data_2 _manchester_internal_diff_code astl31 _manchester_internal_STL_name 69 _manchester_internal_STL_number THEW8 _manchester_internal_coll_client EW/STL _manchester_internal_coll_user MG _manchester_internal_coll_date 11/3/16 _manchester_internal_process_date 11/3/16 _manchester_internal_process_user MG _manchester_internal_solution_date 11/3/16 _manchester_internal_solution_user MG _manchester_internal_refinement_date 14/3/16 _manchester_internal_refinement_user EW _manchester_internal_validation_date 14/3/16 _manchester_internal_validation_user EW _manchester_internal_archive_date 15/03/2016 _manchester_internal_archive_user AW _refine_special_details ; The isopropyl groups centred at C4 and C23 were disordered over two orientations. The occupancies of the orientations were allowed to freely refine, converging at final ratios of 0.36946:0.63054 and 0.40739:0.59621 repectively. Chemically equivalent 1,2 and 1,3- C-C distances in the isopropyl groups were restrained to be approximately equal. Global enhanced rigid bond restraints were applied. The hydrogens attached to P1 (H1A and H1B) and P2 (H2A and H2B) were located in the fourier difference map. The P-H distances were restrained to 1.43 \%A; this value was determined by comparison with existing metal-PH containing strutures. The Th-H distance was restrained to approximately 3.79 \%A, to give a Th-P-H angle of approximately 119\%; again this was determined by comparison with existing metal-PH structures. The H-H distance was restrained to approximately 2.245 \%A, to give a H-P-H angle of 106.5\%; this was determined by comparison with existing metal-PH~3~ structures. ; _vrf_PLAT910_2 ; PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min) 35 Note RESPONSE: Missing reflections at low angle are most likely obscured by the beam stop. ; _vrf_PLAT971_2 ; PROBLEM: Check Calcd Residual Density 1.13A From Si6 3.49 eA-3 RESPONSE: The residual density is present despite applying the correct absorption correction and is of no chemical significance. ; _vrf_PLAT973_2 ; PROBLEM: Check Calcd Positive Residual Density on Th1 2.42 eA-3 RESPONSE: The residual density is close to a heavy atom. It is present despite applying the correct absorption correction and is of no chemical significance. ; _audit_creation_date 2016-03-14 _audit_creation_method ; Olex2 1.2 (compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155) ; _shelx_SHELXL_version_number '2014/7' _publ_contact_author_address ? _publ_contact_author_email ? _publ_contact_author_name '' _publ_contact_author_phone ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C33 H77 N4 P Si3 Th' _chemical_formula_sum 'C33 H77 N4 P Si3 Th' _chemical_formula_weight 877.26 _chemical_melting_point ? _chemical_oxdiff_formula C33H77N4ThPSi3 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Th' 'Th' -7.2400 8.8979 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system 'monoclinic' _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/n 1' _space_group_name_Hall '-P 2yn' 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 18.6189(5) _cell_length_b 22.6046(7) _cell_length_c 22.2818(5) _cell_angle_alpha 90 _cell_angle_beta 113.726(3) _cell_angle_gamma 90 _cell_volume 8585.2(4) _cell_formula_units_Z 8 _cell_measurement_reflns_used 18550 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 26.5440 _cell_measurement_theta_min 3.4990 _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 3.620 _exptl_absorpt_correction_T_max 0.865 _exptl_absorpt_correction_T_min 0.620 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.41q (Rigaku Oxford Diffraction, 2015) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour 'clear colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.357 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description block _exptl_crystal_F_000 3600 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 15 -4 -30 0.0746 -26 2 18 0.1989 -18 4 29 0.1268 3 4 27 0.1570 23 -3 -24 0.0710 -1 -32 3 0.0492 9 0 23 0.1696 1 32 -4 0.0328 -3 28 -13 0.0734 -19 -19 -2 0.1927 -9 -3 -23 0.1328 _exptl_crystal_size_max 0.397 _exptl_crystal_size_mid 0.202 _exptl_crystal_size_min 0.088 loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z 15.2924 -3.7775 -30.4968 -0.1938 -0.8075 0.5571 -25.6066 1.9032 18.3969 0.2307 0.9630 0.1394 -18.1416 3.5478 29.2822 0.2101 0.8758 -0.4346 3.2394 3.6986 26.7751 0.0543 0.2248 -0.9729 23.2356 -2.7619 -24.3392 -0.2313 -0.9649 0.1245 -1.1105 -31.7002 3.3972 0.9722 -0.2330 0.0243 9.0690 0.4651 22.6041 0.0851 -0.0209 -0.9962 0.8048 31.5999 -4.1427 -0.9724 0.2331 0.0090 -3.0231 27.9720 -12.5019 -0.8982 0.2218 0.4023 -18.9837 -19.0037 -1.5121 0.6732 0.3587 0.6598 -8.9835 -3.0112 -22.5179 -0.0094 -0.0049 0.9991 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0609 _diffrn_reflns_av_unetI/netI 0.1359 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.855 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 30 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_number 42874 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.855 _diffrn_reflns_theta_full 26.000 _diffrn_reflns_theta_max 29.211 _diffrn_reflns_theta_min 3.282 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 150(2) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 8.0714 _diffrn_detector_type Eos _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.855 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w 26.00 68.00 1.00 20.00 -- 18.86 57.00 0.00 42 2 \w 10.00 86.00 1.00 20.00 -- 18.86 77.00 90.00 76 3 \w 23.00 60.00 1.00 20.00 -- 18.86 -99.00-150.00 37 4 \w -54.00 35.00 1.00 20.00 -- 18.86 -37.00-180.00 89 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Single source at offset, Eos' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0062678000 _diffrn_orient_matrix_UB_12 -0.0297097000 _diffrn_orient_matrix_UB_13 0.0068916000 _diffrn_orient_matrix_UB_21 -0.0292671000 _diffrn_orient_matrix_UB_22 0.0095137000 _diffrn_orient_matrix_UB_23 0.0106236000 _diffrn_orient_matrix_UB_31 -0.0289520000 _diffrn_orient_matrix_UB_32 -0.0032227000 _diffrn_orient_matrix_UB_33 -0.0323874000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 12109 _reflns_number_total 19920 _reflns_odcompleteness_completeness 99.73 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.38.41q (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.41q (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.41q (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _refine_diff_density_max 3.620 _refine_diff_density_min -2.373 _refine_diff_density_rms 0.163 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.981 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 865 _refine_ls_number_reflns 19920 _refine_ls_number_restraints 1765 _refine_ls_R_factor_all 0.1171 _refine_ls_R_factor_gt 0.0584 _refine_ls_restrained_S_all 1.005 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0337P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0990 _refine_ls_wR_factor_ref 0.1192 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups, All P(H,H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances H1A-H1B = H2E-H2D 2.245 with sigma of 0.02 H1A-Th1 = Th1-H1B = H2E-Th2 = Th2-H2D 3.79 with sigma of 0.01 P1-H1B = P1-H1A = P2-H2E = P2-H2D 1.43 with sigma of 0.02 C24A-C23A \\sim C24-C23 \\sim C25A-C23A \\sim C25-C23 \\sim C27-C26 \\sim C28-C26 \\sim C19-C18 \\sim C20- C18 \\sim C17-C15 \\sim C16-C15 \\sim C14-C12 \\sim C13-C12 \\sim C3-C1 \\sim C2-C1 \\sim C5A-C4A \\sim C5-C4 \\sim C6A-C4A \\sim C6-C4 \\sim C8-C7 \\sim C9-C7 \\sim C30-C29 \\sim C31-C29 \\sim C57-C56 \\sim C58-C56 ~ C60-C59 \\sim C61-C59 \\sim C41-C40 \\sim C42-C40 \\sim C63-C62 \\sim C64-C62 \\sim C53-C51 \\sim C52-C51 \\sim C50-C48 \\sim C49-C48 \\sim C47-C45 \\sim C46-C45 \\sim C36-C34 \\sim C35-C34 \\sim C38-C37 \\sim C39-C37 with sigma of 0.02 C17-C16 \\sim C13-C14 \\sim C3-C2 \\sim C9-C8 \\sim C6A-C5A \\sim C5-C6 \\sim C53-C52 \\sim C36-C35 \\sim C39- C38 \\sim C41-C42 \\sim C49-C50 \\sim C46-C47 \\sim C61-C60 \\sim C58-C57 \\sim C63-C64 \\sim C28-C27 ~ C30-C31 \\sim C24A-C25A \\sim C24-C25 \\sim C19-C20 with sigma of 0.01 3. Rigid body (RIGU) restrains All non-hydrogen atoms with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 4. Others Sof(C4A)=Sof(H4A)=Sof(C5A)=Sof(H5AA)=Sof(H5AB)=Sof(H5AC)=Sof(C6A)=Sof(H6AA)= Sof(H6AB)=Sof(H6AC)=1-FVAR(1) Sof(C4)=Sof(H4)=Sof(C5)=Sof(H5A)=Sof(H5B)=Sof(H5C)=Sof(C6)=Sof(H6A)=Sof(H6B)= Sof(H6C)=FVAR(1) Sof(C23)=Sof(H23)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)= Sof(H25B)=Sof(H25C)=1-FVAR(2) Sof(C23A)=Sof(H23A)=Sof(C24A)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25A)= Sof(H25D)=Sof(H25E)=Sof(H25F)=FVAR(2) 5.a Ternary CH refined with riding coordinates: C1(H1), C7(H7), C12(H12), C15(H15), C18(H18), C26(H26), C29(H29), C4(H4), C23(H23), C4A(H4A), C23A(H23A), C34(H34), C37(H37), C40(H40), C45(H45), C48(H48), C51(H51), C56(H56), C59(H59), C62(H62) 5.b Secondary CH2 refined with riding coordinates: C10(H10A,H10B), C11(H11A,H11B), C21(H21A,H21B), C22(H22A,H22B), C32(H32A, H32B), C33(H33A,H33B), C43(H43A,H43B), C44(H44A,H44B), C54(H54A,H54B), C55(H55A,H55B), C65(H65A,H65B), C66(H66A,H66B) 5.c Idealised Me refined as rotating group: C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C13(H13A, H13B,H13C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C27(H27A,H27B,H27C), C28(H28A,H28B, H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C5(H5A,H5B,H5C), C6(H6A,H6B, H6C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C5A(H5AA,H5AB,H5AC), C6A(H6AA, H6AB,H6AC), C24A(H24D,H24E,H24F), C25A(H25D,H25E,H25F), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C41(H41A,H41B, H41C), C42(H42A,H42B,H42C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C49(H49A, H49B,H49C), C50(H50A,H50B,H50C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C), C60(H60A,H60B,H60C), C61(H61A,H61B, H61C), C63(H63A,H63B,H63C), C64(H64A,H64B,H64C) ; _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap 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 Th1 Th 0.11507(2) 0.66248(2) 0.26408(2) 0.02562(8) Uani 1 1 d D U . . . P1 P 0.21514(13) 0.69262(14) 0.19231(11) 0.0561(7) Uani 1 1 d D U . . . H1A H 0.233(3) 0.6422(11) 0.162(2) 0.067 Uiso 1 1 d DR . . . . H1B H 0.176(2) 0.731(2) 0.1370(19) 0.067 Uiso 1 1 d DR . . . . Si1 Si -0.02519(12) 0.58171(13) 0.12087(9) 0.0410(6) Uani 1 1 d . U . . . Si2 Si 0.10956(12) 0.82147(11) 0.29661(10) 0.0341(5) Uani 1 1 d . U . . . Si3 Si 0.25985(11) 0.56941(11) 0.39391(9) 0.0326(5) Uani 1 1 d . U . . . N1 N 0.0148(3) 0.5994(3) 0.2042(2) 0.0306(15) Uani 1 1 d . U . . . N2 N 0.0678(3) 0.7510(3) 0.2811(3) 0.0319(14) Uani 1 1 d . U . . . N3 N 0.1816(3) 0.6192(3) 0.3651(2) 0.0288(14) Uani 1 1 d . U . . . N4 N 0.0179(3) 0.6464(3) 0.3259(2) 0.0255(13) Uani 1 1 d . U . . . C1 C -0.0029(5) 0.6444(4) 0.0760(3) 0.046(2) Uani 1 1 d D U . . . H1 H 0.0556 0.6453 0.0924 0.056 Uiso 1 1 calc R . . . . C2 C -0.0327(5) 0.6348(4) 0.0015(3) 0.074(3) Uani 1 1 d D U . . . H2A H -0.0022 0.6033 -0.0074 0.111 Uiso 1 1 calc GR . . . . H2B H -0.0268 0.6715 -0.0194 0.111 Uiso 1 1 calc GR . . . . H2C H -0.0882 0.6235 -0.0161 0.111 Uiso 1 1 calc GR . . . . C3 C -0.0267(6) 0.7069(4) 0.0879(4) 0.088(4) Uani 1 1 d D U . . . H3A H -0.0840 0.7104 0.0679 0.132 Uiso 1 1 calc GR . . . . H3B H -0.0038 0.7360 0.0682 0.132 Uiso 1 1 calc GR . . . . H3C H -0.0076 0.7141 0.1352 0.132 Uiso 1 1 calc GR . . . . C7 C 0.0243(5) 0.5128(4) 0.1053(4) 0.058(2) Uani 1 1 d D U . . . H7 H -0.0015 0.5039 0.0573 0.069 Uiso 1 1 calc R . . . . C8 C 0.1113(5) 0.5240(5) 0.1218(5) 0.098(4) Uani 1 1 d D U . . . H8A H 0.1164 0.5562 0.0943 0.147 Uiso 1 1 calc GR . . . . H8B H 0.1351 0.4880 0.1136 0.147 Uiso 1 1 calc GR . . . . H8C H 0.1379 0.5351 0.1681 0.147 Uiso 1 1 calc GR . . . . C9 C 0.0131(5) 0.4595(4) 0.1414(4) 0.069(3) Uani 1 1 d D U . . . H9A H 0.0375 0.4669 0.1887 0.104 Uiso 1 1 calc GR . . . . H9B H 0.0376 0.4249 0.1309 0.104 Uiso 1 1 calc GR . . . . H9C H -0.0431 0.4521 0.1279 0.104 Uiso 1 1 calc GR . . . . C10 C -0.0174(4) 0.5663(4) 0.2461(3) 0.0363(18) Uani 1 1 d . U . . . H10A H 0.0242 0.5411 0.2776 0.044 Uiso 1 1 calc R . . . . H10B H -0.0607 0.5402 0.2182 0.044 Uiso 1 1 calc R . . . . C11 C -0.0474(4) 0.6085(4) 0.2829(3) 0.0333(18) Uani 1 1 d . U . . . H11A H -0.0895 0.6334 0.2515 0.040 Uiso 1 1 calc R . . . . H11B H -0.0695 0.5861 0.3096 0.040 Uiso 1 1 calc R . . . . C12 C 0.0610(4) 0.8740(4) 0.2248(4) 0.053(2) Uani 1 1 d D U . . . H12 H 0.0859 0.9137 0.2388 0.063 Uiso 1 1 calc R . . . . C13 C -0.0279(4) 0.8820(5) 0.2051(4) 0.088(4) Uani 1 1 d D U . . . H13A H -0.0551 0.8450 0.1862 0.132 Uiso 1 1 calc GR . . . . H13B H -0.0474 0.9138 0.1726 0.132 Uiso 1 1 calc GR . . . . H13C H -0.0376 0.8922 0.2439 0.132 Uiso 1 1 calc GR . . . . C14 C 0.0753(5) 0.8555(5) 0.1642(4) 0.070(3) Uani 1 1 d D U . . . H14A H 0.1319 0.8539 0.1755 0.105 Uiso 1 1 calc GR . . . . H14B H 0.0510 0.8845 0.1291 0.105 Uiso 1 1 calc GR . . . . H14C H 0.0523 0.8164 0.1494 0.105 Uiso 1 1 calc GR . . . . C15 C 0.0995(4) 0.8554(4) 0.3721(4) 0.050(2) Uani 1 1 d D U . . . H15 H 0.0443 0.8484 0.3669 0.060 Uiso 1 1 calc R . . . . C16 C 0.1530(4) 0.8265(4) 0.4363(3) 0.056(2) Uani 1 1 d D U . . . H16A H 0.1455 0.7835 0.4328 0.083 Uiso 1 1 calc GR . . . . H16B H 0.1400 0.8414 0.4720 0.083 Uiso 1 1 calc GR . . . . H16C H 0.2077 0.8359 0.4454 0.083 Uiso 1 1 calc GR . . . . C17 C 0.1125(6) 0.9228(4) 0.3762(5) 0.091(4) Uani 1 1 d D U . . . H17A H 0.1665 0.9315 0.3821 0.137 Uiso 1 1 calc GR . . . . H17B H 0.1033 0.9386 0.4135 0.137 Uiso 1 1 calc GR . . . . H17C H 0.0760 0.9413 0.3356 0.137 Uiso 1 1 calc GR . . . . C18 C 0.2146(4) 0.8139(3) 0.3072(3) 0.0345(18) Uani 1 1 d D U . . . H18 H 0.2121 0.7968 0.2651 0.041 Uiso 1 1 calc R . . . . C19 C 0.2673(4) 0.7715(3) 0.3610(3) 0.041(2) Uani 1 1 d D U . . . H19A H 0.2816 0.7900 0.4040 0.062 Uiso 1 1 calc GR . . . . H19B H 0.3149 0.7630 0.3540 0.062 Uiso 1 1 calc GR . . . . H19C H 0.2388 0.7346 0.3591 0.062 Uiso 1 1 calc GR . . . . C20 C 0.2579(4) 0.8734(3) 0.3145(4) 0.059(3) Uani 1 1 d D U . . . H20A H 0.2259 0.9004 0.2795 0.089 Uiso 1 1 calc GR . . . . H20B H 0.3084 0.8668 0.3116 0.089 Uiso 1 1 calc GR . . . . H20C H 0.2669 0.8910 0.3572 0.089 Uiso 1 1 calc GR . . . . C21 C -0.0129(4) 0.7459(4) 0.2813(3) 0.0379(19) Uani 1 1 d . U . . . H21A H -0.0315 0.7855 0.2875 0.045 Uiso 1 1 calc R . . . . H21B H -0.0500 0.7301 0.2386 0.045 Uiso 1 1 calc R . . . . C22 C -0.0104(4) 0.7054(4) 0.3354(3) 0.0309(17) Uani 1 1 d . U . . . H22A H 0.0252 0.7219 0.3782 0.037 Uiso 1 1 calc R . . . . H22B H -0.0635 0.7019 0.3352 0.037 Uiso 1 1 calc R . . . . C26 C 0.3385(4) 0.5929(4) 0.4749(3) 0.047(2) Uani 1 1 d D U . . . H26 H 0.3148 0.5849 0.5072 0.056 Uiso 1 1 calc R . . . . C27 C 0.3580(5) 0.6578(4) 0.4835(5) 0.094(4) Uani 1 1 d D U . . . H27A H 0.3841 0.6692 0.4548 0.141 Uiso 1 1 calc GR . . . . H27B H 0.3929 0.6656 0.5292 0.141 Uiso 1 1 calc GR . . . . H27C H 0.3096 0.6807 0.4719 0.141 Uiso 1 1 calc GR . . . . C28 C 0.4127(4) 0.5552(4) 0.4994(4) 0.065(3) Uani 1 1 d D U . . . H28A H 0.3984 0.5133 0.4918 0.098 Uiso 1 1 calc GR . . . . H28B H 0.4424 0.5620 0.5464 0.098 Uiso 1 1 calc GR . . . . H28C H 0.4451 0.5661 0.4756 0.098 Uiso 1 1 calc GR . . . . C29 C 0.2974(4) 0.5638(4) 0.3271(4) 0.050(2) Uani 1 1 d D U . . . H29 H 0.2512 0.5634 0.2839 0.061 Uiso 1 1 calc R . . . . C30 C 0.3482(5) 0.5091(4) 0.3307(5) 0.080(3) Uani 1 1 d D U . . . H30A H 0.3940 0.5089 0.3727 0.120 Uiso 1 1 calc GR . . . . H30B H 0.3658 0.5105 0.2947 0.120 Uiso 1 1 calc GR . . . . H30C H 0.3173 0.4731 0.3269 0.120 Uiso 1 1 calc GR . . . . C31 C 0.3494(5) 0.6201(4) 0.3295(4) 0.078(3) Uani 1 1 d D U . . . H31A H 0.3175 0.6559 0.3229 0.117 Uiso 1 1 calc GR . . . . H31B H 0.3689 0.6171 0.2948 0.117 Uiso 1 1 calc GR . . . . H31C H 0.3938 0.6220 0.3722 0.117 Uiso 1 1 calc GR . . . . C32 C 0.1486(3) 0.6358(4) 0.4132(3) 0.0318(18) Uani 1 1 d . U . . . H32A H 0.1522 0.6792 0.4198 0.038 Uiso 1 1 calc R . . . . H32B H 0.1795 0.6167 0.4559 0.038 Uiso 1 1 calc R . . . . C33 C 0.0638(3) 0.6166(4) 0.3892(3) 0.0329(19) Uani 1 1 d . U . . . H33A H 0.0600 0.5732 0.3832 0.039 Uiso 1 1 calc R . . . . H33B H 0.0425 0.6274 0.4219 0.039 Uiso 1 1 calc R . . . . C4 C -0.1293(9) 0.5521(13) 0.0911(7) 0.055(5) Uani 0.54(3) 1 d D U P A 1 H4 H -0.1291 0.5194 0.1214 0.065 Uiso 0.54(3) 1 calc R . P A 1 C5 C -0.1599(10) 0.5264(11) 0.0222(8) 0.066(8) Uani 0.54(3) 1 d D U P A 1 H5A H -0.1636 0.5579 -0.0092 0.099 Uiso 0.54(3) 1 calc GR . P A 1 H5B H -0.2118 0.5091 0.0113 0.099 Uiso 0.54(3) 1 calc GR . P A 1 H5C H -0.1237 0.4958 0.0201 0.099 Uiso 0.54(3) 1 calc GR . P A 1 C6 C -0.1820(10) 0.6001(15) 0.0973(10) 0.069(8) Uani 0.54(3) 1 d D U P A 1 H6A H -0.1615 0.6143 0.1427 0.104 Uiso 0.54(3) 1 calc GR . P A 1 H6B H -0.2350 0.5842 0.0852 0.104 Uiso 0.54(3) 1 calc GR . P A 1 H6C H -0.1838 0.6329 0.0680 0.104 Uiso 0.54(3) 1 calc GR . P A 1 C23 C 0.2312(17) 0.4975(14) 0.4231(14) 0.047(5) Uani 0.43(4) 1 d D U P B 1 H23 H 0.2801 0.4732 0.4378 0.056 Uiso 0.43(4) 1 calc R . P B 1 C24 C 0.1708(17) 0.4599(14) 0.3696(17) 0.068(9) Uani 0.43(4) 1 d D U P B 1 H24A H 0.1188 0.4780 0.3562 0.102 Uiso 0.43(4) 1 calc GR . P B 1 H24B H 0.1699 0.4200 0.3865 0.102 Uiso 0.43(4) 1 calc GR . P B 1 H24C H 0.1850 0.4576 0.3318 0.102 Uiso 0.43(4) 1 calc GR . P B 1 C25 C 0.2111(18) 0.4990(9) 0.4835(14) 0.056(7) Uani 0.43(4) 1 d D U P B 1 H25A H 0.2576 0.5107 0.5221 0.084 Uiso 0.43(4) 1 calc GR . P B 1 H25B H 0.1940 0.4596 0.4907 0.084 Uiso 0.43(4) 1 calc GR . P B 1 H25C H 0.1688 0.5275 0.4763 0.084 Uiso 0.43(4) 1 calc GR . P B 1 C4A C -0.1385(11) 0.5813(13) 0.0907(9) 0.054(6) Uani 0.46(3) 1 d D U P A 2 H4A H -0.1454 0.5588 0.1266 0.065 Uiso 0.46(3) 1 calc R . P A 2 C5A C -0.1844(14) 0.5438(12) 0.0320(14) 0.093(10) Uani 0.46(3) 1 d D U P A 2 H5AA H -0.1656 0.5508 -0.0026 0.139 Uiso 0.46(3) 1 calc GR . P A 2 H5AB H -0.2402 0.5541 0.0159 0.139 Uiso 0.46(3) 1 calc GR . P A 2 H5AC H -0.1775 0.5019 0.0446 0.139 Uiso 0.46(3) 1 calc GR . P A 2 C6A C -0.1794(10) 0.6389(12) 0.0916(11) 0.063(7) Uani 0.46(3) 1 d D U P A 2 H6AA H -0.1477 0.6614 0.1310 0.094 Uiso 0.46(3) 1 calc GR . P A 2 H6AB H -0.2309 0.6305 0.0918 0.094 Uiso 0.46(3) 1 calc GR . P A 2 H6AC H -0.1860 0.6621 0.0525 0.094 Uiso 0.46(3) 1 calc GR . P A 2 C23A C 0.2321(12) 0.4899(11) 0.4032(10) 0.048(5) Uani 0.57(4) 1 d D U P B 2 H23A H 0.2811 0.4657 0.4174 0.058 Uiso 0.57(4) 1 calc R . P B 2 C24A C 0.1739(11) 0.4641(10) 0.3375(11) 0.061(6) Uani 0.57(4) 1 d D U P B 2 H24D H 0.1227 0.4832 0.3251 0.091 Uiso 0.57(4) 1 calc GR . P B 2 H24E H 0.1685 0.4214 0.3423 0.091 Uiso 0.57(4) 1 calc GR . P B 2 H24F H 0.1936 0.4712 0.3035 0.091 Uiso 0.57(4) 1 calc GR . P B 2 C25A C 0.1984(12) 0.4821(11) 0.4552(11) 0.054(6) Uani 0.57(4) 1 d D U P B 2 H25D H 0.2299 0.5049 0.4944 0.081 Uiso 0.57(4) 1 calc GR . P B 2 H25E H 0.1998 0.4401 0.4667 0.081 Uiso 0.57(4) 1 calc GR . P B 2 H25F H 0.1441 0.4962 0.4377 0.081 Uiso 0.57(4) 1 calc GR . P B 2 Th2 Th 0.40233(2) 0.26349(2) 0.77138(2) 0.03142(9) Uani 1 1 d D U . . . P2 P 0.24858(12) 0.30796(16) 0.76763(12) 0.0670(9) Uani 1 1 d D U . . . H2D H 0.1848(8) 0.270(2) 0.731(3) 0.080 Uiso 1 1 d DR . . . . H2E H 0.2472(15) 0.313(3) 0.8300(11) 0.080 Uiso 1 1 d DR . . . . Si4 Si 0.52745(12) 0.36525(12) 0.89688(10) 0.0397(6) Uani 1 1 d . U . . . Si5 Si 0.34842(12) 0.11748(13) 0.81574(10) 0.0400(6) Uani 1 1 d . U . . . Si6 Si 0.35410(14) 0.32162(17) 0.60745(11) 0.0676(10) Uani 1 1 d . U . . . N5 N 0.5106(3) 0.2961(3) 0.8589(2) 0.0308(14) Uani 1 1 d . U . . . N6 N 0.3955(3) 0.1623(3) 0.7793(3) 0.0359(15) Uani 1 1 d . U . . . N7 N 0.4214(3) 0.2903(3) 0.6789(3) 0.0432(19) Uani 1 1 d . U . . . N8 N 0.5338(3) 0.2130(3) 0.7725(3) 0.0293(14) Uani 1 1 d . U . . . C34 C 0.6086(4) 0.4106(5) 0.8880(4) 0.057(2) Uani 1 1 d D U . . . H34 H 0.6030 0.4515 0.9025 0.069 Uiso 1 1 calc R . . . . C35 C 0.6932(4) 0.3930(5) 0.9274(4) 0.089(4) Uani 1 1 d D U . . . H35A H 0.7037 0.3928 0.9742 0.133 Uiso 1 1 calc GR . . . . H35B H 0.7281 0.4214 0.9193 0.133 Uiso 1 1 calc GR . . . . H35C H 0.7024 0.3534 0.9141 0.133 Uiso 1 1 calc GR . . . . C36 C 0.5965(5) 0.4161(5) 0.8143(4) 0.079(3) Uani 1 1 d D U . . . H36A H 0.6148 0.3798 0.8008 0.119 Uiso 1 1 calc GR . . . . H36B H 0.6264 0.4499 0.8092 0.119 Uiso 1 1 calc GR . . . . H36C H 0.5406 0.4218 0.7869 0.119 Uiso 1 1 calc GR . . . . C37 C 0.5666(5) 0.3572(4) 0.9915(4) 0.064(3) Uani 1 1 d D U . . . H37 H 0.6217 0.3424 1.0064 0.077 Uiso 1 1 calc R . . . . C38 C 0.5718(6) 0.4172(4) 1.0247(4) 0.110(4) Uani 1 1 d D U . . . H38A H 0.6065 0.4435 1.0136 0.164 Uiso 1 1 calc GR . . . . H38B H 0.5928 0.4118 1.0724 0.164 Uiso 1 1 calc GR . . . . H38C H 0.5193 0.4349 1.0095 0.164 Uiso 1 1 calc GR . . . . C39 C 0.5233(5) 0.3125(4) 1.0154(4) 0.061(3) Uani 1 1 d D U . . . H39A H 0.4692 0.3258 1.0035 0.092 Uiso 1 1 calc GR . . . . H39B H 0.5498 0.3087 1.0631 0.092 Uiso 1 1 calc GR . . . . H39C H 0.5230 0.2740 0.9950 0.092 Uiso 1 1 calc GR . . . . C40 C 0.4331(5) 0.4060(4) 0.8595(4) 0.059(2) Uani 1 1 d D U . . . H40 H 0.4041 0.3876 0.8155 0.071 Uiso 1 1 calc R . . . . C41 C 0.4374(5) 0.4725(4) 0.8469(5) 0.080(3) Uani 1 1 d D U . . . H41A H 0.4641 0.4931 0.8888 0.121 Uiso 1 1 calc GR . . . . H41B H 0.3842 0.4883 0.8245 0.121 Uiso 1 1 calc GR . . . . H41C H 0.4668 0.4786 0.8194 0.121 Uiso 1 1 calc GR . . . . C42 C 0.3792(4) 0.3982(4) 0.8975(4) 0.074(3) Uani 1 1 d D U . . . H42A H 0.3686 0.3560 0.9002 0.111 Uiso 1 1 calc GR . . . . H42B H 0.3296 0.4192 0.8742 0.111 Uiso 1 1 calc GR . . . . H42C H 0.4055 0.4145 0.9418 0.111 Uiso 1 1 calc GR . . . . C43 C 0.5767(4) 0.2537(4) 0.8834(3) 0.037(2) Uani 1 1 d . U . . . H43A H 0.5603 0.2174 0.8993 0.044 Uiso 1 1 calc R . . . . H43B H 0.6213 0.2714 0.9205 0.044 Uiso 1 1 calc R . . . . C44 C 0.6021(4) 0.2382(4) 0.8286(3) 0.0334(18) Uani 1 1 d . U . . . H44A H 0.6212 0.2741 0.8142 0.040 Uiso 1 1 calc R . . . . H44B H 0.6453 0.2090 0.8444 0.040 Uiso 1 1 calc R . . . . C45 C 0.4168(4) 0.0570(4) 0.8662(3) 0.050(2) Uani 1 1 d D U . . . H45 H 0.4422 0.0405 0.8379 0.061 Uiso 1 1 calc R . . . . C46 C 0.4840(4) 0.0789(4) 0.9285(3) 0.067(3) Uani 1 1 d D U . . . H46A H 0.5092 0.1131 0.9181 0.101 Uiso 1 1 calc GR . . . . H46B H 0.5226 0.0472 0.9466 0.101 Uiso 1 1 calc GR . . . . H46C H 0.4633 0.0904 0.9609 0.101 Uiso 1 1 calc GR . . . . C47 C 0.3755(5) 0.0048(4) 0.8826(4) 0.073(3) Uani 1 1 d D U . . . H47A H 0.3473 0.0188 0.9087 0.110 Uiso 1 1 calc GR . . . . H47B H 0.4146 -0.0247 0.9077 0.110 Uiso 1 1 calc GR . . . . H47C H 0.3383 -0.0131 0.8419 0.110 Uiso 1 1 calc GR . . . . C48 C 0.3108(4) 0.1667(4) 0.8648(3) 0.045(2) Uani 1 1 d D U . . . H48 H 0.2747 0.1954 0.8326 0.054 Uiso 1 1 calc R . . . . C49 C 0.3721(4) 0.2050(4) 0.9180(3) 0.055(3) Uani 1 1 d D U . . . H49A H 0.4002 0.1808 0.9570 0.083 Uiso 1 1 calc GR . . . . H49B H 0.3458 0.2378 0.9297 0.083 Uiso 1 1 calc GR . . . . H49C H 0.4095 0.2208 0.9013 0.083 Uiso 1 1 calc GR . . . . C50 C 0.2600(4) 0.1342(4) 0.8939(4) 0.060(3) Uani 1 1 d D U . . . H50A H 0.2206 0.1103 0.8597 0.090 Uiso 1 1 calc GR . . . . H50B H 0.2337 0.1631 0.9109 0.090 Uiso 1 1 calc GR . . . . H50C H 0.2932 0.1084 0.9296 0.090 Uiso 1 1 calc GR . . . . C51 C 0.2591(4) 0.0787(4) 0.7517(3) 0.049(2) Uani 1 1 d D U . . . H51 H 0.2388 0.0504 0.7757 0.059 Uiso 1 1 calc R . . . . C52 C 0.1932(4) 0.1228(4) 0.7161(4) 0.062(3) Uani 1 1 d D U . . . H52A H 0.1793 0.1440 0.7483 0.092 Uiso 1 1 calc GR . . . . H52B H 0.1471 0.1014 0.6857 0.092 Uiso 1 1 calc GR . . . . H52C H 0.2109 0.1511 0.6917 0.092 Uiso 1 1 calc GR . . . . C53 C 0.2790(4) 0.0426(4) 0.7026(4) 0.073(3) Uani 1 1 d D U . . . H53A H 0.3015 0.0687 0.6796 0.109 Uiso 1 1 calc GR . . . . H53B H 0.2312 0.0242 0.6709 0.109 Uiso 1 1 calc GR . . . . H53C H 0.3171 0.0118 0.7259 0.109 Uiso 1 1 calc GR . . . . C54 C 0.4406(4) 0.1313(4) 0.7480(3) 0.043(2) Uani 1 1 d . U . . . H54A H 0.4195 0.1415 0.7008 0.051 Uiso 1 1 calc R . . . . H54B H 0.4353 0.0880 0.7519 0.051 Uiso 1 1 calc R . . . . C55 C 0.5266(4) 0.1486(4) 0.7804(3) 0.0367(18) Uani 1 1 d . U . . . H55A H 0.5479 0.1383 0.8276 0.044 Uiso 1 1 calc R . . . . H55B H 0.5569 0.1268 0.7598 0.044 Uiso 1 1 calc R . . . . C56 C 0.3724(5) 0.3029(5) 0.5343(3) 0.074(3) Uani 1 1 d D U . . . H56 H 0.4264 0.3162 0.5412 0.089 Uiso 1 1 calc R . . . . C57 C 0.3678(8) 0.2319(5) 0.5278(5) 0.139(5) Uani 1 1 d D U . . . H57A H 0.4177 0.2147 0.5578 0.209 Uiso 1 1 calc GR . . . . H57B H 0.3578 0.2206 0.4827 0.209 Uiso 1 1 calc GR . . . . H57C H 0.3253 0.2173 0.5391 0.209 Uiso 1 1 calc GR . . . . C58 C 0.3143(6) 0.3278(5) 0.4697(4) 0.098(4) Uani 1 1 d D U . . . H58A H 0.2608 0.3175 0.4641 0.147 Uiso 1 1 calc GR . . . . H58B H 0.3248 0.3110 0.4335 0.147 Uiso 1 1 calc GR . . . . H58C H 0.3196 0.3709 0.4698 0.147 Uiso 1 1 calc GR . . . . C59 C 0.3617(5) 0.4084(5) 0.6091(4) 0.073(3) Uani 1 1 d D U . . . H59 H 0.3205 0.4236 0.5672 0.087 Uiso 1 1 calc R . . . . C60 C 0.4399(5) 0.4290(6) 0.6121(5) 0.100(4) Uani 1 1 d D U . . . H60A H 0.4818 0.4124 0.6512 0.150 Uiso 1 1 calc GR . . . . H60B H 0.4422 0.4723 0.6143 0.150 Uiso 1 1 calc GR . . . . H60C H 0.4466 0.4156 0.5729 0.150 Uiso 1 1 calc GR . . . . C61 C 0.3442(5) 0.4339(6) 0.6661(4) 0.096(4) Uani 1 1 d D U . . . H61A H 0.2946 0.4176 0.6642 0.143 Uiso 1 1 calc GR . . . . H61B H 0.3403 0.4771 0.6622 0.143 Uiso 1 1 calc GR . . . . H61C H 0.3867 0.4231 0.7079 0.143 Uiso 1 1 calc GR . . . . C62 C 0.2562(4) 0.3063(4) 0.6079(3) 0.052(2) Uani 1 1 d D U . . . H62 H 0.2581 0.3193 0.6514 0.062 Uiso 1 1 calc R . . . . C63 C 0.1834(4) 0.3340(4) 0.5553(4) 0.083(4) Uani 1 1 d D U . . . H63A H 0.1808 0.3760 0.5652 0.125 Uiso 1 1 calc GR . . . . H63B H 0.1364 0.3138 0.5544 0.125 Uiso 1 1 calc GR . . . . H63C H 0.1861 0.3301 0.5124 0.125 Uiso 1 1 calc GR . . . . C64 C 0.2412(6) 0.2366(4) 0.6026(5) 0.108(4) Uani 1 1 d D U . . . H64A H 0.2101 0.2259 0.5567 0.162 Uiso 1 1 calc GR . . . . H64B H 0.2128 0.2252 0.6294 0.162 Uiso 1 1 calc GR . . . . H64C H 0.2917 0.2158 0.6182 0.162 Uiso 1 1 calc GR . . . . C65 C 0.5045(4) 0.2866(4) 0.6855(3) 0.044(2) Uani 1 1 d . U . . . H65A H 0.5363 0.3170 0.7169 0.053 Uiso 1 1 calc R . . . . H65B H 0.5063 0.2949 0.6425 0.053 Uiso 1 1 calc R . . . . C66 C 0.5391(4) 0.2266(4) 0.7089(3) 0.039(2) Uani 1 1 d . U . . . H66A H 0.5102 0.1963 0.6759 0.046 Uiso 1 1 calc R . . . . H66B H 0.5947 0.2260 0.7147 0.046 Uiso 1 1 calc R . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Th1 0.02769(14) 0.02813(19) 0.02231(12) 0.00231(13) 0.01137(10) 0.00197(13) P1 0.0660(15) 0.062(2) 0.0611(14) 0.0019(15) 0.0475(12) -0.0033(15) Si1 0.0426(12) 0.0505(19) 0.0249(9) -0.0082(11) 0.0084(9) -0.0053(12) Si2 0.0384(12) 0.0225(15) 0.0423(11) 0.0034(11) 0.0171(9) 0.0029(10) Si3 0.0279(11) 0.0271(15) 0.0340(10) 0.0020(10) 0.0033(8) -0.0010(10) N1 0.033(3) 0.031(4) 0.026(2) -0.002(3) 0.010(2) 0.001(3) N2 0.029(3) 0.029(4) 0.039(3) 0.000(3) 0.015(2) 0.000(2) N3 0.028(3) 0.031(4) 0.026(3) 0.001(3) 0.010(2) -0.001(3) N4 0.022(3) 0.031(4) 0.024(2) -0.001(2) 0.010(2) -0.002(2) C1 0.059(5) 0.045(5) 0.031(3) -0.003(3) 0.013(3) 0.001(4) C2 0.108(7) 0.079(9) 0.033(4) -0.009(4) 0.025(4) -0.019(7) C3 0.146(9) 0.062(7) 0.054(5) 0.004(5) 0.039(6) 0.029(6) C7 0.092(5) 0.043(5) 0.050(4) -0.005(4) 0.041(4) 0.001(4) C8 0.112(6) 0.047(8) 0.169(10) 0.001(8) 0.093(7) 0.010(6) C9 0.121(7) 0.049(6) 0.051(5) -0.007(5) 0.049(5) -0.010(5) C10 0.041(4) 0.032(5) 0.032(3) 0.000(3) 0.010(3) 0.001(3) C11 0.030(3) 0.037(5) 0.032(3) -0.002(3) 0.011(3) -0.005(3) C12 0.049(4) 0.041(6) 0.065(4) 0.023(4) 0.020(4) 0.005(4) C13 0.055(5) 0.090(11) 0.109(7) 0.060(7) 0.024(5) 0.026(5) C14 0.073(6) 0.075(9) 0.054(5) 0.029(5) 0.018(4) 0.015(6) C15 0.050(5) 0.042(6) 0.066(4) -0.014(4) 0.030(4) 0.000(4) C16 0.061(5) 0.056(7) 0.057(4) -0.021(4) 0.032(4) -0.016(5) C17 0.141(9) 0.043(6) 0.113(8) -0.019(5) 0.075(7) 0.001(6) C18 0.040(4) 0.026(5) 0.041(4) -0.001(3) 0.020(3) -0.002(3) C19 0.034(4) 0.035(5) 0.053(4) -0.002(4) 0.016(3) -0.005(4) C20 0.054(5) 0.039(6) 0.085(6) 0.005(5) 0.028(4) -0.010(4) C21 0.032(4) 0.040(5) 0.045(4) 0.005(4) 0.018(3) 0.001(3) C22 0.029(4) 0.031(4) 0.035(3) -0.004(3) 0.014(3) -0.004(3) C26 0.040(4) 0.046(5) 0.042(4) 0.000(4) 0.003(3) -0.002(4) C27 0.079(7) 0.054(6) 0.088(7) 0.001(5) -0.031(6) -0.011(5) C28 0.037(4) 0.062(7) 0.069(5) 0.010(5) -0.009(4) -0.001(4) C29 0.040(4) 0.059(6) 0.047(4) -0.006(4) 0.012(3) 0.007(4) C30 0.083(6) 0.062(7) 0.096(7) -0.017(6) 0.038(6) 0.016(5) C31 0.074(6) 0.078(8) 0.086(7) 0.000(6) 0.036(5) 0.010(5) C32 0.032(3) 0.035(5) 0.022(3) 0.002(3) 0.004(2) 0.000(3) C33 0.033(3) 0.045(5) 0.021(3) 0.005(3) 0.011(2) 0.000(3) C4 0.051(6) 0.063(13) 0.041(7) -0.021(8) 0.010(5) -0.005(6) C5 0.035(10) 0.10(2) 0.050(8) -0.037(10) 0.006(7) -0.008(10) C6 0.049(8) 0.081(18) 0.062(11) -0.030(12) 0.006(8) 0.008(9) C23 0.050(11) 0.033(8) 0.062(11) 0.007(7) 0.025(8) 0.001(7) C24 0.081(15) 0.059(15) 0.076(14) 0.000(11) 0.043(12) -0.039(13) C25 0.054(15) 0.056(17) 0.064(12) 0.022(9) 0.032(12) 0.018(11) C4A 0.047(6) 0.069(14) 0.043(9) -0.004(8) 0.014(5) -0.007(6) C5A 0.043(11) 0.13(2) 0.096(14) -0.055(14) 0.016(10) -0.004(11) C6A 0.048(10) 0.088(16) 0.047(12) -0.007(10) 0.012(8) 0.005(9) C23A 0.031(8) 0.033(7) 0.064(9) 0.008(6) 0.000(6) -0.001(5) C24A 0.053(10) 0.033(11) 0.077(10) 0.009(8) 0.006(8) -0.022(8) C25A 0.045(9) 0.031(12) 0.074(11) 0.017(8) 0.013(9) -0.005(9) Th2 0.02011(14) 0.0431(2) 0.02921(13) 0.00099(14) 0.00796(10) 0.00268(13) P2 0.0318(12) 0.103(3) 0.0672(15) -0.0156(17) 0.0213(11) 0.0126(14) Si4 0.0446(12) 0.0325(17) 0.0492(12) -0.0091(12) 0.0263(10) 0.0015(11) Si5 0.0398(12) 0.0483(19) 0.0404(11) -0.0039(12) 0.0249(10) -0.0108(12) Si6 0.0501(14) 0.107(3) 0.0409(12) 0.0256(16) 0.0137(11) 0.0194(16) N5 0.024(3) 0.033(4) 0.034(3) -0.005(3) 0.011(2) 0.004(3) N6 0.032(3) 0.045(4) 0.034(3) -0.012(3) 0.016(2) -0.011(3) N7 0.030(3) 0.060(5) 0.036(3) 0.016(3) 0.010(2) 0.007(3) N8 0.026(3) 0.032(4) 0.032(3) -0.004(3) 0.014(2) -0.003(3) C34 0.051(4) 0.038(6) 0.083(5) -0.016(5) 0.027(4) -0.008(4) C35 0.060(5) 0.065(9) 0.138(8) -0.018(7) 0.037(5) -0.011(5) C36 0.095(7) 0.063(9) 0.102(6) -0.010(6) 0.064(5) -0.011(6) C37 0.069(5) 0.068(7) 0.053(4) -0.011(4) 0.022(4) 0.012(5) C38 0.183(11) 0.080(8) 0.054(6) -0.025(6) 0.036(6) 0.011(7) C39 0.061(5) 0.074(7) 0.050(5) -0.002(5) 0.025(4) 0.014(5) C40 0.056(4) 0.047(6) 0.077(5) -0.003(5) 0.030(4) 0.005(4) C41 0.096(7) 0.051(7) 0.104(8) 0.010(6) 0.051(6) 0.013(5) C42 0.068(6) 0.069(9) 0.100(7) 0.000(6) 0.048(5) 0.016(6) C43 0.023(3) 0.044(5) 0.035(3) -0.010(3) 0.003(3) 0.005(3) C44 0.021(3) 0.034(5) 0.039(3) -0.007(3) 0.007(3) 0.002(3) C45 0.053(4) 0.055(6) 0.057(4) 0.000(4) 0.036(3) 0.000(4) C46 0.073(5) 0.073(8) 0.054(4) 0.017(5) 0.024(4) 0.000(5) C47 0.082(6) 0.064(7) 0.093(7) 0.017(6) 0.056(5) 0.001(5) C48 0.046(4) 0.058(6) 0.040(4) 0.001(4) 0.026(3) -0.003(4) C49 0.064(5) 0.062(7) 0.050(4) -0.009(5) 0.034(4) 0.000(5) C50 0.062(5) 0.081(8) 0.057(5) -0.005(5) 0.044(4) -0.008(5) C51 0.046(4) 0.056(6) 0.054(4) -0.006(4) 0.030(3) -0.021(4) C52 0.045(4) 0.070(7) 0.063(5) -0.010(5) 0.015(4) -0.019(4) C53 0.063(5) 0.086(8) 0.082(6) -0.036(6) 0.042(5) -0.032(5) C54 0.049(4) 0.042(5) 0.048(4) -0.007(4) 0.031(3) -0.018(4) C55 0.046(4) 0.029(4) 0.041(4) -0.006(3) 0.025(3) -0.001(3) C56 0.073(6) 0.111(9) 0.037(4) 0.009(5) 0.019(4) 0.019(6) C57 0.195(13) 0.128(9) 0.063(7) -0.006(7) 0.019(8) 0.039(8) C58 0.129(8) 0.120(11) 0.037(4) 0.017(6) 0.025(5) 0.043(8) C59 0.070(5) 0.070(6) 0.069(5) 0.020(5) 0.019(4) 0.014(5) C60 0.079(6) 0.090(10) 0.137(9) 0.041(8) 0.051(6) 0.011(6) C61 0.100(7) 0.097(10) 0.091(7) -0.005(7) 0.040(6) 0.012(7) C62 0.034(4) 0.082(7) 0.030(4) 0.006(4) 0.003(3) 0.002(4) C63 0.050(5) 0.123(11) 0.062(5) 0.026(6) 0.008(4) 0.021(6) C64 0.097(8) 0.107(8) 0.092(8) 0.020(6) 0.008(6) -0.021(6) C65 0.034(4) 0.061(6) 0.040(4) 0.019(4) 0.018(3) 0.004(4) C66 0.031(4) 0.051(6) 0.039(3) 0.006(3) 0.019(3) -0.003(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Th1 P1 2.982(2) . ? Th1 N1 2.301(6) . ? Th1 N2 2.279(6) . ? Th1 N3 2.305(5) . ? Th1 N4 2.703(5) . ? P1 H1A 1.437(18) . ? P1 H1B 1.448(18) . ? Si1 N1 1.746(5) . ? Si1 C1 1.874(9) . ? Si1 C7 1.911(9) . ? Si1 C4 1.901(19) . ? Si1 C4A 1.94(2) . ? Si2 N2 1.744(7) . ? Si2 C12 1.903(8) . ? Si2 C15 1.925(8) . ? Si2 C18 1.881(7) . ? Si3 N3 1.746(6) . ? Si3 C26 1.886(7) . ? Si3 C29 1.886(7) . ? Si3 C23 1.91(3) . ? Si3 C23A 1.90(2) . ? N1 C10 1.498(8) . ? N2 C21 1.509(8) . ? N3 C32 1.482(7) . ? N4 C11 1.482(8) . ? N4 C22 1.480(9) . ? N4 C33 1.483(8) . ? C1 H1 1.0000 . ? C1 C2 1.539(7) . ? C1 C3 1.536(9) . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C3 H3C 0.9800 . ? C7 H7 1.0000 . ? C7 C8 1.530(9) . ? C7 C9 1.509(9) . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 H10A 0.9900 . ? C10 H10B 0.9900 . ? C10 C11 1.504(9) . ? C11 H11A 0.9900 . ? C11 H11B 0.9900 . ? C12 H12 1.0000 . ? C12 C13 1.543(8) . ? C12 C14 1.536(8) . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 H15 1.0000 . ? C15 C16 1.523(8) . ? C15 C17 1.539(9) . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18 1.0000 . ? C18 C19 1.539(8) . ? C18 C20 1.542(8) . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21A 0.9900 . ? C21 H21B 0.9900 . ? C21 C22 1.499(10) . ? C22 H22A 0.9900 . ? C22 H22B 0.9900 . ? C26 H26 1.0000 . ? C26 C27 1.504(9) . ? C26 C28 1.526(8) . ? C27 H27A 0.9800 . ? C27 H27B 0.9800 . ? C27 H27C 0.9800 . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 H29 1.0000 . ? C29 C30 1.540(9) . ? C29 C31 1.587(9) . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C32 C33 1.513(8) . ? C33 H33A 0.9900 . ? C33 H33B 0.9900 . ? C4 H4 1.0000 . ? C4 C5 1.522(11) . ? C4 C6 1.505(12) . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C23 H23 1.0000 . ? C23 C24 1.526(13) . ? C23 C25 1.535(13) . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? C4A H4A 1.0000 . ? C4A C5A 1.503(12) . ? C4A C6A 1.513(13) . ? C5A H5AA 0.9800 . ? C5A H5AB 0.9800 . ? C5A H5AC 0.9800 . ? C6A H6AA 0.9800 . ? C6A H6AB 0.9800 . ? C6A H6AC 0.9800 . ? C23A H23A 1.0000 . ? C23A C24A 1.542(11) . ? C23A C25A 1.533(12) . ? C24A H24D 0.9800 . ? C24A H24E 0.9800 . ? C24A H24F 0.9800 . ? C25A H25D 0.9800 . ? C25A H25E 0.9800 . ? C25A H25F 0.9800 . ? Th2 P2 3.003(2) . ? Th2 N5 2.292(5) . ? Th2 N6 2.301(7) . ? Th2 N7 2.308(6) . ? Th2 N8 2.691(5) . ? P2 H2D 1.428(19) . ? P2 H2E 1.405(18) . ? Si4 N5 1.744(7) . ? Si4 C34 1.900(8) . ? Si4 C37 1.941(8) . ? Si4 C40 1.857(8) . ? Si5 N6 1.740(6) . ? Si5 C45 1.897(9) . ? Si5 C48 1.883(8) . ? Si5 C51 1.914(7) . ? Si6 N7 1.732(6) . ? Si6 C56 1.844(8) . ? Si6 C59 1.966(11) . ? Si6 C62 1.860(8) . ? N5 C43 1.481(9) . ? N6 C54 1.467(9) . ? N7 C65 1.497(8) . ? N8 C44 1.491(8) . ? N8 C55 1.478(10) . ? N8 C66 1.493(8) . ? C34 H34 1.0000 . ? C34 C35 1.515(8) . ? C34 C36 1.570(8) . ? C35 H35A 0.9800 . ? C35 H35B 0.9800 . ? C35 H35C 0.9800 . ? C36 H36A 0.9800 . ? C36 H36B 0.9800 . ? C36 H36C 0.9800 . ? C37 H37 1.0000 . ? C37 C38 1.530(9) . ? C37 C39 1.517(9) . ? C38 H38A 0.9800 . ? C38 H38B 0.9800 . ? C38 H38C 0.9800 . ? C39 H39A 0.9800 . ? C39 H39B 0.9800 . ? C39 H39C 0.9800 . ? C40 H40 1.0000 . ? C40 C41 1.538(10) . ? C40 C42 1.562(8) . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? C43 H43A 0.9900 . ? C43 H43B 0.9900 . ? C43 C44 1.516(9) . ? C44 H44A 0.9900 . ? C44 H44B 0.9900 . ? C45 H45 1.0000 . ? C45 C46 1.530(8) . ? C45 C47 1.532(9) . ? C46 H46A 0.9800 . ? C46 H46B 0.9800 . ? C46 H46C 0.9800 . ? C47 H47A 0.9800 . ? C47 H47B 0.9800 . ? C47 H47C 0.9800 . ? C48 H48 1.0000 . ? C48 C49 1.540(8) . ? C48 C50 1.531(8) . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C50 H50A 0.9800 . ? C50 H50B 0.9800 . ? C50 H50C 0.9800 . ? C51 H51 1.0000 . ? C51 C52 1.531(9) . ? C51 C53 1.523(8) . ? C52 H52A 0.9800 . ? C52 H52B 0.9800 . ? C52 H52C 0.9800 . ? C53 H53A 0.9800 . ? C53 H53B 0.9800 . ? C53 H53C 0.9800 . ? C54 H54A 0.9900 . ? C54 H54B 0.9900 . ? C54 C55 1.519(9) . ? C55 H55A 0.9900 . ? C55 H55B 0.9900 . ? C56 H56 1.0000 . ? C56 C57 1.610(11) . ? C56 C58 1.517(8) . ? C57 H57A 0.9800 . ? C57 H57B 0.9800 . ? C57 H57C 0.9800 . ? C58 H58A 0.9800 . ? C58 H58B 0.9800 . ? C58 H58C 0.9800 . ? C59 H59 1.0000 . ? C59 C60 1.503(9) . ? C59 C61 1.544(9) . ? C60 H60A 0.9800 . ? C60 H60B 0.9800 . ? C60 H60C 0.9800 . ? C61 H61A 0.9800 . ? C61 H61B 0.9800 . ? C61 H61C 0.9800 . ? C62 H62 1.0000 . ? C62 C63 1.525(8) . ? C62 C64 1.597(10) . ? C63 H63A 0.9800 . ? C63 H63B 0.9800 . ? C63 H63C 0.9800 . ? C64 H64A 0.9800 . ? C64 H64B 0.9800 . ? C64 H64C 0.9800 . ? C65 H65A 0.9900 . ? C65 H65B 0.9900 . ? C65 C66 1.500(11) . ? C66 H66A 0.9900 . ? C66 H66B 0.9900 . ? 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 Th1 P1 111.51(13) . . ? N1 Th1 N3 107.1(2) . . ? N1 Th1 N4 70.09(17) . . ? N2 Th1 P1 104.77(16) . . ? N2 Th1 N1 111.3(2) . . ? N2 Th1 N3 107.6(2) . . ? N2 Th1 N4 69.6(2) . . ? N3 Th1 P1 114.50(13) . . ? N3 Th1 N4 69.63(16) . . ? N4 Th1 P1 174.10(15) . . ? Th1 P1 H1A 113.0(9) . . ? Th1 P1 H1B 112.4(8) . . ? H1A P1 H1B 102.1(15) . . ? N1 Si1 C1 107.7(3) . . ? N1 Si1 C7 110.4(3) . . ? N1 Si1 C4 113.0(5) . . ? N1 Si1 C4A 108.0(7) . . ? C1 Si1 C7 107.0(4) . . ? C1 Si1 C4 119.6(8) . . ? C1 Si1 C4A 105.2(8) . . ? C7 Si1 C4A 118.0(9) . . ? C4 Si1 C7 98.5(8) . . ? N2 Si2 C12 112.3(4) . . ? N2 Si2 C15 110.2(3) . . ? N2 Si2 C18 107.5(3) . . ? C12 Si2 C15 107.8(4) . . ? C18 Si2 C12 106.3(3) . . ? C18 Si2 C15 112.8(3) . . ? N3 Si3 C26 112.5(3) . . ? N3 Si3 C29 105.8(3) . . ? N3 Si3 C23 111.6(11) . . ? N3 Si3 C23A 115.1(7) . . ? C26 Si3 C23 97.4(9) . . ? C26 Si3 C23A 107.6(6) . . ? C29 Si3 C26 112.5(3) . . ? C29 Si3 C23 117.1(10) . . ? C29 Si3 C23A 103.0(8) . . ? Si1 N1 Th1 131.1(3) . . ? C10 N1 Th1 112.5(4) . . ? C10 N1 Si1 116.2(5) . . ? Si2 N2 Th1 131.6(3) . . ? C21 N2 Th1 112.6(5) . . ? C21 N2 Si2 115.8(5) . . ? Si3 N3 Th1 132.3(3) . . ? C32 N3 Th1 112.5(4) . . ? C32 N3 Si3 115.1(4) . . ? C11 N4 Th1 106.9(4) . . ? C11 N4 C33 111.2(6) . . ? C22 N4 Th1 107.5(4) . . ? C22 N4 C11 111.5(5) . . ? C22 N4 C33 112.1(5) . . ? C33 N4 Th1 107.3(3) . . ? Si1 C1 H1 105.3 . . ? C2 C1 Si1 114.1(6) . . ? C2 C1 H1 105.3 . . ? C3 C1 Si1 117.5(6) . . ? C3 C1 H1 105.3 . . ? C3 C1 C2 108.2(6) . . ? C1 C2 H2A 109.5 . . ? C1 C2 H2B 109.5 . . ? C1 C2 H2C 109.5 . . ? H2A C2 H2B 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? C1 C3 H3A 109.5 . . ? C1 C3 H3B 109.5 . . ? C1 C3 H3C 109.5 . . ? H3A C3 H3B 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? Si1 C7 H7 107.3 . . ? C8 C7 Si1 111.3(7) . . ? C8 C7 H7 107.3 . . ? C9 C7 Si1 111.9(6) . . ? C9 C7 H7 107.3 . . ? C9 C7 C8 111.4(7) . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8B 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C7 C9 H9A 109.5 . . ? C7 C9 H9B 109.5 . . ? C7 C9 H9C 109.5 . . ? H9A C9 H9B 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? N1 C10 H10A 109.5 . . ? N1 C10 H10B 109.5 . . ? N1 C10 C11 110.7(7) . . ? H10A C10 H10B 108.1 . . ? C11 C10 H10A 109.5 . . ? C11 C10 H10B 109.5 . . ? N4 C11 C10 109.4(5) . . ? N4 C11 H11A 109.8 . . ? N4 C11 H11B 109.8 . . ? C10 C11 H11A 109.8 . . ? C10 C11 H11B 109.8 . . ? H11A C11 H11B 108.2 . . ? Si2 C12 H12 107.1 . . ? C13 C12 Si2 113.9(6) . . ? C13 C12 H12 107.1 . . ? C14 C12 Si2 112.2(6) . . ? C14 C12 H12 107.1 . . ? C14 C12 C13 109.1(6) . . ? C12 C13 H13A 109.5 . . ? C12 C13 H13B 109.5 . . ? C12 C13 H13C 109.5 . . ? H13A C13 H13B 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C12 C14 H14A 109.5 . . ? C12 C14 H14B 109.5 . . ? C12 C14 H14C 109.5 . . ? H14A C14 H14B 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? Si2 C15 H15 107.0 . . ? C16 C15 Si2 113.1(6) . . ? C16 C15 H15 107.0 . . ? C16 C15 C17 110.0(6) . . ? C17 C15 Si2 112.3(6) . . ? C17 C15 H15 107.0 . . ? C15 C16 H16A 109.5 . . ? C15 C16 H16B 109.5 . . ? C15 C16 H16C 109.5 . . ? H16A C16 H16B 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C15 C17 H17A 109.5 . . ? C15 C17 H17B 109.5 . . ? C15 C17 H17C 109.5 . . ? H17A C17 H17B 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? Si2 C18 H18 105.3 . . ? C19 C18 Si2 117.3(5) . . ? C19 C18 H18 105.3 . . ? C19 C18 C20 108.6(5) . . ? C20 C18 Si2 114.0(5) . . ? C20 C18 H18 105.3 . . ? C18 C19 H19A 109.5 . . ? C18 C19 H19B 109.5 . . ? C18 C19 H19C 109.5 . . ? H19A C19 H19B 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C18 C20 H20A 109.5 . . ? C18 C20 H20B 109.5 . . ? C18 C20 H20C 109.5 . . ? H20A C20 H20B 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? N2 C21 H21A 109.7 . . ? N2 C21 H21B 109.7 . . ? H21A C21 H21B 108.2 . . ? C22 C21 N2 109.9(6) . . ? C22 C21 H21A 109.7 . . ? C22 C21 H21B 109.7 . . ? N4 C22 C21 109.4(6) . . ? N4 C22 H22A 109.8 . . ? N4 C22 H22B 109.8 . . ? C21 C22 H22A 109.8 . . ? C21 C22 H22B 109.8 . . ? H22A C22 H22B 108.2 . . ? Si3 C26 H26 103.9 . . ? C27 C26 Si3 116.8(6) . . ? C27 C26 H26 103.9 . . ? C27 C26 C28 111.2(6) . . ? C28 C26 Si3 115.3(6) . . ? C28 C26 H26 103.9 . . ? C26 C27 H27A 109.5 . . ? C26 C27 H27B 109.5 . . ? C26 C27 H27C 109.5 . . ? H27A C27 H27B 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C26 C28 H28A 109.5 . . ? C26 C28 H28B 109.5 . . ? C26 C28 H28C 109.5 . . ? H28A C28 H28B 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? Si3 C29 H29 108.3 . . ? C30 C29 Si3 115.4(6) . . ? C30 C29 H29 108.3 . . ? C30 C29 C31 106.7(5) . . ? C31 C29 Si3 109.5(6) . . ? C31 C29 H29 108.3 . . ? C29 C30 H30A 109.5 . . ? C29 C30 H30B 109.5 . . ? C29 C30 H30C 109.5 . . ? H30A C30 H30B 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C29 C31 H31A 109.5 . . ? C29 C31 H31B 109.5 . . ? C29 C31 H31C 109.5 . . ? H31A C31 H31B 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? N3 C32 H32A 109.6 . . ? N3 C32 H32B 109.6 . . ? N3 C32 C33 110.4(5) . . ? H32A C32 H32B 108.1 . . ? C33 C32 H32A 109.6 . . ? C33 C32 H32B 109.6 . . ? N4 C33 C32 109.0(6) . . ? N4 C33 H33A 109.9 . . ? N4 C33 H33B 109.9 . . ? C32 C33 H33A 109.9 . . ? C32 C33 H33B 109.9 . . ? H33A C33 H33B 108.3 . . ? Si1 C4 H4 107.3 . . ? C5 C4 Si1 113.6(13) . . ? C5 C4 H4 107.3 . . ? C6 C4 Si1 109.0(13) . . ? C6 C4 H4 107.3 . . ? C6 C4 C5 112.0(9) . . ? C4 C5 H5A 109.5 . . ? C4 C5 H5B 109.5 . . ? C4 C5 H5C 109.5 . . ? H5A C5 H5B 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? C4 C6 H6A 109.5 . . ? C4 C6 H6B 109.5 . . ? C4 C6 H6C 109.5 . . ? H6A C6 H6B 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? Si3 C23 H23 103.7 . . ? C24 C23 Si3 115.3(17) . . ? C24 C23 H23 103.7 . . ? C24 C23 C25 109.5(10) . . ? C25 C23 Si3 118.8(16) . . ? C25 C23 H23 103.7 . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? C23 C24 H24C 109.5 . . ? H24A C24 H24B 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C23 C25 H25A 109.5 . . ? C23 C25 H25B 109.5 . . ? C23 C25 H25C 109.5 . . ? H25A C25 H25B 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? Si1 C4A H4A 101.4 . . ? C5A C4A Si1 117.6(14) . . ? C5A C4A H4A 101.4 . . ? C5A C4A C6A 112.6(10) . . ? C6A C4A Si1 118.3(14) . . ? C6A C4A H4A 101.4 . . ? C4A C5A H5AA 109.5 . . ? C4A C5A H5AB 109.5 . . ? C4A C5A H5AC 109.5 . . ? H5AA C5A H5AB 109.5 . . ? H5AA C5A H5AC 109.5 . . ? H5AB C5A H5AC 109.5 . . ? C4A C6A H6AA 109.5 . . ? C4A C6A H6AB 109.5 . . ? C4A C6A H6AC 109.5 . . ? H6AA C6A H6AB 109.5 . . ? H6AA C6A H6AC 109.5 . . ? H6AB C6A H6AC 109.5 . . ? Si3 C23A H23A 107.3 . . ? C24A C23A Si3 111.8(13) . . ? C24A C23A H23A 107.3 . . ? C25A C23A Si3 113.7(13) . . ? C25A C23A H23A 107.3 . . ? C25A C23A C24A 109.2(9) . . ? C23A C24A H24D 109.5 . . ? C23A C24A H24E 109.5 . . ? C23A C24A H24F 109.5 . . ? H24D C24A H24E 109.5 . . ? H24D C24A H24F 109.5 . . ? H24E C24A H24F 109.5 . . ? C23A C25A H25D 109.5 . . ? C23A C25A H25E 109.5 . . ? C23A C25A H25F 109.5 . . ? H25D C25A H25E 109.5 . . ? H25D C25A H25F 109.5 . . ? H25E C25A H25F 109.5 . . ? N5 Th2 P2 114.73(15) . . ? N5 Th2 N6 108.1(2) . . ? N5 Th2 N7 106.1(2) . . ? N5 Th2 N8 69.09(18) . . ? N6 Th2 P2 104.68(15) . . ? N6 Th2 N7 111.3(2) . . ? N6 Th2 N8 69.85(19) . . ? N7 Th2 P2 111.99(15) . . ? N7 Th2 N8 69.77(19) . . ? N8 Th2 P2 174.37(16) . . ? Th2 P2 H2D 112.3(9) . . ? Th2 P2 H2E 113.2(9) . . ? H2D P2 H2E 105.2(17) . . ? N5 Si4 C34 115.3(3) . . ? N5 Si4 C37 111.0(4) . . ? N5 Si4 C40 105.9(4) . . ? C34 Si4 C37 101.3(4) . . ? C40 Si4 C34 109.5(4) . . ? C40 Si4 C37 114.0(4) . . ? N6 Si5 C45 110.6(3) . . ? N6 Si5 C48 107.6(4) . . ? N6 Si5 C51 111.6(3) . . ? C45 Si5 C51 106.7(4) . . ? C48 Si5 C45 113.6(3) . . ? C48 Si5 C51 106.8(3) . . ? N7 Si6 C56 113.4(4) . . ? N7 Si6 C59 111.7(4) . . ? N7 Si6 C62 105.5(3) . . ? C56 Si6 C59 102.0(5) . . ? C56 Si6 C62 119.5(4) . . ? C62 Si6 C59 104.4(4) . . ? Si4 N5 Th2 128.8(3) . . ? C43 N5 Th2 114.9(5) . . ? C43 N5 Si4 116.2(4) . . ? Si5 N6 Th2 131.9(3) . . ? C54 N6 Th2 112.3(5) . . ? C54 N6 Si5 115.8(6) . . ? Si6 N7 Th2 127.9(3) . . ? C65 N7 Th2 115.0(4) . . ? C65 N7 Si6 116.8(5) . . ? C44 N8 Th2 108.1(4) . . ? C44 N8 C66 110.9(5) . . ? C55 N8 Th2 107.1(4) . . ? C55 N8 C44 111.4(6) . . ? C55 N8 C66 111.1(6) . . ? C66 N8 Th2 108.1(4) . . ? Si4 C34 H34 106.0 . . ? C35 C34 Si4 118.9(7) . . ? C35 C34 H34 106.0 . . ? C35 C34 C36 107.7(6) . . ? C36 C34 Si4 111.4(6) . . ? C36 C34 H34 106.0 . . ? C34 C35 H35A 109.5 . . ? C34 C35 H35B 109.5 . . ? C34 C35 H35C 109.5 . . ? H35A C35 H35B 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C34 C36 H36A 109.5 . . ? C34 C36 H36B 109.5 . . ? C34 C36 H36C 109.5 . . ? H36A C36 H36B 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? Si4 C37 H37 106.2 . . ? C38 C37 Si4 111.5(6) . . ? C38 C37 H37 106.2 . . ? C39 C37 Si4 115.0(6) . . ? C39 C37 H37 106.2 . . ? C39 C37 C38 111.1(6) . . ? C37 C38 H38A 109.5 . . ? C37 C38 H38B 109.5 . . ? C37 C38 H38C 109.5 . . ? H38A C38 H38B 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C37 C39 H39A 109.5 . . ? C37 C39 H39B 109.5 . . ? C37 C39 H39C 109.5 . . ? H39A C39 H39B 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? Si4 C40 H40 105.9 . . ? C41 C40 Si4 117.2(6) . . ? C41 C40 H40 105.9 . . ? C41 C40 C42 107.5(6) . . ? C42 C40 Si4 113.6(6) . . ? C42 C40 H40 105.9 . . ? C40 C41 H41A 109.5 . . ? C40 C41 H41B 109.5 . . ? C40 C41 H41C 109.5 . . ? H41A C41 H41B 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C40 C42 H42A 109.5 . . ? C40 C42 H42B 109.5 . . ? C40 C42 H42C 109.5 . . ? H42A C42 H42B 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? N5 C43 H43A 109.8 . . ? N5 C43 H43B 109.8 . . ? N5 C43 C44 109.6(6) . . ? H43A C43 H43B 108.2 . . ? C44 C43 H43A 109.8 . . ? C44 C43 H43B 109.8 . . ? N8 C44 C43 109.0(5) . . ? N8 C44 H44A 109.9 . . ? N8 C44 H44B 109.9 . . ? C43 C44 H44A 109.9 . . ? C43 C44 H44B 109.9 . . ? H44A C44 H44B 108.3 . . ? Si5 C45 H45 105.8 . . ? C46 C45 Si5 114.5(6) . . ? C46 C45 H45 105.8 . . ? C46 C45 C47 109.7(6) . . ? C47 C45 Si5 114.5(5) . . ? C47 C45 H45 105.8 . . ? C45 C46 H46A 109.5 . . ? C45 C46 H46B 109.5 . . ? C45 C46 H46C 109.5 . . ? H46A C46 H46B 109.5 . . ? H46A C46 H46C 109.5 . . ? H46B C46 H46C 109.5 . . ? C45 C47 H47A 109.5 . . ? C45 C47 H47B 109.5 . . ? C45 C47 H47C 109.5 . . ? H47A C47 H47B 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? Si5 C48 H48 105.3 . . ? C49 C48 Si5 116.4(5) . . ? C49 C48 H48 105.3 . . ? C50 C48 Si5 113.5(6) . . ? C50 C48 H48 105.3 . . ? C50 C48 C49 109.8(5) . . ? C48 C49 H49A 109.5 . . ? C48 C49 H49B 109.5 . . ? C48 C49 H49C 109.5 . . ? H49A C49 H49B 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? C48 C50 H50A 109.5 . . ? C48 C50 H50B 109.5 . . ? C48 C50 H50C 109.5 . . ? H50A C50 H50B 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? Si5 C51 H51 107.2 . . ? C52 C51 Si5 111.3(6) . . ? C52 C51 H51 107.2 . . ? C53 C51 Si5 113.0(5) . . ? C53 C51 H51 107.2 . . ? C53 C51 C52 110.7(6) . . ? C51 C52 H52A 109.5 . . ? C51 C52 H52B 109.5 . . ? C51 C52 H52C 109.5 . . ? H52A C52 H52B 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? C51 C53 H53A 109.5 . . ? C51 C53 H53B 109.5 . . ? C51 C53 H53C 109.5 . . ? H53A C53 H53B 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? N6 C54 H54A 109.6 . . ? N6 C54 H54B 109.6 . . ? N6 C54 C55 110.2(6) . . ? H54A C54 H54B 108.1 . . ? C55 C54 H54A 109.6 . . ? C55 C54 H54B 109.6 . . ? N8 C55 C54 109.0(6) . . ? N8 C55 H55A 109.9 . . ? N8 C55 H55B 109.9 . . ? C54 C55 H55A 109.9 . . ? C54 C55 H55B 109.9 . . ? H55A C55 H55B 108.3 . . ? Si6 C56 H56 109.0 . . ? C57 C56 Si6 106.6(7) . . ? C57 C56 H56 109.0 . . ? C58 C56 Si6 116.0(6) . . ? C58 C56 H56 109.0 . . ? C58 C56 C57 107.0(7) . . ? C56 C57 H57A 109.5 . . ? C56 C57 H57B 109.5 . . ? C56 C57 H57C 109.5 . . ? H57A C57 H57B 109.5 . . ? H57A C57 H57C 109.5 . . ? H57B C57 H57C 109.5 . . ? C56 C58 H58A 109.5 . . ? C56 C58 H58B 109.5 . . ? C56 C58 H58C 109.5 . . ? H58A C58 H58B 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? Si6 C59 H59 107.6 . . ? C60 C59 Si6 111.8(7) . . ? C60 C59 H59 107.6 . . ? C60 C59 C61 111.6(7) . . ? C61 C59 Si6 110.5(7) . . ? C61 C59 H59 107.6 . . ? C59 C60 H60A 109.5 . . ? C59 C60 H60B 109.5 . . ? C59 C60 H60C 109.5 . . ? H60A C60 H60B 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C59 C61 H61A 109.5 . . ? C59 C61 H61B 109.5 . . ? C59 C61 H61C 109.5 . . ? H61A C61 H61B 109.5 . . ? H61A C61 H61C 109.5 . . ? H61B C61 H61C 109.5 . . ? Si6 C62 H62 107.4 . . ? C63 C62 Si6 119.3(6) . . ? C63 C62 H62 107.4 . . ? C63 C62 C64 105.9(6) . . ? C64 C62 Si6 109.0(7) . . ? C64 C62 H62 107.4 . . ? C62 C63 H63A 109.5 . . ? C62 C63 H63B 109.5 . . ? C62 C63 H63C 109.5 . . ? H63A C63 H63B 109.5 . . ? H63A C63 H63C 109.5 . . ? H63B C63 H63C 109.5 . . ? C62 C64 H64A 109.5 . . ? C62 C64 H64B 109.5 . . ? C62 C64 H64C 109.5 . . ? H64A C64 H64B 109.5 . . ? H64A C64 H64C 109.5 . . ? H64B C64 H64C 109.5 . . ? N7 C65 H65A 109.3 . . ? N7 C65 H65B 109.3 . . ? N7 C65 C66 111.5(7) . . ? H65A C65 H65B 108.0 . . ? C66 C65 H65A 109.3 . . ? C66 C65 H65B 109.3 . . ? N8 C66 C65 109.5(6) . . ? N8 C66 H66A 109.8 . . ? N8 C66 H66B 109.8 . . ? C65 C66 H66A 109.8 . . ? C65 C66 H66B 109.8 . . ? H66A C66 H66B 108.2 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Th1 N1 C10 C11 58.4(6) . . . . ? Th1 N2 C21 C22 60.9(7) . . . . ? Th1 N3 C32 C33 60.1(7) . . . . ? Th1 N4 C11 C10 32.6(6) . . . . ? Th1 N4 C22 C21 29.6(6) . . . . ? Th1 N4 C33 C32 31.1(7) . . . . ? Si1 N1 C10 C11 -124.5(5) . . . . ? Si2 N2 C21 C22 -116.8(6) . . . . ? Si3 N3 C32 C33 -117.8(6) . . . . ? N1 Si1 C1 C2 178.6(5) . . . . ? N1 Si1 C1 C3 -53.3(7) . . . . ? N1 C10 C11 N4 -60.6(7) . . . . ? N2 Si2 C18 C19 -57.2(6) . . . . ? N2 Si2 C18 C20 174.2(5) . . . . ? N2 C21 C22 N4 -59.0(8) . . . . ? N3 Si3 C26 C27 -40.2(8) . . . . ? N3 Si3 C26 C28 -173.5(5) . . . . ? N3 Si3 C29 C30 -161.5(6) . . . . ? N3 Si3 C29 C31 78.1(6) . . . . ? N3 C32 C33 N4 -60.4(8) . . . . ? C1 Si1 N1 Th1 -23.0(5) . . . . ? C1 Si1 N1 C10 160.7(5) . . . . ? C7 Si1 N1 Th1 93.5(5) . . . . ? C7 Si1 N1 C10 -82.9(6) . . . . ? C7 Si1 C1 C2 59.9(6) . . . . ? C7 Si1 C1 C3 -172.0(6) . . . . ? C11 N4 C22 C21 -87.3(6) . . . . ? C11 N4 C33 C32 147.7(6) . . . . ? C12 Si2 N2 Th1 110.4(4) . . . . ? C12 Si2 N2 C21 -72.5(5) . . . . ? C12 Si2 C18 C19 -177.7(6) . . . . ? C12 Si2 C18 C20 53.8(6) . . . . ? C15 Si2 N2 Th1 -129.4(4) . . . . ? C15 Si2 N2 C21 47.7(5) . . . . ? C15 Si2 C18 C19 64.4(7) . . . . ? C15 Si2 C18 C20 -64.1(6) . . . . ? C18 Si2 N2 Th1 -6.2(5) . . . . ? C18 Si2 N2 C21 171.0(4) . . . . ? C22 N4 C11 C10 149.9(6) . . . . ? C22 N4 C33 C32 -86.7(7) . . . . ? C26 Si3 N3 Th1 132.6(4) . . . . ? C26 Si3 N3 C32 -49.9(6) . . . . ? C26 Si3 C29 C30 75.3(7) . . . . ? C26 Si3 C29 C31 -45.1(7) . . . . ? C29 Si3 N3 Th1 9.4(5) . . . . ? C29 Si3 N3 C32 -173.2(5) . . . . ? C29 Si3 C26 C27 79.2(8) . . . . ? C29 Si3 C26 C28 -54.1(7) . . . . ? C33 N4 C11 C10 -84.2(7) . . . . ? C33 N4 C22 C21 147.4(5) . . . . ? C4 Si1 N1 Th1 -157.3(10) . . . . ? C4 Si1 N1 C10 26.4(11) . . . . ? C4 Si1 C1 C2 -50.7(9) . . . . ? C4 Si1 C1 C3 77.4(9) . . . . ? C23 Si3 N3 Th1 -119.1(9) . . . . ? C23 Si3 N3 C32 58.4(10) . . . . ? C23 Si3 C26 C27 -157.3(12) . . . . ? C23 Si3 C26 C28 69.4(12) . . . . ? C23 Si3 C29 C30 -36.4(12) . . . . ? C23 Si3 C29 C31 -156.8(11) . . . . ? C4A Si1 N1 Th1 -136.1(9) . . . . ? C4A Si1 N1 C10 47.5(10) . . . . ? C4A Si1 C1 C2 -66.4(10) . . . . ? C4A Si1 C1 C3 61.7(10) . . . . ? C23A Si3 N3 Th1 -103.7(8) . . . . ? C23A Si3 N3 C32 73.8(9) . . . . ? C23A Si3 C26 C27 -168.0(11) . . . . ? C23A Si3 C26 C28 58.7(10) . . . . ? C23A Si3 C29 C30 -40.3(9) . . . . ? C23A Si3 C29 C31 -160.7(8) . . . . ? Th2 N5 C43 C44 58.3(7) . . . . ? Th2 N6 C54 C55 60.2(7) . . . . ? Th2 N7 C65 C66 53.3(8) . . . . ? Th2 N8 C44 C43 31.3(7) . . . . ? Th2 N8 C55 C54 31.4(6) . . . . ? Th2 N8 C66 C65 33.0(7) . . . . ? Si4 N5 C43 C44 -117.9(6) . . . . ? Si5 N6 C54 C55 -119.1(6) . . . . ? Si6 N7 C65 C66 -133.7(6) . . . . ? N5 Si4 C40 C41 -142.1(7) . . . . ? N5 Si4 C40 C42 91.5(7) . . . . ? N5 C43 C44 N8 -58.0(9) . . . . ? N6 Si5 C45 C46 70.0(6) . . . . ? N6 Si5 C45 C47 -162.0(5) . . . . ? N6 Si5 C48 C49 -57.3(7) . . . . ? N6 Si5 C48 C50 173.7(5) . . . . ? N6 C54 C55 N8 -61.0(8) . . . . ? N7 Si6 C56 C57 59.6(8) . . . . ? N7 Si6 C56 C58 178.6(7) . . . . ? N7 Si6 C62 C63 173.1(7) . . . . ? N7 Si6 C62 C64 -65.3(6) . . . . ? N7 C65 C66 N8 -56.9(8) . . . . ? C34 Si4 N5 Th2 -113.5(4) . . . . ? C34 Si4 N5 C43 62.1(6) . . . . ? C34 Si4 C40 C41 -17.1(8) . . . . ? C34 Si4 C40 C42 -143.5(6) . . . . ? C37 Si4 N5 Th2 132.0(4) . . . . ? C37 Si4 N5 C43 -52.4(6) . . . . ? C37 Si4 C40 C41 95.6(8) . . . . ? C37 Si4 C40 C42 -30.8(8) . . . . ? C40 Si4 N5 Th2 7.8(5) . . . . ? C40 Si4 N5 C43 -176.6(5) . . . . ? C44 N8 C55 C54 149.4(5) . . . . ? C44 N8 C66 C65 -85.3(7) . . . . ? C45 Si5 N6 Th2 -133.8(4) . . . . ? C45 Si5 N6 C54 45.4(5) . . . . ? C45 Si5 C48 C49 65.4(7) . . . . ? C45 Si5 C48 C50 -63.6(6) . . . . ? C48 Si5 N6 Th2 -9.2(5) . . . . ? C48 Si5 N6 C54 170.0(5) . . . . ? C48 Si5 C45 C46 -51.1(6) . . . . ? C48 Si5 C45 C47 76.9(6) . . . . ? C51 Si5 N6 Th2 107.7(4) . . . . ? C51 Si5 N6 C54 -73.2(5) . . . . ? C51 Si5 C45 C46 -168.4(5) . . . . ? C51 Si5 C45 C47 -40.5(6) . . . . ? C51 Si5 C48 C49 -177.4(6) . . . . ? C51 Si5 C48 C50 53.7(6) . . . . ? C55 N8 C44 C43 -86.1(7) . . . . ? C55 N8 C66 C65 150.2(6) . . . . ? C56 Si6 N7 Th2 -151.2(5) . . . . ? C56 Si6 N7 C65 36.8(8) . . . . ? C56 Si6 C62 C63 -57.9(9) . . . . ? C56 Si6 C62 C64 63.8(7) . . . . ? C59 Si6 N7 Th2 94.2(5) . . . . ? C59 Si6 N7 C65 -77.8(7) . . . . ? C59 Si6 C56 C57 179.8(7) . . . . ? C59 Si6 C56 C58 -61.2(8) . . . . ? C59 Si6 C62 C63 55.2(8) . . . . ? C59 Si6 C62 C64 176.8(6) . . . . ? C62 Si6 N7 Th2 -18.6(7) . . . . ? C62 Si6 N7 C65 169.4(7) . . . . ? C62 Si6 C56 C57 -65.8(8) . . . . ? C62 Si6 C56 C58 53.2(9) . . . . ? C66 N8 C44 C43 149.6(7) . . . . ? C66 N8 C55 C54 -86.4(6) . . . . ? _shelx_res_file ; thew9.res created by SHELXL-2014/7 TITL thew9_a.res in P2(1)/n REM Old TITL THEW9 in P21/n #14 REM SHELXT solution in P2(1)/n REM R1 0.130, Rweak 0.014, Alpha 0.121, Orientation as input REM Formula found by SHELXT: C57 N23 Si4 P4 Th2 rem EXTI 0.00000(3) rem SIMU CELL 0.71073 18.618923 22.604601 22.281827 90 113.7258 90 ZERR 8 0.000502 0.000711 0.000532 0 0.003 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H N P Si Th UNIT 264 616 32 8 24 8 DFIX 2.245 H1a H1b H2e H2d DFIX 3.79 0.01 H1a Th1 Th1 H1b H2e Th2 Th2 H2d DFIX 1.43 P1 H1b P1 H1a P2 H2e P2 H2d SADI C24A C23A C24 C23 C25A C23A C25 C23 C27 C26 C28 C26 C19 C18 C20 C18 C17 = C15 C16 C15 C14 C12 C13 C12 C3 C1 C2 C1 C5A C4A C5 C4 C6A C4A C6 C4 C8 C7 C9 = C7 C30 C29 C31 C29 C57 C56 C58 C56 C60 C59 C61 C59 C41 C40 C42 C40 C63 C62 = C64 C62 C53 C51 C52 C51 C50 C48 C49 C48 C47 C45 C46 C45 C36 C34 C35 C34 C38 = C37 C39 C37 SADI 0.01 C17 C16 C13 C14 C3 C2 C9 C8 C6A C5A C5 C6 C53 C52 C36 C35 C39 C38 = C41 C42 C49 C50 C46 C47 C61 C60 C58 C57 C63 C64 C28 C27 C30 C31 C24A C25A = C24 C25 C19 C20 RIGU L.S. 16 PLAN 20 TEMP -123(2) FREE Th2 H2e FREE C6 C5 BUMP BOND $H LIST 6 MORE -1 CONF fmap 2 acta 52 REM REM REM WGHT 0.033700 FVAR 0.17823 0.53521 0.57266 TH1 6 0.115068 0.662485 0.264085 11.00000 0.02769 0.02813 = 0.02231 0.00231 0.01137 0.00197 P1 4 0.215144 0.692618 0.192308 11.00000 0.06599 0.06213 = 0.06107 0.00195 0.04747 -0.00327 H1A 2 0.233103 0.642212 0.161565 11.00000 -1.20000 H1B 2 0.175562 0.731283 0.136990 11.00000 -1.20000 SI1 5 -0.025187 0.581711 0.120867 11.00000 0.04256 0.05048 = 0.02494 -0.00816 0.00844 -0.00533 SI2 5 0.109563 0.821466 0.296611 11.00000 0.03836 0.02245 = 0.04231 0.00344 0.01712 0.00293 SI3 5 0.259848 0.569414 0.393908 11.00000 0.02794 0.02707 = 0.03400 0.00198 0.00334 -0.00100 N1 3 0.014817 0.599374 0.204199 11.00000 0.03334 0.03092 = 0.02572 -0.00241 0.01007 0.00133 N2 3 0.067791 0.751030 0.281067 11.00000 0.02930 0.02865 = 0.03903 -0.00045 0.01509 -0.00047 N3 3 0.181558 0.619165 0.365095 11.00000 0.02830 0.03106 = 0.02599 0.00115 0.00975 -0.00093 N4 3 0.017927 0.646442 0.325926 11.00000 0.02200 0.03105 = 0.02436 -0.00110 0.01038 -0.00238 C1 1 -0.002883 0.644356 0.075992 11.00000 0.05867 0.04472 = 0.03090 -0.00320 0.01279 0.00079 AFIX 13 H1 2 0.055613 0.645334 0.092375 11.00000 -1.20000 AFIX 0 C2 1 -0.032736 0.634782 0.001511 11.00000 0.10784 0.07882 = 0.03261 -0.00855 0.02549 -0.01896 AFIX 137 H2A 2 -0.002219 0.603268 -0.007393 11.00000 -1.50000 H2B 2 -0.026779 0.671499 -0.019425 11.00000 -1.50000 H2C 2 -0.088226 0.623482 -0.016084 11.00000 -1.50000 AFIX 0 C3 1 -0.026716 0.706861 0.087897 11.00000 0.14646 0.06167 = 0.05403 0.00425 0.03898 0.02936 AFIX 137 H3A 2 -0.084014 0.710365 0.067924 11.00000 -1.50000 H3B 2 -0.003771 0.736027 0.068210 11.00000 -1.50000 H3C 2 -0.007572 0.714080 0.135154 11.00000 -1.50000 AFIX 0 C7 1 0.024341 0.512828 0.105302 11.00000 0.09224 0.04338 = 0.04984 -0.00492 0.04123 0.00097 AFIX 13 H7 2 -0.001516 0.503922 0.057350 11.00000 -1.20000 AFIX 0 C8 1 0.111257 0.524025 0.121788 11.00000 0.11204 0.04742 = 0.16858 0.00060 0.09256 0.00963 AFIX 137 H8A 2 0.116438 0.556178 0.094294 11.00000 -1.50000 H8B 2 0.135136 0.487989 0.113560 11.00000 -1.50000 H8C 2 0.137887 0.535081 0.168073 11.00000 -1.50000 AFIX 0 C9 1 0.013080 0.459515 0.141370 11.00000 0.12088 0.04891 = 0.05124 -0.00743 0.04855 -0.01029 AFIX 137 H9A 2 0.037473 0.466900 0.188687 11.00000 -1.50000 H9B 2 0.037578 0.424894 0.130909 11.00000 -1.50000 H9C 2 -0.043123 0.452133 0.127933 11.00000 -1.50000 AFIX 0 C10 1 -0.017445 0.566297 0.246097 11.00000 0.04129 0.03156 = 0.03174 -0.00015 0.01031 0.00052 AFIX 23 H10A 2 0.024163 0.541108 0.277635 11.00000 -1.20000 H10B 2 -0.060706 0.540228 0.218154 11.00000 -1.20000 AFIX 0 C11 1 -0.047408 0.608509 0.282876 11.00000 0.03025 0.03674 = 0.03201 -0.00208 0.01149 -0.00537 AFIX 23 H11A 2 -0.089546 0.633429 0.251508 11.00000 -1.20000 H11B 2 -0.069533 0.586072 0.309636 11.00000 -1.20000 AFIX 0 C12 1 0.061005 0.873979 0.224797 11.00000 0.04855 0.04113 = 0.06509 0.02324 0.01977 0.00451 AFIX 13 H12 2 0.085918 0.913651 0.238752 11.00000 -1.20000 AFIX 0 C13 1 -0.027888 0.881968 0.205077 11.00000 0.05528 0.09047 = 0.10859 0.05993 0.02391 0.02570 AFIX 137 H13A 2 -0.055145 0.845026 0.186163 11.00000 -1.50000 H13B 2 -0.047434 0.913767 0.172617 11.00000 -1.50000 H13C 2 -0.037556 0.892188 0.243925 11.00000 -1.50000 AFIX 0 C14 1 0.075342 0.855537 0.164203 11.00000 0.07313 0.07465 = 0.05398 0.02888 0.01798 0.01464 AFIX 137 H14A 2 0.131902 0.853942 0.175491 11.00000 -1.50000 H14B 2 0.051001 0.884460 0.129060 11.00000 -1.50000 H14C 2 0.052272 0.816441 0.149386 11.00000 -1.50000 AFIX 0 C15 1 0.099539 0.855435 0.372071 11.00000 0.04976 0.04164 = 0.06620 -0.01355 0.03018 -0.00025 AFIX 13 H15 2 0.044322 0.848431 0.366902 11.00000 -1.20000 AFIX 0 C16 1 0.152960 0.826480 0.436271 11.00000 0.06140 0.05595 = 0.05705 -0.02117 0.03161 -0.01593 AFIX 137 H16A 2 0.145531 0.783501 0.432766 11.00000 -1.50000 H16B 2 0.139980 0.841421 0.471982 11.00000 -1.50000 H16C 2 0.207749 0.835884 0.445379 11.00000 -1.50000 AFIX 0 C17 1 0.112503 0.922820 0.376203 11.00000 0.14095 0.04279 = 0.11321 -0.01860 0.07492 0.00084 AFIX 137 H17A 2 0.166525 0.931473 0.382138 11.00000 -1.50000 H17B 2 0.103287 0.938563 0.413474 11.00000 -1.50000 H17C 2 0.075952 0.941329 0.335630 11.00000 -1.50000 AFIX 0 C18 1 0.214625 0.813943 0.307245 11.00000 0.04017 0.02558 = 0.04105 -0.00071 0.01981 -0.00241 AFIX 13 H18 2 0.212090 0.796753 0.265086 11.00000 -1.20000 AFIX 0 C19 1 0.267263 0.771539 0.360958 11.00000 0.03411 0.03463 = 0.05263 -0.00168 0.01567 -0.00518 AFIX 137 H19A 2 0.281569 0.790009 0.404025 11.00000 -1.50000 H19B 2 0.314913 0.762971 0.353954 11.00000 -1.50000 H19C 2 0.238831 0.734631 0.359105 11.00000 -1.50000 AFIX 0 C20 1 0.257891 0.873435 0.314547 11.00000 0.05403 0.03853 = 0.08481 0.00474 0.02782 -0.01020 AFIX 137 H20A 2 0.225915 0.900356 0.279502 11.00000 -1.50000 H20B 2 0.308371 0.866773 0.311581 11.00000 -1.50000 H20C 2 0.266881 0.890979 0.357197 11.00000 -1.50000 AFIX 0 C21 1 -0.012891 0.745874 0.281267 11.00000 0.03186 0.03956 = 0.04453 0.00496 0.01767 0.00065 AFIX 23 H21A 2 -0.031531 0.785467 0.287547 11.00000 -1.20000 H21B 2 -0.050038 0.730111 0.238597 11.00000 -1.20000 AFIX 0 C22 1 -0.010385 0.705438 0.335391 11.00000 0.02855 0.03080 = 0.03493 -0.00386 0.01436 -0.00399 AFIX 23 H22A 2 0.025157 0.721933 0.378241 11.00000 -1.20000 H22B 2 -0.063461 0.701885 0.335225 11.00000 -1.20000 AFIX 0 C26 1 0.338470 0.592930 0.474945 11.00000 0.03959 0.04577 = 0.04190 -0.00005 0.00305 -0.00177 AFIX 13 H26 2 0.314788 0.584885 0.507224 11.00000 -1.20000 AFIX 0 C27 1 0.357974 0.657776 0.483477 11.00000 0.07861 0.05372 = 0.08808 0.00084 -0.03145 -0.01122 AFIX 137 H27A 2 0.384090 0.669242 0.454841 11.00000 -1.50000 H27B 2 0.392949 0.665614 0.529227 11.00000 -1.50000 H27C 2 0.309595 0.680736 0.471925 11.00000 -1.50000 AFIX 0 C28 1 0.412715 0.555219 0.499367 11.00000 0.03668 0.06150 = 0.06863 0.00998 -0.00863 -0.00071 AFIX 137 H28A 2 0.398364 0.513325 0.491791 11.00000 -1.50000 H28B 2 0.442371 0.562034 0.546377 11.00000 -1.50000 H28C 2 0.445091 0.566077 0.475617 11.00000 -1.50000 AFIX 0 C29 1 0.297351 0.563781 0.327110 11.00000 0.04008 0.05905 = 0.04681 -0.00585 0.01188 0.00727 AFIX 13 H29 2 0.251250 0.563411 0.283855 11.00000 -1.20000 AFIX 0 C30 1 0.348221 0.509108 0.330652 11.00000 0.08273 0.06201 = 0.09633 -0.01685 0.03801 0.01553 AFIX 137 H30A 2 0.393984 0.508899 0.372661 11.00000 -1.50000 H30B 2 0.365769 0.510477 0.294691 11.00000 -1.50000 H30C 2 0.317288 0.473147 0.326857 11.00000 -1.50000 AFIX 0 C31 1 0.349366 0.620082 0.329487 11.00000 0.07367 0.07847 = 0.08571 -0.00016 0.03580 0.00954 AFIX 137 H31A 2 0.317486 0.655930 0.322899 11.00000 -1.50000 H31B 2 0.368881 0.617093 0.294788 11.00000 -1.50000 H31C 2 0.393849 0.621986 0.372241 11.00000 -1.50000 AFIX 0 C32 1 0.148633 0.635800 0.413204 11.00000 0.03174 0.03537 = 0.02159 0.00170 0.00388 -0.00034 AFIX 23 H32A 2 0.152243 0.679192 0.419766 11.00000 -1.20000 H32B 2 0.179489 0.616728 0.455868 11.00000 -1.20000 AFIX 0 C33 1 0.063782 0.616638 0.389170 11.00000 0.03280 0.04523 = 0.02086 0.00487 0.01095 -0.00010 AFIX 23 H33A 2 0.059957 0.573183 0.383187 11.00000 -1.20000 H33B 2 0.042469 0.627373 0.421874 11.00000 -1.20000 AFIX 0 PART 1 C4 1 -0.129335 0.552082 0.091086 21.00000 0.05099 0.06312 = 0.04108 -0.02061 0.00970 -0.00520 AFIX 13 H4 2 -0.129063 0.519359 0.121378 21.00000 -1.20000 AFIX 0 C5 1 -0.159854 0.526417 0.022167 21.00000 0.03489 0.10234 = 0.05024 -0.03733 0.00552 -0.00815 AFIX 137 H5A 2 -0.163647 0.557905 -0.009201 21.00000 -1.50000 H5B 2 -0.211836 0.509063 0.011263 21.00000 -1.50000 H5C 2 -0.123735 0.495754 0.020052 21.00000 -1.50000 AFIX 0 C6 1 -0.182009 0.600064 0.097284 21.00000 0.04883 0.08101 = 0.06157 -0.02960 0.00566 0.00755 AFIX 137 H6A 2 -0.161515 0.614286 0.142651 21.00000 -1.50000 H6B 2 -0.235004 0.584246 0.085243 21.00000 -1.50000 H6C 2 -0.183796 0.632896 0.067992 21.00000 -1.50000 AFIX 0 C23 1 0.231171 0.497507 0.423149 -31.00000 0.04960 0.03263 = 0.06156 0.00738 0.02501 0.00087 AFIX 13 H23 2 0.280113 0.473177 0.437808 -31.00000 -1.20000 AFIX 0 C24 1 0.170818 0.459935 0.369621 -31.00000 0.08056 0.05930 = 0.07578 -0.00021 0.04281 -0.03883 AFIX 137 H24A 2 0.118820 0.478000 0.356173 -31.00000 -1.50000 H24B 2 0.169907 0.420034 0.386500 -31.00000 -1.50000 H24C 2 0.184963 0.457640 0.331811 -31.00000 -1.50000 AFIX 0 C25 1 0.211065 0.498953 0.483545 -31.00000 0.05447 0.05646 = 0.06415 0.02228 0.03185 0.01805 AFIX 137 H25A 2 0.257575 0.510729 0.522113 -31.00000 -1.50000 H25B 2 0.194021 0.459559 0.490745 -31.00000 -1.50000 H25C 2 0.168768 0.527495 0.476324 -31.00000 -1.50000 AFIX 0 PART 0 PART 2 C4A 1 -0.138464 0.581288 0.090673 -21.00000 0.04732 0.06903 = 0.04308 -0.00377 0.01436 -0.00746 AFIX 13 H4A 2 -0.145422 0.558837 0.126637 -21.00000 -1.20000 AFIX 0 C5A 1 -0.184418 0.543752 0.032043 -21.00000 0.04343 0.12690 = 0.09644 -0.05453 0.01643 -0.00404 AFIX 137 H5AA 2 -0.165575 0.550789 -0.002556 -21.00000 -1.50000 H5AB 2 -0.240154 0.554083 0.015869 -21.00000 -1.50000 H5AC 2 -0.177486 0.501909 0.044590 -21.00000 -1.50000 AFIX 0 C6A 1 -0.179375 0.638889 0.091567 -21.00000 0.04773 0.08809 = 0.04679 -0.00680 0.01237 0.00477 AFIX 137 H6AA 2 -0.147679 0.661376 0.130966 -21.00000 -1.50000 H6AB 2 -0.230910 0.630527 0.091797 -21.00000 -1.50000 H6AC 2 -0.186039 0.662082 0.052519 -21.00000 -1.50000 AFIX 0 C23A 1 0.232086 0.489881 0.403202 31.00000 0.03068 0.03318 = 0.06350 0.00826 0.00020 -0.00102 AFIX 13 H23A 2 0.281138 0.465718 0.417414 31.00000 -1.20000 AFIX 0 C24A 1 0.173940 0.464058 0.337540 31.00000 0.05291 0.03315 = 0.07706 0.00860 0.00571 -0.02168 AFIX 137 H24D 2 0.122710 0.483163 0.325101 31.00000 -1.50000 H24E 2 0.168515 0.421389 0.342304 31.00000 -1.50000 H24F 2 0.193649 0.471214 0.303492 31.00000 -1.50000 AFIX 0 C25A 1 0.198422 0.482052 0.455172 31.00000 0.04497 0.03126 = 0.07435 0.01684 0.01272 -0.00500 AFIX 137 H25D 2 0.229852 0.504892 0.494365 31.00000 -1.50000 H25E 2 0.199820 0.440097 0.466671 31.00000 -1.50000 H25F 2 0.144068 0.496162 0.437709 31.00000 -1.50000 AFIX 0 PART 0 TH2 6 0.402326 0.263491 0.771385 11.00000 0.02011 0.04306 = 0.02921 0.00099 0.00796 0.00268 P2 4 0.248584 0.307962 0.767630 11.00000 0.03181 0.10347 = 0.06716 -0.01564 0.02127 0.01264 H2D 2 0.184763 0.269712 0.731416 11.00000 -1.20000 H2E 2 0.247159 0.312597 0.830040 11.00000 -1.20000 SI4 5 0.527453 0.365251 0.896883 11.00000 0.04461 0.03248 = 0.04920 -0.00910 0.02629 0.00148 SI5 5 0.348416 0.117482 0.815738 11.00000 0.03982 0.04830 = 0.04040 -0.00394 0.02493 -0.01077 SI6 5 0.354100 0.321618 0.607447 11.00000 0.05009 0.10730 = 0.04094 0.02557 0.01374 0.01942 N5 3 0.510633 0.296136 0.858939 11.00000 0.02445 0.03328 = 0.03381 -0.00502 0.01074 0.00362 N6 3 0.395519 0.162315 0.779321 11.00000 0.03187 0.04471 = 0.03410 -0.01180 0.01648 -0.01145 N7 3 0.421402 0.290322 0.678928 11.00000 0.03020 0.05953 = 0.03640 0.01590 0.00990 0.00717 N8 3 0.533771 0.212958 0.772548 11.00000 0.02622 0.03185 = 0.03157 -0.00352 0.01351 -0.00325 C34 1 0.608591 0.410559 0.888019 11.00000 0.05056 0.03760 = 0.08319 -0.01578 0.02671 -0.00846 AFIX 13 H34 2 0.602997 0.451526 0.902527 11.00000 -1.20000 AFIX 0 C35 1 0.693176 0.392981 0.927374 11.00000 0.06004 0.06489 = 0.13808 -0.01843 0.03705 -0.01075 AFIX 137 H35A 2 0.703728 0.392834 0.974156 11.00000 -1.50000 H35B 2 0.728063 0.421384 0.919306 11.00000 -1.50000 H35C 2 0.702446 0.353357 0.914113 11.00000 -1.50000 AFIX 0 C36 1 0.596465 0.416059 0.814320 11.00000 0.09502 0.06338 = 0.10185 -0.00973 0.06372 -0.01109 AFIX 137 H36A 2 0.614822 0.379828 0.800838 11.00000 -1.50000 H36B 2 0.626380 0.449945 0.809247 11.00000 -1.50000 H36C 2 0.540624 0.421837 0.786870 11.00000 -1.50000 AFIX 0 C37 1 0.566601 0.357222 0.991454 11.00000 0.06915 0.06790 = 0.05260 -0.01058 0.02172 0.01215 AFIX 13 H37 2 0.621693 0.342433 1.006378 11.00000 -1.20000 AFIX 0 C38 1 0.571765 0.417222 1.024730 11.00000 0.18333 0.08012 = 0.05400 -0.02501 0.03591 0.01137 AFIX 137 H38A 2 0.606505 0.443465 1.013620 11.00000 -1.50000 H38B 2 0.592760 0.411777 1.072359 11.00000 -1.50000 H38C 2 0.519336 0.434855 1.009522 11.00000 -1.50000 AFIX 0 C39 1 0.523331 0.312499 1.015367 11.00000 0.06126 0.07420 = 0.05049 -0.00185 0.02488 0.01365 AFIX 137 H39A 2 0.469244 0.325830 1.003473 11.00000 -1.50000 H39B 2 0.549793 0.308731 1.063123 11.00000 -1.50000 H39C 2 0.522998 0.274039 0.994957 11.00000 -1.50000 AFIX 0 C40 1 0.433135 0.405963 0.859524 11.00000 0.05553 0.04732 = 0.07706 -0.00325 0.02988 0.00501 AFIX 13 H40 2 0.404149 0.387605 0.815491 11.00000 -1.20000 AFIX 0 C41 1 0.437435 0.472509 0.846923 11.00000 0.09632 0.05127 = 0.10367 0.00962 0.05063 0.01329 AFIX 137 H41A 2 0.464062 0.493064 0.888810 11.00000 -1.50000 H41B 2 0.384227 0.488308 0.824481 11.00000 -1.50000 H41C 2 0.466756 0.478552 0.819449 11.00000 -1.50000 AFIX 0 C42 1 0.379189 0.398193 0.897481 11.00000 0.06776 0.06891 = 0.10024 0.00007 0.04847 0.01606 AFIX 137 H42A 2 0.368570 0.356044 0.900243 11.00000 -1.50000 H42B 2 0.329633 0.419196 0.874241 11.00000 -1.50000 H42C 2 0.405508 0.414462 0.941779 11.00000 -1.50000 AFIX 0 C43 1 0.576715 0.253687 0.883365 11.00000 0.02319 0.04356 = 0.03452 -0.00975 0.00292 0.00460 AFIX 23 H43A 2 0.560272 0.217378 0.899263 11.00000 -1.20000 H43B 2 0.621273 0.271409 0.920459 11.00000 -1.20000 AFIX 0 C44 1 0.602051 0.238204 0.828578 11.00000 0.02124 0.03441 = 0.03949 -0.00720 0.00689 0.00203 AFIX 23 H44A 2 0.621213 0.274111 0.814231 11.00000 -1.20000 H44B 2 0.645312 0.209007 0.844365 11.00000 -1.20000 AFIX 0 C45 1 0.416819 0.057050 0.866163 11.00000 0.05311 0.05474 = 0.05668 0.00020 0.03581 -0.00020 AFIX 13 H45 2 0.442216 0.040480 0.837903 11.00000 -1.20000 AFIX 0 C46 1 0.484031 0.078897 0.928533 11.00000 0.07296 0.07322 = 0.05407 0.01730 0.02404 -0.00046 AFIX 137 H46A 2 0.509231 0.113100 0.918063 11.00000 -1.50000 H46B 2 0.522622 0.047155 0.946603 11.00000 -1.50000 H46C 2 0.463285 0.090426 0.960873 11.00000 -1.50000 AFIX 0 C47 1 0.375525 0.004807 0.882584 11.00000 0.08171 0.06414 = 0.09340 0.01710 0.05598 0.00110 AFIX 137 H47A 2 0.347280 0.018811 0.908665 11.00000 -1.50000 H47B 2 0.414580 -0.024733 0.907703 11.00000 -1.50000 H47C 2 0.338292 -0.013082 0.841891 11.00000 -1.50000 AFIX 0 C48 1 0.310755 0.166719 0.864845 11.00000 0.04621 0.05773 = 0.04033 0.00140 0.02639 -0.00320 AFIX 13 H48 2 0.274680 0.195398 0.832565 11.00000 -1.20000 AFIX 0 C49 1 0.372140 0.205036 0.918031 11.00000 0.06437 0.06236 = 0.04978 -0.00910 0.03372 -0.00027 AFIX 137 H49A 2 0.400176 0.180827 0.956974 11.00000 -1.50000 H49B 2 0.345765 0.237834 0.929663 11.00000 -1.50000 H49C 2 0.409548 0.220835 0.901305 11.00000 -1.50000 AFIX 0 C50 1 0.259987 0.134227 0.893858 11.00000 0.06249 0.08070 = 0.05716 -0.00526 0.04428 -0.00814 AFIX 137 H50A 2 0.220566 0.110326 0.859698 11.00000 -1.50000 H50B 2 0.233672 0.163136 0.910876 11.00000 -1.50000 H50C 2 0.293217 0.108415 0.929577 11.00000 -1.50000 AFIX 0 C51 1 0.259071 0.078682 0.751661 11.00000 0.04615 0.05591 = 0.05384 -0.00604 0.02981 -0.02082 AFIX 13 H51 2 0.238763 0.050436 0.775682 11.00000 -1.20000 AFIX 0 C52 1 0.193183 0.122766 0.716119 11.00000 0.04496 0.06973 = 0.06321 -0.00963 0.01480 -0.01859 AFIX 137 H52A 2 0.179299 0.144034 0.748276 11.00000 -1.50000 H52B 2 0.147136 0.101412 0.685660 11.00000 -1.50000 H52C 2 0.210932 0.151073 0.691667 11.00000 -1.50000 AFIX 0 C53 1 0.278986 0.042625 0.702646 11.00000 0.06310 0.08597 = 0.08192 -0.03597 0.04179 -0.03157 AFIX 137 H53A 2 0.301521 0.068682 0.679588 11.00000 -1.50000 H53B 2 0.231182 0.024162 0.670880 11.00000 -1.50000 H53C 2 0.317067 0.011833 0.725936 11.00000 -1.50000 AFIX 0 C54 1 0.440572 0.131284 0.748024 11.00000 0.04872 0.04230 = 0.04772 -0.00665 0.03060 -0.01804 AFIX 23 H54A 2 0.419520 0.141472 0.700847 11.00000 -1.20000 H54B 2 0.435317 0.088021 0.751882 11.00000 -1.20000 AFIX 0 C55 1 0.526553 0.148614 0.780400 11.00000 0.04619 0.02947 = 0.04147 -0.00563 0.02501 -0.00102 AFIX 23 H55A 2 0.547906 0.138334 0.827560 11.00000 -1.20000 H55B 2 0.556874 0.126783 0.759844 11.00000 -1.20000 AFIX 0 C56 1 0.372379 0.302933 0.534253 11.00000 0.07285 0.11097 = 0.03652 0.00878 0.01891 0.01880 AFIX 13 H56 2 0.426414 0.316176 0.541240 11.00000 -1.20000 AFIX 0 C57 1 0.367827 0.231932 0.527840 11.00000 0.19486 0.12830 = 0.06322 -0.00581 0.01885 0.03937 AFIX 137 H57A 2 0.417688 0.214729 0.557830 11.00000 -1.50000 H57B 2 0.357768 0.220587 0.482712 11.00000 -1.50000 H57C 2 0.325254 0.217276 0.539074 11.00000 -1.50000 AFIX 0 C58 1 0.314260 0.327776 0.469708 11.00000 0.12858 0.12034 = 0.03687 0.01674 0.02504 0.04250 AFIX 137 H58A 2 0.260800 0.317510 0.464119 11.00000 -1.50000 H58B 2 0.324825 0.310957 0.433537 11.00000 -1.50000 H58C 2 0.319619 0.370908 0.469781 11.00000 -1.50000 AFIX 0 C59 1 0.361737 0.408393 0.609094 11.00000 0.07042 0.06991 = 0.06910 0.02037 0.01869 0.01433 AFIX 13 H59 2 0.320516 0.423555 0.567249 11.00000 -1.20000 AFIX 0 C60 1 0.439889 0.428953 0.612131 11.00000 0.07928 0.09045 = 0.13738 0.04119 0.05120 0.01057 AFIX 137 H60A 2 0.481841 0.412447 0.651218 11.00000 -1.50000 H60B 2 0.442180 0.472251 0.614282 11.00000 -1.50000 H60C 2 0.446608 0.415567 0.572874 11.00000 -1.50000 AFIX 0 C61 1 0.344211 0.433883 0.666072 11.00000 0.09965 0.09734 = 0.09126 -0.00548 0.04021 0.01226 AFIX 137 H61A 2 0.294567 0.417628 0.664223 11.00000 -1.50000 H61B 2 0.340261 0.477064 0.662240 11.00000 -1.50000 H61C 2 0.386679 0.423137 0.707921 11.00000 -1.50000 AFIX 0 C62 1 0.256187 0.306319 0.607906 11.00000 0.03433 0.08211 = 0.02995 0.00634 0.00348 0.00178 AFIX 13 H62 2 0.258081 0.319279 0.651428 11.00000 -1.20000 AFIX 0 C63 1 0.183386 0.334047 0.555289 11.00000 0.04997 0.12332 = 0.06249 0.02619 0.00842 0.02095 AFIX 137 H63A 2 0.180849 0.376039 0.565202 11.00000 -1.50000 H63B 2 0.136427 0.313801 0.554404 11.00000 -1.50000 H63C 2 0.186100 0.330119 0.512449 11.00000 -1.50000 AFIX 0 C64 1 0.241239 0.236582 0.602552 11.00000 0.09654 0.10682 = 0.09223 0.01953 0.00825 -0.02076 AFIX 137 H64A 2 0.210100 0.225900 0.556734 11.00000 -1.50000 H64B 2 0.212773 0.225246 0.629423 11.00000 -1.50000 H64C 2 0.291670 0.215802 0.618215 11.00000 -1.50000 AFIX 0 C65 1 0.504523 0.286553 0.685508 11.00000 0.03419 0.06065 = 0.04049 0.01871 0.01849 0.00371 AFIX 23 H65A 2 0.536340 0.316985 0.716907 11.00000 -1.20000 H65B 2 0.506331 0.294858 0.642513 11.00000 -1.20000 AFIX 0 C66 1 0.539083 0.226623 0.708914 11.00000 0.03107 0.05080 = 0.03873 0.00610 0.01892 -0.00309 AFIX 23 H66A 2 0.510248 0.196311 0.675940 11.00000 -1.20000 H66B 2 0.594660 0.225976 0.714710 11.00000 -1.20000 AFIX 0 HKLF 4 REM thew9_a.res in P2(1)/n REM R1 = 0.0584 for 12109 Fo > 4sig(Fo) and 0.1171 for all 19920 data REM 865 parameters refined using 1765 restraints END WGHT 0.0338 0.0000 REM Highest difference peak 3.620, deepest hole -2.373, 1-sigma level 0.163 Q1 1 0.3390 0.2746 0.5916 11.00000 0.05 3.62 Q2 1 0.4303 0.2386 0.7564 11.00000 0.05 1.81 Q3 1 0.1407 0.6364 0.2397 11.00000 0.05 1.57 Q4 1 0.0834 0.6390 0.2780 11.00000 0.05 1.54 Q5 1 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39.72 0 10 -23 15.37 14.70 0 10 -23 -0.53 17.47 0 11 0 -111.37 63.67 0 11 1 37.79 31.48 0 11 -1 98.28 35.59 0 11 -1 133.87 49.78 0 11 -2 255.50 57.95 0 11 2 280.21 55.91 0 11 -2 262.44 48.35 0 11 -3 15.79 14.25 0 11 -3 15.79 28.65 0 11 -4 9.64 12.54 0 11 4 38.71 28.67 0 11 -5 24.75 18.72 0 11 5 62.10 30.70 0 11 -6 38.21 18.48 0 11 -6 40.70 17.11 0 11 -7 400.76 44.98 0 11 -7 326.16 49.32 0 11 -8 216.48 32.36 0 11 -8 254.70 44.29 0 11 -9 911.88 64.07 0 11 -9 1080.83 90.37 0 11 -10 27.56 16.89 0 11 -11 857.04 82.05 0 11 -12 -10.59 17.98 0 -11 13 773.86 58.40 0 11 -13 763.29 80.90 0 11 -14 187.20 42.01 0 11 -15 725.27 81.08 0 11 -16 230.54 47.96 0 11 -17 190.80 44.07 0 11 -18 122.13 35.40 0 11 -19 31.35 21.80 0 11 -20 184.57 45.87 0 11 -20 207.70 52.11 0 11 -21 54.88 29.52 0 11 -21 39.06 24.72 0 11 -22 329.76 65.67 0 11 -22 281.95 58.76 0 11 -23 18.96 24.27 0 11 -23 3.64 23.79 0 12 0 3058.74 195.53 0 12 1 889.02 103.39 0 12 -1 980.27 113.32 0 12 -2 1761.11 125.68 0 12 -2 1664.29 149.10 0 12 2 1664.13 133.38 0 12 -3 1261.23 126.56 0 12 3 1200.69 109.33 0 12 -3 1249.08 101.06 0 12 -4 2279.83 129.97 0 12 4 2249.20 145.10 0 12 5 1318.60 109.52 0 12 -5 1442.66 97.57 0 12 -6 2639.79 144.63 0 12 -6 2493.98 122.23 0 12 -7 447.75 61.02 0 12 -7 441.28 50.92 0 12 -8 1900.84 100.51 0 12 -8 1844.08 120.06 0 12 -9 63.18 19.36 0 12 -9 58.42 25.45 0 12 -10 348.21 54.17 0 12 -10 375.95 40.67 0 12 -11 132.93 35.36 0 12 -12 -2.69 17.77 0 12 -13 65.92 27.47 0 12 -14 25.43 20.28 0 12 -15 27.36 24.87 0 12 -16 -26.00 26.80 0 12 -17 27.80 21.52 0 12 -18 154.95 42.42 0 12 -19 134.35 39.44 0 12 -20 115.12 37.89 0 12 -21 107.15 38.83 0 12 -21 94.25 34.32 0 12 -22 3.12 21.73 0 12 -22 -11.53 26.29 0 12 -23 100.83 36.61 0 12 -23 104.28 37.04 0 13 0 -68.86 64.18 0 13 -1 -15.90 28.99 0 13 1 -46.51 53.77 0 13 2 27.27 30.35 0 13 -2 34.35 32.11 0 13 3 -16.98 26.14 0 13 -3 -8.34 27.81 0 13 4 47.88 34.10 0 13 -4 -0.25 17.12 0 13 5 82.94 37.02 0 13 -5 25.93 15.93 0 13 -6 148.12 32.23 0 13 6 223.51 56.87 0 13 -6 151.09 38.05 0 13 -7 4.41 15.33 0 13 -7 7.21 11.33 0 13 -8 183.12 32.77 0 13 -8 198.81 44.60 0 13 -9 80.59 22.14 0 13 -9 46.30 19.43 0 13 -10 85.64 31.14 0 13 -10 68.42 18.92 0 13 -11 83.67 31.47 0 13 -12 -2.77 22.15 0 13 -13 -8.96 19.52 0 13 -14 27.83 19.44 0 13 -15 14.79 16.70 0 13 -16 -17.05 23.21 0 13 -17 -3.26 22.39 0 13 -18 43.72 25.25 0 13 -19 10.79 15.85 0 13 -20 19.39 16.86 0 13 -21 106.62 40.18 0 13 -22 96.25 38.91 0 13 -22 37.23 25.84 0 13 -23 143.26 48.23 0 14 0 40.85 38.98 0 14 1 3810.31 233.49 0 14 -1 3357.28 228.24 0 14 -2 576.76 94.80 0 14 2 605.21 91.67 0 14 -3 3396.53 224.33 0 14 3 3091.51 199.47 0 14 4 721.76 95.13 0 14 5 2119.88 155.94 0 14 -6 4.92 18.54 0 14 -6 49.33 23.34 0 14 -7 1436.65 101.68 0 14 7 1398.31 122.40 0 14 -7 1427.16 116.50 0 14 -8 0.54 17.64 0 14 -8 -14.15 17.35 0 14 -9 718.48 82.72 0 14 -9 738.26 68.28 0 14 -10 24.53 22.34 0 14 -10 23.86 12.66 0 14 -11 267.35 52.27 0 14 -12 139.65 38.83 0 14 -13 51.51 26.28 0 14 -14 23.40 22.17 0 14 -15 17.67 23.83 0 14 -16 25.57 22.81 0 14 -17 50.75 28.37 0 14 -18 25.48 17.09 0 14 -19 258.02 57.50 0 14 -20 3.89 18.80 0 14 -21 240.25 58.45 0 14 -22 -4.19 22.14 0 14 -22 -25.59 31.78 0 14 -23 209.55 54.42 0 15 0 -14.52 29.11 0 15 1 -54.33 52.43 0 15 -1 37.67 32.01 0 15 -2 33.74 27.60 0 15 2 -8.41 38.70 0 15 3 84.84 44.49 0 15 -3 127.28 49.94 0 15 4 115.98 49.17 0 15 5 18.35 27.17 0 15 6 303.99 66.85 0 15 -6 164.78 40.60 0 15 -7 38.94 22.17 0 15 -7 -0.06 17.91 0 15 -8 4.24 21.82 0 15 -8 9.78 10.96 0 15 -9 -13.06 15.51 0 15 -9 16.92 19.82 0 15 -10 97.16 37.61 0 15 -11 -4.33 20.87 0 15 -12 110.52 37.90 0 15 -13 -2.68 21.39 0 15 -14 195.97 48.55 0 15 -15 24.03 22.21 0 15 -16 245.37 57.41 0 15 -17 54.10 29.85 0 15 -18 179.68 50.32 0 15 -19 91.66 37.65 0 15 -20 197.04 50.81 0 15 -21 175.25 52.91 0 15 -22 65.73 34.03 0 15 -23 79.38 37.57 0 16 0 43.82 35.70 0 16 1 633.35 101.24 0 16 -1 816.95 121.42 0 16 -2 89.57 42.23 0 16 2 84.46 36.16 0 16 -3 1966.88 181.92 0 16 3 1974.17 177.80 0 16 4 369.68 80.78 0 16 5 1739.59 158.74 0 16 -6 188.06 48.68 0 16 6 348.67 73.14 0 16 7 1086.35 122.91 0 16 -7 965.41 103.30 0 16 8 311.83 67.88 0 16 -8 243.82 52.41 0 16 -9 524.45 78.19 0 16 9 793.24 105.22 0 16 10 523.82 88.19 0 16 -10 488.88 73.97 0 16 -11 181.66 45.65 0 16 -12 70.53 32.52 0 16 -13 30.68 28.05 0 16 -14 35.94 27.58 0 16 -15 72.04 34.66 0 16 -16 -15.25 20.44 0 16 -17 92.84 33.94 0 16 -18 -8.36 16.81 0 16 -19 207.05 55.13 0 16 -20 43.14 30.23 0 16 -21 151.03 48.85 0 16 -22 28.30 27.83 0 16 -23 60.07 32.80 0 17 0 18.69 27.19 0 17 -1 85.29 49.26 0 17 1 -12.41 36.38 0 17 -2 26.65 26.94 0 17 2 20.00 40.11 0 17 -3 -14.43 41.82 0 17 3 -53.80 47.16 0 17 4 0.62 39.16 0 17 5 594.28 97.33 0 17 6 300.43 76.58 0 17 -6 201.30 49.23 0 17 -7 692.41 91.09 0 17 7 677.05 101.92 0 17 -8 391.86 68.27 0 17 8 549.33 95.65 0 17 -9 147.80 42.60 0 17 9 244.79 65.70 0 17 -10 398.72 67.80 0 17 10 497.03 88.16 0 17 11 429.93 84.43 0 17 -11 261.51 55.49 0 17 -12 439.53 74.33 0 17 12 527.64 91.52 0 17 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1 100.07 54.14 0 19 -2 142.86 59.98 0 19 2 56.41 37.57 0 19 3 309.28 76.97 0 19 -3 375.07 85.21 0 19 4 -28.70 55.40 0 19 5 687.51 116.45 0 19 6 18.46 31.20 0 19 -6 13.26 27.20 0 19 -7 704.36 96.29 0 19 7 693.36 117.73 0 19 8 220.65 68.30 0 19 -8 174.01 47.79 0 19 9 1336.34 152.73 0 19 -9 1295.76 129.98 0 19 10 149.07 62.18 0 19 -10 75.06 37.19 0 19 -11 1089.34 121.68 0 19 11 1295.78 152.56 0 19 -12 -2.23 20.92 0 19 12 96.23 59.68 0 19 -13 726.87 100.98 0 19 13 967.83 136.54 0 19 14 234.19 77.17 0 19 -14 13.20 17.91 0 19 -15 526.16 86.95 0 19 15 765.60 125.51 0 19 16 231.79 80.63 0 19 -16 70.34 35.81 0 19 17 717.07 131.63 0 19 -17 446.72 81.81 0 19 -18 9.53 24.14 0 19 -19 354.15 75.04 0 19 -20 8.74 20.89 0 19 -21 87.14 42.62 0 20 0 142.21 58.97 0 20 1 27.65 33.01 0 20 -1 -16.80 40.67 0 20 2 24.72 33.24 0 20 -2 1.52 31.22 0 20 -3 55.47 38.50 0 20 3 0.14 59.41 0 20 4 -58.98 55.96 0 20 5 -58.68 46.87 0 20 6 -145.37 76.05 0 20 -6 6.39 25.80 0 20 -7 78.00 40.02 0 20 7 48.58 44.01 0 20 8 16.14 41.24 0 20 -8 62.45 34.54 0 20 9 126.41 55.53 0 20 -9 125.27 46.00 0 20 -10 40.34 34.05 0 20 10 69.55 54.99 0 20 -11 162.03 51.48 0 20 11 267.94 81.26 0 20 12 100.60 53.53 0 20 -12 -2.70 18.36 0 20 -13 113.63 46.17 0 20 13 216.95 74.83 0 20 14 150.71 69.01 0 20 -14 30.80 31.69 0 20 15 310.61 93.08 0 20 -15 83.57 37.98 0 20 16 199.34 89.58 0 20 -16 5.40 21.16 0 20 -17 66.54 31.30 0 20 17 315.08 98.62 0 20 -18 18.04 28.20 0 20 18 212.68 91.68 0 20 -19 78.19 43.96 0 20 -20 -12.90 27.13 0 21 0 -47.19 52.57 0 21 1 144.56 60.72 0 21 -1 130.74 57.67 0 21 -2 -9.61 39.20 0 21 2 31.22 39.80 0 21 3 204.14 49.60 0 21 -3 261.42 77.41 0 21 4 -52.87 72.65 0 21 5 303.53 86.34 0 21 6 -27.01 46.37 0 21 -6 57.91 40.74 0 21 -7 722.99 101.33 0 21 7 522.07 110.63 0 21 -8 23.17 24.84 0 21 8 -58.88 52.86 0 21 9 986.75 145.99 0 21 -9 1043.06 123.93 0 21 10 156.96 71.04 0 21 -10 102.99 43.16 0 21 -11 592.60 94.11 0 21 11 720.53 127.95 0 21 12 246.58 78.69 0 21 -12 93.93 39.71 0 21 -13 516.41 91.73 0 21 13 545.05 114.18 0 21 14 334.72 90.45 0 21 -14 125.28 47.24 0 21 15 685.87 134.52 0 21 -15 561.13 95.99 0 21 -16 116.46 45.44 0 21 16 455.71 117.20 0 21 -17 315.03 71.78 0 21 17 636.58 129.60 0 21 -18 121.25 55.14 0 21 -19 193.40 60.12 0 22 0 102.20 44.09 0 22 1 115.44 60.60 0 22 -1 3.08 40.22 0 22 2 198.02 73.28 0 22 -2 275.60 79.62 0 22 3 93.18 50.49 0 22 4 115.86 52.48 0 22 5 1.26 50.61 0 22 6 58.26 40.98 0 22 -6 96.53 42.86 0 22 7 1.58 37.23 0 22 -7 44.81 33.99 0 22 8 91.01 51.42 0 22 -8 125.30 46.36 0 22 9 -19.59 42.31 0 22 -9 14.72 25.08 0 22 10 211.39 74.86 0 22 -10 209.40 63.43 0 22 11 61.42 47.40 0 22 -11 8.52 23.50 0 22 12 193.79 81.04 0 22 -12 78.32 40.85 0 22 13 113.55 68.10 0 22 -13 43.66 29.58 0 22 14 148.13 77.42 0 22 -14 78.87 42.38 0 22 -15 15.92 24.90 0 22 15 108.82 57.66 0 22 -16 17.60 24.29 0 22 16 262.60 100.28 0 22 -17 -8.45 23.97 0 22 -18 39.85 38.08 0 23 0 48.68 48.90 0 23 1 -53.23 54.26 0 23 -1 -31.06 42.56 0 23 -2 48.28 49.83 0 23 2 57.38 41.84 0 23 3 -50.18 52.25 0 23 4 -7.81 32.76 0 23 5 -33.31 53.49 0 23 -6 171.37 53.18 0 23 6 38.19 49.78 0 23 -7 70.03 37.44 0 23 7 13.76 43.46 0 23 -8 359.82 78.05 0 23 8 399.17 99.20 0 23 9 -45.19 46.86 0 23 -9 94.02 43.39 0 23 -10 298.99 70.03 0 23 10 227.66 82.40 0 23 -11 147.60 50.81 0 23 11 88.45 64.67 0 23 -12 293.51 75.69 0 23 12 181.62 70.46 0 23 13 128.76 71.00 0 23 -13 104.08 43.14 0 23 -14 293.02 73.04 0 23 14 566.10 131.83 0 23 -15 20.46 25.29 0 23 -16 336.40 81.19 0 24 0 65.54 30.90 0 24 -1 498.18 113.83 0 24 1 399.30 102.62 0 24 -2 75.67 54.35 0 24 2 98.57 54.74 0 24 3 606.43 127.47 0 24 4 95.11 65.70 0 24 5 115.90 40.73 0 24 -6 69.15 34.19 0 24 6 17.11 47.65 0 24 -7 126.98 49.32 0 24 7 60.60 36.84 0 24 8 3.58 62.37 0 24 -8 89.08 39.93 0 24 9 87.53 59.82 0 24 -9 92.27 39.66 0 24 -10 122.46 52.00 0 24 10 -18.71 54.48 0 24 -11 20.16 27.15 0 24 11 26.48 38.44 0 24 12 76.68 54.13 0 24 -12 6.27 24.08 0 24 13 -8.87 41.90 0 24 -13 -26.49 35.74 0 24 -14 -8.12 34.60 0 24 -15 -25.13 37.82 0 25 0 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61.08 40.10 0 27 -6 49.34 35.59 0 27 6 14.78 40.76 0 27 -7 31.10 33.29 0 27 7 -134.10 90.44 0 27 -8 9.39 26.46 0 28 0 226.96 82.74 0 28 1 176.16 78.89 0 28 2 116.80 73.20 0 28 3 65.81 59.86 0 28 4 272.59 96.16 0 28 5 87.61 50.82 0 29 0 67.88 55.17 0 29 1 2.17 32.47 1 0 -25 110.06 42.53 1 0 -24 -5.51 19.29 1 0 -24 34.35 23.88 1 0 -23 106.79 38.79 1 0 -23 44.28 25.85 1 0 -22 41.18 23.90 1 0 -22 -6.34 19.42 1 0 -21 138.16 35.54 1 0 -21 208.97 45.28 1 0 -20 4.62 15.46 1 0 -20 13.72 21.90 1 0 -19 294.76 45.98 1 0 -19 314.01 51.19 1 0 -18 -3.64 11.18 1 0 -18 7.10 9.98 1 0 -17 457.76 58.07 1 0 -17 470.99 53.03 1 0 -16 -6.62 13.80 1 0 -16 -3.77 12.35 1 0 -15 1241.68 85.51 1 0 -15 1260.23 82.88 1 0 -14 -12.70 15.24 1 0 -14 -8.43 11.28 1 0 -13 2713.68 115.06 1 0 -13 2725.68 112.35 1 0 -12 2.75 11.44 1 0 -12 -5.18 12.10 1 0 -11 3223.69 115.55 1 0 -11 3338.93 114.84 1 0 -10 1.73 9.09 1 0 -10 -3.53 10.65 -1 0 10 4.25 8.25 1 0 -9 3175.28 102.75 -1 0 9 3145.16 107.97 1 0 -9 3222.36 103.54 1 0 -8 4.89 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11.52 10.94 -2 -4 -1 120.50 25.21 -2 4 -1 98.40 19.31 2 -4 1 103.03 18.55 2 -4 1 111.57 19.95 2 4 1 102.85 25.95 -2 4 -1 109.91 20.00 2 -4 2 2016.81 79.56 2 4 2 2003.47 87.69 2 -4 2 2021.04 82.30 -2 4 -2 2128.44 83.57 2 -4 3 764.17 50.25 -2 4 -3 686.69 49.78 2 4 4 389.23 30.09 2 -4 4 437.03 39.14 -2 4 -4 399.77 32.36 -2 4 -4 360.85 36.07 2 4 5 55.64 12.76 2 -4 5 35.01 13.09 -2 4 -5 40.91 10.50 2 4 6 294.55 25.04 2 -4 6 328.00 38.20 -2 4 -6 270.79 29.27 2 4 6 300.23 29.97 2 4 7 35.58 10.10 2 -4 7 50.72 17.00 -2 4 -7 41.00 12.57 2 -4 7 16.32 11.20 2 -4 8 3124.34 123.73 2 4 8 2985.71 91.93 -2 4 -8 3089.13 103.28 2 -4 8 3122.69 113.74 2 -4 9 152.03 27.23 -2 4 -9 131.08 23.00 2 4 9 143.85 22.33 -2 -4 -9 140.20 25.04 2 -4 9 136.06 27.59 -2 -4 -10 2981.93 110.77 2 -4 10 3001.88 129.91 2 -4 10 2968.89 120.58 -2 4 -10 2944.40 110.17 2 4 10 3010.10 105.63 -2 4 -11 19.85 11.96 -2 4 -11 -12.73 16.87 -2 -4 -11 20.17 15.90 -2 4 -12 1924.79 104.22 -2 -4 -12 1915.62 97.65 -2 4 -12 1856.97 94.33 -2 4 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1234.73 118.90 5 14 -15 323.42 62.42 5 14 -14 1190.31 115.00 5 14 -13 138.48 38.24 5 14 -12 1802.07 139.34 5 14 -11 76.86 31.85 5 14 -10 1350.12 117.78 5 14 -10 1262.32 80.42 5 14 -9 172.38 41.94 5 14 -9 180.51 36.19 5 14 -8 351.10 60.46 5 14 -7 161.86 39.22 5 14 -6 221.41 49.10 -5 14 5 265.92 57.97 5 14 -5 217.90 48.65 -5 14 4 95.89 39.51 5 14 -4 12.82 20.40 -5 14 3 113.02 40.27 5 14 -3 90.97 41.58 5 14 -2 3.41 46.09 -5 14 2 -16.66 33.82 5 -14 -1 42.05 32.07 -5 14 1 -9.83 29.07 5 14 -1 17.36 29.14 5 -14 0 279.43 64.66 5 14 0 152.58 52.86 -5 14 0 322.58 59.37 5 14 1 14.57 34.83 5 -14 1 80.47 40.76 -5 14 -1 34.19 26.85 -5 14 -2 807.16 99.33 5 14 2 665.54 105.54 5 -14 2 773.08 99.60 5 14 3 56.41 30.34 5 -14 3 125.73 43.27 5 14 4 587.07 100.72 5 -14 4 757.94 96.31 5 14 5 374.74 80.07 5 -14 5 462.76 74.39 5 14 6 853.05 117.27 5 -14 6 898.44 101.62 -5 14 -7 319.64 56.94 5 14 7 288.44 70.16 5 -14 7 221.12 53.77 -5 14 -8 2204.60 141.00 5 14 8 2076.74 173.68 5 -14 8 1891.91 147.35 -5 14 -9 143.51 40.58 5 14 9 130.79 47.93 5 -14 9 93.18 36.21 5 -14 10 2016.29 148.94 5 14 10 1694.53 153.22 -5 14 -10 2021.41 136.44 -5 14 -11 76.77 29.10 5 -14 11 108.27 34.04 5 14 12 1297.21 135.54 -5 14 -12 1231.41 108.88 -5 14 -13 65.96 24.26 5 14 13 197.81 62.75 -5 14 -14 875.77 93.93 5 14 14 865.38 115.17 5 14 15 102.96 53.58 -5 14 -15 7.15 15.69 5 14 16 678.55 109.49 -5 14 -16 555.03 76.30 5 14 17 153.63 61.90 -5 14 -18 353.64 67.69 5 14 18 593.80 112.25 -5 14 -19 -15.36 28.22 5 14 19 117.05 61.76 5 14 20 429.98 105.69 5 14 21 129.85 68.31 5 15 -24 128.42 49.72 5 15 -23 -6.98 27.40 5 15 -22 104.70 42.90 5 15 -21 5.00 22.06 5 15 -20 169.47 53.83 5 15 -19 -4.10 23.25 5 15 -18 353.87 70.14 5 15 -17 -9.08 24.11 5 15 -16 538.70 81.99 5 15 -15 66.55 32.00 5 15 -14 712.05 92.81 5 15 -13 115.88 37.51 5 15 -12 797.38 95.77 5 15 -11 116.73 37.78 5 15 -10 626.75 83.26 5 15 -9 510.64 62.45 5 15 -9 429.18 69.19 5 15 -8 125.08 40.43 5 15 -8 89.92 32.50 5 15 -7 333.67 62.00 5 15 -6 162.42 41.81 -5 15 6 236.72 55.64 5 15 -5 379.45 64.34 -5 15 5 520.20 76.05 5 15 -4 270.41 54.55 -5 15 4 227.02 55.74 5 15 -3 122.26 47.32 -5 15 3 105.48 38.41 -5 15 2 -4.98 20.72 5 15 -2 -3.77 28.03 -5 15 1 184.09 45.15 5 15 -1 303.59 81.93 5 15 0 18.76 38.01 -5 15 0 44.83 34.79 5 -15 1 440.99 81.83 -5 15 -1 357.97 69.94 5 15 1 326.75 83.89 5 15 2 -9.32 45.94 5 -15 2 31.47 33.75 -5 15 -2 -13.55 31.12 5 -15 3 495.04 84.56 5 15 3 292.46 67.48 5 15 4 -95.80 67.21 5 -15 4 -5.99 23.38 5 15 5 103.47 30.30 5 -15 5 225.20 58.61 5 15 6 36.65 32.97 5 -15 6 128.10 44.66 5 15 7 49.68 34.02 -5 15 -7 93.37 35.88 5 -15 7 70.17 33.55 5 15 8 23.75 37.48 -5 15 -8 37.77 26.56 5 -15 8 -6.06 20.79 5 -15 9 25.95 23.35 -5 15 -9 53.82 26.33 5 15 9 71.92 43.57 -5 15 -10 -12.03 22.20 5 -15 10 5.26 18.11 -5 15 -11 4.40 15.13 5 -15 11 -10.13 21.43 -5 15 -12 29.56 24.16 5 15 12 103.79 53.72 -5 15 -13 12.39 16.86 5 15 13 197.32 63.91 5 15 14 170.24 65.66 -5 15 -14 6.04 21.72 5 15 15 136.55 58.59 -5 15 -15 62.48 30.30 5 15 16 197.24 67.62 -5 15 -16 55.23 33.58 5 15 17 202.81 68.84 5 15 18 181.38 72.84 5 15 19 172.62 75.60 -5 15 -19 -28.58 33.91 5 15 20 165.40 80.31 5 16 -24 39.18 25.56 5 16 -23 162.17 53.40 5 16 -22 145.42 53.25 5 16 -21 170.59 55.00 5 16 -20 230.67 59.75 5 16 -19 183.89 53.81 5 16 -18 288.99 64.79 5 16 -17 115.19 41.16 5 16 -16 683.65 95.45 5 16 -15 46.35 25.78 5 16 -14 750.10 96.90 5 16 -13 18.61 19.42 5 16 -12 715.89 93.43 5 16 -11 166.63 46.19 5 16 -10 579.22 83.60 5 16 -9 118.24 39.52 5 16 -8 378.12 65.64 5 16 -8 446.65 67.34 -5 16 7 69.34 40.18 5 16 -7 -4.13 17.94 -5 16 6 340.77 70.29 5 16 -6 216.23 51.49 5 16 -5 15.35 19.63 -5 16 5 88.33 44.70 -5 16 4 6.52 28.18 5 16 -4 33.08 28.62 -5 16 3 -0.46 21.58 5 16 -3 -9.36 35.33 5 16 -2 4.16 35.96 -5 16 2 -17.31 38.13 -5 16 1 32.52 37.81 5 16 -1 159.12 64.05 5 16 0 70.75 46.64 -5 16 0 54.36 36.53 -5 16 -1 243.15 61.16 5 16 1 284.96 85.64 -5 16 -2 176.84 52.01 5 -16 2 188.94 56.00 5 16 2 235.48 75.55 5 16 3 -47.52 56.31 5 -16 3 29.39 31.67 5 -16 4 533.54 90.38 5 16 4 535.90 98.20 5 16 5 -78.58 64.44 5 -16 5 39.50 32.14 5 -16 6 505.10 88.63 5 16 6 352.60 84.18 5 -16 7 116.68 42.68 -5 16 -7 161.01 43.99 5 16 7 38.54 36.79 -5 16 -8 633.18 84.42 5 -16 8 707.85 97.52 5 16 8 542.80 98.66 5 -16 9 195.73 53.23 -5 16 -9 208.40 49.56 5 16 9 167.08 57.13 5 -16 10 959.21 111.31 -5 16 -10 916.21 99.44 5 16 10 821.81 117.42 -5 16 -11 54.97 27.35 5 16 11 65.83 45.75 5 16 12 714.86 111.85 -5 16 -12 863.69 98.34 -5 16 -13 171.83 46.78 5 16 13 262.72 73.64 5 16 14 712.86 114.49 -5 16 -14 610.08 84.40 5 16 15 300.78 83.41 -5 16 -15 134.98 40.40 5 16 16 497.69 102.27 -5 16 -16 387.27 68.36 5 16 17 247.08 83.02 5 16 18 500.15 112.34 5 16 19 166.29 74.36 5 17 -23 -17.27 24.06 5 17 -22 -0.12 26.04 5 17 -21 -3.87 24.09 5 17 -20 33.65 32.36 5 17 -19 23.05 24.36 5 17 -18 69.19 37.41 5 17 -17 354.21 75.00 5 17 -16 51.66 29.11 5 17 -15 213.87 56.87 5 17 -14 216.88 56.48 5 17 -13 284.48 62.37 5 17 -12 88.39 35.90 5 17 -11 668.31 94.70 5 17 -10 -16.65 28.22 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398.29 59.74 8 -8 14 401.95 75.13 8 8 14 572.85 88.66 -8 8 -15 432.78 63.62 8 -8 15 459.10 82.59 8 8 15 489.23 84.82 8 8 16 175.30 57.09 -8 8 -16 102.80 35.56 -8 8 -17 396.08 64.83 -8 8 -18 55.51 28.85 -8 8 -19 105.72 38.66 -8 8 -20 80.75 36.06 8 9 -27 39.26 29.16 8 9 -27 40.16 24.28 8 9 -26 -20.34 26.57 8 9 -26 12.27 19.41 8 9 -25 115.69 38.24 8 9 -25 152.73 52.99 8 9 -24 56.92 25.32 8 9 -24 103.12 40.59 8 9 -23 550.58 75.18 8 9 -23 506.84 81.14 8 9 -22 37.79 21.25 8 9 -22 44.36 28.52 8 9 -21 792.93 98.45 8 9 -20 -42.05 32.52 8 9 -19 767.43 92.06 8 9 -18 123.60 38.88 8 9 -17 1433.29 120.80 8 9 -16 246.24 52.14 8 9 -15 1482.90 117.63 8 9 -14 8.40 14.52 8 9 -13 862.07 87.40 8 9 -13 845.83 43.49 8 9 -12 106.89 31.08 8 9 -12 99.66 17.68 8 9 -11 1476.54 77.12 8 9 -11 1511.87 109.13 8 -9 -10 47.02 33.87 8 9 -10 26.37 11.31 8 9 -10 44.07 22.86 8 -9 -9 1514.57 148.79 8 9 -9 1541.85 90.76 8 9 -9 1650.42 108.29 8 9 -8 188.14 35.58 8 -9 -8 145.05 49.26 8 -9 -7 695.85 97.34 8 9 -7 725.24 69.17 8 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84.00 10 5 -14 987.76 88.49 10 5 -13 77.75 24.23 10 -5 -13 89.72 38.70 10 5 -13 39.29 19.31 10 5 -12 688.20 66.73 10 -5 -12 716.18 99.83 10 5 -12 767.69 73.90 10 5 -11 7.99 9.77 -10 5 11 1.75 5.60 10 5 -11 -5.36 18.97 10 -5 -11 -1.16 21.70 10 5 -10 844.21 77.99 -10 5 10 846.63 43.22 10 -5 -10 640.68 86.91 10 5 -10 808.75 70.77 10 5 -9 409.47 56.80 -10 5 9 393.05 26.19 10 -5 -9 470.04 73.14 10 5 -9 349.39 45.90 -10 5 8 581.31 28.57 10 5 -8 525.55 65.67 10 5 -8 561.33 56.51 10 -5 -8 495.86 73.33 10 -5 -7 440.63 70.10 -10 5 7 354.53 19.19 10 5 -7 346.27 54.82 10 5 -7 347.74 43.78 10 -5 -6 37.34 28.49 -10 5 6 23.45 4.60 10 5 -6 7.98 8.66 10 5 -6 24.67 21.16 10 5 -5 50.83 20.59 10 -5 -5 45.07 25.91 -10 5 5 26.65 5.33 10 5 -5 59.26 18.22 -10 -5 4 19.35 12.75 10 -5 -4 -5.94 24.95 -10 5 4 2.80 8.60 10 5 -4 13.91 9.61 -10 -5 3 10.21 11.73 10 -5 -3 -12.42 19.86 -10 5 3 5.04 6.97 10 5 -3 9.85 9.54 10 -5 -2 419.05 66.14 10 5 -2 364.46 35.99 -10 5 2 382.24 34.92 10 -5 -1 32.23 17.96 -10 5 1 72.59 11.82 -10 5 1 72.38 15.88 10 5 -1 75.86 16.61 10 5 0 1255.21 61.40 10 -5 0 1218.02 116.85 -10 5 0 1223.78 51.49 -10 5 0 1196.66 56.40 10 5 0 1286.41 59.07 -10 5 -1 232.91 24.76 10 -5 1 198.04 49.50 -10 5 -1 206.84 22.51 10 5 1 219.68 23.07 10 5 2 2245.68 164.79 10 -5 2 2637.03 173.44 10 5 2 2576.43 69.16 -10 5 -2 2498.40 85.83 -10 5 -3 10.79 7.76 10 5 3 -2.68 28.26 10 -5 3 26.63 29.01 10 5 3 10.13 4.49 -10 5 -4 2063.98 69.50 10 5 4 2183.41 175.95 10 -5 4 2168.40 162.47 -10 5 -4 2158.21 90.27 -10 5 -5 25.93 7.50 10 -5 5 6.48 21.47 -10 5 -5 27.75 14.37 10 5 5 59.28 36.51 10 5 6 2481.36 193.43 -10 5 -6 2491.25 107.06 10 -5 6 2611.13 185.92 -10 5 -6 2282.44 61.26 10 5 7 58.88 25.65 -10 5 -7 118.02 26.82 10 -5 7 140.98 47.55 -10 5 -7 99.26 12.55 -10 5 -8 2110.34 108.08 10 5 8 2156.09 181.98 10 -5 8 2107.50 175.45 -10 5 -9 31.82 18.31 10 -5 9 32.25 39.90 10 5 9 -23.92 31.13 -10 5 -10 1726.82 105.25 10 -5 10 1714.80 166.36 10 5 10 1539.10 151.19 10 5 11 56.87 40.41 -10 5 -11 -0.36 13.65 10 -5 11 27.52 28.01 -10 5 -12 1102.75 90.59 10 -5 12 1083.77 137.41 10 -5 13 27.12 32.76 -10 5 -13 -3.54 16.43 -10 5 -14 727.36 78.69 10 -5 14 697.34 113.64 -10 5 -15 40.69 24.61 10 -5 15 55.98 39.43 -10 5 -16 523.76 71.18 10 -5 16 506.48 103.92 -10 5 -17 -26.66 22.65 -10 5 -18 173.08 45.28 -10 5 -19 -8.21 21.17 10 6 -28 127.04 39.93 10 6 -27 41.05 22.52 10 6 -27 112.67 44.95 10 6 -26 151.66 43.55 10 6 -26 200.34 56.42 10 6 -25 3.86 16.38 10 6 -25 27.50 25.25 10 6 -24 251.79 49.71 10 6 -24 370.56 70.58 10 6 -23 131.46 34.85 10 6 -23 109.83 38.38 10 6 -22 603.79 71.73 10 6 -22 670.77 87.65 10 6 -21 124.59 34.09 10 6 -21 121.24 38.71 10 6 -20 847.14 78.81 10 6 -20 828.70 94.28 10 6 -19 96.44 26.70 10 6 -19 83.28 34.14 10 6 -18 915.31 95.56 10 6 -17 166.04 40.12 10 6 -16 1109.83 100.36 10 6 -15 263.44 40.73 10 6 -15 285.73 49.96 10 -6 -14 1344.78 148.64 10 6 -14 1187.23 97.48 10 6 -14 1208.80 84.57 10 6 -13 9.31 13.56 10 6 -13 -14.00 16.72 10 -6 -13 35.57 29.24 10 6 -12 518.69 57.98 -10 6 12 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26.83 10 7 -28 89.26 34.05 10 7 -27 67.34 30.47 10 7 -27 122.52 45.81 10 7 -26 291.43 63.36 10 7 -26 271.97 56.09 10 7 -25 52.31 30.87 10 7 -25 39.73 23.24 10 7 -24 219.33 47.59 10 7 -24 326.49 68.78 10 7 -23 132.58 37.17 10 7 -23 131.41 43.11 10 7 -22 214.54 43.77 10 7 -22 261.04 56.42 10 7 -21 403.49 59.09 10 7 -21 423.63 71.92 10 7 -20 322.69 59.75 10 7 -19 273.12 55.68 10 7 -18 475.46 71.51 10 7 -17 266.82 52.39 10 7 -16 533.61 69.07 10 7 -15 345.44 42.85 10 7 -15 345.09 56.87 10 7 -14 1111.86 97.22 10 7 -14 1189.39 79.96 10 7 -13 74.04 22.60 10 -7 -13 139.71 51.55 10 7 -13 108.31 30.02 10 7 -12 1448.80 93.81 -10 7 12 1475.64 70.69 10 -7 -12 1549.38 152.91 10 7 -12 1602.58 111.42 -10 7 11 123.10 19.38 10 -7 -11 107.67 42.27 10 7 -11 168.51 34.66 10 7 -11 130.82 31.71 -10 7 10 1087.04 52.48 10 7 -10 1044.07 85.63 10 -7 -10 1057.34 121.27 10 7 -10 1085.83 86.82 -10 7 9 312.53 26.32 10 7 -9 324.66 52.32 10 7 -9 341.47 49.35 10 -7 -9 298.41 63.49 -10 7 8 574.26 32.37 10 7 -8 596.12 69.23 10 -7 -8 696.17 94.04 10 7 -8 602.12 61.84 10 7 -7 -6.95 15.01 10 7 -7 -6.58 12.32 10 -7 -7 3.10 22.21 10 -7 -6 199.60 50.12 10 7 -6 151.59 29.87 10 -7 -5 18.32 20.74 10 7 -5 32.21 16.98 10 -7 -4 10.12 18.29 10 7 -4 -8.05 12.25 10 -7 -3 139.62 43.54 10 7 -3 83.20 21.81 10 -7 -2 599.16 82.87 10 7 -2 541.14 49.35 10 -7 -1 658.26 86.62 -10 7 1 583.82 40.22 10 7 -1 612.90 50.11 10 -7 0 1247.31 120.70 10 7 0 1281.41 69.99 10 -7 1 1141.46 116.41 10 7 1 1248.68 134.02 10 7 1 1097.25 62.72 10 7 2 1502.14 150.60 10 -7 2 1520.99 134.56 10 7 2 1498.05 70.71 10 -7 3 497.36 77.88 10 7 3 487.22 89.60 10 7 3 498.09 39.21 10 7 4 1645.44 171.66 10 -7 4 1460.46 136.22 -10 7 -4 1624.17 84.69 10 7 4 1556.34 66.22 10 7 5 509.77 36.33 10 7 5 490.38 90.13 -10 7 -5 469.91 42.46 10 -7 5 556.14 84.20 -10 7 -5 503.16 48.89 -10 7 -6 2019.63 82.50 10 7 6 1921.35 66.97 10 -7 6 1969.31 161.60 10 7 6 1902.92 182.82 -10 7 -6 1931.26 99.06 10 -7 7 894.73 112.32 10 7 7 827.41 120.70 -10 7 -7 839.54 69.01 -10 7 -7 827.89 51.55 10 -7 8 1632.02 154.87 10 7 8 1527.58 163.71 -10 7 -8 1563.09 96.84 10 -7 9 973.78 120.21 -10 7 -9 922.26 76.95 10 7 9 876.20 122.51 10 -7 10 955.15 120.85 -10 7 -10 963.86 80.85 10 7 10 962.70 129.24 10 -7 11 865.41 117.87 -10 7 -11 795.53 77.69 10 7 11 788.80 115.07 10 -7 12 758.48 111.87 -10 7 -12 777.49 77.70 10 7 12 702.18 110.31 -10 7 -13 428.68 61.73 10 -7 13 420.95 86.54 -10 7 -14 581.94 71.50 10 -7 14 536.55 99.07 -10 7 -15 386.41 60.66 10 -7 15 404.65 86.92 -10 7 -16 261.26 53.56 -10 7 -17 178.36 47.67 -10 7 -18 87.80 33.78 -10 7 -19 35.44 24.51 10 8 -28 32.04 24.06 10 8 -27 70.50 31.81 10 8 -27 77.33 41.94 10 8 -26 79.75 33.29 10 8 -26 147.41 50.82 10 8 -25 125.11 38.43 10 8 -25 130.90 47.70 10 8 -24 228.37 60.02 10 8 -24 201.21 45.03 10 8 -23 458.00 67.01 10 8 -23 382.63 69.69 10 8 -22 87.83 27.92 10 8 -22 72.35 34.35 10 8 -21 560.09 81.40 10 8 -20 323.81 63.89 10 8 -19 351.79 63.82 10 8 -18 636.77 81.55 10 8 -17 665.86 83.87 10 8 -16 334.25 58.43 10 8 -15 1209.63 74.02 10 8 -15 1165.92 103.31 10 8 -14 42.50 17.19 10 8 -14 15.78 17.01 10 8 -13 984.23 73.48 10 -8 -13 1049.07 136.41 10 8 -13 953.79 90.66 10 8 -12 160.61 31.42 10 -8 -12 207.55 63.75 10 8 -12 177.21 39.07 -10 8 11 515.60 40.45 10 8 -11 550.71 60.79 10 -8 -11 547.01 91.85 10 8 -11 530.94 65.76 -10 8 10 77.99 15.32 10 -8 -10 61.06 34.49 10 8 -10 105.75 30.43 10 8 -10 66.58 24.40 -10 8 9 405.85 31.60 10 8 -9 396.47 55.72 10 -8 -9 399.24 75.70 10 8 -9 411.01 54.64 10 8 -8 203.48 41.45 -10 8 8 207.54 22.59 10 -8 -8 198.70 49.29 10 8 -8 222.45 39.41 10 -8 -7 593.43 85.62 10 8 -7 585.40 60.84 10 -8 -6 904.08 105.53 10 8 -6 838.67 72.48 10 -8 -5 233.35 54.84 10 8 -5 263.84 38.52 10 -8 -4 159.30 48.12 10 8 -4 156.16 31.14 10 8 -3 1.35 8.83 10 -8 -3 10.70 18.68 10 8 -2 45.33 14.49 10 -8 -2 63.00 34.69 -10 8 1 124.87 22.54 10 8 -1 137.73 26.81 10 -8 -1 131.99 43.38 10 8 0 189.39 30.07 10 -8 0 230.31 55.49 10 8 1 107.23 21.87 10 -8 1 73.88 32.80 10 8 1 164.42 61.06 10 8 2 220.73 30.30 10 -8 2 254.42 57.16 10 8 2 255.08 70.17 10 8 3 99.59 21.17 10 -8 3 76.84 34.29 10 8 3 104.64 43.85 10 8 4 222.94 67.29 10 8 4 160.42 24.65 10 -8 4 188.85 52.81 10 8 5 67.27 39.60 10 8 5 39.28 14.22 -10 8 -5 40.24 15.27 10 -8 5 7.00 20.99 -10 8 -6 391.59 41.22 10 8 6 420.10 39.07 10 8 6 319.58 75.08 10 -8 6 431.41 75.48 -10 8 -6 370.30 44.91 -10 8 -7 54.99 16.71 10 -8 7 53.31 27.61 -10 8 -7 37.52 13.61 10 -8 8 206.80 54.12 10 8 8 282.52 73.83 -10 8 -8 264.67 40.51 10 8 9 -23.82 43.03 10 -8 9 -6.32 27.19 -10 8 -9 20.34 13.85 10 -8 10 86.79 32.57 -10 8 -10 152.44 33.46 10 8 10 164.06 58.52 10 8 11 -25.44 36.88 10 -8 11 23.87 26.85 -10 8 -11 -16.38 15.00 10 8 12 -11.70 28.05 10 -8 12 -8.42 24.87 -10 8 -12 9.36 15.51 -10 8 -13 35.62 22.60 10 -8 13 42.53 38.27 -10 8 -14 -1.86 12.88 10 -8 14 36.55 33.40 -10 8 -15 20.08 20.40 -10 8 -16 74.34 30.92 -10 8 -17 20.08 25.18 -10 8 -18 112.09 39.15 10 9 -27 36.31 23.66 10 9 -26 -36.72 28.75 10 9 -26 -1.96 23.87 10 9 -25 125.90 36.18 10 9 -25 162.81 52.65 10 9 -24 15.19 17.47 10 9 -24 -7.04 21.05 10 9 -23 238.70 59.74 10 9 -23 249.34 47.30 10 9 -22 13.90 22.53 10 9 -21 585.30 85.65 10 9 -20 -48.21 32.95 10 9 -19 912.59 102.46 10 9 -18 35.44 24.13 10 9 -17 841.05 94.47 10 9 -16 210.14 47.60 10 9 -15 588.28 48.62 10 9 -15 685.54 82.75 10 9 -14 548.94 50.05 10 9 -14 557.01 73.21 10 9 -13 901.86 69.34 10 9 -13 837.33 87.63 10 9 -12 844.35 70.46 10 -9 -12 695.07 112.24 10 9 -12 803.84 83.16 10 9 -11 338.57 48.57 10 -9 -11 381.35 80.66 10 9 -11 336.12 52.89 10 9 -10 550.00 63.92 -10 9 10 606.43 42.78 10 -9 -10 620.82 101.97 10 9 -10 736.34 76.36 10 9 -9 34.80 20.70 -10 9 9 15.30 7.70 10 -9 -9 24.74 31.46 10 9 -9 30.86 20.87 10 -9 -8 770.39 105.16 10 9 -8 831.95 77.92 10 -9 -7 82.96 32.07 10 9 -7 108.57 28.58 10 -9 -6 719.17 100.54 10 9 -6 590.60 62.68 10 9 -5 8.73 11.94 10 -9 -5 24.60 22.71 10 -9 -4 96.44 38.47 10 9 -4 93.98 24.72 10 9 -3 96.90 26.01 10 -9 -3 134.09 45.45 10 9 -2 7.19 10.39 10 -9 -2 13.75 18.66 -10 9 2 48.59 19.67 10 -9 -1 370.07 70.05 -10 9 1 355.23 43.22 10 9 -1 346.89 43.90 10 9 0 1.89 8.68 10 -9 0 -22.73 18.36 10 9 0 -21.40 37.89 -10 9 0 -3.48 7.80 10 -9 1 694.38 93.48 10 9 1 788.89 63.57 10 9 1 679.56 111.50 10 9 2 -10.28 11.98 10 -9 2 -20.71 26.43 10 9 2 27.64 28.18 10 9 3 1098.72 72.37 10 -9 3 1093.32 118.78 10 9 3 1038.82 139.75 10 9 4 191.69 30.93 10 -9 4 168.94 48.99 10 9 4 295.45 89.05 10 9 5 1559.32 85.58 10 -9 5 1601.42 145.60 -10 9 -5 1527.65 90.83 10 9 5 1616.59 180.25 -10 9 -6 275.94 38.69 10 9 6 241.56 34.25 10 9 6 120.24 41.63 10 -9 6 214.51 56.35 -10 9 -7 1495.18 84.82 10 -9 7 1572.10 147.08 10 9 7 1524.54 169.16 -10 9 -7 1549.49 97.20 -10 9 -8 21.05 13.77 10 -9 8 -18.20 24.87 10 9 8 -25.03 48.72 -10 9 -8 17.32 12.06 10 -9 9 1282.13 136.65 10 9 9 1344.95 162.57 -10 9 -9 1341.77 97.15 10 -9 10 27.44 21.52 -10 9 -10 20.33 14.99 10 9 10 -34.12 47.63 10 -9 11 1188.81 134.59 -10 9 -11 1181.10 97.09 10 9 11 1081.11 143.12 10 9 12 162.81 57.84 10 -9 12 246.09 63.24 -10 9 -12 174.38 38.53 10 -9 13 836.44 118.64 -10 9 -13 934.50 91.61 10 9 13 870.07 131.72 10 -9 14 23.77 24.04 -10 9 -14 77.22 31.14 -10 9 -15 376.69 65.18 -10 9 -16 -14.91 17.87 -10 9 -17 206.81 51.84 -10 9 -18 29.61 28.45 10 10 -27 24.36 21.45 10 10 -26 28.91 26.26 10 10 -26 -10.34 27.65 10 10 -25 290.42 57.18 10 10 -25 187.92 53.91 10 10 -24 -15.52 32.43 10 10 -24 1.24 16.13 10 10 -23 276.02 62.69 10 10 -22 -10.44 20.53 10 10 -21 183.91 51.14 10 10 -20 20.41 24.09 10 10 -19 577.48 85.03 10 10 -18 16.64 18.56 10 10 -17 754.90 91.76 10 10 -16 62.71 29.16 10 10 -15 390.66 64.67 10 10 -14 256.38 51.88 10 10 -14 245.53 33.27 10 10 -13 506.14 51.74 10 10 -13 478.39 67.73 10 10 -12 341.01 44.47 10 10 -12 271.37 49.42 10 10 -11 977.23 82.46 10 -10 -11 1107.04 137.27 10 10 -11 917.32 88.90 10 10 -10 564.34 65.20 10 -10 -10 580.95 97.91 10 10 -10 620.21 72.40 10 -10 -9 194.76 60.22 10 10 -9 209.87 44.56 10 -10 -8 1413.64 148.70 10 10 -8 1373.74 103.10 10 -10 -7 25.61 33.64 10 10 -7 1.86 15.39 10 -10 -6 1223.09 132.63 10 10 -6 1667.11 109.13 10 10 -5 -2.46 15.85 10 -10 -5 -4.62 23.34 10 -10 -4 1756.27 152.85 10 10 -4 1970.98 115.07 10 -10 -3 16.27 20.56 10 10 -3 50.01 19.83 -10 10 2 1873.04 101.13 10 -10 -2 1634.63 145.61 10 10 -2 1711.96 104.21 10 10 -1 481.94 55.46 10 -10 -1 529.52 83.36 -10 10 1 416.31 49.74 10 10 0 1257.85 86.57 10 10 0 1383.99 159.02 -10 10 0 1252.38 78.81 10 -10 0 1229.20 125.85 10 10 1 570.56 57.24 10 10 1 531.29 101.70 10 -10 1 571.76 86.47 10 10 2 840.24 69.49 10 10 2 856.13 131.28 10 -10 2 851.48 104.02 10 10 3 72.93 21.38 10 -10 3 69.72 39.35 10 10 3 15.30 30.52 10 10 4 373.72 46.09 10 -10 4 338.29 68.46 10 10 4 323.21 87.35 10 10 5 64.17 21.21 -10 10 -5 56.51 21.59 10 -10 5 75.40 38.97 10 10 5 156.29 67.20 10 10 6 33.71 54.73 -10 10 -6 136.39 29.86 10 10 6 137.37 30.09 10 -10 6 114.03 41.15 -10 10 -7 110.34 27.48 10 -10 7 86.52 39.14 -10 10 -8 29.68 16.14 10 -10 8 -14.05 26.81 10 10 8 -32.07 50.11 10 -10 9 19.31 23.04 10 10 9 7.24 36.96 -10 10 -9 13.60 17.46 10 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39.34 47.64 10 -18 4 7.76 36.21 10 18 5 36.20 45.50 10 -18 5 108.85 52.43 -10 18 -6 38.15 30.12 10 18 6 -19.03 38.31 10 -18 6 57.71 44.70 -10 18 -7 11.37 22.62 10 -18 7 33.62 26.83 10 18 7 -10.76 36.13 10 -18 8 -34.43 32.97 10 18 8 86.97 62.50 10 18 9 7.59 63.67 10 18 10 -65.24 61.93 10 18 11 -74.58 59.28 10 18 12 -38.38 56.03 10 18 13 -57.01 69.61 10 18 14 -46.51 56.80 10 19 -20 51.74 38.92 10 19 -19 222.84 64.26 10 19 -18 87.47 46.56 10 19 -17 432.96 87.07 10 19 -16 -0.05 23.97 10 19 -15 287.11 68.71 10 19 -14 9.78 22.30 10 19 -13 236.04 63.31 10 19 -12 -4.38 28.54 10 19 -11 304.68 67.33 10 19 -10 6.13 26.73 -10 19 10 244.15 66.06 10 19 -9 211.42 55.90 -10 19 9 338.84 75.83 10 19 -8 21.16 24.98 -10 19 8 147.09 55.76 10 19 -7 -20.63 31.58 -10 19 7 159.81 59.41 10 19 -6 -8.91 23.32 -10 19 6 69.13 43.33 10 19 -5 -34.11 31.10 -10 19 5 -22.63 27.36 10 19 -4 7.16 24.14 -10 19 4 -56.15 52.65 10 -19 -3 -15.40 28.84 10 19 -3 31.39 30.95 10 19 -2 70.81 37.12 10 -19 -2 119.32 58.76 -10 19 2 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41.29 30.78 11 11 -15 1151.90 112.42 11 11 -14 31.03 15.36 11 11 -14 -0.94 15.07 11 11 -13 698.06 67.53 11 11 -13 608.57 77.61 11 11 -12 47.36 22.49 11 -11 -12 49.50 45.39 11 11 -12 28.55 24.95 11 11 -11 592.28 71.11 11 -11 -11 661.43 115.97 11 11 -11 595.74 75.40 11 11 -10 -13.07 16.20 11 -11 -10 22.51 31.77 11 11 -10 43.45 29.29 11 -11 -9 215.26 61.56 11 11 -9 295.08 51.72 11 -11 -8 22.86 28.29 11 11 -8 64.61 26.71 11 -11 -7 88.13 41.69 11 11 -7 93.46 28.07 11 11 -6 0.76 13.50 11 -11 -6 -3.34 26.95 11 11 -5 203.83 40.38 11 -11 -5 229.22 68.43 11 11 -4 4.62 12.53 11 -11 -4 -41.42 33.46 11 11 -3 12.15 13.28 -11 11 3 53.99 25.77 11 -11 -2 268.34 64.69 11 11 -2 203.11 38.98 -11 11 2 205.43 38.41 11 -11 -1 74.50 39.89 11 11 -1 53.37 17.52 -11 11 1 31.44 17.15 11 11 0 350.82 48.91 11 -11 0 389.31 77.13 11 11 1 528.36 59.13 11 -11 1 563.05 91.76 11 11 1 633.39 118.08 11 11 2 397.44 50.57 11 -11 2 324.45 70.94 11 11 2 451.88 102.05 11 11 3 900.14 75.64 11 11 3 849.43 141.91 11 -11 3 952.07 120.30 11 11 4 615.16 61.84 11 -11 4 539.83 91.02 11 11 4 496.85 110.49 11 -11 5 694.37 102.73 -11 11 -5 692.64 67.97 11 11 5 633.53 126.03 11 -11 6 572.27 94.78 -11 11 -6 529.75 60.20 11 11 6 602.58 126.06 11 11 7 418.54 103.71 11 -11 7 504.74 87.58 -11 11 -8 69.24 24.60 11 -11 8 120.22 49.79 11 11 9 387.55 94.54 11 -11 9 387.10 81.17 -11 11 -9 493.76 61.46 11 -11 10 19.23 29.33 -11 11 -10 2.10 13.96 11 -11 11 501.41 93.34 11 11 11 457.13 107.51 -11 11 -11 529.17 68.27 11 -11 12 38.60 41.64 -11 11 -12 -4.46 15.78 -11 11 -13 213.80 47.23 -11 11 -14 -3.34 14.69 -11 11 -15 106.29 37.54 -11 11 -16 57.77 29.11 -11 11 -17 123.15 43.64 11 12 -26 7.22 19.45 11 12 -25 15.78 19.74 11 12 -25 -8.53 29.89 11 12 -24 28.41 32.86 11 12 -23 -14.54 20.84 11 12 -22 -31.26 26.42 11 12 -21 -21.80 33.15 11 12 -20 -41.35 35.08 11 12 -19 17.11 23.05 11 12 -18 31.69 29.77 11 12 -17 20.92 26.29 11 12 -16 176.25 49.59 11 12 -15 12.77 22.34 11 12 -14 105.76 38.94 11 12 -13 56.26 24.58 11 12 -13 77.45 30.13 11 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67.81 11 12 5 301.40 92.29 11 -12 6 94.25 46.77 -11 12 -6 31.90 18.62 11 12 6 35.10 43.67 11 -12 7 291.95 70.54 11 12 7 251.30 84.72 11 12 8 31.58 43.92 11 -12 8 113.64 44.73 11 12 9 322.09 82.88 11 -12 9 337.19 75.36 -11 12 -9 339.86 54.72 -11 12 -10 268.33 48.66 11 -12 10 238.69 64.28 11 12 10 170.63 55.18 11 -12 11 185.96 60.82 11 12 11 90.43 49.89 -11 12 -11 186.37 44.32 11 -12 12 287.68 72.46 11 12 12 89.37 42.96 -11 12 -12 248.38 50.63 -11 12 -13 66.55 28.63 -11 12 -14 222.18 50.49 -11 12 -15 75.58 30.78 -11 12 -16 99.81 39.35 -11 12 -17 37.75 23.09 11 13 -26 209.01 54.07 11 13 -24 360.70 77.80 11 13 -23 310.62 70.65 11 13 -22 472.00 85.20 11 13 -21 361.22 74.57 11 13 -20 867.44 111.68 11 13 -19 296.63 66.95 11 13 -18 969.90 114.09 11 13 -17 419.50 73.12 11 13 -16 898.67 105.83 11 13 -15 423.23 71.18 11 13 -14 907.56 102.04 11 13 -13 148.11 33.26 11 13 -13 135.38 41.37 11 13 -12 877.21 84.36 11 13 -12 888.36 98.68 11 13 -11 159.30 38.49 11 -13 -11 166.65 69.45 11 13 -11 176.91 44.34 11 -13 -10 351.26 95.23 11 13 -10 275.75 53.92 11 -13 -9 492.35 102.42 11 13 -9 349.44 59.07 11 13 -8 35.20 24.14 11 -13 -8 -24.43 29.47 11 13 -7 83.34 30.09 11 -13 -7 35.12 32.37 11 13 -6 9.99 17.25 11 -13 -6 52.84 42.65 11 13 -5 30.44 19.10 11 -13 -5 -18.80 38.32 11 13 -4 30.88 21.40 -11 13 4 50.75 29.87 11 -13 -4 -8.50 26.41 11 13 -3 -3.94 14.42 -11 13 3 22.29 23.35 11 -13 -3 1.91 26.84 11 13 -2 100.29 31.37 -11 13 2 32.81 25.42 11 -13 -2 161.41 53.78 11 13 -1 85.43 29.45 -11 13 1 92.83 34.91 11 -13 -1 64.19 41.84 11 13 0 317.59 51.85 11 13 0 347.40 92.86 11 -13 0 343.07 75.23 11 -13 1 351.91 78.99 11 13 1 289.31 50.03 11 13 1 195.52 64.77 11 13 2 647.14 73.32 11 13 2 496.41 110.67 11 -13 2 589.65 98.89 11 -13 3 420.17 85.32 11 13 3 409.14 59.10 11 13 3 471.83 112.37 11 13 4 867.71 83.94 11 13 4 754.74 143.34 11 -13 4 941.77 123.30 11 -13 5 84.53 43.05 11 13 5 73.22 42.64 -11 13 -6 594.19 71.56 11 13 6 693.16 136.16 11 -13 6 665.21 104.86 11 -13 7 336.54 75.38 11 13 7 340.28 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33.59 12 -9 6 -13.60 30.37 -12 9 -6 -7.08 13.63 12 9 6 11.02 28.97 12 -9 7 38.06 37.96 -12 9 -7 -5.09 15.22 12 9 7 10.77 32.87 12 -9 8 59.06 40.78 -12 9 -8 95.25 26.53 12 9 8 63.54 54.49 12 9 9 13.46 44.59 12 -9 9 29.40 35.80 -12 9 -9 5.31 11.76 12 -9 10 20.56 25.29 -12 9 -10 13.91 18.45 12 -9 11 -19.76 29.62 -12 9 -11 11.63 13.44 12 -9 12 10.88 23.87 -12 9 -12 33.14 22.94 12 -9 13 1.01 25.89 -12 9 -13 27.82 22.27 -12 9 -14 77.83 32.33 -12 9 -15 25.34 23.46 -12 9 -16 44.27 31.16 -12 9 -17 24.94 27.27 12 10 -27 60.04 34.02 12 10 -26 44.31 27.27 12 10 -25 92.23 32.13 12 10 -25 116.53 46.62 12 10 -24 93.21 33.80 12 10 -24 148.43 53.28 12 10 -23 234.02 59.31 12 10 -22 84.64 40.90 12 10 -21 594.75 92.26 12 10 -20 -10.37 27.69 12 10 -19 941.88 108.49 12 10 -18 3.11 21.42 12 10 -17 684.15 88.66 12 10 -16 40.56 28.41 12 10 -15 722.36 88.50 12 10 -14 32.43 18.81 12 -10 -14 24.97 39.24 12 10 -14 -20.46 20.89 12 10 -13 544.18 66.36 12 -10 -13 500.90 103.45 12 10 -13 548.11 75.66 12 10 -12 371.56 56.50 12 -10 -12 416.21 90.59 12 10 -12 338.29 56.72 12 -10 -11 189.59 66.80 12 10 -11 242.55 49.83 12 10 -11 331.86 57.11 12 -10 -10 338.47 79.56 12 10 -10 353.62 57.42 12 10 -10 376.16 61.56 12 10 -9 100.21 37.67 -12 10 9 76.62 14.78 12 -10 -9 86.67 47.64 12 10 -9 113.86 32.84 12 -10 -8 94.55 41.31 12 10 -8 132.02 35.03 12 -10 -7 63.70 43.83 12 10 -7 0.85 15.46 12 10 -6 200.46 39.43 12 -10 -6 191.97 55.22 12 10 -5 46.48 20.52 12 -10 -5 15.52 21.72 12 -10 -4 292.64 68.36 12 10 -4 212.43 39.52 12 -10 -3 138.10 51.88 -12 10 3 167.57 33.03 12 10 -3 140.55 30.83 12 -10 -2 76.92 33.58 -12 10 2 88.62 21.00 12 10 -2 76.31 24.77 12 10 -1 232.59 36.95 12 -10 -1 261.84 66.43 -12 10 1 208.60 27.75 12 10 0 18.67 14.45 12 -10 0 49.61 42.76 12 -10 1 762.44 110.58 12 10 1 820.16 67.41 12 10 2 14.26 12.40 12 -10 2 -12.97 22.47 12 10 2 9.41 28.65 12 -10 3 1028.01 127.24 12 10 3 925.43 142.47 12 -10 4 -18.55 31.89 12 10 4 -22.10 42.97 12 -10 5 1065.95 131.78 12 10 5 1144.65 163.50 -12 10 -5 939.66 74.80 12 -10 6 76.22 45.13 -12 10 -6 2.53 11.64 12 10 6 39.99 44.11 12 -10 7 825.19 116.87 -12 10 -7 652.05 66.71 12 10 7 738.52 136.25 12 -10 8 4.82 27.11 -12 10 -8 -10.69 16.17 12 10 8 6.73 42.21 12 10 9 786.47 141.90 12 -10 9 703.96 109.27 -12 10 -9 727.94 75.65 12 -10 10 -6.74 33.00 -12 10 -10 -4.73 12.74 12 -10 11 548.65 101.63 -12 10 -11 547.78 69.28 12 -10 12 -19.44 34.08 -12 10 -12 -0.46 17.60 12 -10 13 243.53 72.95 -12 10 -13 264.50 51.15 -12 10 -14 1.83 16.19 -12 10 -15 145.58 41.90 -12 10 -16 21.80 26.05 -12 10 -17 102.77 40.41 12 11 -27 80.66 33.69 12 11 -26 19.01 21.52 12 11 -25 45.44 25.20 12 11 -25 41.68 35.18 12 11 -24 4.71 26.16 12 11 -23 15.86 20.42 12 11 -22 -29.57 34.22 12 11 -21 87.50 36.41 12 11 -20 98.02 39.87 12 11 -19 180.12 50.75 12 11 -18 290.25 61.50 12 11 -17 59.67 35.08 12 11 -16 308.87 59.43 12 11 -15 36.94 22.80 12 11 -14 486.07 58.72 12 11 -14 496.21 72.58 12 11 -13 67.18 24.39 12 -11 -13 50.77 46.80 12 11 -13 92.80 36.49 12 11 -12 801.56 84.45 12 -11 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154.18 50.64 13 17 -11 180.46 51.59 13 -17 -10 130.67 71.47 13 17 -10 127.27 43.39 13 -17 -9 222.79 84.08 13 17 -9 145.18 42.54 13 17 -8 104.78 38.70 13 -17 -8 56.46 30.04 13 17 -7 246.31 59.14 -13 17 7 348.89 68.86 13 -17 -7 346.46 97.18 13 17 -6 24.73 23.48 13 -17 -6 35.11 41.97 13 -17 -5 553.56 114.45 13 17 -5 501.25 80.17 13 17 -4 117.42 40.08 13 -17 -4 148.93 66.60 13 17 -3 432.96 71.94 13 -17 -3 599.99 123.73 13 17 -2 95.19 40.57 13 -17 -2 92.18 53.02 13 17 -1 402.96 69.44 13 -17 -1 347.20 96.55 13 17 0 15.86 24.11 13 -17 0 -32.55 48.32 13 -17 1 203.44 73.99 13 17 2 -25.28 58.30 13 -17 2 -14.89 31.18 13 17 3 289.19 110.80 13 -17 3 299.68 85.96 13 17 4 88.60 65.20 13 -17 4 72.01 54.25 13 17 5 192.19 87.00 13 -17 5 220.89 78.46 13 17 6 81.89 61.30 13 -17 6 139.31 64.78 13 17 7 28.14 48.98 13 -17 7 85.75 47.59 13 17 8 67.11 44.60 13 -17 8 132.92 58.81 13 17 9 -6.32 38.56 13 18 -19 137.25 54.58 13 18 -18 -12.26 28.14 13 18 -17 243.48 65.48 13 18 -16 23.07 28.78 13 18 -15 237.33 61.96 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14 -4 -10 283.96 68.61 14 4 -10 248.25 56.23 14 4 -10 246.22 41.67 14 4 -9 1160.15 120.39 14 4 -9 1174.26 86.22 14 -4 -9 1187.51 127.98 14 -4 -8 92.36 38.82 14 4 -8 111.49 41.53 14 4 -8 102.39 25.81 14 -4 -7 1132.00 126.65 14 4 -7 1210.84 127.08 14 4 -7 1149.91 79.05 14 -4 -6 50.91 31.65 14 4 -6 48.78 18.97 14 4 -6 62.72 36.66 14 -4 -5 1491.66 145.77 14 4 -5 1524.15 54.48 14 4 -5 1550.16 149.63 14 4 -5 1669.85 87.29 -14 -4 4 171.22 30.72 14 4 -4 183.63 20.64 14 -4 -4 137.13 46.84 14 4 -4 207.47 29.57 14 4 -4 104.90 39.35 14 -4 -3 1003.35 120.01 14 4 -3 1027.86 60.39 14 4 -3 1074.73 129.32 -14 4 3 970.81 63.21 14 -4 -2 54.24 30.31 14 4 -2 98.37 17.60 14 4 -2 28.55 29.51 14 4 -1 115.37 46.28 14 -4 -1 163.59 52.18 14 4 -1 192.36 21.36 14 4 0 11.01 22.33 14 -4 0 12.66 26.45 14 4 1 193.49 61.71 14 -4 1 177.56 55.58 14 4 2 41.34 47.48 -14 4 -2 4.91 9.15 14 -4 2 -15.95 32.06 14 4 3 221.85 70.73 -14 4 -3 210.31 28.03 14 -4 3 236.39 70.06 14 4 4 26.23 28.04 -14 4 -4 -0.89 9.25 14 -4 4 16.84 38.91 -14 4 -5 44.30 14.60 14 -4 5 80.56 46.59 -14 4 -6 59.72 20.08 14 -4 6 34.61 29.81 -14 4 -7 32.58 17.21 14 -4 7 16.73 36.38 -14 4 -8 173.55 34.37 14 -4 8 193.36 65.56 -14 4 -9 4.58 12.17 14 -4 9 -0.02 24.90 -14 4 -10 145.57 35.17 14 -4 10 132.16 60.56 -14 4 -11 29.13 20.41 14 -4 11 28.75 31.42 -14 4 -12 89.07 30.55 14 -4 12 58.05 53.21 14 4 13 11.58 45.69 -14 4 -13 70.66 28.14 14 4 14 42.25 51.42 14 -4 14 122.29 62.99 14 -4 15 22.00 35.96 14 5 -26 443.81 64.62 14 5 -26 495.45 85.60 14 5 -25 -4.18 15.79 14 5 -25 30.18 30.65 14 5 -24 504.78 65.29 14 5 -24 600.38 90.65 14 5 -23 8.28 16.33 14 5 -23 -17.08 20.22 14 5 -22 679.89 69.72 14 5 -22 729.44 94.24 14 5 -21 30.60 18.16 14 5 -21 15.78 26.56 14 5 -20 1026.44 79.87 14 5 -20 1119.76 111.73 14 5 -19 -10.97 11.47 14 5 -19 41.49 29.87 14 5 -18 1330.31 85.02 14 -5 -18 1418.82 169.70 14 5 -18 1350.58 122.72 14 5 -18 1380.91 118.63 14 5 -17 -14.69 13.54 14 -5 -17 14.22 28.15 14 5 -17 1.21 16.38 14 5 -17 -19.22 23.08 14 -5 -16 1201.01 149.35 14 5 -16 1189.23 106.75 14 5 -16 1120.47 108.59 14 5 -15 27.37 25.83 14 5 -15 -9.13 22.23 14 -5 -15 57.24 46.31 14 5 -14 781.78 92.53 14 -5 -14 712.47 110.58 14 5 -14 763.81 81.05 14 5 -13 3.93 21.40 14 5 -13 17.47 18.75 14 -5 -13 72.37 45.59 14 5 -12 676.92 85.66 14 5 -12 694.52 74.62 14 -5 -12 675.42 102.93 14 -5 -11 244.17 64.10 14 5 -11 261.42 53.57 14 5 -11 267.98 46.08 14 -5 -10 185.63 54.16 14 5 -10 141.53 42.87 14 5 -10 82.47 24.26 14 -5 -9 127.95 53.07 14 5 -9 89.56 36.99 14 5 -9 56.30 20.80 14 -5 -8 6.76 28.01 14 5 -8 2.22 21.14 14 5 -8 6.53 12.31 14 -5 -7 59.65 32.63 14 5 -7 13.09 12.53 14 5 -7 27.94 25.19 14 -5 -6 2.45 28.78 14 5 -6 4.08 14.23 14 5 -6 -23.80 30.48 14 -5 -5 85.88 42.01 14 5 -5 38.49 16.76 14 5 -5 8.26 27.93 14 -5 -4 101.71 40.07 14 5 -4 116.70 23.83 14 5 -4 94.80 38.56 14 5 -3 38.05 36.10 14 -5 -3 3.01 20.65 14 5 -3 8.73 7.06 14 -5 -2 831.08 112.78 14 5 -2 718.27 49.53 14 5 -2 718.92 106.83 14 5 -1 82.44 43.31 14 -5 -1 47.92 28.67 14 5 -1 70.43 14.72 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18.74 20.36 14 -6 -18 232.31 78.60 14 6 -18 227.91 49.88 14 -6 -17 70.62 55.56 14 6 -17 23.28 23.68 14 6 -17 -5.69 17.06 14 6 -16 124.52 41.13 14 -6 -16 156.29 57.00 14 6 -16 126.99 40.33 14 6 -15 -1.17 18.83 14 6 -15 14.00 16.22 14 -6 -15 20.40 30.77 14 6 -14 34.55 24.42 14 6 -14 44.18 28.83 14 -6 -14 8.39 28.96 14 6 -13 15.43 18.25 14 6 -13 26.49 17.96 14 -6 -13 -23.19 41.33 14 6 -12 31.72 24.29 14 6 -12 21.40 17.84 14 -6 -12 42.03 29.07 14 6 -11 1.88 26.01 14 6 -11 -3.65 16.44 14 -6 -11 -38.18 42.67 14 -6 -10 -2.59 24.88 14 6 -10 25.88 22.63 14 6 -10 29.63 19.44 14 -6 -9 150.05 54.64 14 6 -9 165.60 48.25 14 6 -9 147.12 33.24 14 -6 -8 14.18 33.97 14 6 -8 -1.59 10.19 14 6 -8 -6.83 19.14 14 -6 -7 441.40 82.29 14 6 -7 399.06 50.10 14 6 -7 361.05 72.84 14 -6 -6 11.14 19.99 14 6 -6 16.55 12.43 14 6 -6 -5.98 18.47 14 -6 -5 156.40 51.73 14 6 -5 207.60 34.97 14 6 -5 261.27 65.99 14 6 -4 115.85 43.43 14 -6 -4 133.03 46.78 14 6 -4 132.62 26.88 14 6 -3 17.70 23.50 14 -6 -3 69.98 35.23 14 6 -3 57.02 17.27 14 6 -2 -14.99 29.93 -14 6 2 9.51 4.98 14 -6 -2 -17.99 36.78 14 6 -2 3.33 9.01 -14 6 1 -1.39 4.24 14 -6 -1 -6.96 26.67 14 6 -1 4.85 5.87 -14 6 0 7.18 7.20 14 -6 0 -6.76 25.60 -14 6 -1 6.99 7.30 14 -6 1 10.90 24.39 -14 6 -2 140.60 22.44 14 -6 2 142.95 50.22 -14 6 -3 4.42 9.04 14 -6 3 -33.88 46.94 -14 6 -4 54.54 17.08 14 -6 4 -36.43 36.14 -14 6 -5 16.61 12.59 14 -6 5 46.00 38.31 -14 6 -6 57.19 17.73 14 -6 6 56.87 41.54 -14 6 -7 7.35 10.16 14 -6 7 53.73 41.52 -14 6 -8 61.56 20.74 14 -6 8 116.38 59.15 -14 6 -9 18.38 16.79 14 -6 9 52.56 46.44 -14 6 -10 63.27 22.33 14 -6 10 54.49 43.58 -14 6 -11 23.46 20.03 14 -6 11 -15.68 24.59 14 -6 12 15.33 33.50 14 -6 13 -1.15 30.25 14 -6 14 22.58 36.46 14 7 -27 131.70 39.25 14 7 -26 399.78 64.44 14 7 -26 368.93 77.80 14 7 -25 278.74 53.16 14 7 -25 310.07 69.97 14 7 -24 418.88 60.29 14 7 -24 558.65 91.41 14 7 -23 282.46 49.13 14 7 -23 347.42 70.14 14 7 -22 644.63 71.99 14 7 -22 701.16 95.56 14 7 -21 204.74 40.13 14 7 -21 290.38 61.75 14 7 -20 560.75 62.84 14 7 -20 647.56 88.81 14 7 -19 500.33 76.51 14 7 -18 366.59 63.81 14 -7 -17 768.47 130.33 14 7 -17 618.68 81.74 14 -7 -16 689.33 121.51 14 7 -16 585.06 78.97 14 7 -16 659.08 80.28 14 7 -15 440.05 65.08 14 -7 -15 453.68 97.23 14 7 -15 468.39 68.93 14 7 -14 679.41 82.15 14 -7 -14 875.36 127.44 14 7 -14 717.94 82.30 14 7 -13 374.30 63.17 14 7 -13 408.02 60.76 14 -7 -13 405.20 87.61 14 7 -12 264.36 55.21 14 7 -12 217.47 44.16 14 -7 -12 189.40 61.09 14 7 -11 335.03 62.26 14 7 -11 300.28 50.00 14 -7 -11 322.34 76.14 14 7 -10 142.70 42.29 14 7 -10 94.37 27.73 14 -7 -10 138.19 46.78 14 -7 -9 122.05 48.95 14 7 -9 106.95 39.70 14 7 -9 102.98 29.47 14 -7 -8 167.67 55.28 14 7 -8 123.55 31.09 14 7 -8 87.92 35.86 14 -7 -7 54.55 34.71 14 7 -7 28.42 13.67 14 7 -7 49.47 36.49 14 -7 -6 4.19 26.83 14 7 -6 -5.68 11.73 14 7 -6 13.27 20.61 14 7 -5 6.00 27.00 14 -7 -5 18.37 32.40 14 7 -5 -8.96 12.74 14 7 -4 182.43 53.25 14 -7 -4 212.34 58.84 14 7 -4 284.50 40.15 14 7 -3 198.54 65.28 14 -7 -3 253.61 62.29 -14 7 3 220.47 16.59 14 7 -3 244.12 34.67 14 -7 -2 604.41 100.02 -14 7 2 505.59 29.49 14 7 -2 513.92 47.31 14 -7 -1 253.36 63.21 -14 7 1 308.66 26.74 14 7 -1 281.48 33.48 14 -7 0 755.02 110.26 -14 7 0 806.73 46.12 -14 7 -1 301.00 31.31 14 -7 1 190.05 54.70 14 -7 2 879.84 123.39 -14 7 -2 971.19 59.47 -14 7 -3 571.39 48.73 14 -7 3 577.38 101.21 14 -7 4 1146.87 143.19 -14 7 -4 1180.76 73.05 -14 7 -5 732.42 60.74 14 -7 5 641.00 108.10 14 -7 6 883.10 128.70 -14 7 -6 877.96 70.04 -14 7 -7 373.48 48.52 14 -7 7 254.27 72.90 -14 7 -8 663.83 66.63 14 -7 8 705.38 120.06 -14 7 -9 254.78 42.79 14 -7 9 249.56 76.71 -14 7 -10 454.18 58.38 14 -7 10 540.59 106.48 14 -7 11 446.35 101.39 14 -7 12 381.39 98.82 14 -7 13 109.14 54.01 14 -7 14 71.42 47.04 14 8 -27 33.42 25.01 14 8 -26 42.22 24.81 14 8 -25 50.05 23.95 14 8 -25 110.37 44.43 14 8 -24 92.02 31.46 14 8 -24 102.60 40.04 14 8 -23 44.64 23.70 14 8 -23 25.70 20.87 14 8 -22 66.55 26.54 14 8 -22 57.49 32.58 14 8 -21 150.74 36.81 14 8 -21 152.75 50.95 14 8 -20 19.10 22.22 14 8 -19 348.35 64.26 14 8 -18 2.54 22.81 14 -8 -17 204.59 79.64 14 8 -17 175.98 47.56 14 8 -16 3.23 15.64 14 -8 -16 3.20 30.60 14 8 -16 -0.02 18.40 14 8 -15 161.90 41.37 14 -8 -15 143.19 58.65 14 8 -15 108.46 34.18 14 8 -14 -7.87 18.75 14 -8 -14 -30.97 34.41 14 8 -14 -18.41 23.24 14 8 -13 192.20 45.27 14 8 -13 154.21 38.43 14 -8 -13 173.66 61.72 14 8 -12 64.36 30.53 14 8 -12 47.38 20.70 14 -8 -12 11.40 41.27 14 8 -11 279.71 58.08 14 8 -11 272.46 49.28 14 -8 -11 262.00 65.58 14 8 -10 39.80 31.56 14 8 -10 -2.97 20.06 14 -8 -10 12.45 34.93 14 8 -9 120.06 31.45 14 8 -9 125.45 41.81 14 -8 -9 138.01 51.14 14 -8 -8 -3.14 32.08 14 8 -8 24.46 15.38 14 8 -8 14.01 23.80 14 -8 -7 13.53 38.51 14 8 -7 16.91 16.65 14 8 -7 8.90 24.25 14 8 -6 148.08 47.82 14 -8 -6 101.01 48.27 14 8 -6 125.87 30.14 14 8 -5 45.26 33.43 14 -8 -5 70.17 41.11 14 8 -5 37.87 17.67 14 -8 -4 42.07 41.25 14 8 -4 110.17 27.44 14 -8 -3 81.06 45.24 -14 8 3 101.05 13.06 14 8 -3 114.27 26.57 14 -8 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874.31 95.80 14 9 -14 87.67 33.34 14 -9 -14 27.26 27.94 14 9 -14 24.59 18.15 14 9 -13 469.79 69.33 14 9 -13 494.71 69.62 14 -9 -13 444.76 89.87 14 9 -12 57.81 33.73 14 -9 -12 11.28 35.96 14 9 -12 53.14 24.54 14 9 -11 72.39 30.66 14 9 -11 148.68 40.03 14 -9 -11 141.49 50.51 14 9 -10 33.88 24.64 14 9 -10 30.94 20.58 14 -9 -10 12.97 26.17 14 9 -9 45.49 22.88 14 9 -9 41.70 25.97 14 -9 -9 4.01 27.61 14 9 -8 12.40 12.71 14 9 -8 22.91 19.46 14 -9 -8 33.56 28.78 14 -9 -7 3.47 27.65 14 9 -7 31.26 29.68 14 9 -7 45.50 23.39 14 -9 -6 0.28 28.74 14 9 -6 39.87 28.05 14 9 -6 40.64 19.19 14 -9 -5 212.51 65.34 14 9 -5 159.06 34.06 14 -9 -4 -8.73 25.87 14 9 -4 12.07 15.19 14 -9 -3 204.22 61.27 14 9 -3 205.64 35.80 14 -9 -2 2.47 26.65 -14 9 2 15.37 7.24 14 9 -2 16.22 12.59 14 -9 -1 417.24 85.76 -14 9 1 514.49 39.39 14 9 -1 514.27 51.84 14 -9 0 157.74 56.21 -14 9 0 162.48 23.86 14 -9 1 957.82 128.99 -14 9 -1 951.98 60.60 14 -9 2 77.02 39.59 -14 9 -2 127.41 24.71 14 -9 3 1024.99 135.85 -14 9 -3 944.99 66.40 14 -9 4 48.74 29.24 -14 9 -4 101.10 24.15 14 -9 5 1030.63 139.39 14 9 5 1043.81 148.10 -14 9 -5 1091.77 78.59 14 -9 6 90.40 49.48 -14 9 -6 116.28 28.58 14 -9 7 1259.82 156.49 14 -9 8 103.32 49.39 14 -9 9 601.51 112.99 14 -9 10 -7.05 38.00 14 -9 11 270.65 81.09 14 -9 12 -10.87 33.25 14 -9 13 255.99 79.94 14 10 -27 -29.13 22.42 14 10 -26 38.36 21.45 14 10 -25 -30.01 30.67 14 10 -25 25.33 17.93 14 10 -24 44.64 24.88 14 10 -24 77.84 41.74 14 10 -23 128.03 50.61 14 10 -22 -0.33 15.94 14 10 -21 167.84 54.73 14 10 -20 58.87 30.28 14 10 -19 8.71 22.62 14 10 -18 125.31 38.84 14 10 -17 12.38 18.70 14 -10 -16 240.43 79.00 14 10 -16 210.13 49.85 14 10 -15 64.41 26.18 14 -10 -15 135.94 65.63 14 10 -15 114.05 38.29 14 10 -14 535.95 72.66 14 -10 -14 604.91 119.81 14 10 -14 662.78 85.42 14 10 -13 43.45 28.71 14 -10 -13 51.30 48.13 14 10 -13 15.34 23.33 14 10 -12 892.69 100.11 14 10 -12 817.34 90.58 14 -10 -12 850.20 128.00 14 10 -11 12.46 23.40 14 -10 -11 28.28 32.50 14 10 -11 2.42 13.99 14 10 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-4 -5 205.92 84.05 22 4 -5 180.12 72.51 22 -4 -4 76.68 52.84 22 4 -4 129.39 65.61 22 4 -3 27.82 35.99 22 -5 -22 282.93 97.68 22 5 -21 33.38 31.78 22 -5 -21 41.19 46.60 22 5 -20 282.79 62.60 22 -5 -20 339.08 102.14 22 5 -19 55.70 32.64 22 -5 -19 52.45 64.27 22 5 -18 243.79 55.79 22 -5 -18 206.81 82.11 22 5 -17 2.99 21.32 22 -5 -17 19.84 43.18 22 5 -16 72.18 41.83 22 5 -16 95.40 35.87 22 -5 -16 179.67 81.23 22 5 -15 58.89 43.91 22 -5 -15 57.75 55.10 22 -5 -14 92.85 57.84 22 5 -14 141.95 63.88 22 -5 -13 152.05 78.64 22 5 -13 74.24 45.66 22 -5 -12 -10.87 39.28 22 5 -12 39.11 38.23 22 -5 -11 120.75 63.00 22 5 -11 58.60 45.25 22 -5 -10 16.80 32.62 22 5 -10 -10.17 30.97 22 -5 -9 160.87 73.90 22 5 -9 48.13 36.13 22 -5 -8 57.75 45.10 22 5 -8 100.37 65.00 22 -5 -7 53.41 53.36 22 5 -7 104.29 53.73 22 -5 -6 154.65 70.11 22 5 -6 132.84 65.05 22 -5 -5 63.17 46.65 22 5 -5 3.82 41.10 22 -5 -4 222.79 78.55 22 5 -4 328.40 106.83 22 5 -3 51.46 54.32 22 -6 -22 142.16 81.66 22 6 -21 21.61 27.52 22 -6 -21 62.43 57.90 22 6 -20 37.33 31.01 22 -6 -20 43.48 51.99 22 6 -19 18.97 27.46 22 -6 -19 31.23 45.03 22 6 -18 111.36 38.99 22 -6 -18 128.73 76.14 22 6 -17 20.15 21.65 22 -6 -17 -26.91 57.92 22 6 -16 53.57 44.92 22 6 -16 52.49 27.44 22 -6 -16 120.13 63.64 22 6 -15 78.39 49.45 22 -6 -15 64.56 51.26 22 6 -14 17.62 33.98 22 -6 -14 -21.40 29.83 22 -6 -13 22.07 31.11 22 6 -13 -55.22 47.14 22 -6 -12 37.18 40.44 22 6 -12 7.05 24.51 22 -6 -11 36.69 48.01 22 6 -11 -13.16 37.06 22 -6 -10 111.20 66.71 22 6 -10 -4.48 35.77 22 -6 -9 37.77 53.39 22 6 -9 -2.30 32.12 22 -6 -8 2.73 34.66 22 6 -8 24.77 37.98 22 -6 -7 30.26 46.62 22 6 -7 39.51 46.79 22 -6 -6 75.44 53.21 22 6 -6 95.88 54.02 22 -6 -5 19.20 32.36 22 6 -5 -20.94 40.10 22 6 -4 222.56 83.28 22 -7 -23 156.33 79.86 22 -7 -22 331.31 112.85 22 7 -21 121.84 43.26 22 -7 -21 242.52 94.48 22 7 -20 210.14 57.33 22 -7 -20 109.89 68.07 22 7 -19 271.90 62.37 22 -7 -19 198.73 85.84 22 7 -18 141.00 45.44 22 -7 -18 201.59 83.58 22 7 -17 96.39 37.97 22 -7 -17 49.73 55.35 22 -7 -16 5.72 38.68 22 7 -15 25.57 27.03 22 -7 -15 233.12 91.86 22 7 -14 -26.38 25.96 22 -7 -14 38.38 51.48 22 7 -13 50.12 42.11 22 -7 -13 56.94 48.86 22 -7 -12 12.78 32.53 22 7 -12 -17.61 39.96 22 -7 -11 -19.65 46.54 22 7 -11 13.75 31.23 22 -7 -10 15.35 47.04 22 7 -10 -46.45 42.88 22 -7 -9 49.59 45.59 22 7 -9 76.39 54.02 22 -7 -8 49.12 40.16 22 7 -8 77.08 57.71 22 -7 -7 51.55 54.08 22 7 -7 49.66 48.21 22 -7 -6 114.35 65.17 22 7 -6 148.63 71.69 22 7 -5 100.79 63.38 22 7 -4 89.22 63.75 22 -8 -21 21.81 49.90 22 8 -20 62.72 37.94 22 -8 -20 41.93 40.18 22 8 -19 111.34 45.26 22 -8 -19 -10.07 42.95 22 8 -18 55.47 35.20 22 -8 -18 167.95 83.33 22 8 -17 49.58 32.92 22 -8 -17 28.65 49.69 22 -8 -16 -17.06 45.45 22 -8 -15 91.48 63.59 22 8 -14 71.12 39.78 22 -8 -14 117.34 64.60 22 8 -13 -4.74 29.57 22 -8 -13 2.43 35.23 22 8 -12 14.21 29.62 22 -8 -12 19.39 38.39 22 -8 -11 58.63 50.58 22 8 -11 7.40 33.24 22 -8 -10 96.47 65.33 22 8 -10 71.51 49.49 22 -8 -9 118.59 66.26 22 8 -9 68.40 61.68 22 -8 -8 24.79 49.11 22 8 -8 23.18 34.87 22 -8 -7 67.59 56.04 22 8 -7 208.72 82.27 22 8 -6 40.24 45.86 22 8 -5 101.68 58.21 22 8 -4 112.98 75.31 22 9 -20 -1.54 17.36 22 9 -19 189.12 53.43 22 9 -18 6.50 23.65 22 -9 -18 6.89 47.52 22 9 -17 207.55 55.09 22 -9 -17 258.29 93.42 22 -9 -16 -78.58 61.71 22 -9 -15 58.65 45.70 22 9 -14 51.20 41.52 22 -9 -14 86.58 58.80 22 9 -13 27.14 30.66 22 -9 -13 91.33 56.45 22 9 -12 108.15 54.67 22 -9 -12 140.04 73.11 22 9 -11 18.39 37.74 22 -9 -11 2.22 35.11 22 -9 -10 166.62 74.80 22 9 -10 54.38 41.51 22 -9 -9 135.47 75.03 22 9 -9 47.12 42.50 22 9 -8 148.49 67.67 22 9 -7 75.02 58.92 22 9 -6 235.33 85.19 22 9 -5 105.11 67.47 22 10 -20 52.37 34.67 22 10 -19 111.65 44.18 22 10 -18 33.29 27.41 22 10 -17 52.95 34.16 22 10 -13 -22.22 39.13 22 10 -12 252.86 81.46 22 10 -11 33.52 50.53 22 10 -10 206.66 76.91 22 10 -9 8.94 33.21 22 10 -8 281.20 91.96 22 10 -7 55.65 59.31 22 10 -6 57.09 46.33 22 10 -5 17.22 34.10 22 11 -19 -17.44 27.25 22 11 -18 147.63 48.57 22 11 -17 36.63 31.92 22 11 -12 265.54 86.45 22 11 -11 24.63 42.27 22 11 -10 223.96 80.01 22 11 -9 62.04 53.33 22 11 -8 81.23 58.88 22 11 -7 104.45 66.11 22 11 -6 166.93 71.38 22 12 -18 94.67 46.12 22 12 -12 200.48 76.96 22 12 -11 8.83 38.08 22 12 -10 496.81 117.34 22 12 -9 140.77 78.26 22 12 -8 380.13 105.30 22 12 -7 22.63 39.18 22 13 -18 49.61 36.44 22 13 -11 384.12 100.71 22 13 -10 149.15 73.83 22 13 -9 173.46 75.00 22 13 -8 155.73 77.04 22 13 -7 127.08 68.30 22 14 -10 146.21 70.62 22 14 -9 358.37 109.75 22 14 -8 10.95 39.86 22 15 -9 261.45 92.96 23 0 -19 438.86 107.76 23 0 -18 -26.16 28.58 23 0 -17 363.20 99.69 23 0 -16 -54.57 42.20 23 0 -15 116.88 62.82 23 0 -14 -1.69 33.27 23 0 -13 45.73 50.09 23 0 -12 93.89 58.58 23 0 -11 -47.47 48.07 23 0 -10 -33.73 37.18 23 0 -9 22.17 36.82 23 0 -8 12.24 38.43 23 0 -7 186.26 74.05 23 0 -6 -15.35 50.85 23 -1 -20 -89.91 61.55 23 -1 -19 55.39 57.52 23 1 -19 20.01 41.26 23 1 -18 36.64 42.88 23 -1 -18 54.96 37.93 23 -1 -17 75.51 58.11 23 1 -17 -13.97 31.73 23 -1 -16 64.65 51.82 23 1 -16 92.06 56.20 23 -1 -15 -25.76 33.09 23 1 -15 31.32 42.16 23 -1 -14 55.60 48.12 23 1 -14 77.50 51.03 23 -1 -13 28.46 42.11 23 1 -13 29.25 47.15 23 -1 -12 58.24 46.43 23 1 -12 64.02 38.98 23 -1 -11 77.73 64.83 23 1 -11 3.96 30.05 23 -1 -10 59.60 52.01 23 1 -10 -5.96 36.75 23 -1 -9 33.32 41.37 23 1 -9 22.16 42.00 23 -1 -8 21.97 40.79 23 1 -8 0.18 34.46 23 -1 -7 -4.43 38.59 23 1 -7 25.92 36.80 23 1 -6 7.95 26.84 23 2 -21 277.11 62.68 23 2 -20 161.24 48.10 23 -2 -20 53.68 53.41 23 2 -19 217.40 55.29 23 -2 -19 238.81 84.78 23 2 -18 143.60 67.50 23 2 -18 154.97 47.45 23 -2 -18 28.75 40.90 23 2 -17 163.21 68.16 23 -2 -17 151.52 67.32 23 -2 -16 55.90 53.38 23 2 -16 79.63 53.07 23 -2 -15 38.46 43.14 23 2 -15 59.07 43.88 23 -2 -14 116.61 67.96 23 2 -14 70.70 53.17 23 -2 -13 51.95 47.09 23 2 -13 6.94 39.87 23 -2 -12 -14.22 43.38 23 2 -12 -10.70 43.95 23 -2 -11 31.59 43.33 23 2 -11 -58.34 56.25 23 -2 -10 -39.57 41.12 23 2 -10 24.42 43.47 23 -2 -9 -46.19 47.31 23 2 -9 22.35 42.95 23 -2 -8 34.98 49.61 23 2 -8 103.97 61.61 23 -2 -7 206.30 84.22 23 2 -7 138.48 66.35 23 2 -6 38.34 39.15 23 3 -21 44.69 30.98 23 -3 -21 25.39 46.11 23 3 -20 -7.02 22.82 23 -3 -20 3.24 41.08 23 3 -19 78.74 33.45 23 -3 -19 -34.68 44.18 23 3 -18 102.65 40.05 23 -3 -18 71.40 45.29 23 3 -17 109.66 50.13 23 -3 -17 292.60 93.96 23 3 -16 133.72 60.51 23 -3 -16 86.94 59.33 23 -3 -15 154.22 67.92 23 3 -15 129.18 57.81 23 -3 -14 219.52 80.31 23 3 -14 160.65 66.88 23 -3 -13 141.15 68.12 23 3 -13 66.86 42.94 23 -3 -12 283.42 90.30 23 3 -12 252.65 82.39 23 -3 -11 265.36 91.18 23 3 -11 184.62 69.81 23 -3 -10 303.01 93.42 23 3 -10 211.39 78.37 23 -3 -9 286.95 90.37 23 3 -9 155.74 64.30 23 -3 -8 59.31 47.83 23 3 -8 28.34 42.83 23 3 -7 147.39 67.47 23 3 -6 79.44 62.30 23 4 -21 49.76 33.03 23 -4 -21 55.21 52.98 23 4 -20 213.65 55.85 23 -4 -20 120.98 66.50 23 4 -19 67.80 35.15 23 -4 -19 129.98 73.97 23 -4 -18 111.52 55.76 23 4 -17 26.37 35.86 23 -4 -17 82.36 59.53 23 4 -16 46.79 35.84 23 -4 -16 40.16 48.34 23 -4 -15 38.81 45.99 23 4 -15 53.43 44.14 23 -4 -14 45.54 50.72 23 4 -14 -27.81 40.96 23 -4 -13 49.01 43.01 23 4 -13 2.24 31.79 23 -4 -12 25.80 49.58 23 4 -12 -0.32 38.97 23 -4 -11 -25.92 42.92 23 4 -11 14.27 31.61 23 -4 -10 13.49 33.04 23 4 -10 17.42 33.81 23 -4 -9 173.23 74.96 23 4 -9 -25.64 39.53 23 -4 -8 -5.67 39.23 23 4 -8 -48.95 49.97 23 4 -7 11.35 44.11 23 4 -6 96.01 61.15 23 -5 -22 6.56 46.28 23 5 -21 187.64 53.79 23 -5 -21 306.40 108.14 23 5 -20 43.12 33.67 23 -5 -20 66.23 61.29 23 5 -19 303.13 64.68 23 -5 -19 260.20 95.28 23 -5 -18 24.34 44.29 23 -5 -17 424.68 112.41 23 5 -16 -3.49 24.99 23 -5 -16 30.06 39.07 23 5 -15 480.99 106.04 23 -5 -15 427.11 108.83 23 -5 -14 -16.84 34.01 23 5 -14 -7.70 33.58 23 -5 -13 787.09 148.76 23 5 -13 638.73 125.03 23 -5 -12 24.80 47.53 23 5 -12 -22.19 38.08 23 -5 -11 773.61 147.10 23 5 -11 745.60 135.62 23 -5 -10 77.05 64.99 23 5 -10 -10.14 33.96 23 -5 -9 454.99 112.52 23 5 -9 565.16 123.36 23 5 -8 18.27 52.10 23 5 -7 500.77 119.96 23 -6 -21 1.22 32.15 23 6 -20 54.03 32.51 23 -6 -20 55.31 54.55 23 6 -19 -15.96 23.19 23 -6 -19 -44.10 42.47 23 -6 -18 13.29 34.35 23 -6 -17 -32.77 46.30 23 -6 -16 61.08 56.29 23 6 -15 44.03 48.85 23 -6 -15 21.87 50.65 23 6 -14 -37.73 44.58 23 -6 -14 -3.15 40.67 23 -6 -13 98.25 65.99 23 6 -13 -3.94 38.81 23 -6 -12 -29.15 30.94 23 6 -12 -11.27 41.43 23 -6 -11 73.29 63.46 23 6 -11 -17.28 28.56 23 6 -10 75.73 56.61 23 6 -9 -25.72 33.78 23 6 -8 93.40 64.36 23 6 -7 99.56 60.19 23 7 -20 53.21 32.09 23 7 -19 224.05 58.39 23 -7 -16 86.68 62.52 23 7 -15 441.01 102.60 23 -7 -15 335.53 105.08 23 7 -14 167.43 65.48 23 -7 -14 255.08 99.72 23 7 -13 446.57 105.69 23 7 -12 287.92 88.10 23 7 -11 417.55 103.66 23 7 -10 120.65 61.99 23 7 -9 420.47 107.65 23 7 -8 200.51 81.26 23 7 -7 333.15 101.00 23 8 -20 -18.48 23.31 23 8 -19 23.85 28.67 23 8 -14 1.78 32.55 23 8 -13 13.62 34.43 23 8 -12 -37.27 38.67 23 8 -11 -4.63 31.98 23 8 -10 22.45 44.25 23 8 -9 38.80 43.20 23 8 -8 83.58 67.83 23 9 -13 -17.69 31.95 23 9 -12 350.86 93.96 23 9 -11 130.97 63.85 23 9 -10 686.10 140.08 23 9 -9 128.36 73.75 23 9 -8 658.92 140.32 23 10 -13 68.70 45.52 23 10 -12 31.13 49.35 23 10 -11 23.52 38.04 23 10 -10 17.44 43.58 23 10 -9 52.93 53.83 23 10 -8 2.16 39.24 23 11 -12 186.08 82.10 23 11 -11 0.44 36.00 23 11 -10 237.35 86.53 23 11 -9 21.84 43.95 23 12 -11 75.54 55.77 23 12 -10 90.51 59.59 23 13 -10 -7.42 30.56 24 0 -19 14.41 39.32 24 0 -18 130.84 66.38 24 0 -17 -23.33 33.51 24 0 -16 347.18 101.16 24 0 -15 27.06 41.64 24 0 -14 432.94 108.44 24 0 -13 -0.46 41.32 24 0 -12 397.52 102.21 24 0 -11 -25.27 44.57 24 -1 -19 -35.22 36.10 24 1 -18 203.89 74.89 24 -1 -18 261.87 91.47 24 -1 -17 34.16 33.57 24 1 -17 -9.52 29.70 24 -1 -16 221.18 88.93 24 1 -16 334.83 99.32 24 -1 -15 -21.02 43.02 24 1 -15 57.02 50.10 24 -1 -14 134.96 65.52 24 1 -14 91.67 54.68 24 -1 -13 5.07 42.77 24 1 -13 28.32 53.58 24 -1 -12 284.87 93.20 24 1 -12 229.14 84.14 24 1 -11 74.81 49.49 24 -2 -20 6.49 36.14 24 -2 -19 43.08 51.07 24 2 -18 7.95 34.71 24 -2 -18 56.30 52.28 24 2 -17 250.53 84.04 24 -2 -17 109.52 58.55 24 -2 -16 244.12 89.89 24 2 -16 129.36 62.53 24 -2 -15 95.92 60.91 24 2 -15 181.89 74.54 24 -2 -14 92.29 58.75 24 2 -14 236.64 80.49 24 -2 -13 116.76 66.26 24 2 -13 67.41 49.81 24 2 -12 232.56 85.11 24 2 -11 38.85 43.46 24 -3 -20 92.25 59.88 24 -3 -19 -68.80 55.26 24 -3 -18 137.02 72.53 24 3 -17 -11.22 39.61 24 -3 -17 17.39 39.46 24 -3 -16 169.67 75.62 24 3 -16 100.27 62.14 24 -3 -15 72.44 55.72 24 3 -15 18.18 33.92 24 3 -14 162.02 75.02 24 3 -13 100.46 59.96 24 3 -12 2.75 33.83 24 3 -11 128.58 62.62 24 3 -10 -3.91 41.31 24 4 -16 36.66 48.09 24 4 -15 201.61 77.64 24 4 -14 -21.01 32.16 24 4 -13 149.25 66.61 24 4 -12 17.23 40.18 24 4 -11 199.11 77.05 24 4 -10 24.78 33.26 24 5 -16 71.00 52.92 24 5 -15 6.79 26.48 24 5 -14 59.35 51.39 24 5 -13 103.84 60.03 24 5 -12 -6.06 35.41 24 5 -11 55.48 50.23 24 5 -10 -43.35 60.98 24 6 -15 29.80 39.49 24 6 -14 14.70 36.24 24 6 -13 -3.67 36.93 24 6 -12 -27.48 46.78 24 6 -11 50.72 39.14 24 7 -14 43.29 50.21 24 7 -13 -36.39 48.46 24 7 -12 -29.60 51.17 24 7 -11 -21.94 38.55 24 8 -14 -21.57 33.52 24 8 -13 41.77 38.53 24 8 -12 4.09 29.51 24 8 -11 26.50 40.27 24 9 -13 -67.39 52.61 24 9 -12 53.04 46.51 24 10 -12 104.04 58.71 25 2 -17 31.42 39.39 25 3 -17 -2.42 30.32 25 3 -16 -11.44 37.81 25 4 -16 3.04 29.04 0 0 0 0.00 0.00 TITL atl31 in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 0.71073 18.618923 22.604601 22.281827 90.0000 113.7258 90.0000 ZERR 8.00 0.000502 0.000711 0.000532 0.0000 0.0030 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N Si P Th UNIT 264.00 616.00 32.00 24.00 8.00 8.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 78236 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.089 _oxdiff_exptl_absorpt_empirical_full_min 0.502