01321 N1 6 0.344993 0.857310 0.524796 11.00000 0.06339 0.04185 = 0.05268 -0.00231 -0.01801 -0.00379 N2 6 0.336046 1.006472 0.587385 11.00000 0.05061 0.04383 = 0.05674 0.00092 -0.00312 0.00605 S1 7 0.447808 0.858490 0.762440 11.00000 0.04885 0.05017 = 0.04952 -0.00022 0.00064 -0.00263 O1 8 0.420003 0.852872 0.707457 11.00000 0.06248 0.04297 = 0.05062 -0.00091 -0.00589 0.00629 O2 8 0.474229 0.730726 0.782039 11.00000 0.07337 0.07674 = 0.05523 0.01167 -0.00177 0.02174 O3 8 0.482191 0.982342 0.773226 11.00000 0.07244 0.07983 = 0.07585 -0.01488 0.00501 -0.03021 O4 8 0.075789 0.356044 0.318000 11.00000 0.04119 0.03782 = 0.04395 -0.00211 0.00659 0.00453 O5 8 0.139057 0.167179 0.379544 11.00000 0.03701 0.03815 = 0.03491 -0.00472 0.00742 -0.00503 O6 8 0.050089 -0.004434 0.336472 11.00000 0.04299 0.03882 = 0.04436 -0.01096 0.01275 -0.01117 O101 8 0.446404 0.511265 0.562209 11.00000 0.09995 0.06554 = 0.07605 -0.01965 -0.00427 0.01635 O102 8 0.559127 0.625991 0.689854 11.00000 0.04731 0.06728 = 0.08382 0.01208 -0.00861 0.01000 O103 8 0.487410 0.944092 0.585996 11.00000 0.05298 0.06207 = 0.07911 0.02101 0.00189 -0.00814 O104 8 0.367196 0.507375 0.705688 11.00000 0.07095 0.04370 = 0.10498 0.01482 0.01695 -0.00671 O201 8 0.233966 0.348905 0.306085 11.00000 0.04809 0.07336 = 0.04624 0.01169 -0.00217 -0.02031 O202 8 -0.007011 0.134238 0.211964 11.00000 0.05071 0.06930 = 0.09497 -0.02441 -0.00638 -0.00647 O203 8 0.094332 0.507393 0.186026 11.00000 0.08576 0.06124 = 0.06864 0.02905 0.00235 0.00799 O204 8 0.168532 0.098466 0.174664 11.00000 0.07168 0.05992 = 0.04961 -0.00979 0.02359 0.00072 O301 8 0.078476 -0.006016 0.480236 11.00000 0.09989 0.09433 = 0.05048 0.01135 0.01466 -0.01030 O302 8 -0.081645 0.232788 0.297236 11.00000 0.05788 0.07705 = 0.09643 -0.00543 0.00373 0.00759 O303 8 -0.094879 -0.125358 0.397154 11.00000 0.10496 0.09535 = 0.09569 -0.03044 0.05140 -0.06129 O304 8 -0.065992 0.280458 0.456666 11.00000 0.06662 0.09716 = 0.10087 -0.05362 0.04135 -0.01871 C3 1 0.353452 0.798770 0.472606 11.00000 0.10233 0.04688 = 0.05392 -0.00653 -0.02470 0.01026 AFIX 13 H3 2 0.332586 0.860608 0.445678 11.00000 -1.20000 AFIX 0 C2 1 0.323861 0.657132 0.465668 11.00000 0.13520 0.05150 = 0.07624 -0.00999 -0.04009 0.00061 AFIX 137 H2A 2 0.342749 0.594413 0.492059 11.00000 -1.50000 H2B 2 0.328613 0.621728 0.431015 11.00000 -1.50000 H2C 2 0.281403 0.665186 0.469519 11.00000 -1.50000 AFIX 0 C1 1 0.419548 0.796511 0.464202 11.00000 0.12728 0.07532 = 0.06435 -0.00549 0.01204 0.01210 AFIX 137 H1A 2 0.436287 0.888443 0.469560 11.00000 -1.50000 H1B 2 0.423539 0.766428 0.428702 11.00000 -1.50000 H1C 2 0.441003 0.733219 0.488979 11.00000 -1.50000 AFIX 0 H400 2 0.049465 0.409274 0.306578 11.00000 0.05419 H600 2 0.035194 -0.067938 0.320703 11.00000 0.03587 HKLF 4 REM xn14_016_dp538 in P 21/n REM R1 = 0.0380 for 7876 Fo > 4sig(Fo) and 0.0532 for all 9836 data REM 665 parameters refined using 32 restraints END WGHT 0.0390 1.3178 REM Highest difference peak 0.486, deepest hole -0.856, 1-sigma level 0.068 Q1 1 -0.0207 0.1594 0.3620 11.00000 0.05 0.49 Q2 1 0.0563 0.3279 0.3630 11.00000 0.05 0.44 Q3 1 0.1622 -0.0187 0.3233 11.00000 0.05 0.41 Q4 1 0.0455 0.1844 0.3776 11.00000 0.05 0.37 Q5 1 0.1042 0.1336 0.2998 11.00000 0.05 0.36 Q6 1 0.1794 0.2544 0.2669 11.00000 0.05 0.35 Q7 1 0.4858 0.7450 0.6528 11.00000 0.05 0.34 Q8 1 0.1124 0.2628 0.3809 11.00000 0.05 0.34 Q9 1 0.3212 0.8980 0.6232 11.00000 0.05 0.33 Q10 1 -0.0109 0.3011 0.3592 11.00000 0.05 0.30 Q11 1 0.0255 0.0259 0.3080 11.00000 0.05 0.30 Q12 1 0.4014 0.7787 0.6085 11.00000 0.05 0.29 Q13 1 0.0574 0.0547 0.3199 11.00000 0.05 0.29 Q14 1 0.3979 0.8082 0.6429 11.00000 0.05 0.28 Q15 1 0.3796 1.3298 0.4306 11.00000 0.05 0.27 Q16 1 0.0686 0.1812 0.2595 11.00000 0.05 0.27 Q17 1 0.3714 0.7201 0.6264 11.00000 0.05 0.27 Q18 1 0.4544 0.6248 0.6682 11.00000 0.05 0.26 Q19 1 0.3457 0.7795 0.6321 11.00000 0.05 0.26 Q20 1 0.1064 0.1515 0.3597 11.00000 0.05 0.26 Q21 1 -0.0846 0.3338 0.4279 11.00000 0.05 0.25 Q22 1 0.0770 0.4991 0.4219 11.00000 0.05 0.25 Q23 1 0.0792 0.3769 0.4098 11.00000 0.05 0.25 Q24 1 0.0370 0.1266 0.4290 11.00000 0.05 0.25 Q25 1 -0.0238 0.0162 0.3945 11.00000 0.05 0.24 ; _shelx_res_checksum 50107 _shelx_hkl_file ; 0 0 2 138524. 1016.79 2 0 0 2 136185. 1003.39 1 0 0 3 57.8759 43.6573 2 0 0 3 21.5599 40.0995 1 0 0 4 93459.6 1186.46 1 0 0 4 93243.4 1193.26 2 0 0 5 60.4117 57.3873 2 0 0 5-41.2672 54.0106 1 0 0 6 18936.6 666.970 2 0 0 6 18874.7 662.512 1 0 0 7 109.688 106.632 1 0 0 7 50.7940 89.0914 2 0 0 8 5809.92 437.922 1 0 0 9 259.578 154.091 1 0 0 10 137105. 2380.06 1 0 0 11-4.59318 90.3152 1 0 0 12 145.850 139.874 1 0 0 13 56.6478 135.183 1 0 0 14 103003. 2531.92 1 0 0 15 78.6164 112.651 5 0 0 15 17.6101 110.806 6 0 0 15-109.679 110.129 1 0 0 16 3841.97 348.877 6 0 0 16 3094.66 344.675 5 0 0 17 194.205 161.058 6 0 0 17-136.236 162.205 1 0 0 17 134.008 137.748 5 0 0 18 7302.15 494.994 6 0 0 19-67.7319 122.587 6 0 0 20 460.628 190.170 6 0 0 21 224.103 161.709 6 0 0 22 3491.37 386.641 6 0 0 -23 34.4454 98.1543 7 0 0 23 291.407 173.550 6 0 0 -24 1416.94 187.002 7 0 0 24 1337.45 259.210 6 0 0 -25 87.7043 100.945 7 0 0 25 172.412 160.935 6 0 0 26 12.0888 132.009 6 0 0 27-13.7469 129.931 6 0 0 28 9929.58 504.960 6 0 0 29 24.5642 82.7398 6 0 0 29-312.090 143.762 11 0 0 30 3965.28 251.244 6 0 0 30 3274.79 248.933 11 0 1 1 84658.1 909.138 2 0 -1 1 83755.6 671.105 3 0 1 2 543174. 2399.13 2 0 1 3 5853.73 273.976 2 0 1 4 51760.7 901.659 2 0 1 5 20783.7 634.852 2 0 1 6 71686.6 1281.60 2 0 -1 7 67409.8 1343.43 1 0 1 7 64912.2 1461.10 1 0 1 7 67613.2 1345.29 2 0 1 8 4344.29 417.350 1 0 1 8 3647.53 341.171 2 0 -1 8 3571.48 351.549 1 0 1 9 348.712 148.122 2 0 -1 9 136.127 93.7393 1 0 1 9 405.321 186.218 1 0 -1 10 3799.49 406.907 1 0 1 10 4045.50 432.873 1 0 1 10 4079.22 400.334 2 0 1 11 53643.6 1516.83 2 0 -1 11 54996.1 1616.24 1 0 1 11 56198.5 1692.60 1 0 1 12 55841.3 1769.22 1 0 1 12 55430.4 1620.68 2 0 1 13 48988.8 1734.43 1 0 1 14 5097.33 597.830 1 0 1 14 5763.21 369.284 6 0 -1 14 6495.47 434.382 5 0 1 15 19757.5 1193.57 1 0 -1 15 20794.1 733.415 6 0 1 15 20149.6 714.466 6 0 -1 15 21007.6 806.320 5 0 1 16 10803.4 931.569 1 0 1 16 10850.8 552.564 6 0 -1 16 10875.4 560.665 6 0 -1 16 11904.2 634.915 5 0 -1 17 5094.11 436.251 5 0 1 17 5689.94 418.242 6 0 -1 17 5046.02 404.089 6 0 1 17 4885.14 645.689 1 0 1 18 2489.72 491.035 1 0 -1 18 2463.50 324.431 5 0 -1 18 2511.98 303.597 6 0 1 18 2775.03 313.630 6 0 1 19-27.6382 134.866 6 0 -1 19-28.7792 129.248 5 0 1 19 121.400 184.677 1 0 -1 19 116.316 129.921 6 0 -1 20 117.365 155.683 5 0 -1 20 262.783 172.000 6 0 1 20-84.5191 140.047 6 0 1 20 115.909 179.528 1 0 -1 21 1009.88 250.608 6 0 1 21 912.673 241.922 6 0 -1 22 5761.74 481.501 6 0 1 22 6185.64 498.976 6 0 -1 23 1116.50 257.974 6 0 1 23 1356.50 271.647 6 0 1 24 1239.81 258.886 6 0 1 -24 1173.31 188.322 7 0 -1 24 1165.57 267.605 6 0 -1 25 2517.18 314.907 6 0 1 -25 2321.64 222.865 7 0 1 25 2426.03 311.671 6 0 1 26 793.763 190.225 6 0 -1 26 706.950 190.260 6 0 1 -26 1073.29 163.698 7 0 -1 27 655.774 170.174 6 0 1 -27 702.923 123.950 7 0 1 27 859.593 188.110 6 0 -1 28 1490.73 213.520 6 0 1 28 1121.95 180.923 6 0 -1 28 1090.91 189.417 11 0 -1 29 60.0196 81.8219 6 0 1 29 55.4379 94.3490 11 0 1 29 85.3622 81.2650 6 0 -1 29 117.055 74.7647 11 0 1 30 956.337 158.255 11 0 -2 0 152508. 1431.22 3 0 -2 1 21262.3 507.954 3 0 2 2 5797.98 347.614 2 0 2 3 2353.91 222.461 2 0 2 4 4128.93 297.092 2 0 2 5 18590.0 665.419 2 0 2 6 50267.7 1137.45 2 0 2 7 5339.48 395.638 2 0 2 8 168735. 2325.14 2 0 2 9 141.524 99.7452 2 0 2 9 93.5913 117.857 1 0 2 10 1785.10 284.913 2 0 2 10 1702.12 314.723 1 0 2 11 5981.57 604.632 1 0 2 11 5110.96 476.869 2 0 2 12 18149.6 924.976 2 0 2 12 19226.6 1106.26 1 0 2 13 7208.56 609.384 2 0 2 13 7523.46 734.588 1 0 2 14 1031.81 174.675 6 0 2 14 1046.99 265.271 2 0 2 14 1176.16 311.620 1 0 -2 14 1157.16 202.607 5 0 -2 14 875.769 187.462 6 0 2 15 2337.73 264.984 6 0 -2 15 2240.52 308.986 5 0 -2 15 2158.56 261.738 6 0 2 15 2665.71 480.658 1 0 2 16 1103.05 348.374 1 0 -2 16 829.754 178.366 6 0 -2 16 1146.06 228.703 5 0 2 16 1126.05 207.405 6 0 -2 17 1242.02 256.689 5 0 2 17 1506.87 376.416 1 0 2 17 1422.69 220.903 6 0 -2 17 1698.02 255.273 6 0 -2 18 1104.25 242.198 5 0 2 18 922.837 327.665 1 0 -2 18 914.103 205.730 6 0 2 18 1208.79 226.469 6 0 2 19 1154.11 366.082 1 0 2 19 1132.90 220.348 6 0 -2 19 876.569 212.056 6 0 -2 19 894.805 253.785 5 0 2 20 20194.1 854.859 6 0 -2 20 18406.6 924.270 5 0 2 20 20229.9 1431.20 1 0 -2 20 18962.9 830.605 6 0 -2 21 116.278 150.375 6 0 2 21 519.902 279.101 1 0 -2 21 166.279 181.397 5 0 2 21 64.0567 139.286 6 0 2 22 10167.1 620.256 6 0 -2 22 10485.1 636.209 6 0 -2 22 9440.02 691.904 5 0 2 23 30.8217 144.740 6 0 -2 23 39.2071 141.273 6 0 2 24 792.834 217.323 6 0 -2 24 808.121 214.303 6 0 -2 25 168.331 146.345 6 0 2 -25 216.978 121.101 7 0 2 25 292.386 179.462 6 0 2 26 173.423 141.193 6 0 -2 26 303.722 143.671 6 0 2 -26 319.346 118.189 7 0 2 -27 133.437 96.7607 7 0 2 27 43.8129 112.048 6 0 -2 27 30.1660 109.089 6 0 2 -28 226.249 90.8862 7 0 -2 28 222.683 98.7749 6 0 2 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32.8313 142.080 2 0 -7 -2 68.4777 122.243 8 0 -7 3 1383.44 230.125 4 0 7 -3 1401.15 398.804 2 0 -7 -3 1069.05 237.210 8 0 -7 4 1082.48 213.118 4 0 7 -4 725.139 297.370 2 0 -7 -4 880.373 227.904 8 0 -7 5 19303.1 795.293 4 0 -7 -5 19672.3 929.087 8 0 -7 -6 3065.71 386.815 8 0 -7 -6 2965.55 506.782 3 0 -7 6 3086.44 346.733 4 0 -7 -7 27913.7 1614.46 3 0 -7 7 24887.6 947.776 4 0 -7 -7 27090.0 1092.07 8 0 7 8 90.8286 259.986 1 0 -7 8 243.563 133.636 4 0 -7 -8 192.316 157.232 8 0 -7 -8 586.027 285.148 3 0 7 9 486.104 272.312 1 0 -7 -9 338.032 204.361 8 0 -7 9 914.778 255.159 4 0 -7 -9 728.653 304.423 3 0 -7 10 9779.50 639.257 4 0 7 10 8110.30 929.048 1 0 -7 -10 10813.6 1121.93 3 0 -7 -10 9175.28 658.872 8 0 -7 11 15248.8 819.759 4 0 -7 -11 16291.4 1408.02 3 0 -7 -11 16837.6 895.404 8 0 7 11 15643.8 1297.99 1 0 7 12-165.582 274.924 1 0 -7 12 122.441 169.985 4 0 -7 -12 41.4442 132.553 8 0 -7 -12 482.900 281.195 3 0 -7 13-62.9747 148.562 4 0 -7 -13-305.278 257.921 3 0 -7 -13 288.157 194.845 8 0 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398.933 4 0 -8 -7 899.396 271.833 8 0 8 -7 1086.41 370.747 2 0 -8 7 992.411 234.453 4 0 -8 8 9125.04 624.055 4 0 -8 -8 8037.17 678.695 8 0 -8 -9 10813.3 775.794 8 0 -8 9 11085.0 692.846 4 0 -8 10 2656.92 364.255 4 0 -8 -10 2580.40 395.384 8 0 -8 11 389.958 206.723 4 0 -8 -11 230.811 205.144 8 0 -8 12 708.784 236.232 4 0 -8 -12 681.140 245.461 8 0 -8 13 1363.66 275.526 4 0 -8 -13 2405.44 370.408 8 0 -8 14 269.417 181.006 5 0 -8 -14-221.109 177.785 8 0 -8 14-190.886 207.110 4 0 -8 15 228.181 159.376 5 0 -8 15 154.015 151.273 4 0 -8 -15 565.839 212.255 8 0 -8 16 714.038 238.556 5 0 -8 -16 412.773 181.233 8 0 -8 17 247.652 179.447 5 0 -8 -17-120.440 121.805 8 0 8 -18 24.5987 63.5722 7 0 -8 18 148.516 130.554 5 0 -8 19 404.100 161.144 5 0 8 -19 358.999 87.5715 7 0 -8 20 936.026 184.133 5 0 8 -20 420.560 85.0418 7 0 -8 21 76.4595 106.119 5 0 -8 22 4442.36 300.375 5 0 -9 0 14.0571 136.419 4 0 -9 -1 2993.30 346.864 4 0 -9 1 3239.24 374.384 4 0 -9 -2 6284.45 491.598 4 0 -9 2 5790.52 481.923 4 0 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109.593 7 -1 -7 -18 311.730 182.462 8 1 -7 18 322.141 171.290 5 -1 -7 -19 327.295 162.357 8 1 -7 19 62.6234 143.397 5 -1 7 -19-57.2413 87.2865 7 1 -7 20 1662.39 290.431 5 -1 -7 -20 2252.85 295.930 8 1 -7 21 649.944 185.436 5 -1 -7 -21 699.207 176.537 8 -1 7 -21 479.043 111.383 7 1 -7 22 2275.51 276.463 5 -1 7 -22 1777.73 173.974 7 -1 7 -23 105.640 76.0372 7 1 -7 23-136.168 103.605 5 1 -7 24 566.017 121.646 5 -1 -8 22 1539.02 194.597 5 -1 -8 21 934.682 180.517 5 1 8 -20 408.927 90.0039 7 -1 -8 20 343.987 139.455 5 1 8 -19 1485.83 148.333 7 -1 -8 19 2134.05 293.195 5 1 8 -18 3195.70 217.534 7 -1 -8 18 4166.39 416.716 5 -1 -8 17-42.4857 150.682 5 1 8 -17-38.4762 83.7596 7 1 -8 -17-39.2588 133.811 8 1 -8 -16 3679.13 392.972 8 -1 -8 16 3750.59 446.062 5 -1 -8 16 3763.57 415.534 4 -1 -8 15 2009.96 343.341 5 -1 -8 15 1964.05 331.947 4 1 -8 -15 1762.60 291.177 8 1 -8 -14 171.993 142.997 8 -1 -8 14 474.413 226.092 4 -1 -8 14 228.357 167.646 5 -1 -8 13-41.9189 175.676 4 1 -8 -13 171.101 150.409 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215.988 4 1 -10 -1 751.220 195.985 4 1 -10 0 1943.51 262.013 4 -1 -10 0 2202.17 299.006 4 -1 -10 -1 4725.47 418.392 4 1 -10 1 4687.48 404.822 4 -1 -10 -2 4469.38 402.953 4 1 -10 2 4645.65 394.414 4 1 -10 3 152.712 147.577 4 -1 -10 -3 414.505 197.675 4 -1 -10 -4 353.490 153.745 4 1 -10 4 349.899 159.069 4 1 -10 5 617.779 189.577 4 -1 -10 -5 408.929 159.097 4 -1 -10 -6 1341.91 246.370 4 1 -10 6 1378.74 242.407 4 -1 -10 -7 1588.83 245.801 4 1 -10 7 1882.66 266.487 4 1 -10 8 7.47010 124.854 4 -1 -10 -8 64.7807 130.367 4 1 -10 9 447.499 154.652 4 1 -10 10-11.6402 133.700 4 1 -10 11-23.1060 120.998 4 1 -10 11 98.3035 115.983 5 1 -10 12 4018.97 373.600 5 1 -10 13 3079.30 311.310 5 1 -10 14 393.850 128.988 5 1 -10 15 2141.85 232.260 5 -1 -11 9 214.993 109.057 5 -1 -11 8 809.819 173.551 5 -1 -11 7 140.672 95.8428 4 -1 -11 6 870.155 159.023 4 -1 -11 5 126.139 109.353 4 1 -11 -5-113.197 93.1673 4 -1 -11 4-44.0895 93.0333 4 1 -11 -4-8.56259 88.3831 4 1 -11 -3 2432.02 235.202 4 -1 -11 3 3081.67 289.779 4 -1 -11 2 164.495 106.546 4 1 -11 -2 203.032 108.893 4 -1 -11 1 5441.19 384.859 4 1 -11 -1 5622.32 359.717 4 -1 -11 0 2416.44 267.396 4 1 -11 0 2179.69 228.791 4 -1 -11 -1 506.736 138.762 4 1 -11 1 586.311 131.124 4 -1 -11 -2 251.535 134.919 4 1 -11 2-67.3836 93.4025 4 1 -11 3 187.186 102.622 4 -1 -11 -3 382.694 134.489 4 -1 -11 -4 177.530 108.199 4 -1 -11 -5 234.969 109.900 4 -1 -11 -6 1120.86 182.190 4 -1 -11 -7 456.152 119.567 4 1 -11 8 933.716 185.546 5 1 -11 9 222.517 100.907 5 -2 0 30 2812.56 237.818 11 -2 0 29 116.038 94.1778 6 -2 0 29 170.197 106.059 11 -2 0 28 88.4264 129.571 6 -2 0 28-112.321 109.954 11 -2 0 27 9.02247 109.344 6 -2 0 27 100.556 136.589 11 -2 0 26 10119.2 558.777 6 -2 0 25-27.3414 129.061 6 -2 0 24 2713.37 335.844 6 -2 0 23-70.4776 157.573 6 -2 0 22 12988.9 680.161 6 -2 0 21 227.649 179.516 6 -2 0 20 484.009 183.738 6 -2 0 19 34.4082 108.906 6 -2 0 18 145.365 122.437 6 -2 0 17-52.8873 127.792 5 -2 0 17-56.4154 94.0941 6 -2 0 16 34063.3 1052.23 5 -2 0 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183.226 1 2 0 15-8.69506 118.273 6 2 0 15 153.681 103.728 5 2 0 15 147.388 172.096 1 2 0 16 2364.37 293.949 5 2 0 16 2821.54 447.648 1 2 0 16 2401.42 289.473 6 2 0 17-30.7050 118.366 1 2 0 17 117.447 141.186 6 2 0 18 29352.8 1003.40 6 2 0 18 30321.7 1512.71 1 2 0 19 6.42132 128.832 6 -2 0 -20 238.138 123.388 7 2 0 20 177.113 150.312 6 2 0 21 30.3277 164.665 6 -2 0 -21 70.6266 117.300 7 -2 0 -22 411.113 140.117 7 2 0 22 154.542 166.315 6 -2 0 -23 246.153 125.520 7 2 0 23 208.692 169.631 6 2 0 24 469.322 203.157 6 -2 0 -24 275.333 125.502 7 2 0 25-189.581 159.424 6 -2 0 -25 142.491 112.189 7 2 0 26 50.3810 146.163 6 2 0 27-125.078 132.074 6 2 0 28 248.735 115.725 6 2 0 29 42.4487 89.8177 6 2 0 30-37.0631 65.6991 6 -2 1 30-62.9663 82.3634 11 -2 1 29 179.445 108.443 6 -2 -1 29 81.0731 72.3491 11 -2 -1 29 201.351 84.6812 6 -2 1 29 244.651 112.637 11 -2 -1 28 4625.64 355.075 11 -2 1 28 5038.62 418.947 11 -2 1 28 6254.96 398.899 6 -2 -1 28 5628.14 347.998 6 -2 -1 27 539.765 168.785 11 2 1 -27 849.086 133.354 7 -2 1 27 711.864 163.665 6 -2 -1 27 1053.10 195.495 6 -2 -1 26 1692.61 240.142 6 -2 1 26 1820.44 257.212 6 2 1 -26 1706.74 185.881 7 -2 -1 25 150.003 139.429 6 -2 1 25-8.36427 147.515 6 -2 -1 24 4609.13 404.131 6 -2 1 24 5250.03 446.307 6 -2 1 23 2316.32 308.454 6 -2 -1 23 2101.13 283.959 6 -2 1 22 2809.20 322.682 6 -2 -1 22 2665.33 329.847 6 -2 1 21 558.431 196.488 6 -2 -1 21 628.634 186.946 6 -2 1 20 16000.4 739.691 6 -2 -1 20 15274.8 714.481 6 -2 -1 20 14346.0 802.732 5 -2 -1 19 1070.13 235.421 5 -2 -1 19 1234.11 222.012 6 -2 1 19 722.573 294.910 1 -2 1 19 1529.86 255.088 6 -2 1 18 469.065 261.384 1 -2 -1 18 740.381 201.139 5 -2 -1 18 500.561 159.378 6 -2 1 18 933.206 193.513 6 -2 1 17 770.129 162.865 6 -2 -1 17 1137.31 208.872 6 -2 -1 17 1338.75 260.958 5 -2 1 17 741.611 290.621 1 -2 1 16 762.039 168.036 6 -2 1 16 1187.20 337.758 1 -2 -1 16 854.986 165.924 6 -2 -1 16 1090.39 216.999 5 -2 -1 15 2848.08 298.839 5 -2 1 15 1818.11 384.439 1 -2 1 15 2722.86 256.493 6 -2 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807.978 1 2 1 6 3115.63 229.006 2 2 -1 6 3234.46 243.425 1 2 -1 7 23334.3 736.258 1 2 1 7 22149.5 661.141 2 2 -1 8 11875.6 574.475 1 2 -1 9 7518.96 491.288 1 2 1 10 3701.28 425.260 1 2 -1 10 3972.18 387.070 1 2 -1 11 4568.12 439.243 1 2 1 11 4619.47 496.631 1 2 1 12 4273.56 508.740 1 2 -1 12 4313.27 453.958 1 2 1 13 2852.89 419.359 1 2 -1 13 2573.53 370.295 1 2 1 14 5085.86 585.671 1 2 -1 14 5000.29 536.152 1 2 -1 14 5870.11 409.812 5 2 1 14 6056.76 383.947 6 2 -1 14 6118.47 409.011 6 2 -1 15 1422.74 227.927 5 2 -1 15 1042.62 186.935 6 2 1 15 1204.36 328.078 1 2 1 15 1395.47 216.067 6 2 -1 16 2752.75 310.527 6 2 -1 16 2397.49 287.653 5 2 1 16 2097.27 394.967 1 2 1 16 2292.66 266.316 6 2 1 17 1210.83 326.503 1 -2 -1 -17 1314.03 155.021 7 2 -1 17 1255.79 244.405 6 2 -1 17 1246.21 241.992 5 2 1 17 1271.11 230.505 6 2 1 18 2310.26 302.711 6 2 -1 18 2301.99 326.125 6 2 1 18 3306.21 550.443 1 2 -1 18 2164.76 306.857 5 -2 -1 -18 2526.35 210.892 7 2 -1 19 3748.29 411.946 5 -2 -1 -19 4237.90 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57682.7 1137.12 3 2 2 2 3091.05 200.967 2 -2 -2 -2 3007.40 278.183 3 2 2 3 14528.3 423.404 2 -2 -2 -3 14224.9 622.006 3 2 2 4 3934.28 234.444 2 2 2 5 26982.0 654.396 2 2 2 6 121835. 1497.35 2 2 2 7 6207.42 365.753 2 2 2 8 7416.74 421.926 2 2 2 9 873.370 154.422 2 2 2 10 24767.9 864.457 2 2 2 11 4717.62 401.855 2 2 2 12 4076.01 538.427 1 2 2 13 11009.3 507.291 6 2 2 13 11818.9 923.160 1 2 -2 13 11221.9 573.556 5 2 2 14 1313.02 334.187 1 2 -2 14 990.512 185.789 6 2 -2 14 1064.45 213.165 5 2 2 14 1091.09 181.450 6 2 2 15 2073.93 258.053 6 2 2 15 2021.52 410.301 1 2 -2 15 2059.57 276.494 6 2 -2 15 1849.22 265.058 5 2 -2 16 1901.66 276.975 5 2 2 16 2016.02 408.312 1 2 -2 16 2105.95 295.348 6 2 2 16 1744.67 249.377 6 2 -2 17 86.3308 175.921 6 2 2 17 27.5467 140.547 1 2 -2 17 7.73163 113.021 5 2 2 17 122.160 123.276 6 2 -2 18 3812.84 411.573 5 2 -2 18 4342.89 428.145 6 2 2 18 4750.06 417.668 6 2 2 18 4790.48 682.731 1 2 -2 19 4351.42 434.279 6 2 -2 19 4591.75 463.778 5 2 2 19 5017.98 707.609 1 2 2 19 5243.31 436.435 6 2 -2 20 1163.90 244.829 6 2 2 20 743.795 207.376 6 2 -2 20 935.861 260.752 5 -2 -2 -20 726.799 273.089 3 2 2 20 195.144 204.301 1 2 2 21 907.577 329.422 1 -2 -2 -21 427.894 230.839 3 2 2 21 303.217 179.230 6 2 -2 21 412.997 195.876 5 2 -2 21 440.323 206.156 6 2 2 22 6776.43 518.095 6 2 -2 22 6815.80 536.893 6 2 -2 23 4825.17 451.844 6 -2 2 -23 4793.93 352.056 7 2 2 23 5025.49 451.710 6 2 -2 24 2396.49 320.693 6 -2 2 -24 2241.88 245.919 7 2 2 24 2286.17 317.202 6 2 -2 25 1856.73 275.245 6 -2 2 -25 2038.96 230.741 7 2 2 25 2252.71 295.464 6 -2 2 -26 1148.45 165.058 7 2 2 26 1161.82 211.282 6 2 -2 26 1454.66 226.103 6 2 2 27 291.448 124.467 6 -2 2 -27 318.987 107.969 7 2 -2 27 257.585 105.439 6 -2 2 -28 204.798 77.9868 7 2 -2 28 330.251 112.971 6 2 2 28 456.694 135.016 6 2 2 29-31.0407 75.5687 6 2 -2 29-37.3027 74.8344 6 -2 3 29 769.583 156.200 11 2 3 -29 778.273 108.859 7 2 3 -28-9.66422 68.5301 7 -2 3 28-78.9258 122.404 11 2 3 -27 129.505 90.9134 7 -2 3 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626.522 1 2 -3 17 2697.31 354.674 5 2 3 17 2856.36 320.926 6 2 -3 17 2794.28 342.329 6 2 3 18 342.803 148.972 6 -2 -3 -18 118.351 189.290 3 2 -3 18 211.983 135.263 6 2 3 18 96.8941 197.614 1 2 -3 18 515.282 225.895 5 2 3 19 1196.90 359.690 1 -2 -3 -19 1016.70 344.864 3 2 3 19 1227.08 255.491 6 2 -3 19 1101.02 250.467 5 2 -3 19 861.270 234.207 6 -2 -3 -20 14445.4 1272.11 3 2 -3 20 15001.5 784.510 6 2 3 20 15986.8 1291.94 1 2 -3 20 14718.8 841.629 5 2 3 20 14532.8 734.181 6 2 3 21 146.835 185.491 6 2 -3 21 358.746 213.679 5 2 -3 21 87.0046 138.427 6 2 3 22 10897.9 639.519 6 2 -3 22 10653.0 649.398 6 2 -3 22 12033.0 760.254 5 2 -3 23 79.5244 137.908 6 2 -3 23 372.401 214.975 5 -2 3 -23 155.602 140.676 7 2 3 23 69.1855 132.643 6 2 3 24 3226.92 343.996 6 -2 3 -24 3466.84 295.230 7 2 -3 24 3145.51 341.483 6 -2 3 -25 68.8446 101.293 7 2 3 25 61.6217 113.662 6 2 -3 25-74.0605 136.899 6 -2 3 -26 111.149 99.5592 7 2 3 26 227.855 143.836 6 2 -3 26 97.4358 121.311 6 -2 3 -27-72.4834 81.8409 7 2 3 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6903.42 822.181 1 2 -4 14 6428.58 510.554 4 2 -4 14 5274.70 430.307 6 2 -4 15 5607.03 514.940 5 2 4 15 6256.30 447.165 6 2 4 15 6524.06 828.790 1 2 -4 15 5763.16 467.367 6 -2 -4 -15 7338.23 908.755 3 2 4 16 2359.02 296.433 6 2 -4 16 1761.13 306.697 5 2 -4 16 1883.39 288.924 6 -2 -4 -16 1635.89 432.558 3 2 4 16 1918.22 475.447 1 2 4 17 14656.4 715.354 6 2 4 17 16383.2 1332.45 1 2 -4 17 14988.2 854.747 5 -2 -4 -17 17185.7 1429.55 3 2 -4 17 14529.8 755.625 6 2 -4 18 37.8946 144.501 6 2 -4 18 100.934 168.103 5 2 4 18 247.917 205.199 1 2 4 18 64.2393 144.053 6 -2 -4 -18 478.028 298.764 3 -2 -4 -19 2258.20 538.460 3 2 4 19 2690.38 548.494 1 2 -4 19 2682.95 343.727 6 2 -4 19 3579.91 436.801 5 2 4 19 2424.48 312.600 6 2 -4 20 148.192 139.682 6 2 4 20-78.8418 154.977 6 2 -4 20 119.620 165.760 5 2 -4 21 338.484 216.474 5 2 -4 21-46.7126 155.132 6 2 4 21 272.503 150.630 6 -2 4 -22 1275.26 208.640 7 2 4 22 1264.24 240.216 6 2 -4 22 1257.16 284.237 5 2 -4 22 988.676 224.775 6 2 -4 23 32.5106 147.478 5 2 4 23 33.0345 123.748 6 -2 4 -23 18.2110 106.311 7 2 -4 23 279.764 150.130 6 -2 4 -24 3226.37 283.609 7 2 -4 24 3097.83 362.665 5 2 -4 24 3014.16 318.034 6 2 4 24 3297.59 336.503 6 2 -4 25-47.9816 99.6127 6 -2 4 -25 261.039 113.832 7 2 -4 26 741.397 135.040 6 -2 4 -26 1059.86 156.606 7 2 4 27 1750.69 224.154 11 -2 4 -27 1738.76 174.303 7 2 4 28 90.9018 80.2910 11 -2 4 -28 58.9831 55.9467 7 -2 5 27 834.134 132.914 11 2 5 -27 1337.95 144.301 7 2 5 -26 125.588 91.5332 7 -2 5 26-90.4950 110.870 11 -2 5 25 1021.48 205.073 11 -2 -5 25 1243.70 226.573 5 -2 -5 24 1207.03 259.998 5 -2 5 24 1416.88 245.841 11 -2 5 23-18.9199 123.049 11 -2 -5 23 171.762 161.890 5 -2 -5 22 1479.83 298.206 5 -2 5 22 1335.78 263.510 11 -2 -5 21 109.839 193.775 5 -2 -5 20 1218.75 305.317 5 -2 -5 19 446.335 248.042 5 -2 5 18 1105.99 356.551 1 -2 -5 18 624.365 232.681 5 -2 -5 17 1249.19 296.609 5 -2 5 17 1579.85 454.210 1 -2 -5 17 1114.06 275.370 4 -2 -5 16 5434.21 556.254 5 -2 5 16 5005.60 761.773 1 -2 -5 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284.190 2 2 -5 -1 1225.97 210.117 3 -2 5 0 33569.4 1556.02 2 2 -5 0 33776.0 972.866 3 -2 -5 0 32689.7 1266.25 3 2 5 0 32251.5 1299.24 2 -2 -5 -1 41978.3 1471.27 3 2 5 1 43333.3 1459.65 2 -2 -5 -2 20084.0 1054.93 3 2 5 2 20268.8 960.693 2 2 5 3 27470.9 1071.78 2 -2 -5 -3 25833.4 1235.52 3 -2 -5 -4 5448.84 587.931 3 2 5 4 6045.28 495.017 2 2 5 5 118407. 2113.89 2 -2 -5 -5 112883. 2762.93 3 2 5 6-38.7403 63.5766 2 -2 -5 -6 38.0038 117.119 3 2 -5 7 25192.1 756.244 4 -2 -5 -7 23851.9 1368.66 3 -2 -5 -8 4063.01 582.545 3 2 -5 8 4385.00 339.692 6 2 -5 8 4585.93 343.400 4 -2 -5 -9 21760.2 1385.83 3 2 -5 9 21333.1 756.781 6 2 -5 9 21178.7 761.182 4 -2 -5 -10 8495.14 908.559 3 2 -5 10 9224.73 517.705 6 2 -5 10 9428.49 533.851 4 2 5 11 6249.83 402.251 6 -2 -5 -11 7128.72 853.264 3 2 -5 11 5581.51 426.217 6 2 -5 11 6166.02 456.162 4 2 5 12 7295.19 452.132 6 2 -5 12 6254.74 459.843 6 2 -5 12 6544.98 493.175 4 -2 -5 -12 7222.97 887.901 3 2 -5 13 7980.45 555.772 4 2 5 13 8945.51 991.663 1 2 -5 13 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216.824 7 2 -5 22 1782.17 302.250 5 -2 5 -23 3503.61 288.052 7 2 -5 23 2706.55 272.699 6 2 -5 23 3407.91 381.337 5 2 -5 24-58.0721 114.043 5 2 -5 24 141.126 126.161 6 -2 5 -24 241.430 126.583 7 2 5 25 404.592 130.208 11 -2 5 -25 912.649 152.334 7 2 5 26 116.796 94.2448 11 -2 5 -26 251.977 93.6719 7 -2 5 -27 773.267 110.035 7 2 6 -26 989.648 120.823 7 2 6 -25-97.9480 83.5717 7 2 6 -24 2.14204 80.6292 7 -2 6 24 173.784 111.836 11 -2 -6 24-45.8357 118.057 5 -2 -6 23 2695.84 327.872 5 -2 6 23 2294.99 247.026 11 -2 -6 22 4037.71 430.862 5 -2 6 22 3538.25 318.969 11 -2 6 21-22.5400 112.606 11 -2 -6 21 463.247 239.014 5 -2 -6 20 6149.10 556.819 5 -2 6 20 5410.73 417.092 11 -2 -6 19 1296.09 303.600 5 -2 6 19 919.873 174.860 11 -2 -6 18 7972.99 670.866 5 -2 6 18 7082.64 493.914 11 2 -6 -18 8471.21 550.635 8 -2 -6 17 5394.82 562.560 5 -2 -6 17 4228.67 479.628 4 -2 6 16 6527.74 843.754 1 -2 -6 16 5313.71 541.571 4 -2 -6 16 5281.05 551.338 5 2 -6 -16 6035.85 868.747 3 -2 -6 15 1911.50 344.748 4 2 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7 11662.2 819.467 2 -3 4 7 11904.1 826.749 1 -3 4 6 4244.82 496.005 2 -3 4 6 4161.43 479.717 1 -3 4 5 8029.40 676.369 2 -3 4 4 3886.99 485.275 2 -3 4 3 2561.33 389.751 2 -3 4 2 20494.9 1102.74 2 -3 -4 1 18090.8 884.273 3 -3 4 1 18170.2 1048.00 2 3 -4 0 23428.2 674.954 3 -3 -4 0 22104.6 986.715 3 -3 -4 -1 20194.5 960.532 3 3 4 1 20246.0 805.111 2 3 -4 1 20168.3 533.852 3 -3 -4 -2 2335.26 346.911 3 3 4 2 3019.95 300.601 2 -3 -4 -3 683.802 190.861 3 3 4 3 810.465 142.074 2 -3 -4 -4 10056.4 743.721 3 3 4 4 11070.1 512.134 2 3 4 5 2066.91 221.514 2 -3 -4 -5 2059.72 349.183 3 3 4 6 592.690 129.552 2 -3 -4 -6 389.471 170.351 3 -3 -4 -7 59047.7 1998.14 3 -3 -4 -8 11936.7 927.405 3 -3 -4 -9 4464.40 607.373 3 -3 -4 -10 860.613 278.084 3 3 -4 10 658.134 157.684 4 3 -4 10 918.084 181.824 6 -3 -4 -11 9049.89 910.870 3 3 -4 11 9260.48 527.791 6 3 -4 11 9396.77 515.450 4 3 4 11 9847.97 474.060 6 3 4 12 10606.1 517.798 6 3 -4 12 10352.5 579.453 6 3 -4 12 9599.25 553.180 4 -3 -4 -12 9955.73 981.331 3 3 4 13 9805.52 530.767 6 -3 -4 -13 10635.1 1038.25 3 3 -4 13 9952.33 596.035 4 3 -4 13 11142.7 654.230 5 3 -4 13 9935.04 591.715 6 3 -4 14 15180.7 759.196 6 3 4 14 14842.4 1239.82 1 3 4 14 15739.6 689.434 6 3 -4 14 15703.8 811.241 5 -3 -4 -14 16578.4 1341.62 3 3 4 15 16125.8 720.419 6 3 -4 15 16058.5 788.291 6 3 4 15 17100.4 1348.44 1 -3 -4 -15 17878.7 1418.15 3 3 -4 15 16597.9 855.859 5 3 -4 16 6698.64 561.932 5 3 4 16 7037.46 900.458 1 3 -4 16 6557.29 527.924 6 -3 -4 -16 5830.91 828.806 3 3 4 16 6552.17 477.060 6 3 4 17 1396.76 414.642 1 3 -4 17 1807.69 328.909 5 3 4 17 1616.54 269.962 6 3 -4 17 1429.82 275.455 6 -3 -4 -17 1388.73 466.656 3 3 -4 18 88.8697 161.539 6 3 4 18 194.002 164.272 6 3 4 18-267.559 268.202 1 -3 -4 -18 346.217 347.225 3 3 -4 18 31.8342 149.672 5 3 -4 19 1029.27 284.853 5 -3 -4 -19 842.253 374.278 3 3 4 19 323.668 163.463 6 3 4 19 792.684 332.275 1 3 -4 19 762.416 228.709 6 3 -4 20 13090.7 728.313 6 3 4 20 12846.4 689.941 6 3 -4 20 14508.2 824.496 5 3 -4 21 2014.15 337.381 5 -3 4 -21 1802.08 241.181 7 3 4 21 1967.87 284.707 6 3 -4 21 1669.30 275.802 6 3 -4 22 1315.60 242.442 6 -3 4 -22 1532.89 221.527 7 3 4 22 1818.11 279.530 6 3 -4 22 1710.83 304.769 5 3 -4 23 506.065 184.096 5 -3 4 -23 750.690 160.644 7 3 4 23 910.377 195.936 6 3 -4 23 509.441 171.387 6 3 4 24 3742.43 336.824 6 3 -4 24 3465.45 337.609 6 -3 4 -24 3799.52 295.192 7 3 -4 25 533.951 141.675 6 -3 4 -25 605.983 140.854 7 -3 4 -26 744.536 131.051 7 3 -4 26 666.255 147.361 6 3 -4 27 98.7988 62.9515 6 -3 4 -27 159.806 73.4614 7 -3 4 -28 52.4222 58.0252 7 3 5 -27 1127.63 132.182 7 -3 5 27 906.784 144.669 11 3 5 -26 1990.11 196.713 7 -3 5 26 1503.81 209.102 11 -3 5 25-246.844 133.055 11 -3 -5 24 1228.87 260.916 5 -3 5 24 1281.33 223.705 11 -3 5 23 1479.23 250.901 11 -3 -5 23 1300.20 261.641 5 -3 -5 22 1376.19 286.509 5 -3 5 22 1374.80 266.688 11 -3 5 21 112.870 148.570 11 -3 -5 21 24.4378 171.322 5 -3 -5 20 70.7451 188.398 5 -3 5 20-93.6464 140.889 11 -3 -5 19 127.427 197.785 5 -3 5 18-178.610 230.046 1 -3 -5 18 82.4576 199.812 5 -3 5 17 3703.61 679.436 1 -3 -5 17 3905.00 459.721 5 -3 -5 17 3304.51 442.019 4 -3 -5 16 16833.2 934.545 4 -3 5 16 19204.7 1438.99 1 -3 -5 16 18749.6 984.562 5 -3 -5 15 323.879 190.234 4 -3 5 15 481.719 334.956 1 -3 5 15 643.141 283.036 2 -3 -5 15 317.216 181.787 5 -3 -5 14 4561.02 478.079 5 -3 5 14 4200.99 645.387 1 -3 5 14 5145.00 637.382 2 -3 -5 14 4393.91 454.407 4 -3 5 13 36431.1 1672.53 2 -3 -5 13 32515.7 1151.96 4 -3 5 13 35481.9 1845.07 1 -3 5 12 36751.6 1819.95 1 -3 -5 12 35567.1 1162.90 4 -3 5 12 39690.8 1716.27 2 -3 5 11 8815.91 873.390 1 -3 5 11 8482.59 795.084 2 -3 -5 11 8825.22 560.229 4 -3 5 10 173.545 189.944 1 -3 5 10 207.835 126.853 2 -3 -5 10 340.059 143.408 4 -3 5 9 1522.72 330.737 2 -3 5 9 1690.81 381.944 1 -3 -5 9 1999.49 254.709 4 -3 -5 8 44820.3 1109.98 4 -3 5 8 45604.7 1774.55 2 -3 5 8 46156.2 1807.06 1 3 -5 -8 45970.6 1031.97 8 -3 5 7 3244.31 473.317 1 -3 -5 7 3308.52 296.210 4 -3 5 7 2918.22 479.478 2 -3 -5 6 2985.86 272.747 4 -3 5 6 2743.75 423.721 1 -3 5 6 2504.91 420.373 2 -3 -5 5 378.601 108.038 4 -3 5 5 522.817 204.198 2 -3 5 4 2234.05 405.937 2 3 -5 -3 4445.80 441.119 3 -3 5 3 4022.28 547.487 2 3 -5 -2 568.808 147.227 3 -3 5 2 401.994 203.876 2 3 -5 -1 305.214 107.684 3 -3 5 1 175.975 125.534 2 -3 -5 0 22157.9 1096.93 3 -3 5 0 21660.1 1294.44 2 3 5 0 21159.8 998.744 2 3 5 1 9288.87 638.038 2 -3 -5 -1 8348.96 696.223 3 -3 -5 -2 2116.22 369.284 3 3 5 2 1984.48 282.549 2 -3 -5 -3 13422.7 930.592 3 3 5 3 13245.8 688.237 2 -3 -5 -4-73.6057 165.207 3 -3 -5 -5 155.781 157.500 3 -3 -5 -6 2949.90 500.484 3 3 -5 7 14.0382 91.6381 4 -3 -5 -7 322.459 173.519 3 -3 -5 -8 113.653 215.901 3 3 -5 8 111.688 91.9214 4 3 -5 9 553.710 145.082 4 -3 -5 -9 601.815 268.883 3 3 -5 9 530.455 136.472 6 -3 -5 -10 12.3457 206.833 3 3 -5 10 192.518 114.825 6 3 -5 10-3.23472 94.7428 4 3 -5 11 89.2204 108.257 4 -3 -5 -11-96.7582 260.591 3 3 -5 11 203.351 121.825 6 3 5 11 336.860 123.263 6 -3 -5 -12 3118.23 596.416 3 3 5 12 4102.39 343.951 6 3 -5 12 3833.61 382.703 6 3 -5 12 3662.00 366.137 4 3 -5 13 1601.97 263.341 4 3 -5 13 1417.59 256.688 6 3 5 13 1633.06 463.223 1 -3 -5 -13 1716.46 475.503 3 3 5 13 1834.89 262.326 6 3 -5 14 479.578 213.935 5 3 -5 14 58.7503 138.737 4 3 5 14 377.464 128.912 6 -3 -5 -14 330.697 264.155 3 3 -5 14 80.3334 134.132 6 3 5 14-205.251 193.208 1 3 -5 15 2277.01 358.096 5 -3 -5 -15 1416.57 468.490 3 3 5 15 1869.71 491.639 1 3 5 15 2194.11 285.222 6 3 -5 15 2158.90 326.272 6 3 5 16 219.382 120.871 6 3 -5 16 314.901 191.959 6 3 -5 16 214.955 187.308 5 3 5 16 372.201 284.600 1 -3 -5 -16 762.748 388.937 3 3 5 17 14458.3 1289.33 1 3 5 17 14080.0 717.263 6 3 -5 17 14544.0 856.594 5 3 -5 17 13874.7 756.380 6 -3 -5 -17 14881.7 1381.04 3 3 -5 18 5274.31 531.932 5 3 -5 18 5083.87 464.753 6 3 5 18 5282.00 457.662 6 3 -5 19 206.111 189.103 5 3 5 19-53.2984 160.155 6 3 -5 19 232.513 142.435 6 3 -5 20-6.44346 134.514 6 -3 5 -20 29.0543 116.550 7 3 -5 20 69.0830 199.374 5 -3 5 -21 2647.25 274.924 7 3 -5 21 2620.78 360.585 5 3 -5 21 2102.10 284.185 6 -3 5 -22 6646.70 413.096 7 3 -5 22 7241.21 551.459 5 3 -5 22 6039.99 438.374 6 3 -5 23-126.460 144.173 6 -3 5 -23 24.5570 101.251 7 3 -5 23 161.517 139.211 5 -3 5 -24 376.442 132.378 7 3 -5 24 291.175 150.220 5 3 -5 24 85.4679 99.8537 6 -3 5 -25 77.1483 81.2970 7 3 -5 25-105.294 66.9072 6 -3 5 -26 2217.39 186.695 7 3 5 26 1661.99 188.989 11 -3 5 -27 279.160 73.7328 7 3 6 -26 512.277 98.4243 7 3 6 -25 123.268 88.6355 7 -3 -6 24 188.875 122.581 5 -3 6 24 83.2930 75.4604 11 -3 6 23-156.862 124.648 11 -3 -6 23-34.9845 122.985 5 -3 -6 22 9516.71 616.646 5 -3 6 22 7303.80 450.632 11 -3 6 21 4810.60 388.802 11 -3 -6 21 5642.92 515.185 5 -3 6 20 251.893 128.289 11 -3 -6 20 672.089 262.246 5 -3 6 19 1270.49 221.538 11 -3 -6 19 1519.97 312.312 5 -3 6 18 11517.6 619.025 11 -3 -6 18 13729.5 859.504 5 -3 6 17-281.527 140.639 11 -3 -6 17 102.125 181.548 5 -3 -6 17 191.211 173.917 4 -3 -6 16 1143.83 286.642 4 -3 -6 16 1287.14 321.528 5 3 -6 -16 1318.55 435.960 3 -3 -6 15 23145.4 1064.01 4 -3 6 15 27567.6 1689.14 1 -3 -6 15 22752.2 1104.39 5 3 -6 -15 26384.3 1818.79 3 3 -6 -15 24456.3 923.818 8 3 -6 -14 4682.81 764.350 3 3 -6 -14 4954.11 431.541 8 -3 -6 14 5604.70 547.235 5 -3 6 14 4294.38 684.357 1 -3 -6 14 5104.49 508.565 4 3 -6 -13 6167.12 471.885 8 -3 -6 13 5925.99 534.523 4 -3 6 13 5875.59 763.507 1 -3 -6 12 483.965 212.270 4 -3 6 12-11.1313 133.022 2 -3 6 12 335.927 199.340 1 3 -6 -12 320.858 146.674 8 3 -6 -11 2049.54 275.908 8 -3 -6 11 1768.93 289.706 4 -3 6 11 1563.79 364.755 2 -3 6 11 2605.11 522.814 1 3 -6 -10 5470.55 439.085 8 -3 -6 10 6197.49 495.110 4 3 -6 -10 6986.60 836.440 3 -3 6 10 5371.89 703.153 1 -3 6 10 6425.93 715.716 2 3 -6 -9 5941.62 743.181 3 -3 -6 9 5654.77 462.423 4 3 -6 -9 5585.67 431.286 8 -3 6 9 5329.96 665.470 1 -3 6 9 5192.00 644.666 2 3 -6 -8 16214.7 718.957 8 -3 6 8 16867.4 1160.35 2 3 -6 -8 16622.0 1203.14 3 -3 -6 8 14648.6 697.585 4 -3 6 8 15111.1 1096.47 1 3 -6 -7 15811.1 1103.08 3 -3 -6 7 13554.1 656.936 4 3 -6 -7 13614.2 654.966 8 -3 6 7 13241.9 1045.96 2 -3 6 7 13744.1 1023.08 1 -3 -6 6 6458.63 449.110 4 3 -6 -6 6025.12 436.790 8 -3 6 6 5583.07 693.799 2 -3 6 6 6477.80 694.037 1 3 -6 -6 6627.21 677.044 3 3 -6 -5 22992.0 1194.06 3 -3 -6 5 21282.6 773.684 4 3 -6 -5 20311.4 801.259 8 -3 6 5 21984.9 1194.11 1 -3 6 5 21087.0 1316.33 2 -3 6 4 9254.09 888.271 2 -3 -6 4 9796.52 514.167 4 -3 6 4 10019.0 784.646 1 3 -6 -4 9237.59 545.495 8 3 -6 -3 5475.40 422.275 8 -3 6 3 4763.64 651.162 2 -3 -6 2 8503.32 554.087 8 -3 6 2 9396.24 918.803 2 3 -6 -2 8502.99 529.297 8 3 6 -1 24089.8 1221.87 2 -3 6 1 24752.8 1507.38 2 -3 -6 1 25977.1 956.186 8 -3 6 0 6766.10 818.494 2 3 6 0 6156.63 588.766 2 -3 -6 0 6563.86 472.662 8 -3 6 -1 6451.01 783.652 2 -3 -6 -1 7173.84 698.727 3 -3 -6 -1 7688.42 511.919 8 -3 -6 -2 6743.29 706.461 3 -3 6 -2 6282.23 808.224 2 3 -6 2 7696.96 405.615 4 -3 -6 -2 7964.73 519.170 8 3 -6 3 988.663 159.968 4 -3 -6 -3 794.909 189.453 8 3 -6 4 268.720 119.649 4 -3 -6 -4 361.214 168.766 8 -3 -6 -5 351.169 248.866 3 -3 -6 -5 449.048 175.824 8 3 -6 5 46.5965 89.7475 4 3 -6 6 24295.6 794.144 4 -3 -6 -6 24478.4 1495.79 3 3 -6 7 3945.18 334.113 4 -3 -6 -7 5047.77 735.310 3 3 -6 8 2.54581 125.742 6 3 -6 8 378.397 144.473 4 -3 -6 -8-219.932 209.511 3 3 -6 9 7144.18 492.151 6 3 -6 9 6966.49 480.724 4 -3 -6 -9 6767.03 867.844 3 -3 -6 -10 2121.45 519.114 3 3 -6 10 1725.72 269.033 6 3 -6 10 2061.55 289.394 4 3 -6 11 1002.31 223.428 4 3 -6 11 753.104 195.017 6 -3 -6 -12 5273.80 840.849 3 3 -6 12 5548.34 473.512 6 3 -6 12 5302.94 448.644 4 -3 -6 -13 396.095 345.630 3 3 6 13 389.281 314.323 1 3 -6 13-141.053 165.122 4 3 -6 13 171.023 144.531 6 -3 -6 -14 732.545 298.656 3 3 6 14 77.6551 219.251 1 3 -6 14 369.958 172.226 4 3 -6 14 1029.30 294.218 5 3 -6 14 602.230 181.395 6 -3 -6 -15 2052.26 596.693 3 3 6 15 2794.09 622.363 1 3 -6 15 2074.36 321.650 6 3 -6 15 2426.40 390.565 5 3 -6 16 1435.99 280.474 6 3 -6 16 1610.97 311.424 5 3 -6 17 1444.10 264.548 6 -3 6 -17 1613.56 226.465 7 3 -6 17 1698.13 321.348 5 -3 6 -18 1883.50 242.136 7 3 -6 18 2162.10 353.115 5 3 -6 18 1951.52 291.042 6 -3 6 -19 2936.60 284.681 7 3 -6 19 2832.03 387.525 5 3 -6 19 2759.56 318.345 6 3 -6 20 194.749 179.207 5 -3 6 -20 80.9228 104.108 7 3 -6 20-96.2820 121.383 6 -3 6 -21 695.876 157.409 7 3 -6 21 599.939 146.874 6 3 -6 21 750.698 207.399 5 3 -6 22 448.024 189.224 5 -3 6 -22 368.676 129.168 7 -3 6 -23 437.513 126.594 7 3 -6 23 289.554 130.953 5 3 -6 24 2200.49 235.838 5 -3 -6 -24 2294.49 230.174 8 -3 6 -24 2290.28 196.442 7 -3 6 -25 86.6021 62.4174 7 -3 -7 24 5332.53 342.104 5 3 7 -24 5744.57 254.414 7 3 7 -23 3335.47 220.489 7 -3 -7 23 3529.61 317.482 5 -3 -7 22 1001.49 219.325 5 -3 -7 21 187.427 160.788 5 -3 -7 20 13359.3 740.097 5 -3 -7 19 3324.96 411.210 5 -3 -7 18 1889.91 334.145 5 -3 -7 17 399.258 217.869 4 -3 -7 17 491.592 223.721 5 -3 -7 16 6964.18 601.808 4 -3 -7 16 6716.94 614.546 5 -3 -7 15 1533.02 308.848 4 -3 -7 15 1455.92 308.796 5 3 -7 -15 1398.68 243.266 8 3 -7 -14-96.2578 149.126 8 -3 -7 14 184.020 207.555 4 -3 -7 14 1.28773 186.872 5 -3 -7 13 1456.87 312.207 4 3 -7 -13 1040.40 238.327 8 -3 -7 12 932.324 253.168 4 3 -7 -12 1401.99 412.864 3 3 -7 -12 756.401 183.837 8 -3 -7 11 1008.23 265.539 4 3 -7 -11 877.112 217.070 8 -3 7 11 835.550 305.894 1 3 -7 -10 7060.05 548.493 8 -3 7 10 7368.24 808.815 1 -3 -7 10 8599.47 623.063 4 3 -7 -9 1621.58 296.662 8 -3 7 9 1059.78 338.516 1 -3 -7 9 1703.62 309.248 4 -3 7 8-87.5869 143.187 2 3 -7 -8 97.3542 140.621 8 -3 7 8-64.7484 219.411 1 -3 -7 8-22.8553 128.308 4 -3 7 7 647.683 258.270 2 3 -7 -7 163.263 132.538 8 -3 -7 7 315.195 161.709 4 3 -7 -6 19908.1 911.771 8 -3 -7 6 20778.1 872.105 4 -3 7 6 21259.0 1390.66 2 3 -7 -5 4066.71 419.001 8 -3 -7 5 5087.62 431.319 4 -3 7 5 4944.73 666.021 2 3 -7 -4 6396.65 519.353 8 -3 7 4 6403.92 797.684 2 -3 -7 4 7190.22 500.332 4 -3 7 3 713.592 286.593 2 -3 -7 3 703.685 189.135 4 -3 7 2-91.9404 165.474 2 -3 -7 1 615.170 197.306 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14260.2 1252.49 3 -5 -5 -11 2177.52 533.133 3 5 5 11 2317.41 242.896 6 5 -5 11 1797.47 251.000 4 5 -5 11 2018.66 293.212 6 5 -5 12 2702.85 313.154 4 5 -5 12 2093.35 310.327 6 -5 -5 -12 1505.44 441.337 3 5 5 12 2044.58 244.020 6 -5 -5 -13 161.921 214.062 3 5 -5 13-13.1543 144.811 5 5 5 13-153.287 110.755 6 5 -5 13-115.767 159.209 6 5 -5 14-104.243 182.766 5 -5 -5 -14 33.0810 230.989 3 5 5 14 371.910 148.939 6 -5 5 -14 90.9538 111.441 7 5 -5 14-107.666 159.371 6 5 5 14 324.310 271.429 1 -5 -5 -15 384.116 264.986 3 5 -5 15 654.934 224.417 5 -5 5 -15 1230.76 199.711 7 5 5 15 861.725 213.742 6 5 5 15 901.533 403.391 1 5 -5 15 951.745 251.533 6 -5 -5 -16 6198.00 968.954 3 5 5 16 7396.22 942.968 1 -5 5 -16 6912.32 429.128 7 5 5 16 6859.53 488.853 6 5 -5 16 6249.19 555.332 5 5 -5 16 6169.33 533.655 6 5 -5 17 2430.37 352.947 5 5 5 17 2219.88 298.784 6 -5 5 -17 2365.88 285.251 7 5 -5 17 2046.14 347.991 6 -5 5 -18 5527.53 391.066 7 5 5 18 5847.54 461.496 6 5 -5 18 5031.84 469.510 6 5 -5 18 6352.31 557.132 5 -5 5 -19 9176.52 510.382 7 5 5 19 9595.63 564.727 6 5 -5 19 8625.36 609.619 6 5 -5 19 9586.86 650.053 5 -5 5 -20 6072.91 403.115 7 5 -5 20 5932.47 487.617 6 5 -5 20 6578.30 522.483 5 -5 5 -21 4151.03 328.619 7 5 -5 21 3988.07 391.883 6 5 -5 21 4478.84 431.055 5 5 -5 22 4955.99 404.751 6 -5 5 -22 5739.23 367.293 7 5 -5 22 5574.63 442.639 5 5 -5 23 802.220 174.759 6 -5 5 -23 715.945 153.445 7 5 -5 23 611.325 159.200 5 -5 5 -24 2126.54 215.990 7 5 -5 24 1468.51 191.453 6 -5 5 -25 1065.32 150.805 7 5 -5 25 1072.65 154.898 6 -5 5 -26 231.098 86.0315 7 5 6 -26 191.117 66.9529 7 -5 6 24 2681.51 240.156 11 -5 -6 24 3819.90 339.484 5 -5 -6 23 2536.63 296.164 5 -5 6 23 2135.76 245.535 11 -5 6 22-21.9751 133.274 11 -5 -6 22 219.127 146.347 5 -5 -6 21 2331.53 339.161 5 -5 6 21 2296.37 276.359 11 -5 6 20 8070.86 509.400 11 -5 -6 20 9407.25 663.583 5 -5 -6 19 170.469 178.970 5 -5 6 19 286.922 157.369 11 -5 -6 18 235.526 184.516 5 -5 6 18 241.612 139.563 11 -5 -6 17 1646.84 313.284 5 -5 6 17 1772.81 252.605 11 -5 -6 17 1249.84 307.662 4 -5 -6 16 4563.26 504.807 4 -5 -6 16 4295.16 494.250 5 -5 6 15 778.432 328.289 1 -5 -6 15 328.747 230.185 5 -5 -6 15 182.789 148.496 4 -5 -6 14 744.314 244.263 5 -5 6 14 457.841 262.713 1 -5 -6 14 964.324 270.685 4 -5 6 13 5295.96 719.331 1 -5 6 13 5729.44 717.121 2 -5 -6 13 5431.22 518.917 4 -5 -6 13 6500.19 567.594 5 -5 6 12 162.042 180.876 1 -5 -6 12-34.2099 141.838 4 -5 6 12 5.09349 122.371 2 -5 6 11 1966.03 457.112 2 -5 -6 11 2407.26 335.717 4 -5 6 11 2451.20 468.630 1 -5 6 10 1274.54 328.005 1 -5 6 10 710.800 277.140 2 -5 -6 10 1305.62 265.254 4 -5 6 9-167.156 177.689 2 -5 -6 9 61.8041 128.313 4 -5 6 9 230.237 243.109 1 -5 6 8 501.373 274.000 2 5 -6 -8 14.5918 96.3894 8 -5 6 8 374.659 183.607 1 -5 -6 8 203.702 115.106 4 5 -6 -7 17549.1 703.425 8 -5 6 7 17541.5 1083.10 1 -5 -6 7 18107.3 779.262 4 -5 6 7 18652.7 1317.28 2 5 -6 -6 4627.32 364.484 8 -5 6 6 4627.42 538.560 1 -5 -6 6 4707.14 395.540 4 -5 6 6 5288.64 710.108 2 5 -6 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5 3527.83 500.684 2 -8 3 4 380.034 194.309 2 -8 3 3 36244.6 1544.54 2 -8 3 2 97491.9 2534.89 2 -8 3 1 3203.19 469.335 2 -8 3 0 6950.08 687.227 2 -8 3 -1 39085.7 1612.30 2 -8 3 -2 120833. 2860.61 2 -8 -3 -2 111549. 2761.42 3 -8 -3 -3 8737.54 789.414 3 -8 -3 -4 5365.50 630.705 3 -8 -3 -5-9.07195 131.498 3 -8 -3 -6 4531.66 594.464 3 -8 -3 -7 385.658 176.924 3 -8 3 -8 4204.08 256.347 7 -8 3 -8 4466.24 339.517 9 8 -3 8 4505.44 371.816 6 -8 -3 -8 4050.57 595.714 3 -8 3 -9 2040.23 192.866 7 8 -3 9 2263.87 281.744 6 -8 3 -9 2154.03 246.249 9 -8 -3 -9 1828.55 447.134 3 -8 3 -10 11129.7 449.227 7 -8 -3 -10 11273.1 1028.19 3 8 -3 10 10440.2 597.629 6 -8 3 -10 11128.3 569.746 9 -8 3 -11 538.311 137.129 7 8 3 11 179.952 94.2488 6 8 -3 11 316.301 182.076 6 -8 3 -11 701.879 186.302 9 -8 -3 -11 743.359 307.517 3 -8 -3 -12 10336.5 1044.07 3 -8 3 -12 10100.7 465.947 7 8 3 12 10008.4 523.538 6 8 -3 12 8767.15 588.902 6 -8 3 -12 10003.5 582.730 9 8 -3 12 9644.07 525.762 5 -8 3 -13 12945.3 536.781 7 8 3 13 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161.874 134.856 5 -8 7 -15 47.0479 86.7367 7 8 -7 15 17.6850 148.671 6 8 -7 16 177.539 131.398 5 -8 7 -16 277.984 94.9054 7 8 -7 16 216.593 151.162 6 8 -7 17 336.217 115.989 5 -8 -7 -17 212.722 158.426 8 -8 7 -17-133.792 97.7904 7 8 -7 17-13.9703 123.803 6 8 -7 18 614.867 141.239 5 -8 -7 -18 886.437 252.394 8 -8 7 -18 600.607 119.732 7 8 -7 18 352.611 130.580 6 -8 -7 -19 404.034 173.617 8 8 -7 19 233.379 108.383 6 -8 7 -19 2.71235 75.1445 7 -8 -7 -20 1526.33 232.818 8 8 -7 20 604.423 119.441 6 -8 -7 -21 471.700 133.456 8 -8 8 21 315.561 111.154 9 -8 8 20 1828.85 221.906 9 -8 -8 19 526.216 125.929 5 -8 8 19 739.661 171.612 9 -8 -8 18 356.475 124.323 5 -8 8 18 158.130 110.830 9 -8 -8 17 268.787 145.490 5 -8 8 17 68.3678 124.886 9 -8 -8 16 2813.47 317.422 5 -8 8 16 2582.13 306.929 9 -8 -8 16 2617.91 354.771 4 -8 8 15 1803.33 268.969 9 -8 -8 15 2349.79 302.391 5 -8 -8 15 1880.03 319.172 4 -8 -8 14 4103.38 411.948 5 -8 -8 14 4622.36 472.906 4 -8 8 14 4001.12 389.025 9 -8 8 13-97.2992 183.610 9 -8 -8 13 92.4325 139.823 5 -8 -8 13 299.194 187.958 4 -8 8 12 169.182 144.914 9 -8 -8 12 71.3564 151.948 5 -8 -8 12 53.0446 158.884 4 -8 8 11 58.7966 134.722 9 -8 -8 11 151.755 166.947 5 -8 -8 11 161.389 151.971 4 -8 8 10-231.796 174.075 9 -8 -8 10 424.560 224.210 4 -8 8 9 5444.02 461.764 9 -8 -8 9 6104.40 553.026 4 -8 8 8 322.216 133.396 9 -8 -8 8 922.828 252.802 4 -8 8 7 1290.14 237.661 9 -8 -8 7 950.345 239.295 4 -8 -8 6 11180.7 708.203 4 -8 8 6 9893.21 577.244 9 -8 -8 5 10847.0 685.126 4 -8 8 5 10681.2 588.089 9 -8 -8 4 1900.37 318.638 4 -8 -8 3 726.243 219.541 4 -8 -8 2 117.604 137.996 4 -8 -8 1 10052.3 640.717 4 -8 -8 0 2156.38 325.778 4 -8 -8 -1 3796.80 478.105 8 -8 -8 -1 4959.36 463.407 4 -8 -8 -2 660.428 246.695 8 -8 -8 -3 7763.60 675.953 8 -8 -8 -4 871.793 295.081 8 -8 -8 -5-122.397 190.440 8 -8 -8 -6 1380.89 342.370 8 8 -8 6 1254.52 271.778 6 -8 -8 -7 199.699 201.248 8 8 -8 7 249.032 176.940 6 -8 -8 -8 15837.8 974.240 8 8 -8 8 15125.2 803.302 6 -8 -8 -9 155.283 196.907 8 8 -8 9 218.730 174.494 6 -8 -8 -10 5156.74 576.124 8 8 -8 10 4548.86 441.815 6 8 -8 10 4373.20 432.209 5 8 -8 11 953.713 223.499 5 -8 -8 -11 1248.50 299.983 8 8 -8 11 472.585 182.825 6 8 -8 12 1911.29 286.588 5 -8 -8 -12 2208.44 381.727 8 8 -8 12 1796.46 284.294 6 8 -8 13 274.784 162.983 5 -8 -8 -13 93.1494 178.612 8 8 -8 13-64.6665 121.866 6 8 -8 14 481.115 154.252 5 8 -8 14 792.464 197.420 6 8 -8 15 0.70400 106.541 5 8 -8 15-20.5704 116.328 6 8 -8 16 208.874 126.746 5 8 -8 16 129.675 94.6018 6 -8 -8 -16 158.893 177.324 8 -8 -8 -17 485.820 178.969 8 8 -8 17 191.412 89.1712 6 -8 -8 -18 104.118 103.884 8 -8 -8 -19-174.546 101.226 8 -8 9 16 210.515 98.6685 9 -8 9 15 299.403 101.702 9 -8 -9 15 378.683 112.714 5 -8 -9 15 535.885 173.260 4 -8 -9 14 5468.29 450.672 4 -8 -9 14 4720.56 352.980 5 -8 9 14 4931.58 347.213 9 -8 9 13 1137.30 181.626 9 -8 -9 13 976.509 179.802 5 -8 -9 13 1048.85 230.532 4 -8 -9 12 6991.73 528.338 4 -8 -9 12 6498.00 458.132 5 -8 9 12 7034.53 425.560 9 -8 9 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440.986 141.158 7 9 -3 12 503.536 204.543 6 -9 3 -12 398.044 143.051 9 -9 -3 -12 349.476 250.836 3 -9 3 -13 4915.59 348.171 7 9 3 13 5013.31 386.864 6 9 -3 13 4559.47 460.728 6 -9 3 -13 5276.06 476.452 9 -9 -3 -13 4140.50 686.606 3 -9 3 -14 15849.2 636.984 7 9 3 14 16481.0 710.453 6 9 -3 14 15150.3 837.562 6 -9 -3 -14 15929.1 1344.10 3 -9 3 -14 15541.7 820.487 9 -9 3 -15 2382.52 267.792 7 9 3 15 2172.43 275.309 6 -9 3 -15 2146.79 339.533 9 9 -3 15 2167.61 350.036 6 9 3 15 1511.39 407.580 1 -9 -3 -15 2678.68 555.782 3 9 3 16 614.281 293.045 1 -9 3 -16 82.8768 129.386 7 9 3 16 385.384 158.243 6 9 -3 16 171.918 198.771 6 -9 3 -16-246.604 188.345 9 -9 -3 -16 287.299 251.469 3 -9 3 -17 12223.7 584.518 7 9 3 17 11415.8 612.676 6 9 -3 17 12439.4 782.089 6 -9 -3 -17 10203.7 1093.81 3 -9 3 -17 10780.9 727.922 9 -9 3 -18 7797.53 477.488 7 9 3 18 7735.75 504.222 6 9 -3 18 6672.48 593.497 6 -9 3 -19 16545.1 694.445 7 9 3 19 17160.2 732.457 6 9 -3 19 17942.5 921.874 6 -9 3 -20 981.770 201.584 7 9 3 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91.5599 9 -9 6 23 2909.89 248.102 11 -9 6 22 207.214 104.947 11 -9 -6 22 148.106 107.185 5 -9 6 21 2593.94 271.766 11 -9 -6 21 2502.26 276.432 5 -9 6 20 2302.37 264.207 11 -9 -6 20 3085.42 338.851 5 -9 -6 19-99.6842 140.770 5 -9 6 19 215.513 101.377 11 -9 -6 18 2260.02 320.442 5 -9 6 18 2025.26 268.463 11 -9 -6 17 3761.31 455.575 4 -9 6 17 3163.46 333.416 11 -9 -6 17 3674.77 399.646 5 -9 -6 16 1713.46 285.168 5 -9 -6 16 1448.18 300.280 4 -9 6 16 1622.39 260.622 11 -9 -6 15 930.449 229.006 5 -9 -6 15 621.745 230.642 4 -9 6 15 659.364 161.579 11 -9 -6 14 2852.46 379.080 5 -9 -6 14 2511.77 362.030 4 -9 -6 13 263.720 170.497 5 -9 -6 13 395.461 203.478 4 -9 -6 12 1136.63 238.412 5 -9 6 12 629.041 252.144 2 -9 -6 12 1228.47 279.940 4 -9 -6 11 1512.37 262.595 5 -9 6 11 916.797 368.374 2 -9 -6 11 1760.66 329.382 4 -9 6 10 2281.19 531.760 2 -9 -6 10 2172.89 325.093 4 -9 6 9 831.184 348.905 2 -9 -6 9 458.177 183.947 4 -9 6 8 3726.15 668.340 2 -9 -6 8 4142.05 408.414 4 -9 6 7 2507.40 330.338 9 -9 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143.070 7 9 -6 20 1044.62 200.175 6 9 -6 21-215.073 124.860 6 9 -6 22 553.197 124.343 6 -9 7 23 104.697 85.1039 9 -9 7 22 516.182 129.843 9 -9 7 21 1311.05 218.694 9 -9 -7 21 1068.77 166.734 5 -9 7 20 767.935 186.343 9 -9 -7 20 1025.30 183.163 5 -9 -7 19 123.434 114.695 5 -9 -7 18 165.520 150.837 5 -9 -7 17-118.904 122.650 5 -9 -7 17-135.194 189.799 4 -9 -7 16 5796.93 539.757 4 -9 -7 16 5486.13 450.311 5 -9 -7 15 623.804 210.269 5 -9 -7 15 1217.15 281.260 4 -9 -7 14 2508.06 330.642 5 -9 -7 14 2679.13 383.073 4 -9 -7 13 1972.57 320.602 5 -9 -7 13 2711.73 398.497 4 -9 7 12 9050.74 656.766 9 -9 -7 12 10928.3 734.105 4 -9 -7 12 10783.4 663.071 5 -9 -7 11 823.549 229.140 5 -9 -7 11 1172.37 262.120 4 -9 -7 10 11271.4 733.170 4 -9 7 10 9551.61 651.650 9 -9 7 9 2446.73 347.980 9 -9 -7 9 2930.25 387.347 4 -9 7 8 3409.21 656.172 2 -9 -7 8 3546.86 409.709 4 -9 7 8 3415.95 389.880 9 -9 -7 7 4295.81 441.524 4 -9 7 7 3641.12 382.450 9 -9 7 6 2211.66 315.297 9 -9 7 6 2182.84 514.105 2 -9 -7 6 2541.22 339.562 4 -9 -7 5 10186.4 651.201 4 -9 7 5 10873.9 1182.10 2 -9 7 5 9889.34 605.107 9 -9 7 4 4226.71 753.310 2 -9 -7 4 4380.33 423.181 4 -9 7 4 4918.71 434.193 9 -9 7 3 4677.45 799.311 2 -9 -7 3 4306.64 415.829 4 -9 7 3 4394.18 407.129 9 -9 7 2 188.402 148.987 9 -9 -7 2 266.149 162.841 4 -9 7 2 582.434 331.285 2 -9 7 1 402.056 165.781 9 -9 -7 1 241.786 159.617 8 -9 7 1 20.8955 338.448 2 -9 -7 1 485.596 186.782 4 -9 7 0 1493.75 240.863 9 -9 -7 0 1085.70 253.471 8 -9 7 0 1647.99 507.022 2 -9 -7 -1 3004.20 405.072 8 -9 7 -1 2950.27 625.242 2 -9 -7 -2 3674.68 433.341 8 -9 7 -2 3034.18 654.726 2 -9 -7 -3 5784.52 549.976 8 -9 7 -3 6584.43 954.327 2 -9 -7 -4 3998.99 464.875 8 -9 7 -4 4208.78 790.874 2 -9 -7 -5 377.183 238.545 8 -9 7 -5-34.8804 279.049 2 -9 -7 -6 973.357 254.623 8 -9 7 -6 1789.88 538.242 2 -9 -7 -7-3.92315 197.763 8 9 -7 7 139.936 171.260 6 -9 -7 -8 607.396 245.749 8 9 -7 8 718.490 241.844 6 -9 -7 -9 4543.60 543.514 8 9 -7 9 3623.28 427.639 6 -9 -7 -10 8787.37 719.150 8 9 -7 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261.587 8 -9 -8 -6-1.40531 164.636 8 9 -8 6 249.383 197.758 6 -9 -8 -7 394.424 215.115 8 9 -8 7 492.490 196.954 6 9 -8 8 4419.40 457.361 6 -9 -8 -8 6269.51 616.292 8 -9 -8 -9 498.865 229.325 8 9 -8 9 203.028 145.576 6 9 -8 10-68.5343 123.658 5 -9 -8 -10 168.512 170.684 8 9 -8 10 111.953 158.947 6 -9 -8 -11 4803.84 527.393 8 9 -8 11 3647.59 404.798 6 9 -8 11 3855.92 365.916 5 -9 -8 -12 6011.49 589.335 8 9 -8 12 4927.65 436.112 6 9 -8 12 4909.13 402.208 5 9 -8 13-102.764 138.806 5 -9 -8 -13 156.096 185.873 8 9 -8 13-110.963 126.512 6 -9 -8 -14 372.650 202.067 8 9 -8 14 36.2396 130.348 6 -9 -8 -15 6369.88 527.630 8 9 -8 15 4581.31 357.428 6 -9 -8 -16 5668.37 470.546 8 9 -8 16 4208.09 313.689 6 -9 -8 -17 302.682 153.290 8 9 -8 17 340.946 110.516 6 -9 -8 -18-149.921 112.396 8 -9 9 16 122.229 83.4731 9 -9 9 15-64.0980 97.3693 9 -9 -9 15 75.2286 117.110 4 -9 9 14 308.516 99.4472 9 -9 -9 14-49.5931 124.724 4 -9 9 13 72.8181 94.0212 9 -9 -9 13 143.835 119.723 4 -9 -9 12 4633.68 423.318 4 -9 9 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10061.6 599.437 5 -10 -2 16 240.360 112.484 11 -10 2 16 97.1522 133.032 11 -10 2 16 157.871 171.775 2 -10 -2 16 293.427 117.637 5 -10 2 15 971.695 327.507 2 -10 -2 15 686.232 145.562 11 -10 2 15 992.363 221.451 11 -10 -2 15 674.492 166.069 5 -10 2 14 2344.13 481.039 2 -10 2 14 3062.86 346.957 11 -10 -2 14 3087.76 299.986 11 -10 -2 13 6662.05 424.603 11 -10 2 13 6778.53 488.839 11 -10 2 13 7203.70 832.818 2 -10 2 12 24465.7 880.872 11 -10 -2 12 23118.8 764.100 11 -10 2 12 22500.8 1426.93 2 -10 2 11 16920.1 714.868 11 -10 -2 11 16823.8 629.039 11 -10 2 11 16074.1 1171.79 2 -10 2 10 22920.8 799.069 11 -10 2 10 21603.1 1324.82 2 -10 2 9 4884.28 620.266 2 -10 2 9 5570.01 381.213 11 -10 2 8 5572.86 640.587 2 -10 2 7 7587.31 741.103 2 -10 2 6 23620.7 1266.31 2 -10 2 5 818.786 257.357 2 -10 2 4 2658.46 425.139 2 -10 2 3 6981.61 665.822 2 -10 2 2 51144.4 1764.14 2 -10 2 1 1619.44 325.182 2 -10 2 0 4371.75 519.761 2 -10 2 -1 5200.72 564.676 2 -10 2 -2 66426.4 2018.41 2 -10 2 -3 33314.6 1440.94 2 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1480.71 270.807 6 -10 2 -12 1011.73 239.415 9 -10 -2 -12 1116.21 334.950 3 -10 2 -13 1413.36 198.440 7 10 -2 13 1366.97 259.072 6 10 2 13 1456.38 238.754 6 -10 2 -13 1592.87 303.297 9 -10 -2 -13 1169.37 387.915 3 -10 2 -14 2361.05 358.259 9 -10 2 -14 2340.23 267.781 7 10 2 14 2426.40 293.299 6 10 -2 14 2237.46 337.452 6 10 2 14 2687.48 476.708 1 -10 -2 -14 1674.16 441.560 3 -10 2 -15-53.3904 133.450 7 10 -2 15 264.203 172.399 6 -10 2 -15-61.4801 155.865 9 10 2 15 122.868 126.337 6 -10 -2 -15-113.917 255.595 3 -10 2 -16 10544.0 550.233 7 10 2 16 10314.5 595.265 6 -10 -2 -16 10524.4 1061.70 3 -10 2 -16 9524.56 712.400 9 10 -2 16 10145.4 699.595 6 -10 2 -17 4976.09 401.629 7 10 2 17 4030.89 385.348 6 10 -2 17 4588.50 481.062 6 -10 2 -17 4173.55 507.513 9 -10 2 -18 321.201 155.033 7 10 2 18 65.5645 144.911 6 10 -2 18 249.969 193.136 6 -10 2 -19 1076.08 199.396 7 10 2 19 1094.60 216.654 6 10 -2 19 1401.40 317.810 6 10 -2 20 1865.00 324.606 6 -10 2 -20 1979.41 249.342 7 10 2 20 2109.19 283.144 6 -10 2 -21 435.014 143.758 7 10 -2 21 673.107 226.430 6 10 2 21 528.442 186.619 6 -10 2 -22 76.9040 112.560 7 10 -2 22 318.996 164.763 6 10 2 22 78.9500 124.109 6 10 2 23 1534.66 216.864 6 10 -2 23 2011.62 280.871 6 10 2 24 684.466 132.706 6 10 -2 24 768.874 177.828 6 10 2 25 103.406 84.6498 6 10 -2 25-30.2196 96.0332 6 10 -2 26 2654.61 225.477 6 -10 3 28 1962.83 214.488 11 -10 3 27 372.703 142.793 11 -10 3 26-71.1357 130.785 11 -10 3 25 1459.82 260.577 11 -10 3 24 3206.15 376.667 11 -10 3 23 26.7933 157.189 11 -10 3 22 936.256 262.711 11 -10 3 21-210.568 178.868 11 -10 3 20 682.745 211.560 11 -10 3 19 578.837 229.554 11 -10 -3 19 648.907 215.174 5 -10 3 18 3640.16 429.358 11 -10 3 18 3948.71 696.286 2 -10 -3 18 3600.35 376.514 5 -10 3 17 45.9595 143.078 11 -10 3 17 163.573 237.707 2 -10 -3 17-0.93769 150.617 5 -10 -3 16 125.221 113.625 5 -10 3 16 420.038 218.838 2 -10 3 16 383.768 190.617 11 -10 -3 15 361.996 143.978 5 -10 3 15 723.248 315.880 2 -10 3 15 484.287 188.808 11 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3 -13 239.264 136.684 7 10 -3 13 389.907 194.971 6 -10 3 -13 300.360 181.853 9 -10 -3 -13-99.1258 265.224 3 10 -3 14 3640.67 440.982 6 -10 3 -14 3894.36 329.288 7 10 3 14 3912.67 341.756 6 -10 3 -14 3924.53 440.977 9 -10 -3 -14 3367.27 650.094 3 -10 3 -15 1250.90 212.835 7 10 3 15 1272.06 202.619 6 10 -3 15 1593.40 332.573 6 -10 3 -15 1054.88 262.743 9 -10 -3 -15 1158.88 346.762 3 10 3 15 1083.47 341.062 1 -10 3 -16 3843.29 350.702 7 10 3 16 4216.33 366.970 6 10 -3 16 4273.54 496.306 6 -10 3 -16 3382.33 426.602 9 -10 -3 -16 4013.56 704.285 3 -10 3 -17 307.596 140.851 7 10 3 17 522.426 192.174 6 -10 3 -17 203.961 164.495 9 10 -3 17 554.743 248.095 6 -10 3 -18 2019.17 264.971 7 10 3 18 2035.98 267.731 6 10 -3 18 2422.33 379.574 6 -10 3 -19 386.062 159.028 7 10 -3 19 363.259 207.863 6 10 3 19 344.064 136.260 6 -10 3 -20 551.809 164.674 7 10 3 20 884.631 185.467 6 10 -3 20 943.294 247.151 6 -10 3 -21 882.075 176.634 7 10 3 21 754.625 158.317 6 10 -3 21 875.970 227.311 6 -10 3 -22 117.168 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261.135 3 -11 2 -11 4372.33 341.193 7 -11 -2 -11 4471.73 478.633 9 -11 2 -11 5115.22 467.821 9 -11 -2 -11 4143.15 658.233 3 11 -2 11 4563.88 430.113 6 -11 2 -12 229.142 137.806 7 -11 -2 -12 166.750 163.185 9 11 -2 12 74.8967 139.872 6 -11 2 -12 78.6483 142.889 9 -11 -2 -12 44.6970 196.983 3 -11 2 -13 1541.38 215.703 7 11 2 13 1542.17 221.971 6 11 -2 13 1441.17 302.074 6 -11 2 -13 1824.73 322.246 9 -11 -2 -13 1200.15 396.496 3 -11 2 -14 6237.76 438.003 7 11 2 14 6673.83 452.707 6 11 -2 14 6875.27 578.499 6 -11 2 -14 6335.62 568.950 9 -11 -2 -14 6191.98 851.739 3 -11 2 -15 2441.32 279.580 7 11 2 15 2587.47 301.492 6 11 -2 15 2536.30 361.755 6 -11 2 -15 2515.39 393.805 9 -11 -2 -15 2294.66 534.278 3 -11 2 -16 14.7434 128.881 7 11 2 16 86.4546 132.555 6 11 -2 16-241.410 202.930 6 -11 2 -16 50.5833 190.077 9 11 2 17 793.870 201.233 6 -11 2 -17 840.832 200.591 7 11 -2 17 973.702 258.674 6 -11 2 -17 776.459 274.483 9 -11 2 -18 1468.38 229.975 7 11 2 18 1339.32 233.273 6 -11 2 -19 15815.1 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437.993 10 -11 3 -7 6974.50 474.354 9 11 -3 7 6917.87 490.195 6 -11 -3 -7 7085.28 860.741 3 -11 -3 -7 6395.49 505.739 9 -11 3 -8 15488.6 566.971 7 -11 -3 -8 15434.6 667.471 10 11 -3 8 15087.1 739.840 6 -11 -3 -8 13841.6 1225.57 3 -11 -3 -8 15727.8 820.444 9 -11 3 -8 15629.0 717.701 9 -11 3 -9 6047.11 370.103 7 11 -3 9 5715.28 478.992 6 -11 -3 -9 6097.88 834.531 3 -11 -3 -9 6065.13 421.207 10 -11 3 -9 5911.72 465.007 9 -11 -3 -10-100.336 123.259 10 -11 3 -10 68.2731 94.1960 7 11 -3 10 178.773 160.707 6 -11 3 -10 119.834 139.708 9 -11 -3 -10 222.768 233.143 3 -11 3 -11 1665.93 215.999 7 -11 -3 -11 2597.10 307.235 10 11 -3 11 1983.18 300.874 6 -11 3 -11 1944.25 302.456 9 -11 -3 -11 1753.85 474.740 3 -11 3 -12 22077.7 760.620 7 -11 -3 -12 23263.2 851.863 10 -11 -3 -12 22676.2 1663.45 3 11 -3 12 21249.0 980.296 6 -11 3 -12 21362.2 956.771 9 -11 3 -13 7551.35 458.787 7 -11 3 -13 7551.61 593.175 9 11 -3 13 6812.71 579.494 6 -11 -3 -13 5936.64 827.981 3 -11 3 -14 4282.36 353.962 7 11 -3 14 4471.77 493.689 6 -11 3 -14 3896.21 457.416 9 -11 -3 -14 4182.43 699.469 3 -11 3 -15 24.2088 147.405 7 11 -3 15 102.979 177.776 6 -11 3 -15-62.3209 169.348 9 -11 3 -16-94.9092 146.223 7 11 -3 16-151.555 187.974 6 -11 3 -16-92.9475 211.231 9 -11 3 -17 6707.87 447.396 7 11 3 17 6397.50 421.450 6 -11 3 -17 5626.84 554.939 9 11 -3 17 6931.33 589.496 6 -11 3 -18 1034.94 209.282 7 11 -3 18 1075.15 287.659 6 11 3 18 1208.35 207.197 6 -11 3 -19 556.956 161.033 7 11 3 19 394.318 125.319 6 11 -3 19 750.722 250.959 6 -11 3 -20 1017.31 194.262 7 11 -3 20 943.693 246.835 6 11 3 20 951.677 171.645 6 11 3 21 7531.51 396.427 6 11 -3 21 8519.95 559.144 6 11 -3 22 278.864 142.829 6 11 3 22 126.166 74.8200 6 11 -3 23 1430.25 216.770 6 11 -3 24 135.630 98.5620 6 11 -3 25-194.059 88.4767 6 -11 4 27 96.2729 75.0181 11 -11 4 26 74.7315 74.9348 9 -11 4 26-52.0568 92.2698 11 -11 4 25 123.861 94.3860 9 -11 4 25 380.841 145.225 11 -11 4 24 4470.55 390.329 11 -11 4 23 185.313 151.210 11 -11 4 22 2576.07 346.212 11 -11 4 21-76.1381 143.528 11 -11 4 20 1295.81 271.460 11 -11 4 19 4078.53 438.487 11 -11 -4 19 4472.05 401.419 5 -11 4 18 5977.40 534.707 11 -11 -4 18 5059.28 421.101 5 -11 4 17 1300.18 286.734 11 -11 4 16 1377.79 286.824 11 -11 4 16 2832.86 576.507 2 -11 -4 15 329.953 191.005 4 -11 4 15 843.231 377.562 2 -11 4 15 401.473 189.459 11 -11 -4 14-152.798 172.130 4 -11 4 14-37.4122 142.398 11 -11 4 13 82.5406 160.567 2 -11 -4 13 9.47359 155.784 4 -11 4 13 16.0434 142.581 11 -11 4 12 420.272 255.083 2 -11 4 12 509.456 189.740 11 -11 -4 12 201.910 124.731 4 -11 -4 11 3121.46 362.442 4 -11 4 11 2716.31 595.985 2 -11 4 11 3029.86 344.693 11 -11 4 10 132.693 258.790 2 -11 4 10 81.9943 116.141 11 -11 -4 10 16.8541 113.768 4 -11 4 9 954.274 342.731 2 -11 4 9 336.902 138.818 11 -11 -4 9 971.649 199.278 4 -11 -4 8 20291.6 758.617 4 -11 4 8 21198.3 786.321 11 -11 4 8 21137.4 1468.11 2 -11 4 7 2415.74 265.389 11 -11 4 7 2186.21 300.091 9 -11 -4 7 2404.24 256.660 4 -11 4 6 2414.91 295.739 9 -11 4 6 2416.51 506.706 2 -11 4 6 1800.89 226.086 11 -11 -4 6 2311.05 241.572 4 -11 4 5 1536.68 252.992 9 -11 4 5 1540.46 196.847 11 -11 -4 5 1853.62 220.515 4 -11 4 4 8351.93 905.944 2 -11 -4 4 8085.10 420.152 4 -11 4 4 8054.99 440.763 11 -11 4 4 8076.67 502.498 9 -11 4 3 1676.84 408.618 2 -11 4 3 1609.09 239.788 9 -11 4 3 1421.78 194.610 11 -11 -4 3 1294.07 170.082 4 -11 -4 3 1471.60 220.404 10 -11 -4 2 3465.80 265.913 4 -11 -4 2 3849.01 329.271 10 -11 4 2 3639.09 289.182 11 -11 4 2 3610.53 339.444 9 -11 4 2 3403.45 576.749 2 -11 4 1 20558.0 1403.12 2 -11 -4 1 20397.2 729.666 10 -11 4 1 20067.5 757.078 9 -11 4 0 8600.24 924.518 2 -11 -4 0 7792.02 454.625 10 -11 4 0 8484.41 497.591 9 -11 4 -1 5556.73 747.307 2 -11 -4 -1 4987.81 362.816 10 -11 4 -1 5046.52 385.212 9 -11 4 -2 8312.11 913.988 2 -11 -4 -2 9753.29 505.438 10 -11 4 -2 9963.35 531.664 9 -11 -4 -3 1663.46 213.633 10 -11 4 -3 2060.83 485.000 2 -11 4 -3 1980.80 253.053 9 -11 -4 -4 204.962 101.240 10 -11 4 -4 47.0112 265.991 2 -11 4 -4 356.040 141.309 9 -11 -4 -5 2779.14 291.427 10 -11 4 -5 2887.73 559.876 2 -11 4 -5 2811.17 297.970 9 -11 4 -6 53783.4 2408.31 2 -11 4 -6 57726.1 1024.71 7 -11 -4 -6 57387.8 2571.54 3 -11 4 -6 55641.1 1302.21 9 -11 4 -7 1231.08 161.025 7 -11 4 -7 1638.79 457.622 2 11 -4 7 1092.62 235.680 6 -11 -4 -7 1552.65 465.172 3 -11 4 -7 1722.18 256.127 9 -11 4 -8 2445.37 568.938 2 -11 4 -8 3329.18 275.535 7 11 -4 8 3634.54 396.300 6 -11 4 -8 3871.47 376.363 9 -11 -4 -8 3798.90 692.519 3 -11 4 -9 2666.88 600.681 2 -11 4 -9 2654.02 253.106 7 11 -4 9 2111.20 324.933 6 -11 -4 -9 2756.44 637.280 3 -11 4 -9 2747.19 333.343 9 -11 4 -10 57840.9 1161.57 7 11 -4 10 57524.9 1583.72 6 -11 -4 -10 61065.1 2818.33 3 -11 4 -10 56617.6 1463.57 9 -11 4 -11 15343.2 626.756 7 11 -4 11 15800.4 857.922 6 -11 -4 -11 17373.5 1519.96 3 -11 4 -11 15268.6 781.522 9 -11 4 -12 1265.76 213.215 7 11 -4 12 1410.92 292.774 6 -11 4 -12 1197.27 243.960 9 -11 -4 -12 1139.65 399.411 3 -11 4 -13 849.436 184.892 7 11 -4 13 823.032 251.385 6 -11 4 -13 763.225 218.303 9 -11 -4 -13 836.359 377.920 3 -11 4 -14 496.395 163.455 7 11 -4 14 186.817 161.992 6 -11 4 -14 498.665 166.557 9 -11 -4 -14 66.9517 236.783 3 -11 4 -15-136.227 125.346 7 11 -4 15 46.5023 180.097 6 -11 4 -15 158.073 153.933 9 -11 4 -16 4003.62 354.280 7 11 -4 16 4285.97 480.200 6 -11 4 -16 3935.69 428.839 9 -11 4 -17 712.576 183.045 7 11 -4 17 1145.54 275.786 6 -11 4 -17 697.032 194.332 9 -11 4 -18 163.467 136.472 7 11 -4 18 428.233 211.441 6 -11 4 -19 9859.35 512.166 7 11 -4 19 9501.22 638.526 6 -11 4 -20 3727.92 322.410 7 11 -4 20 3674.25 390.234 6 11 -4 21 781.211 208.720 6 11 -4 22 416.503 136.888 6 11 -4 23 53.9238 84.5661 6 11 -4 24 607.697 118.567 6 -11 5 25 471.809 128.046 9 -11 5 25 432.041 109.492 11 -11 5 24 428.384 123.423 9 -11 5 24 156.170 98.0414 11 -11 5 23 898.640 192.387 9 -11 5 23 995.657 194.806 11 -11 5 22 1830.37 262.431 11 -11 5 21 11471.2 636.792 11 -11 5 20 1483.29 272.309 11 -11 5 19 5671.68 480.262 11 -11 5 18 2547.08 345.124 11 -11 5 17 546.966 198.447 11 -11 -5 16 2453.79 369.246 4 -11 5 16 1692.69 278.463 11 -11 -5 15-43.8758 173.291 4 -11 5 15 315.561 187.119 11 -11 -5 14 1108.10 261.519 4 -11 5 14 926.328 216.530 11 -11 5 14 1311.64 472.975 2 -11 5 13 95.6660 166.352 2 -11 -5 13 136.385 167.214 4 -11 5 13 144.367 139.083 11 -11 -5 12 5495.40 500.032 4 -11 5 12 6669.73 909.163 2 -11 -5 11 4205.92 426.068 4 -11 5 11 4816.52 781.079 2 -11 5 11 3865.19 376.857 11 -11 -5 10 3879.99 402.111 4 -11 5 10 4364.34 737.172 2 -11 5 10 4563.13 386.474 11 -11 -5 9 8652.51 557.774 4 -11 5 9 7546.98 484.215 11 -11 5 9 7326.72 559.388 9 -11 -5 8 9097.49 560.670 4 -11 5 8 10316.9 1109.27 2 -11 5 8 8236.14 489.655 11 -11 5 8 9143.18 624.001 9 -11 -5 7 7470.02 489.880 4 -11 5 7 7750.70 940.922 2 -11 5 7 8092.99 474.724 11 -11 5 7 7493.88 552.374 9 -11 -5 6 31890.7 979.878 4 -11 5 6 33379.9 1946.88 2 -11 5 6 31935.3 1089.22 9 -11 5 5 4724.09 762.530 2 -11 -5 5 4458.54 369.255 4 -11 5 5 4331.67 399.199 9 -11 5 4 7916.99 938.446 2 -11 -5 4 8341.66 484.271 4 -11 5 4 8767.32 554.916 9 -11 5 3 161.103 188.491 2 -11 5 3 324.517 146.651 9 -11 -5 3 425.537 145.758 4 -11 5 2 1025.40 220.161 9 -11 -5 2 982.763 197.218 8 -11 -5 2 1043.22 187.804 4 -11 5 2 614.358 314.330 2 -11 5 1 343.071 158.993 9 -11 -5 1 277.478 133.338 8 -11 5 1 99.3940 179.369 2 -11 -5 0 15412.9 686.651 8 -11 5 0 15054.0 1309.84 2 -11 -5 0 13984.6 629.990 10 -11 5 0 15245.3 704.248 9 -11 5 -1 340.953 155.822 9 -11 -5 -1 126.570 114.299 8 -11 5 -1 46.6507 209.402 2 -11 -5 -2 5010.92 407.595 8 -11 5 -2 3921.57 701.173 2 -11 5 -2 4422.37 383.485 9 -11 5 -3 18441.2 1472.33 2 -11 5 -3 17472.3 744.961 9 -11 5 -4 54107.3 2550.45 2 -11 5 -4 51729.3 1280.31 9 -11 5 -5 9285.27 1082.76 2 -11 5 -5 8306.42 528.105 9 -11 5 -6 8334.28 1014.62 2 -11 5 -6 8895.69 543.744 9 -11 5 -7 2495.31 564.033 2 -11 5 -7 2995.73 344.023 9 11 -5 7 2471.24 351.502 6 -11 5 -8 39530.1 2268.92 2 -11 5 -8 40357.4 916.503 7 11 -5 8 39637.2 1313.84 6 -11 -5 -8 39936.1 2348.15 3 -11 5 -8 40162.1 1186.51 9 -11 5 -9 3633.55 295.547 7 -11 5 -9 3701.87 682.557 2 -11 5 -9 4509.62 424.891 9 11 -5 9 3543.15 428.952 6 -11 -5 -9 5049.58 863.475 3 -11 5 -10 296.123 116.331 7 -11 5 -10 57.4539 287.539 2 11 -5 10 122.692 172.645 6 -11 5 -10 134.949 141.670 9 -11 -5 -10 161.147 264.958 3 -11 5 -11 677.588 154.238 7 -11 5 -11 1177.26 452.729 2 11 -5 11 839.534 247.502 6 -11 5 -11 708.220 207.992 9 -11 5 -12 15059.7 623.295 7 -11 5 -12 15307.5 769.976 9 11 -5 12 14799.9 861.953 6 -11 -5 -12 17064.9 1520.88 3 -11 5 -13 5598.61 391.193 7 -11 5 -13 5291.30 473.434 9 11 -5 13 5940.10 554.687 6 -11 5 -14 720.834 161.439 7 11 -5 14 966.394 279.686 6 -11 5 -15 497.381 145.812 7 11 -5 15 510.016 230.253 6 -11 5 -16 3286.62 307.357 7 11 -5 16 2888.48 390.316 6 -11 5 -17 3010.87 299.015 7 11 -5 17 3037.53 393.465 6 -11 5 -18 3232.35 297.054 7 11 -5 18 2611.96 356.814 6 11 -5 19 4001.08 390.012 6 11 -5 20 448.030 183.964 6 11 -5 21 296.091 129.163 6 11 -5 22 411.271 124.550 6 11 -5 23 595.766 125.074 6 -11 6 24 236.486 96.9604 9 -11 6 23 1989.34 239.694 9 -11 6 22-64.2990 107.542 9 -11 6 22 3.36078 75.1853 11 -11 6 21-304.932 163.783 9 -11 6 21-35.7764 87.7466 11 -11 6 20 3011.06 353.604 9 -11 6 20 2646.75 273.678 11 -11 6 19 4731.13 463.359 9 -11 6 19 5347.26 389.444 11 -11 6 18 1719.60 242.483 11 -11 6 17 1680.12 249.436 11 -11 -6 16 681.963 241.219 4 -11 6 16 875.529 199.365 11 -11 -6 15-18.0060 186.554 4 -11 6 15-62.1345 129.515 11 -11 6 14 935.317 194.379 11 -11 -6 14 1177.47 263.319 4 -11 6 13 748.274 231.762 9 -11 -6 13 707.789 230.147 4 -11 6 12 3059.60 410.484 9 -11 -6 12 3788.88 437.465 4 -11 6 11 3067.92 403.526 9 -11 -6 11 3799.49 436.090 4 -11 -6 10 25748.1 1041.74 4 -11 6 10 26093.5 1102.87 9 -11 6 9 1581.40 309.328 9 -11 6 9 2177.66 559.329 2 -11 -6 9 2069.93 307.710 4 -11 6 8-57.6449 156.665 9 -11 6 8-142.538 320.752 2 -11 -6 8 77.7797 130.526 4 -11 6 7 695.413 219.627 9 -11 6 7 685.405 334.692 2 -11 -6 7 615.687 189.584 4 -11 6 6-109.084 148.028 9 -11 6 6-150.556 195.302 2 -11 -6 6-86.3216 119.094 4 -11 -6 5 10677.0 619.178 4 -11 6 5 11356.8 1201.89 2 -11 6 5 10945.7 660.318 9 -11 -6 4 10546.7 599.559 4 -11 6 4 10156.3 1131.79 2 -11 6 4 11122.6 658.568 9 -11 6 3 5903.47 859.266 2 -11 -6 3 5380.91 426.717 4 -11 6 3 5920.96 480.939 9 -11 6 2 2269.65 520.249 2 -11 6 2 2344.94 313.499 9 -11 -6 2 2186.00 301.504 8 -11 -6 2 2794.83 316.506 4 -11 6 1 58.2434 150.509 9 -11 -6 1-8.39784 117.957 8 -11 -6 1 57.7521 107.819 4 -11 6 1-23.1791 219.333 2 -11 -6 0 11290.5 664.498 8 -11 6 0 11899.0 1245.90 2 -11 6 0 10688.9 614.729 9 -11 -6 -1 9888.37 626.415 8 -11 6 -1 8272.40 1031.33 2 -11 6 -1 9977.13 588.557 9 -11 -6 -2 6106.46 504.319 8 -11 6 -2 5434.03 438.122 9 -11 6 -2 5133.99 840.142 2 -11 -6 -3 12801.8 731.020 8 -11 6 -3 13437.3 1354.61 2 -11 6 -3 14455.3 697.544 9 -11 -6 -4 3801.99 421.193 8 -11 6 -4 3455.32 365.199 9 -11 6 -4 2466.68 571.452 2 -11 -6 -5 2779.42 380.468 8 -11 6 -5 1784.58 512.107 2 -11 6 -5 2388.56 300.224 9 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9 -11 7 11 591.409 216.409 9 -11 -7 11 174.383 147.799 4 -11 7 10 959.548 261.201 9 -11 -7 10 822.662 224.608 4 -11 7 9 824.678 223.362 9 -11 -7 9 1070.44 263.691 4 -11 7 8 1838.15 302.276 9 -11 -7 8 2058.69 328.561 4 -11 -7 7 3101.16 367.497 4 -11 7 7 3515.95 394.165 9 -11 -7 6 3785.40 410.477 4 -11 7 6 4521.89 437.191 9 -11 7 5 224.177 172.674 9 -11 -7 5 86.7430 163.264 4 -11 7 4-1.94790 133.053 9 -11 -7 4-117.983 144.556 4 -11 7 3 1899.74 307.113 9 -11 7 3 2305.97 582.130 2 -11 -7 3 1771.78 289.492 4 -11 7 2 768.939 216.699 9 -11 7 2 473.034 274.775 2 -11 -7 2 535.480 193.818 4 -11 7 1 464.865 143.937 9 -11 7 1 567.115 319.464 2 -11 -7 1 666.923 205.543 8 -11 -7 1 970.403 226.932 4 -11 -7 0 4593.51 472.120 8 -11 -7 0 5782.10 471.556 4 -11 7 0 5990.18 465.429 9 -11 7 0 5779.06 885.919 2 -11 -7 -1 9974.89 693.636 8 -11 7 -1 12160.7 1303.23 2 -11 -7 -1 11639.6 653.318 4 -11 7 -1 10954.2 604.186 9 -11 -7 -2 6103.17 557.933 8 -11 7 -2 5571.86 437.875 9 -11 -7 -3 56.4245 157.549 8 -11 7 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477.708 7 12 -3 16 6800.47 587.513 6 -12 3 -17 306.235 135.616 7 12 -3 17 415.317 208.937 6 -12 3 -17 364.259 201.697 9 -12 3 -18 419.875 154.620 7 12 -3 18 760.184 240.821 6 12 -3 19 516.865 221.540 6 12 -3 20 36.6080 153.626 6 12 -3 21 187.616 137.300 6 12 -3 22 103.209 114.826 6 12 -3 23 129.195 95.2646 6 12 -3 24 218.877 95.2699 6 -12 4 26 6.26356 88.5648 11 -12 4 25 1120.12 177.800 9 -12 4 25 1144.87 197.515 11 -12 4 24 244.966 126.877 9 -12 4 24 340.427 135.929 11 -12 4 23 664.239 182.355 9 -12 4 23 734.840 207.575 11 -12 4 22 161.525 154.111 11 -12 4 21 2965.12 358.472 11 -12 4 20 129.357 156.095 11 -12 4 19 694.863 223.903 11 -12 4 18 88.9660 171.318 11 -12 4 17 2654.00 364.593 11 -12 4 16 905.275 237.700 11 -12 4 15 1942.24 508.071 2 -12 4 15 339.893 161.702 11 -12 -4 14-16.8347 146.523 4 -12 4 14 147.591 140.015 11 -12 -4 13 5361.26 470.617 4 -12 4 13 5309.14 798.453 2 -12 4 13 4325.05 431.405 11 -12 4 12 2092.90 532.579 2 -12 4 12 1537.40 281.072 11 -12 -4 12 2035.51 301.142 4 -12 -4 11 5954.87 467.422 4 -12 4 11 6478.91 888.999 2 -12 4 11 6029.88 487.345 11 -12 4 10 579.640 180.433 9 -12 4 10 1209.30 388.727 2 -12 -4 10 530.179 154.636 4 -12 4 10 808.035 207.410 11 -12 -4 9 21376.9 808.095 4 -12 4 9 19144.4 804.241 11 -12 4 9 22212.6 1558.79 2 -12 4 9 18905.9 857.367 9 -12 4 8 6.53195 119.442 9 -12 4 8 337.880 258.763 2 -12 -4 8 353.737 149.245 4 -12 4 8 128.298 131.211 11 -12 -4 7 24217.8 797.743 4 -12 4 7 25412.9 1652.34 2 -12 4 7 26732.1 897.760 11 -12 4 7 25700.9 962.925 9 -12 4 6 1243.43 229.322 9 -12 4 6 1588.09 439.983 2 -12 4 6 1151.08 205.049 11 -12 -4 6 1086.29 170.168 4 -12 4 5 74.3269 120.567 9 -12 4 5 219.905 215.664 2 -12 4 5 130.093 95.9871 11 -12 -4 4 1591.81 240.594 10 -12 4 4 1801.54 264.749 9 -12 4 4 2441.40 525.516 2 -12 4 4 1926.64 230.725 11 -12 4 3 16872.2 1302.41 2 -12 4 3 16969.8 662.458 11 -12 -4 3 16829.5 720.601 10 -12 4 3 17633.3 762.120 9 -12 4 2 12760.6 1123.63 2 -12 -4 2 11686.4 593.677 10 -12 4 2 11575.1 540.309 11 -12 4 2 11234.6 601.200 9 -12 4 1 680.416 165.344 9 -12 -4 1 853.119 182.322 10 -12 4 1 687.074 157.004 11 -12 4 0 377.331 139.554 9 -12 4 0 287.953 112.302 11 -12 -4 0 139.583 121.290 10 -12 4 0 42.8312 202.933 2 -12 4 -1 332.678 115.421 9 -12 4 -1 430.106 120.415 11 -12 -4 -1 155.357 103.192 10 -12 4 -1 362.774 206.104 2 -12 4 -2 3449.12 293.839 11 -12 -4 -2 3850.15 340.825 10 -12 4 -2 3896.79 359.884 9 -12 4 -2 3434.22 602.047 2 -12 4 -3 3097.67 280.586 11 -12 -4 -3 3703.88 332.184 10 -12 4 -3 3303.01 333.531 9 -12 4 -3 3552.81 620.913 2 -12 4 -4 1293.92 192.009 11 -12 -4 -4 1605.65 247.214 10 -12 4 -4 963.483 348.065 2 -12 4 -4 1260.18 223.316 9 -12 -4 -5 2418.69 276.370 10 -12 4 -5 2207.85 459.954 2 -12 4 -5 2011.04 274.568 9 -12 -4 -6 776.344 182.400 10 -12 4 -6 819.716 278.644 2 -12 4 -6 441.098 168.659 9 -12 4 -7 790.942 331.262 2 12 -4 7 1118.41 249.362 6 -12 4 -7 1044.52 231.727 9 -12 4 -8 301.912 120.630 7 -12 4 -8 168.334 215.245 2 12 -4 8 414.270 178.535 6 -12 4 -8 448.351 193.740 9 -12 4 -9 2787.37 272.243 7 -12 4 -9 2917.37 591.565 2 -12 4 -9 3213.76 372.833 9 12 -4 9 2932.85 379.812 6 -12 4 -10 282.498 113.909 7 12 -4 10 540.837 202.843 6 -12 4 -10 539.972 193.668 9 -12 4 -11 903.737 186.326 7 -12 -4 -11 377.046 319.672 3 -12 4 -11 763.963 399.798 2 12 -4 11 1051.09 245.127 6 -12 4 -11 1206.47 243.304 9 -12 4 -12 41.3640 117.497 7 -12 -4 -12 178.697 248.565 3 -12 4 -12 390.422 281.910 2 12 -4 12-157.574 192.301 6 -12 4 -12 288.608 182.195 9 -12 4 -13 5080.72 397.222 7 -12 -4 -13 5573.15 890.694 3 12 -4 13 4974.13 512.289 6 -12 4 -13 5262.84 493.788 9 -12 4 -14 218.372 151.229 7 12 -4 14 306.891 184.349 6 -12 4 -14-32.6608 148.576 9 -12 4 -15 1403.25 225.942 7 12 -4 15 1102.35 289.596 6 -12 4 -15 1272.22 285.217 9 -12 4 -16 490.710 166.330 7 12 -4 16 562.483 240.229 6 -12 4 -16 414.728 163.113 9 -12 4 -17 120.487 122.491 7 12 -4 17 229.960 180.511 6 -12 4 -17 373.803 180.182 9 12 -4 18 3.98313 161.812 6 12 -4 19 578.142 203.565 6 12 -4 20 553.267 196.493 6 12 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1725.38 257.399 11 -12 -5 9 12062.2 663.210 4 -12 5 9 11952.0 1205.02 2 -12 5 9 12924.0 645.893 11 -12 5 9 10722.3 690.885 9 -12 5 8 737.473 218.829 9 -12 5 8 293.359 188.314 2 -12 5 8 1001.72 182.294 11 -12 -5 8 957.983 201.074 4 -12 5 7 1887.53 318.658 9 -12 5 7 1597.83 457.968 2 -12 -5 7 1489.30 210.744 4 -12 5 7 1699.69 238.723 11 -12 -5 6 31400.6 975.595 4 -12 5 6 32314.0 1939.96 2 -12 5 6 30768.7 928.487 11 -12 5 6 29945.6 1088.86 9 -12 -5 5 15028.6 663.533 4 -12 5 5 17421.5 1416.92 2 -12 5 5 16283.4 791.820 9 -12 -5 4 51537.0 1200.52 4 -12 5 4 54624.3 2514.48 2 -12 5 4 51586.3 1393.84 9 -12 5 3 351.303 266.363 2 -12 5 3 461.187 190.484 9 -12 -5 3 366.684 141.153 4 -12 5 2 5989.43 840.399 2 -12 -5 2 5543.13 388.282 4 -12 5 2 5395.20 456.422 9 -12 5 1 1178.55 243.960 9 -12 -5 1 747.260 171.906 8 -12 -5 1 875.636 164.914 4 -12 5 1 1006.39 358.398 2 -12 -5 0 4316.13 371.410 8 -12 -5 0 4408.12 384.305 10 -12 5 0 4463.02 397.029 9 -12 5 0 3975.34 698.416 2 -12 5 -1 456.825 150.189 9 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350.018 6 12 -5 16-159.367 153.428 6 12 -5 17 270.570 193.722 6 12 -5 18 1034.91 225.948 6 12 -5 19-40.2651 130.633 6 12 -5 20 3621.21 332.913 6 12 -5 21 2169.76 233.652 6 12 -5 22-148.569 93.3587 6 -12 6 23 387.782 128.870 9 -12 6 22 3712.61 327.453 9 -12 6 21 144.134 106.974 9 -12 6 21 55.3620 78.0242 11 -12 6 20 1476.71 242.878 9 -12 6 20 1375.39 189.895 11 -12 6 19 2316.76 322.118 9 -12 6 19 2063.84 250.806 11 -12 6 18 944.239 244.388 9 -12 6 18 974.812 187.915 11 -12 6 17 342.715 174.208 9 -12 6 17 281.859 142.857 11 -12 6 16 208.484 196.781 9 -12 6 16 54.0266 110.070 11 -12 -6 15 7534.46 590.697 4 -12 6 15 7113.72 476.709 11 -12 6 15 7012.02 581.531 9 -12 6 14 402.160 212.620 9 -12 -6 14 717.033 204.756 4 -12 6 14 357.903 141.606 11 -12 6 13-220.464 204.196 9 -12 -6 13-181.658 159.945 4 -12 -6 12 5767.55 513.391 4 -12 6 12 5866.85 545.918 9 -12 6 11 1605.57 306.125 9 -12 -6 11 1588.56 299.200 4 -12 6 10 1502.63 302.422 9 -12 -6 10 1808.53 307.319 4 -12 6 9 73.2690 165.505 9 -12 6 9 400.120 302.581 2 -12 -6 9 115.965 137.919 4 -12 6 8 3303.45 413.481 9 -12 6 8 3012.81 628.513 2 -12 -6 8 3318.16 370.055 4 -12 -6 7 192.531 144.917 4 -12 6 7 315.030 192.617 9 -12 6 7 302.432 227.916 2 -12 -6 6 6539.61 490.791 4 -12 6 6 8385.40 1037.00 2 -12 6 6 7195.82 561.959 9 -12 6 5 1488.19 289.741 9 -12 6 5 1284.56 467.680 2 -12 -6 5 1259.86 231.990 4 -12 6 4 3699.92 707.747 2 -12 -6 4 3337.12 348.441 4 -12 6 4 3445.92 408.006 9 -12 -6 3 9134.22 553.348 4 -12 6 3 9481.85 1109.04 2 -12 6 3 9146.10 613.172 9 -12 6 2 2289.90 561.778 2 -12 6 2 2273.89 319.637 9 -12 -6 2 1658.44 261.948 8 -12 -6 2 2276.36 288.205 4 -12 6 1 86.9268 155.973 9 -12 -6 1-174.868 153.180 8 -12 -6 1-146.119 133.596 4 -12 6 0 510.800 175.037 9 -12 -6 0 423.310 190.063 8 -12 -6 0 663.799 184.139 4 -12 6 0 92.2605 216.041 2 -12 -6 -1 4585.10 444.085 8 -12 6 -1 4592.71 425.056 9 -12 6 -1 5475.84 877.768 2 -12 -6 -2 1453.09 277.888 8 -12 6 -2 1647.76 271.917 9 -12 -6 -3 1989.79 311.553 8 -12 6 -3 1854.64 514.760 2 -12 6 -3 1599.91 276.678 9 -12 -6 -4 2475.17 342.182 8 -12 6 -4 1991.93 518.677 2 -12 6 -4 2509.66 314.752 9 -12 -6 -5 3822.33 426.767 8 -12 6 -5 3995.76 390.657 9 -12 6 -5 3521.22 699.681 2 -12 -6 -6 627.773 220.472 8 -12 6 -6 774.919 281.873 2 -12 6 -6 592.021 186.942 9 12 -6 7 14716.8 839.492 6 -12 6 -7 16159.2 765.105 9 12 -6 8 9745.35 694.945 6 -12 6 -8 9304.20 588.879 9 12 -6 9 590.465 254.434 6 -12 6 -9 278.638 156.433 9 12 -6 10 1638.51 337.442 6 12 -6 11 864.704 260.883 6 12 -6 12 1270.45 289.044 6 12 -6 13 1383.87 282.630 6 12 -6 14 1866.47 325.906 6 12 -6 15 114.974 175.010 6 12 -6 16 237.089 177.580 6 12 -6 17 575.548 185.603 6 12 -6 18 6510.27 450.280 6 12 -6 19 2492.51 262.092 6 -12 -6 -20 610.884 153.455 8 12 -6 20 350.888 122.907 6 -12 7 21 61.3094 89.5771 9 -12 7 20 4297.06 343.729 9 -12 7 19 1395.95 217.066 9 -12 7 18 73.7352 138.837 9 -12 7 17 3230.17 356.547 9 -12 7 16-119.686 158.194 9 -12 7 15 126.538 149.772 9 -12 -7 15 412.611 178.367 4 -12 -7 14 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858.831 2 -13 3 11 7230.87 526.870 11 -13 3 11 6501.10 502.118 9 -13 3 10-69.2630 137.385 9 -13 3 10-190.638 193.239 2 -13 3 10-132.740 149.329 11 -13 3 9 15506.5 1258.37 2 -13 3 9 15772.2 749.901 11 -13 3 9 14512.0 723.255 9 -13 3 8 2331.59 495.507 2 -13 3 8 2570.22 295.831 11 -13 3 8 2752.49 326.467 9 -13 3 7 22985.6 1497.30 2 -13 3 7 21283.6 834.066 11 -13 3 7 20441.9 833.443 9 -13 3 6 672.458 185.617 9 -13 3 6 1081.16 317.113 2 -13 3 6 666.799 169.938 11 -13 -3 6 589.360 175.368 10 -13 3 5 3767.40 616.865 2 -13 3 5 3087.39 314.618 11 -13 -3 5 3014.39 323.549 10 -13 3 5 3236.49 332.749 9 -13 3 4 3138.56 560.090 2 -13 -3 4 3250.88 283.841 11 -13 -3 4 3710.17 356.020 10 -13 3 4 2973.35 312.627 11 -13 3 4 3385.49 344.099 9 -13 3 3 5145.37 677.498 2 -13 -3 3 5196.93 363.937 11 -13 3 3 5274.00 392.373 11 -13 -3 3 5693.50 426.118 10 -13 3 3 5525.54 425.735 9 -13 3 2 880.475 180.527 9 -13 3 2 718.717 296.726 2 -13 -3 2 1215.60 179.138 11 -13 3 2 698.826 152.339 11 -13 -3 2 995.268 198.778 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333.536 11 -13 5 7 1961.63 323.931 9 -13 5 7 1217.34 373.505 2 -13 -5 7 2215.33 282.669 4 -13 5 7 1943.74 266.494 11 -13 -5 6 16486.6 712.278 4 -13 5 6 17177.5 1436.93 2 -13 5 6 16362.5 703.713 11 -13 5 6 16667.8 838.466 9 -13 5 5 2869.68 361.607 9 -13 5 5 3305.44 660.313 2 -13 5 5 2668.14 290.316 11 -13 -5 5 2629.51 295.837 4 -13 -5 4 13045.6 598.308 4 -13 5 4 13279.9 1259.51 2 -13 5 4 12901.5 721.738 9 -13 -5 3 20740.6 751.181 4 -13 5 3 20652.8 1560.52 2 -13 5 3 20388.6 888.227 9 -13 5 2 468.584 212.557 9 -13 5 2 413.416 260.389 2 -13 -5 2 216.980 106.831 4 -13 5 1 8961.92 1041.99 2 -13 -5 1 9311.09 490.274 4 -13 5 1 9463.26 604.625 9 -13 5 0 14110.8 1302.94 2 -13 -5 0 14133.9 591.816 4 -13 -5 0 12449.0 673.536 10 -13 5 0 12834.2 692.996 9 -13 -5 -1 10142.1 569.590 8 -13 5 -1 8371.02 1021.32 2 -13 -5 -1 10301.2 604.076 10 -13 5 -1 9806.36 608.991 9 -13 -5 -2 9645.72 562.196 8 -13 5 -2 8400.71 994.565 2 -13 -5 -2 9668.02 577.073 10 -13 5 -2 8796.75 579.719 9 -13 -5 -3 7459.06 518.305 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735.747 2 -13 -6 4 3988.59 369.513 4 -13 6 4 4433.51 450.756 9 -13 6 3 710.688 225.929 9 -13 6 3 917.961 407.312 2 -13 -6 3 686.725 170.216 4 -13 6 2 2656.63 366.143 9 -13 6 2 2189.32 558.322 2 -13 -6 2 2958.47 315.794 4 -13 -6 1 3852.02 389.904 8 -13 -6 1 4353.43 372.743 4 -13 6 1 3985.41 411.627 9 -13 -6 0 10369.6 630.797 8 -13 -6 0 11349.5 590.927 4 -13 6 0 9771.81 619.296 9 -13 -6 -1 182.440 134.438 8 -13 -6 -1 264.755 150.721 4 -13 6 -1-196.244 232.006 2 -13 6 -1-145.600 162.132 9 -13 -6 -2 19033.5 867.021 8 -13 6 -2 20384.5 1631.48 2 -13 6 -2 17841.6 823.247 9 -13 -6 -3 397.726 174.652 8 -13 6 -3 231.760 266.066 2 -13 6 -3 510.380 204.413 9 -13 -6 -4 6734.85 534.738 8 -13 6 -4 6102.75 479.767 9 -13 -6 -5 4528.53 461.901 8 -13 6 -5 4466.47 427.742 9 -13 -6 -6 7396.55 576.756 8 13 -6 6 5930.78 540.749 6 -13 6 -6 5804.46 479.123 9 -13 -6 -7 2010.32 336.745 8 13 -6 7 1647.13 329.397 6 -13 6 -7 1863.20 289.426 9 -13 -6 -8 798.766 243.448 8 13 -6 8 676.115 257.500 6 -13 6 -8 523.708 200.108 9 13 -6 9 9724.26 697.140 6 -13 6 -9 9792.88 597.293 9 13 -6 10-61.5783 188.765 6 -13 6 -10-1.92542 151.059 9 13 -6 11 269.695 203.314 6 13 -6 12 2754.55 381.628 6 13 -6 13 4496.93 470.910 6 13 -6 14 524.876 198.831 6 13 -6 15 50.6809 145.598 6 13 -6 16 3918.33 387.203 6 13 -6 17 963.530 198.353 6 -13 -6 -18 1774.24 247.079 8 13 -6 18 1216.71 186.933 6 -13 -6 -19 1239.99 189.811 8 13 -6 19 983.623 163.227 6 -13 7 21 290.489 111.154 9 -13 7 20-12.9726 89.0385 9 -13 7 19 1193.56 203.101 9 -13 7 18 966.100 195.168 9 -13 7 17 3578.26 351.140 9 -13 7 16 432.589 176.841 9 -13 7 15 1153.36 231.922 9 -13 -7 14 4445.98 423.412 4 -13 7 14 4488.83 431.237 9 -13 7 13 136.796 147.835 9 -13 -7 13 38.1780 156.552 4 -13 7 12 438.860 207.779 9 -13 -7 12 424.647 187.685 4 -13 -7 11 6588.99 517.395 4 -13 7 11 6615.22 548.371 9 -13 -7 10 12106.2 692.191 4 -13 7 10 13190.4 750.422 9 -13 7 9 1653.65 308.481 9 -13 -7 9 1695.41 287.970 4 -13 7 8 1444.81 292.618 9 -13 -7 8 1515.75 269.334 4 -13 7 7 289.308 167.498 9 -13 -7 7 349.919 175.141 4 -13 7 6 574.471 221.798 9 -13 -7 6 384.336 178.764 4 -13 -7 5 6677.00 506.371 4 -13 7 5 7006.22 548.617 9 -13 7 4 99.0300 160.910 9 -13 -7 4-197.364 174.350 4 -13 -7 3 10369.6 609.558 4 -13 7 3 9452.88 615.219 9 -13 7 2 620.731 190.152 9 -13 -7 2 696.348 196.965 4 -13 -7 1 3288.54 357.211 4 -13 7 1 3207.34 377.862 9 -13 -7 0 3980.86 377.089 4 -13 7 0 3636.98 393.197 9 -13 -7 -1 1711.14 300.014 8 -13 -7 -1 2277.58 294.094 4 -13 7 -1 1907.28 298.002 9 -13 -7 -2 1644.39 267.381 4 -13 7 -2 1233.95 235.740 9 -13 -7 -3 4436.93 457.585 8 -13 -7 -3 4845.99 406.710 4 -13 7 -3 5153.97 436.082 9 -13 -7 -4 5306.37 500.487 8 -13 7 -4 6297.35 466.773 9 -13 -7 -5 839.199 244.401 8 13 -7 5 906.110 241.737 6 -13 7 -5 778.419 204.259 9 -13 -7 -6 391.499 183.922 8 13 -7 6 109.560 203.570 6 -13 -7 -7 608.602 217.598 8 13 -7 7 752.762 249.087 6 -13 -7 -8 973.409 277.030 8 13 -7 8 842.133 244.397 6 -13 -7 -9 4096.10 461.180 8 13 -7 9 3826.11 439.564 6 -13 -7 -10 254.535 193.435 8 13 -7 10 28.0780 157.585 6 -13 -7 -11 4706.40 469.653 8 13 -7 11 4354.02 445.204 6 -13 -7 -12 338.740 187.016 8 13 -7 12 61.4284 147.897 6 -13 -7 -13 422.317 188.231 8 13 -7 13-26.4143 139.780 6 -13 -7 -14 4622.62 417.900 8 13 -7 14 3616.42 358.556 6 -13 -7 -15 443.829 166.733 8 13 -7 15-61.6216 108.258 6 -13 -7 -16 2068.61 256.909 8 13 -7 16 1840.13 235.355 6 -13 -7 -17 2554.36 256.817 8 13 -7 17 2267.67 223.929 6 -13 8 18 29.1696 65.7896 9 -13 8 17 168.202 90.3540 9 -13 8 16 1515.14 210.124 9 -13 8 15 213.757 137.405 9 -13 8 14 89.7001 124.842 9 -13 -8 14 128.544 111.633 4 -13 -8 13 6153.92 447.450 4 -13 8 13 7356.21 476.928 9 -13 8 12 2504.97 296.179 9 -13 -8 12 2501.98 305.591 4 -13 -8 11 5351.32 433.479 4 -13 8 11 5328.70 431.163 9 -13 8 10 784.765 201.784 9 -13 -8 10 841.831 204.474 4 -13 8 9 137.719 132.363 9 -13 -8 9 239.913 153.267 4 -13 8 8 97.1657 135.278 9 -13 -8 8 106.618 123.496 4 -13 8 7 549.301 188.069 9 -13 -8 7 436.351 168.945 4 -13 8 6 496.946 167.776 9 -13 -8 6 644.263 214.117 4 -13 8 5 1154.35 222.672 9 -13 -8 5 1615.47 269.025 4 -13 -8 4 154.880 147.628 4 -13 8 4 543.810 164.378 9 -13 -8 3 779.536 195.164 4 -13 8 3 877.220 182.322 9 -13 -8 2 227.583 126.099 4 -13 8 2 286.449 155.064 9 -13 -8 1 417.011 160.938 4 -13 8 1 578.993 173.830 9 -13 -8 0 871.321 193.682 4 -13 8 0 614.214 182.594 9 -13 -8 -1 7879.06 520.243 4 -13 -8 -2 222.432 126.225 4 -13 -8 -3 4409.91 391.893 4 -13 -8 -4 390.134 165.658 8 -13 -8 -4 994.401 206.397 4 13 -8 4 668.287 231.328 6 -13 -8 -5 1004.01 219.994 8 -13 -8 -5 1490.44 238.421 4 13 -8 5 1039.87 265.178 6 -13 -8 -6 1112.92 243.391 8 -13 -8 -6 1732.10 247.007 4 13 -8 6 1746.15 305.578 6 -13 -8 -7-63.3748 155.227 8 -13 -8 -7 118.206 123.550 4 13 -8 7 152.440 157.424 6 -13 -8 -8 1340.49 276.575 8 -13 -8 -8 1303.18 200.122 4 13 -8 8 1270.43 269.994 6 -13 -8 -9 54.3009 129.291 8 -13 -8 -9 483.837 147.326 4 13 -8 9 145.120 132.182 6 -13 -8 -10 1068.07 223.206 8 -13 -8 -10 1773.69 217.572 4 13 -8 10 1208.48 231.276 6 -13 -8 -11 2231.29 299.257 8 -13 -8 -11 2636.03 239.593 4 13 -8 11 2527.13 297.085 6 -13 -8 -12 125.589 127.420 8 13 -8 12-60.0321 101.283 6 -13 -8 -13-21.5899 93.1261 8 13 -8 13-168.149 124.262 6 -13 -8 -14 506.994 134.850 8 13 -8 14 580.244 137.483 6 -13 9 12 4.94207 76.4813 9 -13 -9 12-145.479 82.4650 4 -13 9 11 1713.88 194.795 9 -13 -9 11 1745.93 212.204 4 -13 -9 10-50.4254 100.444 4 -13 9 10 0.54461 87.0257 9 -13 -9 9 2128.22 258.247 4 -13 9 9 2385.16 225.767 9 -13 -9 8 189.283 147.520 4 -13 9 8 138.686 83.1703 9 -13 -9 7 81.8610 126.591 4 -13 9 7-126.616 105.428 9 -13 -9 6 195.683 129.602 4 -13 -9 5 291.848 133.881 4 -13 -9 4 1187.99 210.765 4 -13 -9 3 234.473 138.613 4 -13 -9 2 955.337 187.286 4 -13 -9 1 440.560 129.003 4 -13 -9 0-98.4854 135.656 4 -13 -9 -1 266.976 113.224 4 13 -9 1 537.362 155.179 6 -13 -9 -2 2192.28 260.068 4 13 -9 2 1651.54 267.264 6 -13 -9 -3 3014.89 289.748 4 13 -9 3 2803.53 325.609 6 -13 -9 -4 25.0248 100.197 4 13 -9 4 141.495 150.386 6 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243.957 213.353 2 -14 0 10 4906.94 426.424 11 -14 0 10 4292.39 618.165 2 -14 0 9 43.3596 120.330 11 -14 0 9-88.0574 124.550 2 -14 0 9 12.8729 130.391 10 -14 0 8 42676.9 1174.87 11 -14 0 8 44373.6 1853.77 2 -14 0 8 42281.3 1119.95 10 -14 0 8 42023.7 1002.91 9 -14 0 7 87.5063 117.632 9 -14 0 7-15.3207 125.823 2 -14 0 7-207.654 139.358 11 -14 0 7 129.470 123.213 10 -14 0 6 5544.86 415.829 11 -14 0 6 5551.00 406.253 10 -14 0 6 5887.73 384.436 9 -14 0 5-162.370 126.262 9 -14 0 5-37.4246 128.787 2 -14 0 5-134.529 100.398 11 -14 0 5 23.3502 98.9954 10 -14 0 4 176488. 2278.91 11 -14 0 4 179533. 2197.91 10 -14 0 4 176526. 2084.66 9 -14 0 3 92.7472 129.828 11 -14 0 3 221.229 121.694 10 -14 0 3 16.8297 105.068 9 -14 0 2 14710.6 634.929 10 -14 0 2 15366.8 665.056 11 -14 0 2 13512.8 591.456 9 -14 0 1-47.4823 101.786 10 -14 0 1-125.201 137.647 11 -14 0 1 250.609 115.016 9 -14 0 0 16097.5 680.599 11 -14 0 0 18097.5 708.570 10 -14 0 0 18335.3 708.195 9 -14 0 -1 158.211 105.853 11 -14 0 -1 108.463 108.926 10 -14 0 -1 9.92925 117.026 9 -14 0 -2 5423.39 406.484 11 -14 0 -2 5024.80 393.177 10 -14 0 -2 5534.10 416.827 9 -14 0 -3 6.86468 106.684 11 -14 0 -3-217.927 140.199 10 -14 0 -3 148.537 135.886 9 -14 0 -4 720.468 168.445 11 -14 0 -4 915.150 215.595 9 -14 0 -5 60.6515 113.217 11 -14 0 -5-34.4697 114.021 9 -14 0 -6 868.188 197.827 11 -14 0 -6 847.435 219.016 9 -14 0 -7 75.1266 149.633 11 -14 0 -7 46.2054 138.970 9 -14 0 -8 6127.06 520.692 9 -14 0 -9 102.646 181.094 9 14 0 10 20794.5 777.724 6 -14 0 -10 19488.6 962.604 9 14 0 11-17.7052 126.492 6 -14 0 -11 277.028 236.934 9 14 0 12 5422.01 425.707 6 -14 0 -12 5968.21 581.171 9 14 0 13 49.7732 120.368 6 -14 0 -13 439.196 250.189 9 14 0 14 2459.50 307.263 6 -14 0 -14 2361.05 401.511 9 14 0 15 26.2266 131.075 6 -14 0 -15-164.583 210.157 9 14 0 16 679.174 196.495 6 14 0 17-76.3088 117.785 6 14 0 18 943.314 194.294 6 14 0 19-107.079 111.865 6 14 0 20 108.968 121.708 6 14 0 21 54.1392 92.5498 6 14 0 22-3.13868 85.1255 6 -14 0 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471.837 9 -14 1 13 591.091 177.129 9 -14 -1 13 815.620 175.461 11 -14 1 13 877.306 229.146 11 -14 1 13 738.168 387.594 2 -14 1 12 1021.62 194.559 9 -14 -1 12 1255.08 231.679 11 -14 1 12 1444.27 408.740 2 -14 1 12 1351.67 249.915 11 -14 1 11 941.092 186.169 9 -14 1 11 728.838 251.620 2 -14 1 11 796.963 210.290 11 -14 -1 11 994.801 223.278 11 -14 -1 11 1050.68 300.865 2 -14 -1 10 38440.3 1128.71 11 -14 1 10 39081.4 1177.04 11 -14 1 10 43571.2 1986.30 2 -14 -1 10 45203.7 1934.55 2 -14 1 10 40086.4 1085.30 9 -14 1 9 298.061 137.429 9 -14 1 9 321.766 258.634 2 -14 -1 9 23.8803 141.223 11 -14 1 9-182.218 149.271 11 -14 -1 9 11.9828 122.316 10 -14 1 9 101.864 107.032 10 -14 -1 9 277.577 217.635 2 -14 1 8 3064.49 327.687 11 -14 -1 8 3303.80 340.259 10 -14 1 8 2748.12 293.576 10 -14 1 8 2544.20 468.496 2 -14 -1 8 2961.92 316.261 11 -14 -1 8 2729.32 449.748 2 -14 1 8 2886.17 296.987 9 -14 1 7 16415.8 736.444 11 -14 1 7 18008.8 1204.96 2 -14 -1 7 17230.7 739.608 10 -14 1 7 15845.5 647.938 10 -14 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11 14 -1 6 5091.05 385.936 6 -14 -1 -6 4796.13 441.375 9 -14 1 -6 4888.60 433.780 9 -14 1 -7 5967.75 464.572 11 14 -1 7 5301.76 409.602 6 -14 -1 -7 5637.24 495.298 9 -14 1 -7 5172.59 466.593 9 14 -1 8 1325.66 212.897 6 -14 -1 -8 1611.54 288.757 9 -14 1 -8 1480.07 268.679 9 14 -1 9 2603.91 306.948 6 -14 -1 -9 2733.10 381.950 9 -14 1 -9 2399.93 355.102 9 14 -1 10 2382.12 304.769 6 -14 -1 -10 2283.70 365.636 9 -14 1 -10 2393.47 355.904 9 14 -1 11 476.683 188.214 6 -14 -1 -11 594.779 242.720 9 -14 1 -11 248.288 178.073 9 14 -1 12 3014.17 358.252 6 -14 -1 -12 2103.18 362.300 9 -14 1 -12 2428.25 379.883 9 14 -1 13 1207.89 255.058 6 -14 -1 -13 1064.87 311.466 9 -14 1 -13 1281.53 320.775 9 14 1 14 29.2298 109.282 6 14 -1 14 346.322 193.365 6 -14 -1 -14 154.943 223.265 9 -14 1 -14-10.7012 198.066 9 14 1 15 4507.60 373.167 6 14 -1 15 4739.65 445.540 6 -14 1 -15 4213.68 525.659 9 14 1 16 1471.37 215.250 6 14 -1 16 2090.31 313.499 6 -14 1 -16 1617.86 313.621 9 14 -1 17 2080.89 303.876 6 14 1 17 2222.45 263.958 6 14 1 18 1112.76 212.774 6 14 -1 18 981.636 228.210 6 14 -1 19 1597.79 262.643 6 14 1 19 1403.60 198.299 6 14 -1 20 230.906 122.981 6 -14 -1 -20 76.1500 101.412 10 14 1 21 113.073 85.0074 6 14 -1 21 322.020 138.073 6 -14 -1 -21 219.221 116.517 10 14 -1 22 14.1316 96.6131 6 14 -1 23 711.752 132.014 6 -14 2 27 1784.67 193.556 11 -14 2 26 3030.62 285.133 11 -14 2 25 463.886 147.561 11 -14 2 24 2296.50 309.237 11 -14 2 23 2116.44 313.329 11 -14 2 22-149.611 174.539 11 -14 2 21 1723.13 248.035 9 -14 -2 21 2060.75 265.564 11 -14 2 21 1987.84 335.014 11 -14 2 20 436.697 139.435 9 -14 -2 20 632.431 196.010 11 -14 2 20 463.996 192.026 11 -14 2 19 2910.65 335.796 9 -14 2 19 3583.11 437.628 11 -14 -2 19 3300.02 348.968 11 -14 2 18-61.8659 142.233 9 -14 -2 18 144.944 127.640 11 -14 2 18 149.621 171.807 11 -14 -2 17 10148.5 616.494 11 -14 2 17 9509.76 680.016 11 -14 2 17 10158.2 623.465 9 -14 -2 16 7374.91 521.229 11 -14 2 16 6551.99 554.300 11 -14 2 16 7626.25 548.164 9 -14 -2 15 3949.89 380.920 11 -14 2 15 4247.69 446.438 11 -14 2 15 5370.67 801.114 2 -14 2 15 4646.46 431.289 9 -14 2 14 462.086 168.176 9 -14 -2 14 319.492 152.301 11 -14 2 14 251.837 241.052 2 -14 2 14 416.898 194.403 11 -14 -2 13 5284.49 434.484 11 -14 2 13 5234.40 489.911 11 -14 2 13 4398.57 721.013 2 -14 2 13 5364.58 456.327 9 -14 -2 12 29667.2 995.133 11 -14 2 12 29944.1 1096.89 11 -14 2 12 31769.6 1837.74 2 -14 2 12 30866.0 1053.24 9 -14 2 11 160.915 138.801 9 -14 2 11 13.2773 195.225 2 -14 -2 11 179.278 121.110 11 -14 2 11 91.3705 135.528 11 -14 2 10 11180.9 649.601 11 -14 2 10 9323.01 973.797 2 -14 -2 10 11948.0 616.130 11 -14 2 10 10200.1 601.251 9 -14 2 9 2082.33 282.595 9 -14 2 9 2130.88 490.064 2 -14 -2 9 2766.60 315.882 11 -14 2 9 2379.11 303.374 11 -14 2 8 49.7749 127.008 9 -14 2 8 309.389 245.786 2 -14 2 8-31.1750 145.281 11 -14 -2 8 145.828 120.463 10 -14 -2 8 38.4657 111.909 11 -14 -2 7 11864.5 595.318 11 -14 2 7 12158.7 642.769 11 -14 2 7 12709.9 1060.85 2 -14 -2 7 11151.0 623.966 10 -14 2 7 11566.7 531.899 10 -14 2 7 12128.4 623.527 9 -14 -2 6 7106.33 458.293 11 -14 2 6 6680.90 474.438 11 -14 2 6 6469.23 748.717 2 -14 -2 6 6418.88 479.328 10 -14 2 6 6517.72 399.965 10 -14 2 6 7056.96 478.300 9 -14 2 5 3184.19 525.452 2 -14 -2 5 2778.36 297.829 11 -14 2 5 2770.29 307.510 11 -14 -2 5 3098.98 338.389 10 -14 2 5 3047.59 282.143 10 -14 2 5 3124.33 329.277 9 -14 2 4 17467.6 1200.26 2 -14 -2 4 19938.2 750.426 11 -14 -2 4 18171.5 766.613 10 -14 2 4 18068.2 661.407 10 -14 2 4 18478.8 755.906 11 -14 2 4 18823.5 763.887 9 -14 -2 3 5903.30 411.874 11 -14 2 3 6449.18 719.438 2 -14 2 3 7076.58 467.359 11 -14 -2 3 6470.67 451.741 10 -14 2 3 5962.91 382.672 10 -14 2 3 6287.52 442.251 9 -14 2 2 3759.35 549.554 2 -14 -2 2 3251.96 310.666 11 -14 2 2 3164.13 316.082 11 -14 -2 2 3001.15 322.632 10 -14 2 2 3229.69 291.653 10 -14 2 2 3426.30 345.141 9 -14 2 1 528.364 157.624 9 -14 2 1 707.919 268.382 2 -14 -2 1 391.909 144.959 11 -14 2 1 286.806 131.366 11 -14 -2 1 373.933 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478.471 206.697 6 -14 -2 -14 236.919 151.856 10 -14 2 -14 235.663 231.414 9 -14 -2 -15 3425.95 374.166 10 14 -2 15 3435.21 401.613 6 -14 2 -15 3574.10 452.963 9 14 -2 16 6532.98 528.179 6 -14 -2 -16 6987.85 496.343 10 -14 2 -16 6215.41 592.846 9 14 -2 17 1704.40 277.597 6 -14 -2 -17 2149.81 299.276 10 -14 2 -17 2252.19 380.404 9 14 -2 18 1433.84 264.111 6 -14 -2 -18 1065.32 208.471 10 14 -2 19-37.5953 154.778 6 14 -2 20-79.1332 120.752 6 14 -2 21 115.025 111.503 6 14 -2 22 43.9186 97.2703 6 14 -2 23-7.83020 81.7710 6 -14 3 26 236.515 108.733 11 -14 3 25 9.35278 103.340 11 -14 3 24 614.345 177.940 11 -14 3 23-216.523 108.373 9 -14 3 23 156.484 128.289 11 -14 3 22 987.907 176.562 9 -14 3 22 1001.08 234.453 11 -14 3 21-36.1214 122.924 9 -14 3 21-73.7289 158.239 11 -14 3 20 93.5046 127.897 9 -14 3 20 615.436 227.657 11 -14 3 19-85.4801 139.302 9 -14 3 19 50.0564 183.013 11 -14 3 18 1004.64 234.130 9 -14 3 18 861.959 239.328 11 -14 3 17 204.603 154.097 9 -14 3 17 734.072 234.974 11 -14 3 16 3425.72 423.785 11 -14 3 16 3422.34 405.168 9 -14 3 15 543.753 207.384 9 -14 3 15 680.593 235.354 11 -14 3 14 21937.6 985.065 11 -14 3 14 24071.1 1676.47 2 -14 3 14 22164.0 958.730 9 -14 3 13 560.223 219.279 9 -14 3 13 243.657 146.772 11 -14 3 12 540.758 210.898 9 -14 3 12 754.042 354.728 2 -14 3 12 341.678 180.310 11 -14 3 11 284.377 181.755 9 -14 3 11 396.296 183.690 11 -14 3 10 14317.1 754.759 11 -14 3 10 14842.0 1266.01 2 -14 3 10 13880.4 741.078 9 -14 3 9 2362.70 321.089 9 -14 3 9 2610.53 547.058 2 -14 3 9 2679.09 336.007 11 -14 3 8 314.792 142.914 9 -14 3 8 189.060 179.172 2 -14 3 8 235.369 148.344 11 -14 3 7 7074.43 502.843 11 -14 3 7 6584.21 810.882 2 -14 3 7 5807.36 477.456 9 -14 3 6 1069.02 229.841 9 -14 3 6 1525.33 432.277 2 -14 -3 6 840.387 175.194 11 -14 3 6 1048.67 215.305 11 -14 -3 6 664.491 181.706 10 -14 3 5 12633.4 644.587 11 -14 -3 5 12979.8 589.784 11 -14 -3 5 12116.2 657.390 10 -14 3 5 12673.7 1111.14 2 -14 3 5 12159.7 659.143 9 -14 3 4 2421.04 302.270 9 -14 3 4 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39531.2 1126.22 11 -14 -4 4 37317.2 1188.54 10 -14 4 4 38348.1 1211.28 9 -14 4 3 32639.9 1876.23 2 -14 4 3 35812.2 1051.01 11 -14 -4 3 34153.6 1120.96 10 -14 4 3 34243.1 1134.10 9 -14 4 2 1823.62 274.585 9 -14 4 2 2380.19 512.496 2 -14 4 2 1565.61 238.507 11 -14 -4 2 1705.06 270.884 10 -14 4 1 4122.46 673.385 2 -14 4 1 3827.10 340.712 11 -14 -4 1 3755.65 372.485 10 -14 4 1 3637.67 383.088 9 -14 4 0 612.738 182.943 9 -14 4 0 462.646 200.544 2 -14 4 0 653.488 183.558 11 -14 -4 0 506.801 182.495 10 -14 4 -1 32148.4 1846.11 2 -14 4 -1 32495.2 982.944 11 -14 -4 -1 34137.4 1103.01 10 -14 4 -1 30940.1 1065.28 9 -14 -4 -2 3718.25 378.688 10 -14 4 -2 4028.81 353.321 11 -14 4 -2 3149.71 359.908 9 -14 4 -2 3195.89 603.125 2 -14 4 -3 1166.88 200.936 11 -14 -4 -3 1083.54 236.276 10 -14 4 -3 578.378 295.067 2 -14 4 -3 1152.29 236.419 9 -14 4 -4 192.851 127.817 11 -14 -4 -4-167.855 150.830 10 -14 4 -4 268.226 230.366 2 -14 4 -4 51.7101 129.331 9 -14 4 -5 3133.44 318.465 11 -14 -4 -5 2086.45 287.448 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132.514 6 -14 5 23 7.83361 87.5860 9 -14 5 23-61.1202 77.5947 11 -14 5 22 1313.02 203.937 9 -14 5 22 1542.93 211.180 11 -14 5 21 598.534 164.251 9 -14 5 21 712.488 162.865 11 -14 5 20 1025.60 210.192 9 -14 5 20 1446.00 252.455 11 -14 5 19 311.633 169.952 9 -14 5 19 634.222 186.530 11 -14 5 18 271.845 175.396 9 -14 5 18 225.051 151.575 11 -14 5 17 1024.92 237.271 9 -14 5 17 605.337 190.972 11 -14 5 16 672.714 233.783 9 -14 5 16 853.912 231.098 11 -14 5 15 246.693 210.665 9 -14 5 15 152.067 141.340 11 -14 5 14 2912.35 389.940 9 -14 -5 14 2168.59 312.101 4 -14 5 14 2247.31 314.041 11 -14 5 13-37.0693 173.984 9 -14 -5 13-77.7210 129.528 4 -14 5 13-86.8969 160.368 11 -14 5 12 122.980 171.543 9 -14 -5 12 6.05177 121.183 4 -14 5 12-52.5054 150.136 11 -14 5 11 663.533 227.404 9 -14 5 11 718.145 188.892 11 -14 -5 11 561.011 194.041 4 -14 5 10-22.3603 189.538 9 -14 5 10 438.238 283.447 2 -14 5 10 132.263 141.288 11 -14 5 9 353.249 181.598 9 -14 5 9 16.5970 179.297 2 -14 5 9 333.590 175.068 11 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2342.83 336.051 9 14 -5 6 672.747 236.392 6 -14 5 -6 272.567 306.997 2 -14 5 -6 820.530 201.707 9 14 -5 7 7439.38 599.051 6 -14 5 -7 7347.72 555.129 9 14 -5 8 5029.40 496.153 6 -14 5 -8 4475.29 439.362 9 14 -5 9 3916.22 451.580 6 -14 5 -9 3433.14 401.736 9 14 -5 10 997.904 267.369 6 -14 5 -10 883.394 212.842 9 14 -5 11 1489.42 296.116 6 -14 5 -11 1584.15 303.363 9 14 -5 12 1019.46 280.977 6 -14 5 -12 949.531 239.943 9 14 -5 13 2549.12 370.265 6 -14 5 -13 2660.46 347.149 9 14 -5 14 3074.16 404.455 6 -14 5 -14 3334.94 373.751 9 14 -5 15 425.228 207.853 6 -14 5 -15 182.585 126.440 9 14 -5 16 1597.66 270.962 6 14 -5 17 1152.30 231.915 6 14 -5 18 2468.27 291.701 6 14 -5 19 1496.78 212.448 6 14 -5 20 1901.73 204.245 6 -14 6 22 21.6480 82.7277 9 -14 6 21 223.982 121.132 9 -14 6 20 1547.87 229.583 9 -14 6 20 1599.28 182.461 11 -14 6 19-57.4311 131.750 9 -14 6 19 158.183 103.591 11 -14 6 18 5823.75 380.176 11 -14 6 18 5922.91 466.798 9 -14 6 17 616.975 198.236 9 -14 6 17 525.778 152.424 11 -14 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221.912 6 -14 -6 -18 1306.80 193.879 8 14 -6 18 860.058 152.830 6 -14 7 20 234.473 89.4221 9 -14 7 19 811.672 168.995 9 -14 7 18-15.5409 106.839 9 -14 7 17 197.530 117.467 9 -14 7 16 206.438 139.198 9 -14 7 15 3302.15 359.754 9 -14 7 14 486.049 193.439 9 -14 -7 14 133.745 108.545 4 -14 7 13 123.366 161.200 9 -14 -7 13 86.4422 144.961 4 -14 7 12 635.300 214.807 9 -14 -7 12 585.992 176.470 4 -14 -7 11 3809.21 383.486 4 -14 7 11 4057.35 442.319 9 -14 7 10 208.739 171.734 9 -14 -7 10 261.301 141.161 4 -14 7 9 1624.57 287.355 9 -14 -7 9 1354.65 249.875 4 -14 7 8 2010.05 315.730 9 -14 -7 8 2021.03 281.807 4 -14 7 7 916.373 245.303 9 -14 -7 7 777.881 209.245 4 -14 7 6 541.755 220.942 9 -14 -7 6 490.777 187.225 4 -14 7 5 151.212 153.247 9 -14 -7 5 507.839 185.690 4 -14 7 4 186.827 137.859 9 -14 -7 4 114.169 129.840 4 -14 7 3 26.6758 149.455 9 -14 -7 3-130.171 152.075 4 -14 -7 2 1410.05 241.938 4 -14 7 2 1213.31 253.290 9 -14 -7 1 1656.53 249.617 4 -14 7 1 1207.12 245.013 9 -14 -7 0 837.337 184.464 4 -14 7 0 766.494 203.618 9 -14 -7 -1 159.372 144.228 4 -14 7 -1 255.143 168.274 9 -14 -7 -2 1718.91 288.586 8 -14 -7 -2 2290.03 280.460 4 -14 7 -2 2368.14 301.833 9 -14 -7 -3 867.123 214.087 8 -14 -7 -3 1253.34 217.184 4 -14 7 -3 1513.07 260.320 9 -14 -7 -4 66.2080 118.818 8 -14 -7 -4 106.645 137.167 4 14 -7 4-23.0630 169.598 6 -14 7 -4 118.657 112.814 9 -14 -7 -5 294.405 184.619 8 -14 -7 -5 556.937 161.169 4 14 -7 5 614.274 233.067 6 -14 7 -5 466.840 170.790 9 -14 -7 -6 5513.60 499.622 8 -14 -7 -6 6539.42 443.892 4 14 -7 6 5692.09 509.019 6 -14 7 -6 5441.02 423.194 9 -14 -7 -7 16708.4 828.783 8 14 -7 7 16514.4 850.751 6 -14 -7 -8 574.237 200.511 8 14 -7 8 607.636 234.720 6 -14 -7 -9 381.188 175.355 8 14 -7 9-232.057 181.823 6 -14 -7 -10 367.838 184.147 8 14 -7 10 385.261 181.176 6 -14 -7 -11 418.627 180.872 8 14 -7 11 600.808 191.562 6 -14 -7 -12 3078.92 344.727 8 14 -7 12 2467.33 317.303 6 -14 -7 -13 0.85153 118.808 8 14 -7 13-87.0491 108.297 6 -14 -7 -14 1075.85 200.889 8 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23914.9 891.339 11 -15 -2 -2 25336.5 938.204 10 -15 2 -2 24900.1 885.929 10 -15 -2 -2 26761.5 950.680 9 -15 2 -2 27851.8 1001.11 9 -15 -2 -3 10204.7 592.718 11 -15 2 -3 10757.3 600.793 11 -15 -2 -3 11650.8 646.932 10 15 -2 3 13002.3 626.359 6 -15 -2 -3 12508.7 677.191 9 -15 2 -3 12373.7 681.888 9 -15 -2 -4 8544.47 555.208 11 -15 2 -4 7969.03 530.474 11 -15 -2 -4 8353.73 554.736 10 15 -2 4 8574.46 521.849 6 -15 -2 -4 9209.73 600.429 9 -15 2 -4 8730.21 582.950 9 -15 2 -5 46175.6 1246.45 11 15 -2 5 46430.4 1233.80 6 -15 -2 -5 49126.6 1331.50 10 -15 -2 -5 49803.5 1437.80 9 -15 2 -5 47627.6 1359.71 9 -15 2 -6 939.253 213.121 11 -15 -2 -6 913.804 218.766 10 15 -2 6 818.310 199.292 6 -15 -2 -6 1302.94 269.053 9 -15 2 -6 753.755 227.757 9 -15 2 -7 1444.39 270.622 11 -15 -2 -7 1715.53 281.429 10 15 -2 7 1261.22 241.801 6 -15 -2 -7 1670.22 322.447 9 -15 2 -7 1255.69 260.953 9 15 -2 8 3530.33 380.021 6 -15 -2 -8 3833.55 400.796 10 -15 -2 -8 3378.38 435.525 9 -15 2 -8 2918.84 398.504 9 15 -2 9 5953.61 496.612 6 -15 -2 -9 6055.14 492.511 10 -15 -2 -9 5368.45 537.976 9 -15 2 -9 5697.27 527.878 9 15 -2 10 3869.59 415.005 6 -15 -2 -10 4069.38 430.284 10 -15 -2 -10 3891.26 486.024 9 -15 2 -10 3540.62 425.260 9 15 -2 11 1116.62 240.597 6 -15 -2 -11 1401.68 272.594 10 -15 -2 -11 1689.78 323.188 9 -15 2 -11 1230.98 307.256 9 15 -2 12 4237.10 432.285 6 -15 -2 -12 4191.84 423.196 10 -15 2 -12 4204.11 481.576 9 15 -2 13 3246.76 388.656 6 -15 -2 -13 3298.98 373.415 10 -15 2 -13 3142.65 438.732 9 15 -2 14 196.738 166.934 6 -15 -2 -14 493.389 210.354 10 -15 2 -14 348.977 216.814 9 15 -2 15 2404.83 329.663 6 -15 -2 -15 1901.34 282.888 10 -15 2 -15 1797.21 323.583 9 15 -2 16 2491.32 328.326 6 -15 -2 -16 2537.14 306.794 10 -15 2 -16 2019.68 351.338 9 15 -2 17 280.124 159.335 6 -15 -2 -17 233.580 126.838 10 -15 2 -17 53.1324 164.480 9 15 -2 18 277.138 127.227 6 -15 -2 -18 401.597 136.259 10 15 -2 19 9123.95 513.396 6 15 -2 20 396.469 122.903 6 15 -2 21 4244.55 302.718 6 15 -2 22 1875.19 184.582 6 -15 3 26-252.090 97.4911 11 -15 3 25 56.9479 88.1946 11 -15 3 24 559.277 154.612 11 -15 3 23 861.318 181.153 11 -15 3 22 533.056 146.803 9 -15 3 22 379.097 179.374 11 -15 3 21 749.603 178.421 9 -15 3 21 852.882 217.697 11 -15 3 20 2551.59 308.737 9 -15 3 20 3065.31 379.777 11 -15 3 19 116.834 127.397 9 -15 3 19 226.515 155.665 11 -15 3 18 288.551 185.266 9 -15 3 18 238.350 185.840 11 -15 3 17 299.037 136.458 9 -15 3 17 226.545 175.673 11 -15 3 16 1335.23 270.930 9 -15 3 16 1191.50 284.300 11 -15 3 15 982.425 259.690 9 -15 3 15 1165.59 270.948 11 -15 3 14 1350.86 280.109 9 -15 3 14 1601.59 516.935 2 -15 3 14 904.447 249.046 11 -15 3 13 14964.6 822.460 11 -15 3 13 14218.1 1283.43 2 -15 3 13 13632.8 755.985 9 -15 3 12 1476.93 269.348 9 -15 3 12 1935.68 323.354 11 -15 3 11 10418.2 658.077 11 -15 3 11 9705.38 1061.96 2 -15 3 11 9614.49 624.384 9 -15 3 10 9078.34 617.476 11 -15 3 10 10429.4 1078.48 2 -15 3 10 9694.16 636.024 9 -15 3 9 1044.23 237.984 9 -15 3 9 762.707 311.227 2 -15 3 9 1012.52 257.926 11 -15 3 8 1359.02 252.834 9 -15 3 8 1160.54 388.128 2 -15 -3 8 1070.62 212.520 11 -15 3 8 1364.07 273.669 11 -15 3 7 877.703 228.546 9 -15 3 7 1216.02 387.180 2 -15 -3 7 1005.88 206.327 11 -15 3 7 922.410 221.203 11 -15 3 6 1634.28 270.399 9 -15 3 6 2217.29 486.193 2 -15 -3 6 1956.40 259.075 11 -15 3 6 1890.56 285.979 11 -15 -3 6 1948.43 302.718 10 -15 -3 5 4905.34 390.969 11 -15 3 5 5390.40 746.046 2 -15 3 5 4701.17 419.828 11 -15 -3 5 4829.10 454.001 10 -15 3 5 4598.20 434.124 9 -15 3 4 2693.33 333.609 9 -15 3 4 2497.51 483.821 2 -15 -3 4 2336.96 273.782 11 -15 3 4 2004.23 284.318 11 -15 -3 4 2361.75 313.244 10 -15 3 3 914.765 223.452 9 -15 3 3 1147.55 340.616 2 -15 -3 3 841.612 196.802 11 -15 3 3 906.799 206.734 11 -15 -3 3 994.748 209.084 10 -15 3 3 990.999 189.944 10 -15 3 2 3366.94 364.310 9 -15 3 2 4305.80 655.521 2 -15 -3 2 3180.50 312.690 11 -15 3 2 3035.65 321.666 11 -15 -3 2 3505.89 371.306 10 -15 3 2 3753.74 321.161 10 -15 3 1 87.5026 126.206 9 -15 3 1 582.011 307.909 2 -15 -3 1 126.348 113.266 11 -15 3 1 197.692 129.134 11 -15 -3 1 306.951 123.687 10 -15 3 1 377.642 156.540 10 -15 3 0 96.8422 201.668 2 -15 -3 0 316.823 130.767 11 -15 3 0 360.776 150.119 11 -15 -3 0 462.568 180.658 10 -15 3 0 425.521 147.120 10 -15 3 0 269.190 154.931 9 -15 3 -1 8162.99 886.175 2 -15 -3 -1 8727.44 522.411 11 -15 3 -1 7762.50 510.624 11 -15 -3 -1 8133.89 555.666 10 -15 3 -1 7986.41 494.027 10 -15 3 -1 8259.73 570.326 9 -15 -3 -2 972.005 217.072 11 -15 3 -2 906.029 204.982 11 -15 -3 -2 1029.47 221.754 10 -15 3 -2 758.092 157.985 10 -15 3 -2 1195.03 247.694 9 -15 3 -3 14242.1 1130.52 2 -15 3 -3 15483.4 716.758 11 -15 -3 -3 14479.8 730.613 10 -15 3 -3 14957.2 758.294 9 -15 3 -4 6039.97 462.833 11 -15 -3 -4 5686.05 474.817 10 15 -3 4 6489.24 502.374 6 -15 3 -4 5802.07 490.956 9 -15 3 -4 5517.83 710.042 2 -15 3 -5 3827.45 376.424 11 -15 -3 -5 4107.97 407.502 10 15 -3 5 4640.07 435.408 6 -15 3 -5 4407.31 444.871 9 -15 -3 -5 4224.08 440.082 9 -15 -3 -6 2349.80 333.527 10 -15 3 -6 2230.34 295.441 11 -15 -3 -6 1908.93 325.954 9 15 -3 6 1636.29 273.074 6 -15 3 -6 1613.96 287.029 9 15 -3 7 5239.64 479.406 6 -15 -3 -7 5659.82 474.272 10 -15 -3 -7 5279.62 517.998 9 -15 3 -7 4861.71 483.588 9 15 -3 8 17727.2 871.310 6 -15 -3 -8 16719.9 801.172 10 -15 -3 -8 16080.7 908.064 9 -15 3 -8 15310.2 830.835 9 -15 -3 -9 2513.92 318.340 10 15 -3 9 1774.85 319.935 6 -15 3 -9 1787.52 315.115 9 -15 -3 -10 889.043 230.110 10 15 -3 10 860.626 253.956 6 -15 3 -10 669.726 218.526 9 -15 -3 -11 2767.86 325.372 10 15 -3 11 3535.96 426.254 6 -15 3 -11 2789.43 377.986 9 -15 -3 -12-64.4432 137.771 10 15 -3 12-114.351 192.690 6 -15 3 -12 2.36356 162.814 9 -15 -3 -13 1255.83 233.656 10 15 -3 13 930.206 236.050 6 -15 3 -13 1071.58 277.178 9 15 -3 14 214.732 153.993 6 -15 3 -14 47.9063 155.477 9 15 -3 15-240.287 182.599 6 -15 3 -15-144.440 177.560 9 15 -3 16 177.396 176.088 6 -15 3 -16 1.14267 161.004 9 15 -3 17 4654.11 422.026 6 15 -3 18 145.786 151.665 6 15 -3 19 416.846 137.740 6 15 -3 20 1921.55 229.688 6 15 -3 21 1225.79 168.253 6 -15 4 24 69.4716 84.3572 11 -15 4 23 315.682 102.942 9 -15 4 23 402.694 141.039 11 -15 4 22 2665.47 297.812 11 -15 4 22 2715.76 267.588 9 -15 4 21-158.515 118.050 9 -15 4 21-81.8251 142.165 11 -15 4 20 3056.75 329.303 9 -15 4 20 2842.75 339.907 11 -15 4 19 1382.15 252.025 9 -15 4 19 1608.28 268.084 11 -15 4 18 5464.20 488.382 11 -15 4 18 5416.05 470.616 9 -15 4 17 156.599 172.597 9 -15 4 17 114.247 165.777 11 -15 4 16 12242.7 735.788 11 -15 4 16 11374.6 702.247 9 -15 4 15 51.0314 172.027 9 -15 4 15 177.672 172.074 11 -15 4 14 2192.66 341.948 9 -15 4 14 2017.87 323.067 11 -15 4 13-29.2976 158.332 9 -15 4 13 129.041 172.116 11 -15 4 12 1135.48 280.292 9 -15 4 12 859.601 229.139 11 -15 4 11 3052.76 396.425 9 -15 4 11 3002.77 624.774 2 -15 4 11 3201.05 386.959 11 -15 4 10 468.034 202.906 9 -15 4 10 292.452 260.511 2 -15 4 10 189.172 151.889 11 -15 4 9 1983.08 337.516 9 -15 4 9 1981.31 523.980 2 -15 4 9 2715.95 356.676 11 -15 4 8 4693.10 738.168 2 -15 4 8 4999.67 452.048 11 -15 4 8 5117.38 490.685 9 -15 4 7 707.059 225.585 9 -15 4 7 535.788 322.018 2 -15 4 7 934.366 227.647 11 -15 4 6 165.650 156.668 9 -15 4 6-158.831 224.220 2 -15 4 6-190.500 155.996 11 -15 4 5 3599.48 656.449 2 -15 4 5 4217.37 397.165 11 -15 4 5 4557.83 449.312 9 -15 4 4 2776.62 374.425 9 -15 4 4 3509.40 636.134 2 -15 4 4 2577.80 317.828 11 -15 -4 4 3221.49 394.020 10 -15 4 3 9211.34 1016.75 2 -15 4 3 8834.84 553.788 11 -15 -4 3 9004.53 612.422 10 -15 4 3 9203.29 615.564 9 -15 4 2 3927.79 665.817 2 -15 4 2 4638.10 396.255 11 -15 -4 2 4023.41 418.462 10 -15 4 2 4291.07 436.472 9 -15 4 1 5420.65 806.051 2 -15 -4 1 5343.81 479.855 10 -15 4 1 5394.19 432.955 11 -15 4 1 5244.02 479.442 9 -15 4 0 307.352 240.083 2 -15 -4 0 693.804 218.450 10 -15 4 0 742.013 210.343 9 -15 4 -1 3139.86 590.391 2 -15 4 -1 2834.39 310.814 11 -15 -4 -1 2877.07 360.495 10 -15 4 -1 3175.19 368.124 9 -15 4 -2 2170.81 491.427 2 -15 4 -2 2189.87 278.515 11 -15 -4 -2 2331.25 334.270 10 -15 4 -2 2053.04 254.466 10 -15 4 -2 2372.83 329.168 9 -15 4 -3 25551.7 1636.20 2 -15 4 -3 22830.0 856.259 11 -15 -4 -3 22724.5 955.378 10 -15 4 -3 22308.1 822.457 10 -15 4 -3 23136.4 963.760 9 -15 4 -4 19.5658 117.321 11 -15 -4 -4 120.748 145.593 10 -15 4 -4 85.7199 150.806 9 -15 4 -4 330.333 220.133 2 -15 4 -5 11832.1 1099.44 2 -15 4 -5 10799.9 598.011 11 -15 -4 -5 10446.9 645.469 10 15 -4 5 9589.82 640.855 6 -15 4 -5 9914.41 648.591 9 -15 -4 -6 2004.10 306.827 10 15 -4 6 1995.14 320.591 6 -15 4 -6 2322.88 332.964 9 -15 -4 -7-71.2616 162.103 10 15 -4 7-3.28141 175.135 6 -15 4 -7 247.491 203.061 9 -15 -4 -8 935.489 198.617 10 15 -4 8 820.346 226.525 6 -15 4 -8 917.029 246.922 9 -15 -4 -9 60.0468 132.542 10 15 -4 9 171.795 203.946 6 -15 4 -9-30.5530 135.876 9 15 -4 10 4159.86 455.084 6 -15 4 -10 3140.00 398.941 9 15 -4 11 11173.5 727.685 6 -15 4 -11 10099.0 685.615 9 15 -4 12 4733.82 489.057 6 -15 4 -12 4861.27 489.586 9 -15 4 -13 6551.82 574.203 9 15 -4 13 6180.58 532.577 6 15 -4 14 3029.50 377.357 6 -15 4 -14 3252.45 402.557 9 15 -4 15-106.491 152.193 6 -15 4 -15-164.284 168.633 9 15 -4 16-1.80265 132.294 6 -15 4 -16-98.0090 156.683 9 15 -4 17 296.436 167.553 6 15 -4 18 2826.70 301.173 6 15 -4 19 2390.02 263.090 6 15 -4 20 291.404 113.785 6 -15 5 23 212.974 83.1222 9 -15 5 22 1183.00 186.790 9 -15 5 22 1181.09 180.487 11 -15 5 21 3011.48 284.099 11 -15 5 21 2918.81 287.845 9 -15 5 20 2813.82 292.426 11 -15 5 20 3025.97 313.822 9 -15 5 19 4943.86 398.635 11 -15 5 19 4933.24 422.808 9 -15 5 18 9934.65 584.117 11 -15 5 18 10367.2 619.352 9 -15 5 17 722.790 204.124 9 -15 5 17 957.167 213.096 11 -15 5 16 2101.37 323.408 9 -15 5 16 1895.66 278.912 11 -15 5 15 1392.36 279.418 9 -15 5 15 1170.71 243.862 11 -15 5 14 1203.43 292.800 9 -15 5 14 1416.08 249.550 11 -15 5 13 1081.67 280.272 9 -15 5 13 1557.87 276.719 11 -15 5 12 3840.04 391.925 11 -15 5 12 4426.12 471.441 9 -15 5 11 240.273 180.281 9 -15 5 11 39.2337 146.842 11 -15 5 10 797.738 274.203 9 -15 5 10 679.642 210.887 11 -15 5 9 531.336 226.144 9 -15 5 9 403.771 149.353 11 -15 5 8 1201.29 287.412 9 -15 5 8 1619.20 453.063 2 -15 5 8 1170.98 233.992 11 -15 5 7 1055.02 259.985 9 -15 5 7 960.581 399.059 2 -15 5 7 1054.13 214.204 11 -15 5 6 3764.61 683.434 2 -15 5 6 3920.05 373.879 11 -15 5 6 3814.68 444.991 9 -15 5 5 3563.85 636.451 2 -15 5 5 4431.23 394.138 11 -15 5 5 4643.76 487.284 9 -15 5 4 4099.50 735.523 2 -15 5 4 4382.85 371.661 11 -15 5 4 4492.50 450.122 9 -15 5 3 28.4174 149.528 9 -15 5 3 342.036 151.620 11 -15 5 2 275.365 154.165 9 -15 5 2 241.178 177.470 2 -15 5 2 213.762 115.863 11 -15 5 1 1454.62 401.311 2 -15 5 1 942.874 241.933 9 -15 5 0-174.079 331.256 2 -15 5 0-284.933 170.292 9 -15 5 -1 274.856 253.801 2 -15 -5 -1 399.264 165.596 10 -15 5 -1 270.009 179.355 9 -15 -5 -2 111.108 141.674 10 -15 5 -2 245.939 162.428 9 -15 -5 -3 74.4609 134.967 10 -15 5 -3 333.894 177.048 9 -15 5 -3 144.038 236.047 2 -15 -5 -4 6178.79 496.402 10 -15 5 -4 5960.89 509.723 9 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11 -15 6 15 2074.25 319.271 9 -15 6 15 1828.94 229.811 11 -15 6 14 5051.96 384.524 11 -15 6 14 5694.60 491.539 9 -15 6 13 727.634 237.090 9 -15 6 12 1129.89 272.903 9 -15 6 11 613.498 232.788 9 -15 6 10 6440.13 559.974 9 -15 6 9 356.155 218.770 9 -15 6 8 834.521 262.416 9 -15 6 7 786.833 250.165 9 -15 6 6 3356.22 416.920 9 -15 6 5 2180.58 353.235 9 -15 6 4 369.931 214.763 9 -15 6 3 15492.9 823.164 9 -15 6 2-26.2355 154.619 9 -15 6 1 3993.49 422.459 9 -15 6 0 9639.21 642.291 9 -15 6 -1 1209.84 259.736 9 -15 6 -2 170.793 172.329 9 -15 6 -3 1765.59 309.073 9 -15 -6 -4 5870.66 480.216 8 -15 6 -4 6173.07 505.933 9 15 -6 4 5537.72 522.151 6 -15 -6 -5 416.385 179.819 8 15 -6 5 333.454 194.435 6 -15 6 -5 329.667 189.394 9 -15 -6 -6 117.339 114.573 8 15 -6 6 339.492 194.621 6 -15 6 -6 88.6784 134.808 9 -15 -6 -7 1301.43 249.723 8 15 -6 7 1024.86 257.183 6 -15 6 -7 1258.79 266.005 9 -15 -6 -8 764.081 206.633 8 15 -6 8 728.746 255.168 6 -15 6 -8 687.836 200.419 9 -15 -6 -9 252.033 154.309 8 15 -6 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156.121 9 -15 -7 6 109.029 109.742 4 -15 7 5 876.422 226.168 9 -15 7 4 743.253 220.468 9 -15 7 3 770.338 236.181 9 -15 7 2 397.284 181.351 9 -15 7 1 139.171 133.087 9 -15 7 0 537.791 176.406 9 -15 7 -1 2256.21 317.025 9 -15 7 -2 4987.14 426.731 9 15 -7 3 802.173 244.757 6 -15 7 -3 698.170 200.433 9 -15 -7 -4-236.178 175.544 8 15 -7 4 49.1553 155.152 6 -15 7 -4 342.674 155.058 9 -15 -7 -5 30.2089 128.192 8 15 -7 5 36.1647 147.901 6 -15 7 -5 17.9235 123.387 9 -15 -7 -6 3303.65 371.190 8 15 -7 6 3780.09 432.637 6 -15 7 -6 3618.11 340.019 9 -15 -7 -7 128.009 148.305 8 15 -7 7 169.813 173.983 6 -15 -7 -8 96.2909 127.557 8 15 -7 8-194.277 173.540 6 -15 -7 -9 199.813 135.002 8 15 -7 9-14.0473 144.438 6 -15 -7 -10 399.381 139.225 8 15 -7 10-147.961 195.597 6 -15 -7 -11 44.2083 119.252 8 15 -7 11 267.666 175.409 6 -15 -7 -12-70.1742 120.899 8 15 -7 12-126.793 154.195 6 -15 -7 -13 148.972 108.882 8 15 -7 13-128.824 127.896 6 -15 -7 -14 252.153 108.376 8 15 -7 14 123.899 118.128 6 15 -7 15 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392.798 11 -21 4 16 578.901 146.728 11 -21 4 16 614.681 143.638 9 -21 4 15 3550.64 315.763 11 -21 4 15 3351.63 285.125 9 -21 4 14-36.4432 105.101 11 -21 4 14 67.3399 111.283 9 -21 4 13 490.614 153.415 11 -21 4 13 418.128 144.228 9 -21 4 12 1409.44 232.908 11 -21 4 12 1584.07 236.394 9 -21 4 11 2008.31 284.657 11 -21 4 11 1789.52 252.328 9 -21 4 10 2082.59 289.772 11 -21 4 10 1936.16 277.759 9 -21 4 9 7996.59 536.729 11 -21 4 9 8213.30 548.841 9 -21 4 8 1844.95 285.109 11 -21 4 8 1619.39 274.297 9 -21 4 7 278.369 168.814 11 -21 4 7 288.441 180.543 9 -21 4 6 2958.10 337.060 11 -21 4 6 3537.27 398.174 9 -21 4 5 186.695 166.829 11 -21 4 5 68.5587 148.389 9 -21 4 4 446.277 180.052 11 -21 4 4 744.369 231.593 9 -21 4 3 2564.24 317.976 11 -21 4 3 2854.10 374.875 9 -21 4 2 902.175 219.080 11 -21 4 2 439.772 205.193 9 -21 4 1 3315.85 348.885 11 -21 4 1 3703.80 409.517 9 -21 4 0 146.490 159.402 11 -21 4 0 183.480 174.670 9 -21 4 -1 100.746 130.430 11 -21 -4 -1 146.404 164.887 10 -21 4 -1 180.288 200.363 9 -21 -4 -2 5023.54 452.811 10 -21 4 -2 4578.08 448.050 9 -21 -4 -3 1436.18 255.377 10 -21 4 -3 1267.48 263.303 9 -21 -4 -4 37.4053 128.179 10 -21 4 -4-46.5492 102.594 10 -21 4 -4 27.4501 155.802 9 -21 -4 -5 4026.38 379.102 10 -21 4 -5 3303.83 297.193 10 -21 4 -5 3218.47 371.413 9 -21 -4 -6 2997.73 309.450 10 -21 4 -6 2391.06 257.732 10 -21 4 -6 2857.25 352.318 9 -21 -4 -7 343.680 150.490 10 -21 4 -7 236.895 113.244 10 -21 4 -7 269.352 166.565 9 -21 -4 -8 14.6249 103.935 10 -21 4 -8 238.400 118.309 10 -21 4 -8-75.9460 134.783 9 -21 4 -9 1671.10 200.887 10 -21 4 -9 2454.22 312.722 9 -21 4 -10 49.4531 80.0792 10 -21 4 -10 161.580 133.010 9 -21 4 -11 232.948 98.9031 10 -21 4 -11-70.1374 106.998 9 -21 4 -12 2863.36 284.174 9 -21 5 15 3397.81 265.131 9 -21 5 14 484.409 124.066 11 -21 5 14 148.875 100.953 9 -21 5 13 428.187 116.770 11 -21 5 13 377.810 125.325 9 -21 5 12 584.630 139.983 11 -21 5 12 1299.23 211.903 9 -21 5 11 2544.51 257.142 11 -21 5 11 3215.55 324.369 9 -21 5 10 96.0313 112.728 11 -21 5 10 296.230 152.106 9 -21 5 9 1300.26 197.217 11 -21 5 9 1640.22 263.972 9 -21 5 8 1283.54 202.295 11 -21 5 8 1754.49 268.168 9 -21 5 7 28.7976 99.5704 11 -21 5 7 235.990 158.982 9 -21 5 6 179.211 118.774 11 -21 5 6 470.238 178.425 9 -21 5 5 134.688 101.781 11 -21 5 5 214.775 164.554 9 -21 5 4 353.524 138.651 11 -21 5 4 385.801 171.438 9 -21 5 3 874.243 176.760 11 -21 5 3 1177.71 257.576 9 -21 5 2 145.552 116.621 11 -21 5 2 198.505 182.526 9 -21 5 1 5846.90 469.900 9 21 -5 0 1720.95 234.413 6 -21 5 0 1467.81 264.893 9 21 -5 1 554.209 139.021 6 -21 5 -1 821.381 228.045 9 21 -5 2 292.290 126.853 6 -21 5 -2 191.593 167.102 9 21 -5 3 1339.44 198.450 6 -21 5 -3 1280.54 248.074 9 21 -5 4 2480.80 250.848 6 -21 5 -4 2586.13 311.302 9 21 -5 5 508.778 136.143 6 -21 5 -5 652.690 185.860 9 21 -5 6 271.944 81.2861 6 -21 5 -6 344.584 157.067 9 21 -5 7 162.349 78.1636 6 -21 5 -7-50.2962 113.929 9 -21 5 -8 781.755 185.414 9 -21 5 -9 271.566 129.778 9 -21 5 -10 289.861 110.604 9 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151.321 10 -22 0 -3-219.320 194.938 9 -22 0 -4 7855.53 578.116 10 -22 0 -4 7856.56 591.979 9 -22 0 -5 75.6844 162.186 10 -22 0 -5 76.7945 168.174 9 -22 0 -6 2287.79 319.139 10 -22 0 -6 2072.81 328.364 9 -22 0 -7-40.2283 158.362 10 -22 0 -7 67.2999 155.509 9 -22 0 -8 837.331 204.607 10 -22 0 -8 598.995 196.224 9 -22 0 -9 94.7010 140.207 10 -22 0 -9-99.0553 163.451 9 -22 0 -10 604.270 178.280 10 -22 0 -10 513.826 200.984 9 -22 0 -11 153.736 136.069 10 -22 0 -12 6380.82 413.424 10 -22 0 -13 122.178 100.271 10 -22 0 -14 2004.81 210.657 10 -22 1 20 2663.46 222.450 11 -22 1 19 1337.78 180.406 11 -22 -1 18 1283.94 168.556 11 -22 1 18 1367.17 203.523 11 -22 -1 17 1324.88 192.399 11 -22 1 17 991.226 181.796 11 -22 -1 16 198.734 120.011 11 -22 1 16-45.8775 134.110 11 -22 -1 15 1502.24 231.251 11 -22 1 15 1813.28 257.576 11 -22 -1 14 616.285 167.260 11 -22 1 14 594.736 192.443 11 -22 -1 13 224.805 151.033 11 -22 1 13 264.458 171.493 11 -22 -1 12 162.510 133.247 11 -22 1 12 266.207 184.284 11 -22 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284.139 11 -22 1 1 1520.35 294.127 11 -22 -1 1 1860.87 315.263 10 -22 1 1 1830.18 301.574 10 -22 1 1 1925.65 304.136 9 -22 -1 0 490.828 210.721 11 -22 1 0 524.298 206.730 11 -22 -1 0 587.529 233.873 10 -22 1 0 555.398 208.566 10 -22 1 0 233.606 170.580 9 -22 -1 -1 1210.08 279.206 11 -22 1 -1 1580.32 295.000 11 -22 -1 -1 1567.98 309.680 10 -22 1 -1 1670.78 286.407 10 -22 1 -1 1103.38 248.193 9 -22 1 -2 7370.30 555.863 11 -22 -1 -2 7871.59 594.969 10 -22 1 -2 6919.71 534.152 10 -22 -1 -2 7426.87 540.948 9 -22 1 -2 7333.22 569.669 9 -22 -1 -3 1880.98 328.210 10 -22 1 -3 1432.76 271.442 10 -22 -1 -3 2082.26 320.546 9 -22 1 -3 1527.78 290.688 9 -22 -1 -4 4312.26 437.390 10 -22 1 -4 3976.55 397.146 10 -22 -1 -4 4018.48 408.323 9 -22 1 -4 3575.83 415.705 9 -22 -1 -5 185.285 169.336 10 -22 1 -5 236.039 161.286 10 -22 -1 -5 319.327 141.384 9 -22 1 -5 37.0344 175.604 9 -22 -1 -6 5462.92 472.747 10 -22 1 -6 5717.80 471.238 10 -22 -1 -6 4442.90 430.285 9 -22 1 -6 5586.95 512.323 9 -22 -1 -7 232.230 162.528 10 -22 1 -7 68.0265 144.183 10 -22 -1 -7 12.4461 163.631 9 -22 1 -7 173.216 184.206 9 -22 -1 -8 398.678 190.123 10 -22 1 -8 430.159 167.141 10 -22 -1 -8 117.507 164.066 9 -22 1 -8 106.264 158.899 9 -22 -1 -9 528.418 191.020 10 -22 1 -9 970.966 214.663 10 -22 1 -9 503.035 209.285 9 -22 -1 -10 278.341 149.640 10 -22 1 -10 41.3738 113.813 10 -22 1 -10-0.97347 146.650 9 -22 -1 -11 459.726 157.227 10 -22 1 -11 468.702 171.116 10 -22 1 -11 393.187 173.617 9 -22 -1 -12 711.180 158.053 10 -22 1 -12 455.441 143.179 10 -22 1 -12 349.506 140.222 9 -22 -1 -13 435.694 125.243 10 -22 1 -13 715.652 148.399 10 -22 1 -14 4547.85 296.704 10 -22 2 19 1157.07 169.125 11 -22 2 18 425.422 112.075 11 -22 2 17 387.630 142.254 11 -22 2 16 428.857 143.969 11 -22 2 15 390.824 150.370 11 -22 -2 14 604.239 152.870 11 -22 2 14 966.924 223.394 11 -22 -2 13 16.8758 99.4006 11 -22 2 13 237.708 168.782 11 -22 -2 12 195.170 134.430 11 -22 2 12-149.348 154.749 11 -22 2 12-34.3091 95.7550 9 -22 -2 11 600.907 172.947 11 -22 2 11 349.329 184.302 11 -22 2 11 311.743 133.617 9 -22 -2 10 621.202 177.087 11 -22 2 10 961.545 243.685 11 -22 2 10 824.850 200.536 9 -22 -2 9 1092.81 211.466 11 -22 2 9 1520.37 285.342 11 -22 2 9 1904.85 264.454 9 -22 -2 8 5119.47 424.055 11 -22 2 8 5757.36 499.155 11 -22 2 8 5624.73 443.441 9 -22 -2 7 815.047 186.844 11 -22 2 7 877.852 217.344 11 -22 2 7 858.296 220.484 9 -22 -2 6 122.675 131.936 11 -22 2 6 73.0285 175.881 11 -22 2 6 248.368 163.251 9 -22 -2 5 1442.71 260.982 11 -22 2 5 1289.42 275.511 11 -22 2 5 1457.60 232.053 10 -22 2 5 1614.72 280.632 9 -22 -2 4 8439.21 560.797 11 -22 2 4 8350.74 595.819 11 -22 -2 4 8055.60 611.808 10 -22 2 4 8495.63 532.319 10 -22 2 4 8822.90 590.978 9 -22 -2 3 1469.27 257.507 11 -22 2 3 1388.94 260.544 11 -22 -2 3 1354.06 284.956 10 -22 2 3 902.209 192.177 10 -22 2 3 1649.66 280.190 9 -22 -2 2 446.424 189.142 11 -22 2 2 343.649 190.886 11 -22 -2 2 24.4068 180.213 10 -22 2 2 237.249 142.335 10 -22 2 2 448.134 208.622 9 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1960.63 313.708 11 -23 1 5 1409.55 248.039 10 -23 1 5 1769.90 256.013 9 -23 -1 4 1135.03 247.794 11 -23 1 4 1718.48 285.957 11 -23 -1 4 2001.78 312.866 10 -23 1 4 1650.07 262.229 10 -23 1 4 1750.25 283.639 9 -23 -1 3 5153.27 452.763 11 -23 1 3 5063.83 466.596 11 -23 -1 3 5039.49 465.458 10 -23 1 3 5188.73 437.535 10 -23 1 3 5128.94 434.046 9 -23 -1 2 128.318 163.949 11 -23 1 2 129.161 167.116 11 -23 -1 2-4.94623 166.438 10 -23 1 2 95.9439 150.165 10 -23 1 2-84.9892 141.514 9 -23 -1 1 661.071 207.078 11 -23 1 1 558.206 196.680 11 -23 -1 1 464.833 193.109 10 -23 1 1 477.422 182.882 10 -23 1 1 313.517 163.040 9 -23 1 0 3285.37 376.097 11 -23 -1 0 3530.24 396.302 10 -23 1 0 2891.14 334.381 10 -23 1 0 3284.17 370.949 9 -23 1 -1 581.141 221.766 11 -23 -1 -1 404.100 179.219 10 -23 1 -1 563.242 189.744 10 -23 1 -1 304.070 164.557 9 -23 -1 -2-40.4749 158.320 10 -23 1 -2-96.6039 132.902 10 -23 1 -2-95.6687 139.077 9 -23 -1 -3 1822.62 299.602 10 -23 1 -3 2139.29 302.757 10 -23 1 -3 1716.87 281.719 9 -23 -1 -4 217.456 150.667 10 -23 1 -4 458.790 186.549 10 -23 -1 -4-102.214 142.139 9 -23 1 -4 151.828 151.014 9 -23 -1 -5 1985.51 287.736 10 -23 1 -5 2276.02 299.145 10 -23 -1 -5 1705.87 260.846 9 -23 1 -5 2444.33 340.662 9 -23 -1 -6 68.2285 129.360 10 -23 1 -6-16.0274 126.776 10 -23 1 -6 149.776 164.712 9 -23 -1 -7 2105.45 292.141 10 -23 1 -7 1999.73 270.215 10 -23 -1 -7 2262.02 287.593 9 -23 1 -7 2372.96 324.781 9 -23 -1 -8 1082.28 214.677 10 -23 1 -8 573.293 152.616 10 -23 1 -8 668.174 191.537 9 -23 -1 -9 1220.89 202.886 10 -23 1 -9 998.784 191.493 10 -23 1 -9 1291.11 244.999 9 -23 -1 -10 2007.59 238.870 10 -23 1 -10 2144.10 243.546 10 -23 1 -10 1848.69 261.319 9 -23 -1 -11 14.9801 83.6905 10 -23 1 -11-23.6958 89.8881 10 -23 -1 -12 227.807 103.592 10 -23 1 -12 219.856 99.0043 10 -23 2 17 1856.94 202.979 11 -23 2 16 2635.39 254.805 11 -23 2 15 32.3542 106.897 11 -23 2 14 10.6117 106.603 11 -23 -2 13 57.7087 86.4870 11 -23 2 13 188.021 147.293 11 -23 -2 12 348.998 110.139 11 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114.379 10 -23 2 1-94.7443 150.183 9 -23 2 0 437.653 184.715 11 -23 -2 0 569.487 197.290 10 -23 2 0 622.246 174.573 10 -23 2 0 482.997 185.196 9 -23 2 -1 429.502 190.787 11 -23 -2 -1-56.4036 165.613 10 -23 2 -1 9.50692 133.957 10 -23 2 -1 214.966 163.054 9 -23 -2 -2 3.75352 160.629 10 -23 2 -2 162.512 135.999 10 -23 2 -2 2.89324 142.274 9 -23 -2 -3 341.051 192.678 10 -23 2 -3-140.025 136.678 10 -23 2 -3 128.621 143.204 9 -23 -2 -4 1534.44 271.994 10 -23 2 -4 1350.19 221.688 10 -23 2 -4 1311.71 244.576 9 -23 -2 -5 1499.73 247.900 10 -23 2 -5 1201.36 216.952 10 -23 2 -5 1238.66 242.462 9 -23 -2 -6 545.243 181.951 10 -23 2 -6 456.117 155.166 10 -23 2 -6 582.331 204.671 9 -23 -2 -7 1762.83 256.502 10 -23 2 -7 1581.95 222.555 10 -23 2 -7 1486.81 244.451 9 -23 -2 -8 1634.72 234.140 10 -23 2 -8 1218.40 201.044 10 -23 2 -8 1204.58 225.925 9 -23 -2 -9 1363.30 204.156 10 -23 2 -9 1411.21 203.397 10 -23 2 -9 1398.91 236.883 9 -23 -2 -10 426.525 125.709 10 -23 2 -10 105.661 98.7796 10 -23 2 -10 275.343 124.318 9 -23 2 -11 128.339 88.8275 10 -23 2 -11-274.011 135.606 9 -23 3 16 1846.60 204.139 11 -23 3 15 5403.07 352.252 11 -23 3 14 847.750 165.293 11 -23 3 13 2858.94 285.858 11 -23 3 13 2539.87 222.148 9 -23 3 12 881.534 179.949 11 -23 3 12 877.144 161.125 9 -23 3 11 1609.49 242.589 11 -23 3 11 990.564 177.674 9 -23 3 10 248.182 148.693 11 -23 3 10 238.028 126.346 9 -23 3 9 1539.76 254.211 11 -23 3 9 1118.25 199.397 9 -23 3 8 1962.33 279.747 11 -23 3 8 2165.73 263.349 9 -23 3 7 84.8243 141.378 11 -23 3 7 313.310 166.265 9 -23 3 6 13.1527 141.490 11 -23 3 6 133.201 142.995 9 -23 3 5 326.528 144.294 11 -23 3 5 606.170 189.828 9 -23 3 4 667.681 200.295 11 -23 3 4 496.667 179.822 9 -23 3 3 58.0543 134.484 11 -23 3 3 57.0155 135.396 9 -23 3 2 208.756 140.665 11 -23 3 2 246.024 133.011 9 -23 3 1 584.491 199.221 11 -23 3 1 920.410 209.636 9 -23 3 0 197.524 160.798 11 -23 3 0-37.7265 96.6956 10 -23 3 0-23.5932 156.940 9 -23 -3 -1 2251.13 308.120 10 -23 3 -1 1920.00 230.026 10 -23 3 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129.618 108.032 11 -23 4 7 219.948 130.728 9 -23 4 6-95.8656 118.032 11 -23 4 6 221.442 144.932 9 -23 4 5 183.137 140.000 11 -23 4 5 203.519 152.002 9 -23 4 4 488.579 159.991 11 -23 4 4 537.041 171.931 9 -23 4 3 196.972 129.746 11 -23 4 3 319.250 151.798 9 -23 4 2 515.619 161.072 11 -23 4 2 514.972 176.314 9 -23 4 1 141.153 146.420 9 -23 4 0 6542.42 475.526 9 -23 4 -1 101.925 145.060 9 -23 4 -2 384.106 158.427 9 -23 4 -3 153.718 130.466 9 -23 4 -4 6376.72 452.566 9 -23 4 -5-37.1376 109.547 9 -23 4 -6 256.581 142.425 9 -23 4 -7 886.390 184.365 9 -23 4 -8 871.240 166.434 9 -23 5 11-55.6404 78.7820 9 -23 5 10 56.0995 92.3812 9 -23 5 9 3317.61 274.547 9 -23 5 8 933.289 177.256 9 -23 5 7 2211.36 251.148 9 -23 5 6 97.8855 108.226 9 -23 5 5 1091.49 190.362 9 -23 5 4 251.346 125.084 9 -23 5 3 2421.29 270.250 9 -23 5 2 3462.65 323.348 9 -23 5 1 299.252 143.850 9 -23 5 0 134.381 120.961 9 -23 5 -1 2840.45 289.977 9 -23 5 -2 5352.95 387.264 9 -23 5 -3 473.323 135.290 9 -23 5 -4 1858.48 223.877 9 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116.237 10 -24 0 -7 83.2280 115.903 9 -24 0 -8-31.0246 91.0471 10 -24 0 -9-55.0928 83.4984 10 -24 0 -10 456.387 119.914 10 -24 1 16 1700.22 194.606 11 -24 1 15 186.930 120.873 11 -24 -1 14 2183.76 219.719 11 -24 1 14 2307.92 254.259 11 -24 -1 13 646.780 135.513 11 -24 1 13 780.836 172.082 11 -24 -1 12 2738.84 266.179 11 -24 1 12 2614.33 285.443 11 -24 -1 11 3392.12 304.317 11 -24 1 11 4379.17 367.655 11 -24 1 10 3179.70 324.064 11 -24 -1 10 2496.18 274.422 11 -24 -1 9 1015.23 204.273 11 -24 1 9 795.043 196.165 11 -24 -1 8 5469.60 413.376 11 -24 1 8 5889.39 450.276 11 -24 -1 7-1.54004 122.829 11 -24 1 7 26.9679 131.059 11 -24 -1 6 1193.67 229.499 11 -24 1 6 1058.24 209.326 11 -24 -1 5 349.731 148.974 11 -24 1 5 360.098 165.930 11 -24 -1 4 4867.96 406.275 11 -24 1 4 5144.39 432.806 11 -24 1 4 4348.58 363.412 10 -24 1 4 4487.86 367.882 9 -24 -1 3 1064.27 231.848 11 -24 1 3 1010.33 209.304 11 -24 -1 3 963.087 224.343 10 -24 1 3 1108.37 216.202 10 -24 1 3 942.385 192.083 9 -24 -1 2 1592.89 267.279 11 -24 1 2 1437.49 257.897 11 -24 -1 2 1607.31 272.735 10 -24 1 2 1467.32 237.413 10 -24 1 2 1131.08 202.506 9 -24 1 1 1940.31 298.903 11 -24 -1 1 1943.49 296.685 10 -24 1 1 1870.48 271.573 10 -24 1 1 1586.69 242.569 9 -24 -1 0 13751.4 703.508 10 -24 1 0 11951.9 615.243 10 -24 1 0 12604.8 640.209 9 -24 -1 -1 1278.91 242.573 10 -24 1 -1 1598.66 251.184 10 -24 1 -1 1157.55 226.296 9 -24 -1 -2-69.4298 138.674 10 -24 1 -2-84.7443 139.384 10 -24 1 -2-29.3313 120.662 9 -24 -1 -3 4325.47 391.860 10 -24 1 -3 3996.29 353.808 10 -24 1 -3 3855.29 375.152 9 -24 -1 -4 1576.27 258.329 10 -24 1 -4 1477.12 223.287 10 -24 1 -4 1389.57 242.960 9 -24 -1 -5 169.636 137.161 10 -24 1 -5 78.8008 108.477 10 -24 1 -5 362.585 161.224 9 -24 -1 -6 914.691 188.334 10 -24 1 -6 1113.77 201.679 10 -24 1 -6 736.892 190.640 9 -24 -1 -7-26.7905 108.867 10 -24 1 -7 96.8769 115.815 10 -24 1 -7 31.7476 122.423 9 -24 -1 -8 148.312 110.523 10 -24 1 -8 116.208 105.011 10 -24 1 -8 200.806 119.945 9 -24 1 -9 47.0485 77.8789 10 -24 1 -9-151.924 104.833 9 -24 -1 -10 170.563 89.9645 10 -24 1 -10 125.844 75.0482 10 -24 2 15 260.276 99.7242 11 -24 2 14 615.007 139.840 11 -24 2 13 389.126 129.765 11 -24 2 12 120.339 113.820 11 -24 -2 11 297.245 105.911 11 -24 2 11 474.238 164.712 11 -24 -2 10 1741.77 204.665 11 -24 2 10 2372.52 282.373 11 -24 -2 9 1392.24 199.217 11 -24 2 9 1610.22 246.294 11 -24 -2 8 497.064 133.719 11 -24 2 8 447.383 162.951 11 -24 2 8 519.815 145.861 9 -24 -2 7 294.694 110.600 11 -24 2 7 388.310 177.281 11 -24 2 7 323.728 135.241 9 -24 -2 6 6184.84 406.592 11 -24 2 6 6861.40 477.675 11 -24 2 6 6722.82 437.465 9 -24 -2 5 11.9103 116.521 11 -24 2 5-33.2803 120.964 11 -24 2 5-311.715 161.564 9 -24 2 4 298.990 158.069 11 -24 2 4 45.8802 114.131 9 -24 2 3 90.1249 134.753 11 -24 2 3-138.185 110.202 10 -24 2 3-78.4949 125.461 9 -24 2 2 8026.78 518.029 11 -24 2 2 6978.27 425.613 10 -24 2 2 8236.96 517.477 9 -24 2 1 2584.84 308.350 11 -24 -2 1 3092.57 350.278 10 -24 2 1 2323.65 264.933 10 -24 2 1 2450.95 301.699 9 -24 -2 0 1667.95 269.085 10 -24 2 0 1584.52 216.484 10 -24 2 0 1722.01 284.344 9 -24 -2 -1 6282.81 463.711 10 -24 2 -1 5262.69 379.980 10 -24 2 -1 6636.05 472.471 9 -24 -2 -2 1751.77 264.505 10 -24 2 -2 1417.81 210.028 10 -24 2 -2 1590.31 246.895 9 -24 -2 -3 461.746 165.112 10 -24 2 -3 400.159 144.335 10 -24 2 -3 226.377 141.743 9 -24 -2 -4 283.549 142.449 10 -24 2 -4 107.506 99.5332 10 -24 2 -4 388.638 164.318 9 -24 -2 -5 1849.76 248.150 10 -24 2 -5 1331.42 203.887 10 -24 2 -5 1752.32 262.053 9 -24 -2 -6-53.4450 120.173 10 -24 2 -6-40.3704 92.0893 10 -24 2 -6-68.0341 122.818 9 -24 -2 -7 69.2532 86.4754 10 -24 2 -7 30.1578 96.6430 10 -24 2 -7 211.517 140.432 9 -24 -2 -8 1061.06 166.441 10 -24 2 -8 1022.45 158.546 10 -24 2 -8 831.466 180.640 9 -24 2 -9-164.244 98.6177 10 -24 2 -9-174.907 123.482 9 -24 3 14 743.729 132.868 11 -24 3 13 139.330 102.208 11 -24 3 12 693.019 149.988 11 -24 3 11 54.7026 102.398 11 -24 3 10 213.982 119.333 11 -24 3 10 67.7260 95.0304 9 -24 3 9 187.475 122.487 11 -24 3 9 211.966 108.598 9 -24 3 8 5547.92 396.874 11 -24 3 8 5741.72 376.975 9 -24 3 7 25.0657 123.735 11 -24 3 7 234.619 126.250 9 -24 3 6 2769.17 293.016 11 -24 3 6 3036.78 302.429 9 -24 3 5 207.687 139.982 11 -24 3 5 264.756 128.401 9 -24 3 4 1549.18 231.378 11 -24 3 4 1832.59 247.967 9 -24 3 3 393.558 162.356 11 -24 3 3 417.109 153.720 9 -24 3 2 593.496 172.476 11 -24 3 2 712.624 185.053 9 -24 3 1-233.776 134.993 9 -24 3 0 4294.27 380.779 9 -24 3 -1 1094.69 215.027 9 -24 3 -2 1447.33 184.126 10 -24 3 -2 1998.01 267.764 9 -24 3 -3 976.739 148.255 10 -24 3 -3 1437.86 232.801 9 -24 3 -4 468.746 109.921 10 -24 3 -4 617.104 173.740 9 -24 3 -5 309.937 92.0043 10 -24 3 -5 361.158 140.688 9 -24 3 -6 1857.25 241.177 9 -24 3 -7 196.462 121.119 9 -24 3 -8 353.833 110.293 9 -24 4 10 883.624 135.855 11 -24 4 10 746.826 132.389 9 -24 4 9 954.337 138.289 11 -24 4 9 1126.10 168.375 9 -24 4 8 1140.31 169.692 11 -24 4 8 826.245 153.207 9 -24 4 7-18.7966 77.9195 11 -24 4 7-62.4602 91.3956 9 -24 4 6 345.144 119.002 11 -24 4 6 723.827 171.609 9 -24 4 5 746.073 151.591 11 -24 4 5 984.572 182.196 9 -24 4 4 154.555 104.702 11 -24 4 4 189.233 127.325 9 -24 4 3-2.78001 100.531 9 -24 4 2 1003.94 184.946 9 -24 4 1 204.606 132.757 9 -24 4 0 95.7887 109.024 9 -24 4 -1 31.3918 99.1473 9 -24 4 -2-83.6430 113.037 9 -24 4 -3 1057.37 179.599 9 -24 4 -4 316.606 128.002 9 -24 4 -5 91.4462 100.851 9 -24 5 6 1478.31 183.377 9 -24 5 5 309.574 111.150 9 -24 5 4 864.483 155.057 9 -24 5 3 176.645 108.300 9 -24 5 2 1333.88 182.733 9 -24 5 1 135.019 104.294 9 -24 5 0 754.873 147.927 9 -24 5 -1 179.688 96.6999 9 -25 0 13 450.770 111.547 11 -25 0 12-89.9681 106.608 11 -25 0 11 2121.76 232.220 11 -25 0 10-99.8601 105.581 11 -25 0 9 125.628 104.027 11 -25 0 8 41.3248 107.035 11 -25 0 7 7528.76 465.512 11 -25 0 6-63.5532 112.771 11 -25 0 5 6616.73 443.709 11 -25 0 4 152.705 139.085 11 -25 0 3 3799.89 351.634 11 -25 0 2-59.0041 112.342 10 -25 0 1 1556.21 238.814 10 -25 0 0 21.3755 106.456 10 -25 0 -1 420.491 157.133 10 -25 0 -2-98.5528 114.772 10 -25 0 -3 1666.97 238.226 10 -25 0 -4 26.1042 95.6315 10 -25 0 -5 140.063 116.646 10 -25 0 -6-76.6832 90.6363 10 -25 0 -7 8112.14 410.219 10 -25 1 14 167.848 79.4722 11 -25 1 13 1089.67 164.290 11 -25 -1 12-16.9382 66.8532 11 -25 1 12-143.585 99.3921 11 -25 -1 11 226.796 96.7478 11 -25 1 11 241.388 112.127 11 -25 -1 10 276.402 107.785 11 -25 1 10 78.1576 108.858 11 -25 -1 9 432.243 131.432 11 -25 1 9 217.590 113.570 11 -25 -1 8 525.859 147.934 11 -25 1 8 310.230 109.234 11 -25 -1 7 379.613 138.502 11 -25 1 7 339.389 140.866 11 -25 -1 6 161.981 116.918 11 -25 1 6-73.9631 105.072 11 -25 -1 5 185.875 145.570 11 -25 1 5-4.26812 113.622 11 -25 1 4 1382.35 230.953 11 -25 1 3 522.865 181.624 11 -25 1 2 574.268 155.441 10 -25 1 2 795.706 160.323 9 -25 -1 1 731.465 178.888 10 -25 1 1 585.969 152.769 10 -25 1 1 561.948 161.366 9 -25 -1 0 161.504 126.838 10 -25 1 0-113.912 120.705 10 -25 1 0 127.247 123.491 9 -25 -1 -1 1668.46 247.977 10 -25 1 -1 1329.04 196.716 10 -25 1 -1 1187.01 197.030 9 -25 -1 -2 51.0788 114.980 10 -25 1 -2 283.715 136.335 10 -25 1 -2 25.7624 93.3788 9 -25 -1 -3 545.866 166.547 10 -25 1 -3 419.083 128.064 10 -25 1 -3 704.233 178.062 9 -25 -1 -4 255.537 112.851 10 -25 1 -4 173.050 111.957 10 -25 1 -4 39.0581 100.948 9 -25 -1 -5 2118.06 241.372 10 -25 1 -5 1904.17 218.613 10 -25 1 -5 1472.45 201.450 9 -25 -1 -6 1190.74 185.190 10 -25 1 -6 1336.42 185.015 10 -25 1 -6 1120.69 183.650 9 -25 -1 -7 127.055 100.741 10 -25 1 -7 53.1193 72.1002 10 -25 2 13 2058.36 199.859 11 -25 2 12 301.525 109.721 11 -25 2 11 1401.81 187.836 11 -25 2 10-10.6969 92.3447 11 -25 2 9 46.3721 113.237 11 -25 2 8 30.6211 99.5337 11 -25 2 7 61.9586 111.733 11 -25 2 6 573.329 159.667 11 -25 2 6 362.737 103.474 9 -25 2 5 433.395 156.251 11 -25 2 5 263.300 115.721 9 -25 2 4 347.650 134.604 11 -25 2 4 62.9754 102.763 9 -25 2 3 220.695 136.588 11 -25 2 3 301.553 119.906 9 -25 2 2-51.1453 106.249 9 -25 2 1 995.826 159.197 10 -25 2 1 1022.15 192.473 9 -25 2 0 81.2477 96.5336 10 -25 2 0-56.4756 98.0297 9 -25 2 -1 2282.35 225.159 10 -25 2 -1 2675.74 275.388 9 -25 2 -2 268.903 104.311 10 -25 2 -2 179.696 119.269 9 -25 -2 -3 710.690 157.463 10 -25 2 -3 473.206 127.926 10 -25 2 -3 668.714 159.927 9 -25 -2 -4-107.412 100.982 10 -25 2 -4 55.9057 75.6692 10 -25 2 -4 110.011 108.929 9 -25 -2 -5 13.8760 92.3008 10 -25 2 -5 170.310 83.1158 10 -25 2 -5 11.1314 81.4816 9 -25 -2 -6-68.1579 89.1772 10 -25 2 -6-106.690 114.143 9 -25 3 10 2848.03 240.543 11 -25 3 9 607.262 138.131 11 -25 3 8 1033.78 164.917 11 -25 3 7-0.56541 99.8511 11 -25 3 7 164.180 87.6341 9 -25 3 6 34.5406 93.5796 11 -25 3 6 284.875 106.737 9 -25 3 5 169.275 112.014 11 -25 3 5 41.7029 91.4576 9 -25 3 4 961.796 180.366 11 -25 3 4 645.710 149.210 9 -25 3 3 217.469 110.466 9 -25 3 2-97.3789 119.287 9 -25 3 1 646.345 138.994 9 -25 3 0 2309.23 254.719 9 -25 3 -1-124.216 91.2585 9 -25 3 -2-148.696 88.1143 9 -25 3 -3 971.667 169.604 9 -25 3 -4 2169.44 234.551 9 -25 4 4 44.3391 73.4324 9 -25 4 3-5.02399 82.2593 9 -25 4 2 2689.18 244.925 9 -25 4 1 91.1051 82.4196 9 -25 4 0-61.4517 95.6241 9 -26 0 10 7998.72 379.455 11 -26 0 9 44.6805 76.0398 11 -26 0 8 1862.48 211.890 11 -26 0 7 277.978 115.652 11 -26 0 6 7938.93 422.462 11 -26 0 -1 91.2009 92.4948 10 -26 0 -2-64.2926 97.1484 10 -26 0 -3-97.3503 78.2398 10 -26 0 -4 116.704 84.5022 10 -26 1 10 1536.18 183.082 11 -26 1 9 737.658 143.250 11 -26 1 8 5431.23 341.469 11 -26 1 7 786.704 157.998 11 -26 1 6 1052.95 176.910 11 -26 1 5 8.13458 91.4921 11 -26 1 -1 1956.38 195.454 10 -26 1 -2 255.365 90.0131 10 -26 -1 -3-117.634 93.0404 10 -26 2 9 1238.09 158.468 11 -26 2 8 2128.23 211.403 11 -26 2 7 99.0237 87.4253 11 -26 2 6 1752.13 200.299 11 -26 2 5 262.664 115.638 11 0 0 0 0.00 0.00 0 TITL xn14_016_DP538 in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 1.54184 22.157361 9.588800 25.388869 90.0000 96.5716 90.0000 ZERR 4.00 0.000337 0.000184 0.000420 0.0000 0.0015 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N O F S Mn Ge UNIT 152.00 184.00 8.00 68.00 12.00 4.00 12.00 12.00 TREF HKLF 4 END ; _shelx_hkl_checksum 40246 #===END #-----------------------------------------------------------------------------80 # Data for compound 6 (local labelling xn14_050_dp551s) data_xn14_050_dp551s _audit_creation_method SHELXL-2014 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C14 H21 F3 N2 O3 S' _chemical_formula_sum 'C14 H21 F3 N2 O3 S' _chemical_formula_weight 354.39 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/c' _space_group_name_Hall '-P 2ybc' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 11.5500(2) _cell_length_b 8.92810(10) _cell_length_c 16.7770(3) _cell_angle_alpha 90 _cell_angle_beta 92.9730(10) _cell_angle_gamma 90 _cell_volume 1727.71(5) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 4664 _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description fragment _exptl_crystal_colour colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.362 _exptl_crystal_F_000 744 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.380 _exptl_crystal_size_mid 0.260 _exptl_crystal_size_min 0.170 _exptl_absorpt_coefficient_mu 2.082 _shelx_estimated_absorpt_T_min 0.505 _shelx_estimated_absorpt_T_max 0.718 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.82768 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 1.5418 _diffrn_radiation_type CuK\a _diffrn_source 'Nova (Cu) X-ray Source' _diffrn_measurement_device_type 'Xcalibur, Onyx, Nova' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 6941 _diffrn_reflns_av_unetI/netI 0.0297 _diffrn_reflns_av_R_equivalents 0.0240 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 5.615 _diffrn_reflns_theta_max 64.976 _diffrn_reflns_theta_full 65.000 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measured_fraction_theta_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.991 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_point_group_measured_fraction_full 0.991 _reflns_number_total 2920 _reflns_number_gt 2661 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) (compiled Feb 1 2013,16:14:44) ; _computing_structure_solution 'SIR-97 (Giacovazzo, 1999)' _computing_structure_refinement 'SHELXL-2014 (Sheldrick, 2014)' _computing_molecular_graphics 'MERCUY CSD 3.1 (Build RC5)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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 'w=1/[\s^2^(Fo^2^)+(0.0522P)^2^+0.6573P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 2920 _refine_ls_number_parameters 220 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0388 _refine_ls_R_factor_gt 0.0358 _refine_ls_wR_factor_ref 0.0972 _refine_ls_wR_factor_gt 0.0946 _refine_ls_goodness_of_fit_ref 1.053 _refine_ls_restrained_S_all 1.053 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.95056(16) 0.3223(2) 0.61644(12) 0.0411(4) Uani 1 1 d . . . . . H1A H 0.9950 0.3254 0.5683 0.062 Uiso 1 1 calc R U . . . H1B H 0.9937 0.2650 0.6580 0.062 Uiso 1 1 calc R U . . . H1C H 0.9381 0.4246 0.6354 0.062 Uiso 1 1 calc R U . . . C2 C 0.76027(19) 0.2437(3) 0.66862(13) 0.0473(5) Uani 1 1 d . . . . . H2A H 0.7466 0.3460 0.6870 0.071 Uiso 1 1 calc R U . . . H2B H 0.8000 0.1862 0.7116 0.071 Uiso 1 1 calc R U . . . H2C H 0.6859 0.1960 0.6535 0.071 Uiso 1 1 calc R U . . . C3 C 0.83449(16) 0.24801(18) 0.59736(11) 0.0311(4) Uani 1 1 d . . . . . H3 H 0.8487 0.1428 0.5800 0.037 Uiso 1 1 calc R U . . . C4 C 0.71343(14) 0.26861(18) 0.47024(10) 0.0249(3) Uani 1 1 d . . . . . C5 C 0.66767(14) 0.37193(18) 0.40682(9) 0.0250(3) Uani 1 1 d . . . . . C6 C 0.74280(14) 0.46902(19) 0.37073(10) 0.0286(4) Uani 1 1 d . . . . . H6 H 0.8229 0.4698 0.3868 0.034 Uiso 1 1 calc R U . . . C7 C 0.70047(17) 0.5649(2) 0.31109(10) 0.0349(4) Uani 1 1 d . . . . . H7 H 0.7519 0.6302 0.2856 0.042 Uiso 1 1 calc R U . . . C8 C 0.58418(18) 0.5657(2) 0.28870(11) 0.0404(5) Uani 1 1 d . . . . . H8 H 0.5556 0.6317 0.2478 0.049 Uiso 1 1 calc R U . . . C9 C 0.50868(17) 0.4708(2) 0.32541(12) 0.0419(5) Uani 1 1 d . . . . . H9 H 0.4283 0.4727 0.3102 0.050 Uiso 1 1 calc R U . . . C10 C 0.55005(15) 0.3731(2) 0.38436(11) 0.0341(4) Uani 1 1 d . . . . . H10 H 0.4984 0.3073 0.4093 0.041 Uiso 1 1 calc R U . . . C11 C 0.66065(14) 0.04053(19) 0.39060(10) 0.0280(4) Uani 1 1 d . . . . . H11 H 0.6371 0.1144 0.3480 0.034 Uiso 1 1 calc R U . . . C12 C 0.76636(17) -0.0451(2) 0.36490(12) 0.0415(5) Uani 1 1 d . . . . . H12A H 0.8299 0.0252 0.3571 0.062 Uiso 1 1 calc R U . . . H12B H 0.7469 -0.0978 0.3147 0.062 Uiso 1 1 calc R U . . . H12C H 0.7903 -0.1179 0.4063 0.062 Uiso 1 1 calc R U . . . C13 C 0.55958(16) -0.0630(2) 0.40343(11) 0.0367(4) Uani 1 1 d . . . . . H13A H 0.5800 -0.1319 0.4474 0.055 Uiso 1 1 calc R U . . . H13B H 0.5415 -0.1204 0.3546 0.055 Uiso 1 1 calc R U . . . H13C H 0.4918 -0.0037 0.4166 0.055 Uiso 1 1 calc R U . . . C14 C 0.06559(15) 0.1804(2) 0.37865(12) 0.0365(4) Uani 1 1 d . . . . . F1 F 0.02701(11) 0.10848(16) 0.44191(8) 0.0605(4) Uani 1 1 d . . . . . F2 F -0.00840(11) 0.28917(16) 0.35961(11) 0.0740(5) Uani 1 1 d . . . . . F3 F 0.06219(10) 0.08414(13) 0.31844(7) 0.0464(3) Uani 1 1 d . . . . . N1 N 0.77411(12) 0.32838(17) 0.53079(8) 0.0283(3) Uani 1 1 d . . . . . N2 N 0.69229(12) 0.12303(16) 0.46505(8) 0.0270(3) Uani 1 1 d . . . . . O1 O 0.23932(12) 0.32737(15) 0.32908(7) 0.0405(3) Uani 1 1 d . . . . . O2 O 0.27637(11) 0.11622(14) 0.41748(8) 0.0369(3) Uani 1 1 d . . . . . O3 O 0.19811(12) 0.34767(14) 0.46823(7) 0.0394(3) Uani 1 1 d . . . . . S1 S 0.21166(3) 0.25166(4) 0.40062(2) 0.02424(14) Uani 1 1 d . . . . . H100 H 0.7771(16) 0.424(3) 0.5316(11) 0.027(5) Uiso 1 1 d . . . . . H200 H 0.7122(18) 0.070(3) 0.5031(13) 0.035(5) 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 C1 0.0367(10) 0.0449(11) 0.0401(10) -0.0003(9) -0.0122(8) 0.0013(8) C2 0.0505(12) 0.0518(13) 0.0390(11) 0.0143(9) -0.0038(9) -0.0042(9) C3 0.0398(10) 0.0208(8) 0.0315(9) -0.0013(7) -0.0109(7) 0.0026(7) C4 0.0251(8) 0.0229(8) 0.0265(8) -0.0019(6) 0.0001(6) 0.0009(6) C5 0.0309(8) 0.0196(8) 0.0240(8) -0.0027(6) -0.0022(6) 0.0008(6) C6 0.0319(8) 0.0247(8) 0.0292(8) -0.0043(7) 0.0019(7) -0.0005(7) C7 0.0523(11) 0.0251(9) 0.0275(8) -0.0005(7) 0.0040(8) -0.0025(8) C8 0.0602(12) 0.0273(9) 0.0322(9) 0.0034(8) -0.0128(8) 0.0046(8) C9 0.0385(10) 0.0364(10) 0.0487(11) 0.0024(9) -0.0162(8) 0.0032(8) C10 0.0310(9) 0.0293(9) 0.0413(10) 0.0038(8) -0.0043(7) -0.0019(7) C11 0.0345(9) 0.0251(8) 0.0236(8) -0.0023(7) -0.0047(6) -0.0029(7) C12 0.0379(10) 0.0475(12) 0.0393(10) -0.0149(9) 0.0030(8) -0.0041(8) C13 0.0360(9) 0.0376(10) 0.0362(9) -0.0088(8) -0.0014(7) -0.0091(8) C14 0.0323(9) 0.0301(9) 0.0467(10) -0.0046(8) -0.0004(8) 0.0016(7) F1 0.0552(7) 0.0658(9) 0.0623(8) -0.0044(7) 0.0207(6) -0.0258(6) F2 0.0378(7) 0.0465(7) 0.1350(14) -0.0090(9) -0.0215(8) 0.0150(6) F3 0.0457(6) 0.0435(7) 0.0487(6) -0.0137(5) -0.0109(5) -0.0073(5) N1 0.0360(7) 0.0181(7) 0.0296(7) -0.0020(6) -0.0087(6) 0.0005(6) N2 0.0359(7) 0.0202(7) 0.0242(7) 0.0006(6) -0.0059(6) -0.0016(6) O1 0.0536(8) 0.0347(7) 0.0334(7) 0.0061(6) 0.0053(6) -0.0076(6) O2 0.0385(7) 0.0248(6) 0.0464(7) 0.0032(6) -0.0088(5) 0.0041(5) O3 0.0561(8) 0.0283(7) 0.0335(7) -0.0077(5) 0.0009(6) -0.0050(6) S1 0.0286(2) 0.0185(2) 0.0253(2) 0.00063(14) -0.00165(16) -0.00084(14) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C3 1.515(3) . ? C2 C3 1.507(3) . ? C3 N1 1.472(2) . ? C4 N1 1.317(2) . ? C4 N2 1.325(2) . ? C4 C5 1.485(2) . ? C5 C6 1.388(2) . ? C5 C10 1.391(2) . ? C6 C7 1.386(2) . ? C7 C8 1.376(3) . ? C8 C9 1.383(3) . ? C9 C10 1.385(3) . ? C11 N2 1.479(2) . ? C11 C13 1.513(2) . ? C11 C12 1.522(3) . ? C14 F2 1.321(2) . ? C14 F3 1.326(2) . ? C14 F1 1.337(2) . ? C14 S1 1.8226(18) . ? O1 S1 1.4280(13) . ? O2 S1 1.4418(12) . ? O3 S1 1.4367(13) . ? 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 N1 C3 C2 110.35(15) . . ? N1 C3 C1 109.03(15) . . ? C2 C3 C1 112.16(16) . . ? N1 C4 N2 122.50(15) . . ? N1 C4 C5 117.17(14) . . ? N2 C4 C5 120.33(14) . . ? C6 C5 C10 120.07(15) . . ? C6 C5 C4 119.57(15) . . ? C10 C5 C4 120.36(15) . . ? C7 C6 C5 119.70(16) . . ? C8 C7 C6 120.20(17) . . ? C7 C8 C9 120.29(17) . . ? C8 C9 C10 120.10(17) . . ? C9 C10 C5 119.62(17) . . ? N2 C11 C13 110.04(13) . . ? N2 C11 C12 108.82(14) . . ? C13 C11 C12 111.70(15) . . ? F2 C14 F3 107.40(16) . . ? F2 C14 F1 107.88(16) . . ? F3 C14 F1 107.18(15) . . ? F2 C14 S1 111.90(13) . . ? F3 C14 S1 111.77(12) . . ? F1 C14 S1 110.51(13) . . ? C4 N1 C3 126.86(14) . . ? C4 N2 C11 125.50(15) . . ? O1 S1 O3 114.80(8) . . ? O1 S1 O2 115.19(8) . . ? O3 S1 O2 114.97(8) . . ? O1 S1 C14 103.90(8) . . ? O3 S1 C14 103.30(8) . . ? O2 S1 C14 102.24(8) . . ? _refine_diff_density_max 0.499 _refine_diff_density_min -0.354 _refine_diff_density_rms 0.044 _shelxl_version_number 2014-3 _shelx_res_file ; TITL xn14_050_dp551s in P 21/c CELL 1.54180 11.5500 8.9281 16.7770 90.000 92.973 90.000 ZERR 4.00 0.0002 0.0001 0.0003 0.000 0.001 0.000 LATT 1 SYMM - X, 1/2 + Y, 1/2 - Z SFAC C H F N O S UNIT 56 84 12 8 12 4 MERG 2 OMIT -3.00 130.00 FMAP 2 PLAN 25 SIZE 0.170 0.260 0.380 ACTA 130.00 LIST 1 L.S. 16 TEMP -123.00 WGHT 0.052200 0.657300 FVAR 8.15328 C1 1 0.950558 0.322312 0.616436 11.00000 0.03673 0.04488 = 0.04010 -0.00031 -0.01216 0.00133 AFIX 137 H1A 2 0.994982 0.325361 0.568256 11.00000 -1.50000 H1B 2 0.993673 0.265029 0.658028 11.00000 -1.50000 H1C 2 0.938101 0.424606 0.635365 11.00000 -1.50000 AFIX 0 C2 1 0.760269 0.243679 0.668616 11.00000 0.05051 0.05181 = 0.03895 0.01434 -0.00375 -0.00421 AFIX 137 H2A 2 0.746640 0.346037 0.687029 11.00000 -1.50000 H2B 2 0.800011 0.186166 0.711614 11.00000 -1.50000 H2C 2 0.685898 0.196016 0.653537 11.00000 -1.50000 AFIX 0 C3 1 0.834488 0.248013 0.597359 11.00000 0.03978 0.02075 = 0.03146 -0.00133 -0.01086 0.00259 AFIX 13 H3 2 0.848740 0.142753 0.580005 11.00000 -1.20000 AFIX 0 C4 1 0.713432 0.268612 0.470241 11.00000 0.02508 0.02286 = 0.02649 -0.00189 0.00014 0.00090 C5 1 0.667673 0.371926 0.406820 11.00000 0.03094 0.01965 = 0.02405 -0.00269 -0.00218 0.00080 C6 1 0.742804 0.469024 0.370725 11.00000 0.03192 0.02467 = 0.02920 -0.00434 0.00188 -0.00046 AFIX 43 H6 2 0.822887 0.469800 0.386808 11.00000 -1.20000 AFIX 0 C7 1 0.700467 0.564883 0.311092 11.00000 0.05230 0.02515 = 0.02747 -0.00054 0.00401 -0.00247 AFIX 43 H7 2 0.751910 0.630224 0.285608 11.00000 -1.20000 AFIX 0 C8 1 0.584178 0.565681 0.288702 11.00000 0.06023 0.02726 = 0.03219 0.00338 -0.01282 0.00458 AFIX 43 H8 2 0.555613 0.631688 0.247847 11.00000 -1.20000 AFIX 0 C9 1 0.508681 0.470812 0.325411 11.00000 0.03850 0.03644 = 0.04872 0.00242 -0.01620 0.00321 AFIX 43 H9 2 0.428323 0.472655 0.310164 11.00000 -1.20000 AFIX 0 C10 1 0.550047 0.373131 0.384364 11.00000 0.03095 0.02934 = 0.04130 0.00377 -0.00430 -0.00188 AFIX 43 H10 2 0.498381 0.307327 0.409321 11.00000 -1.20000 AFIX 0 C11 1 0.660647 0.040532 0.390604 11.00000 0.03452 0.02511 = 0.02365 -0.00234 -0.00474 -0.00285 AFIX 13 H11 2 0.637097 0.114410 0.347991 11.00000 -1.20000 AFIX 0 C12 1 0.766362 -0.045101 0.364903 11.00000 0.03788 0.04746 = 0.03934 -0.01489 0.00295 -0.00414 AFIX 137 H12A 2 0.829925 0.025247 0.357130 11.00000 -1.50000 H12B 2 0.746940 -0.097834 0.314750 11.00000 -1.50000 H12C 2 0.790299 -0.117861 0.406280 11.00000 -1.50000 AFIX 0 C13 1 0.559584 -0.062974 0.403429 11.00000 0.03598 0.03758 = 0.03621 -0.00876 -0.00139 -0.00913 AFIX 137 H13A 2 0.580000 -0.131907 0.447394 11.00000 -1.50000 H13B 2 0.541490 -0.120408 0.354584 11.00000 -1.50000 H13C 2 0.491797 -0.003654 0.416616 11.00000 -1.50000 AFIX 0 C14 1 0.065592 0.180447 0.378652 11.00000 0.03233 0.03007 = 0.04675 -0.00464 -0.00037 0.00165 F1 3 0.027009 0.108478 0.441912 11.00000 0.05523 0.06577 = 0.06227 -0.00444 0.02073 -0.02580 F2 3 -0.008400 0.289166 0.359611 11.00000 0.03778 0.04654 = 0.13502 -0.00898 -0.02146 0.01505 F3 3 0.062189 0.084140 0.318438 11.00000 0.04565 0.04351 = 0.04868 -0.01370 -0.01094 -0.00727 N1 4 0.774111 0.328376 0.530789 11.00000 0.03599 0.01808 = 0.02964 -0.00203 -0.00869 0.00050 N2 4 0.692294 0.123034 0.465050 11.00000 0.03590 0.02022 = 0.02423 0.00064 -0.00595 -0.00156 O1 5 0.239325 0.327370 0.329082 11.00000 0.05357 0.03473 = 0.03338 0.00612 0.00531 -0.00764 O2 5 0.276373 0.116220 0.417478 11.00000 0.03853 0.02483 = 0.04635 0.00315 -0.00878 0.00412 O3 5 0.198105 0.347667 0.468226 11.00000 0.05615 0.02833 = 0.03347 -0.00768 0.00087 -0.00501 S1 6 0.211664 0.251660 0.400620 11.00000 0.02859 0.01847 = 0.02533 0.00063 -0.00165 -0.00084 H100 2 0.777104 0.423761 0.531615 11.00000 0.02677 H200 2 0.712191 0.070136 0.503149 11.00000 0.03520 HKLF 4 REM xn14_050_dp551s in P 21/c REM R1 = 0.0358 for 2661 Fo > 4sig(Fo) and 0.0388 for all 2920 data REM 220 parameters refined using 0 restraints END WGHT 0.0520 0.6600 REM Highest difference peak 0.499, deepest hole -0.354, 1-sigma level 0.044 Q1 1 -0.0052 0.1963 0.4195 11.00000 0.05 0.50 Q2 1 0.0388 0.3339 0.3118 11.00000 0.05 0.41 Q3 1 0.7979 0.2505 0.6314 11.00000 0.05 0.25 Q4 1 0.2157 0.1113 0.4476 11.00000 0.05 0.22 Q5 1 0.2880 0.2666 0.3470 11.00000 0.05 0.22 Q6 1 0.0090 0.3256 0.4071 11.00000 0.05 0.20 Q7 1 0.1996 0.2639 0.3271 11.00000 0.05 0.18 Q8 1 0.6188 0.3504 0.3841 11.00000 0.05 0.18 Q9 1 0.6836 0.3361 0.4371 11.00000 0.05 0.18 Q10 1 0.6947 0.4392 0.4008 11.00000 0.05 0.17 Q11 1 0.5408 0.5458 0.3234 11.00000 0.05 0.16 Q12 1 0.7695 0.3158 0.6957 11.00000 0.05 0.16 Q13 1 0.8049 0.2850 0.5649 11.00000 0.05 0.16 Q14 1 0.1378 0.2206 0.3882 11.00000 0.05 0.15 Q15 1 0.6162 0.3941 0.4179 11.00000 0.05 0.15 Q16 1 0.6075 -0.0009 0.3967 11.00000 0.05 0.15 Q17 1 0.7190 0.5336 0.3552 11.00000 0.05 0.14 Q18 1 0.7085 0.0066 0.3796 11.00000 0.05 0.14 Q19 1 0.8974 0.2905 0.6059 11.00000 0.05 0.13 Q20 1 0.6374 0.5801 0.3266 11.00000 0.05 0.13 Q21 1 0.1795 0.3337 0.4951 11.00000 0.05 0.13 Q22 1 0.2762 0.1194 0.4869 11.00000 0.05 0.13 Q23 1 0.5448 0.3816 0.4301 11.00000 0.05 0.12 Q24 1 0.2542 0.3394 0.5375 11.00000 0.05 0.12 Q25 1 0.5132 0.4605 0.3787 11.00000 0.05 0.12 ; _shelx_res_checksum 46809 _shelx_hkl_file ; 0 0 -3 51.4714 58.1975 1 0 0 -5 97.9356 88.4376 1 0 0 -6 1013.90 179.737 1 0 0 -7-40.0159 110.118 1 0 0 -8 8422.74 620.645 1 0 0 -9 117.361 129.481 1 0 0 -10 138320. 4079.43 1 0 0 -10 150951. 3612.54 5 0 0 -11 405.675 147.162 5 0 0 -11-303.049 178.612 1 0 0 12 5036.18 806.376 2 0 0 -12 5415.41 611.201 1 0 0 -12 4887.92 427.923 5 0 0 -13 195.208 167.356 5 0 0 13-212.887 250.593 2 0 0 -14 283866. 7003.59 5 0 0 14 332303. 9121.17 2 0 0 15-5.10100 152.149 12 0 0 -15 211.293 203.413 5 0 0 -16 52551.3 1866.53 5 0 0 16 54841.1 1785.17 12 0 0 -17-88.5177 152.147 5 0 0 17-153.479 157.258 12 0 0 18 647.011 169.964 12 0 0 -18 901.628 215.372 5 0 0 19 32.9446 93.8959 12 0 0 20-24.2559 77.4852 12 0 1 0 7.93005 27.1801 2 0 1 -1 32339.4 880.803 2 0 1 1 32498.6 936.227 2 0 1 3 78098.2 2188.85 2 0 -1 -4 295515. 6537.11 1 0 1 4 283337. 6887.30 2 0 -1 -5 213848. 5009.05 1 0 -1 -6 9874.18 584.803 1 0 -1 -7 26838.3 1134.04 1 0 1 -7 28219.8 1174.73 1 0 1 -8 634.998 218.424 1 0 1 8 516.791 283.318 2 0 -1 -8 328.012 154.470 1 0 -1 -9 8130.27 659.225 1 0 1 9 8802.09 915.805 2 0 1 -9 8548.88 674.902 1 0 1 10 222.957 211.877 2 0 1 -10 189.776 120.351 5 0 -1 -10-43.3313 141.518 1 0 1 -10 248.259 173.927 1 0 -1 -10 516.752 150.371 5 0 1 -11 1802.98 246.710 5 0 1 -11 1878.99 339.939 1 0 1 11 2114.39 520.893 2 0 -1 -11 2411.58 283.500 5 0 -1 -11 2199.26 233.084 6 0 1 -12 52580.1 1719.64 5 0 -1 -12 51996.0 1557.70 6 0 -1 -12 55347.7 1760.83 5 0 1 12 58473.6 2925.01 2 0 1 -12 54714.3 2221.26 1 0 1 -13 7123.59 548.701 5 0 -1 -13 6487.43 534.419 5 0 -1 13 6051.24 935.642 2 0 1 13 6463.88 976.506 2 0 1 -13 7400.62 749.547 1 0 -1 -13 6775.20 437.202 6 0 -1 14 13169.1 1373.70 2 0 1 -14 12412.2 761.748 5 0 -1 -14 14548.5 836.396 5 0 -1 14 13439.0 743.305 12 0 1 14 14252.7 1465.72 2 0 1 -15 289.225 188.510 5 0 -1 15 305.587 162.732 12 0 -1 -15 306.809 203.396 5 0 -1 -16 13465.8 821.396 5 0 -1 16 12979.7 746.089 12 0 1 -16 13947.0 806.938 5 0 -1 17 143.076 138.660 12 0 -1 -17 517.826 221.196 5 0 1 17 239.225 163.022 12 0 1 -17 53.3485 149.861 5 0 -1 18 8792.14 549.137 12 0 1 18 8035.33 507.431 12 0 -1 -18 7695.61 561.419 5 0 -1 19 923.293 174.978 12 0 1 19 1071.64 179.899 12 0 -1 -19 709.495 178.316 5 0 -1 20 1945.15 199.861 12 0 2 0 295575. 6625.79 2 0 2 1 30176.7 1030.23 2 0 2 -1 28882.7 962.377 2 0 2 -2 262098. 5963.75 2 0 2 2 264307. 6106.69 2 0 2 3 1345.98 228.851 2 0 2 4 39191.3 1528.80 2 0 2 5 202053. 5327.37 2 0 2 6 23542.4 1313.00 2 0 2 7 57106.2 2362.77 2 0 2 8 26225.6 1605.35 2 0 -2 -9 21355.5 821.135 5 0 2 9 20318.6 1484.18 2 0 2 -9 20234.6 1162.56 1 0 -2 9 21576.2 803.217 12 0 -2 -10 8753.37 518.299 5 0 2 -10 8495.84 486.427 5 0 -2 10 8369.16 490.936 12 0 2 10 7452.15 931.245 2 0 2 -10 9231.94 786.490 1 0 2 -11 2768.87 293.108 5 0 -2 11 2871.16 298.198 12 0 -2 -11 2309.53 299.538 5 0 2 11 2775.57 627.139 2 0 2 -11 2141.31 405.465 1 0 2 -12 11765.3 664.274 5 0 2 12 10560.1 1230.10 2 0 2 -12 12523.2 985.501 1 0 -2 -12 12251.6 702.855 5 0 -2 12 11676.5 660.502 12 0 -2 -12 11641.7 615.035 6 0 -2 13 12155.0 690.128 12 0 -2 -13 11402.1 617.385 6 0 -2 -13 11324.7 717.297 5 0 2 -13 11055.3 675.682 5 0 2 -13 11090.5 959.724 1 0 2 13 11794.3 1337.82 2 0 -2 -14 52106.9 1845.50 5 0 -2 -14 53019.5 1650.90 6 0 -2 14 56749.0 2963.80 2 0 2 -14 52816.3 1790.43 5 0 -2 14 53276.4 1774.78 12 0 -2 -15 5348.74 506.378 5 0 -2 15 5446.36 483.602 12 0 -2 -15 4810.46 386.360 6 0 2 -15 5417.39 478.218 5 0 2 -16 68917.0 2117.94 5 0 -2 16 71057.4 2154.16 12 0 -2 -16 66768.4 2207.13 5 0 2 17 2770.98 302.597 12 0 -2 17 2915.46 342.731 12 0 -2 -17 2699.07 357.954 5 0 2 18 299.078 127.591 12 0 -2 18 586.798 184.195 12 0 -2 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933.135 2 1 -5 4 9043.15 506.870 3 1 -5 5-119.356 117.266 3 1 5 5 10.6521 79.7877 8 1 5 5-267.546 195.764 2 1 5 6 22309.6 1620.81 2 1 5 7 933.380 334.127 2 1 5 8 23736.9 1824.83 2 1 5 9 40274.3 2494.28 2 -1 -5 -10 44157.3 1431.53 5 1 5 10 36605.7 2493.89 2 -1 -5 -11 498.918 168.670 5 -1 -5 -11 418.505 148.193 10 1 5 11 840.015 453.527 2 -1 -5 -12 4185.58 361.470 10 -1 -5 -12 4596.54 411.142 5 -1 -5 -13 1374.25 199.561 10 -1 -5 -13 1352.03 240.962 5 -1 -5 -14 6042.89 465.394 6 -1 -5 -14 5494.23 433.243 5 -1 -5 -15 1419.06 218.072 5 -1 -5 -15 1286.80 211.463 6 -1 -5 -16 5418.88 378.692 5 -1 -5 -16 5929.67 376.322 6 1 -5 17 2156.30 237.173 3 1 -6 -16 5164.30 334.249 6 1 -6 -15 16.3169 106.237 6 -1 -6 15 231.855 111.217 3 1 -6 -14 14353.2 727.230 6 -1 -6 14 14406.2 693.924 3 1 -6 -13 254.674 166.884 6 -1 -6 13 21.2099 133.119 3 -1 -6 12 1392.53 247.975 3 1 -6 -12 1629.80 300.566 6 1 -6 -12 1520.93 235.019 10 1 -6 -11 61481.0 1871.38 10 1 -6 -10 16370.1 810.157 10 -1 -6 9 751.888 197.602 3 1 -6 -9 646.713 193.660 10 1 -6 -8 60235.1 1885.28 10 1 -6 -7 63006.7 1930.32 10 1 -6 -6 111423. 2963.63 10 1 -6 -5 18896.9 848.068 10 1 -6 -4 32684.4 1171.58 10 1 -6 -3 7758.84 487.209 10 1 6 -2 40158.7 1841.17 2 1 -6 -2 36352.2 1225.10 10 1 -6 -1 2776.39 267.806 10 1 6 -1 2973.87 475.908 2 1 6 0 2526.23 447.679 2 1 -6 0 2500.21 247.711 10 1 -6 1 15611.2 639.541 10 1 -6 1 14586.0 666.024 3 1 6 1 16032.2 1149.16 2 1 6 2 18102.7 1270.48 2 1 -6 2 17609.5 757.919 3 1 -6 3 43704.5 1404.10 3 1 6 3 46849.1 2224.51 2 1 6 3 42845.4 1339.69 8 1 6 4 4504.83 346.942 8 1 6 4 4429.61 700.016 2 1 -6 4 5581.73 421.780 3 1 6 5 7784.35 450.374 8 1 6 5 8192.85 954.605 2 1 -6 5 7644.25 515.308 3 1 -6 6 89553.5 2604.12 3 1 6 6 87073.2 3710.79 2 1 6 7 12848.3 1295.13 2 1 -6 7 14022.6 763.208 3 1 -6 8 206378. 5065.59 3 1 6 8 191680. 6548.40 2 1 -6 9 3706.69 402.781 3 1 6 9 2615.93 593.500 2 -1 -6 -10 19748.5 899.160 10 1 -6 10 18593.7 967.993 3 1 -6 11 46309.9 1666.35 3 -1 -6 -11 45502.6 1520.10 10 -1 -6 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21899.8 896.550 8 -1 -7 -5 64186.6 2038.15 10 1 -7 5 67984.9 2034.63 3 1 7 5 68100.6 1920.09 8 -1 -7 -6 104487. 2922.99 10 1 -7 6 108263. 2929.83 3 1 7 6 106073. 2723.91 8 -1 -7 -7 40544.8 1472.19 10 1 -7 7 39912.1 1451.43 3 1 -7 8 5224.62 464.181 3 -1 -7 -8 5455.08 479.122 10 -1 -7 -9 1746.91 276.023 10 1 -7 9 1454.55 266.049 3 1 -7 10 60303.9 1905.28 3 -1 -7 -10 57553.8 1840.20 10 1 -7 11 3053.03 344.491 3 -1 -7 -11 2728.56 311.516 10 1 -7 12 199.186 127.251 3 -1 -7 -12 71.0539 114.104 10 1 -7 13 164.158 111.892 3 -1 -7 -13 182.364 103.175 10 -1 -7 -13 66.0239 103.138 6 -1 -7 -14 145.071 103.193 6 1 -7 14 206.540 111.530 3 -1 -7 -15 209.477 91.2187 6 1 -8 -13 63.3917 79.1641 6 1 -8 -12 3854.25 317.865 6 1 -8 -11 2121.20 263.630 6 1 -8 -10 22207.5 926.644 6 1 8 -10 20934.2 795.162 8 1 -8 -9 4595.31 401.540 10 1 8 -9 4271.82 358.203 8 1 -8 -8 50399.6 1675.62 10 1 -8 -7-99.2451 145.883 10 1 -8 -6 6349.00 506.587 10 1 -8 -5 18724.5 908.434 10 1 -8 -4 242.387 156.932 10 -1 8 4 164.706 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2867.91 435.503 2 2 4 0 57889.6 2270.07 2 -2 4 0 61750.6 1654.77 2 2 4 1 31534.8 1567.28 2 2 4 2 540.058 267.346 2 2 4 3 3254.80 546.687 2 2 4 4 141334. 4530.06 2 2 4 5 66242.3 2823.19 2 2 4 6 144.070 218.884 2 2 4 7 10320.8 1139.78 2 2 4 8 130450. 4903.17 2 -2 -4 -9 40979.5 1333.55 5 2 -4 9 37462.2 1373.55 12 2 4 9 35695.2 2359.72 2 2 -4 10 56158.2 1846.79 12 2 4 10 56160.9 3124.91 2 -2 -4 -10 58147.8 1787.56 5 2 -4 11 3138.49 372.710 12 -2 -4 -11 3079.97 346.510 5 2 4 12 8874.85 1216.88 2 -2 -4 -12 6274.19 511.776 5 -2 -4 -13 16705.6 870.082 5 -2 -4 -14 33219.8 1193.42 6 -2 -4 -14 31954.4 1287.42 5 -2 -4 -15 1666.31 263.266 5 -2 -4 -15 1853.81 228.208 6 -2 -4 -16 786.596 204.026 5 -2 -4 -17 2762.24 292.376 5 2 -4 18 19926.1 771.579 3 -2 -4 -18 19260.8 726.487 5 2 -5 -17 2242.72 223.130 6 2 -5 -16 2040.77 250.856 6 2 -5 -15 3917.32 375.182 6 2 -5 -14 2401.21 336.655 6 2 -5 -13 141.404 172.534 6 2 -5 -12 4098.05 434.114 6 2 -5 -11 2505.80 293.266 10 2 -5 -11 2546.12 354.933 6 2 -5 -10 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