data_mo_1292_sk_0m _exptl_crystal_colour_lustre ? _exptl_crystal_preparation ? _audit_creation_date 2021-03-02 _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. (2008). Acta Cryst. A64, 112-122. Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8. ; loop_ _audit_author_name _audit_author_email _audit_author_address 'Karnbrock, S.' skarnbr@uni-goettingen.de ; Georg-August-Universitaet Goettingen Institut fuer Organische und Biomolekulare Chemie Tammannstrasse 2 Goettingen D-37077 Germany ; _audit_contact_author_name ? _audit_contact_author_email ? _audit_contact_author_address ? _audit_contact_author_phone ? _publ_contact_author_id_orcid ? _diffrn_source_power 0.07 _audit_creation_method ; FinalCif V91 by Daniel Kratzert, Freiburg 2021, https://dkratzert.de/finalcif.html ; _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_formula_sum 'C35 H44 N3 O2 P' _chemical_formula_moiety 'C35 H44 N3 O2 P' _exptl_crystal_colour_primary colourless _chemical_formula_weight 569.70 _chemical_melting_point ? _olex2_submission_original_sample_id si-ka-II-15 _olex2_submission_special_instructions 'No special instructions were received' _space_group_crystal_system 'triclinic' _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.4599(12) _cell_length_b 13.0637(17) _cell_length_c 14.5931(17) _cell_angle_alpha 106.884(4) _cell_angle_beta 99.090(4) _cell_angle_gamma 104.437(4) _cell_volume 1618.7(4) _cell_formula_units_Z 2 _cell_measurement_temperature 100.0 _cell_measurement_reflns_used 9233 _cell_measurement_theta_min 2.295 _cell_measurement_theta_max 30.509 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_recrystallization_method 'crystallized from a saturated pentane solution at -20 degC' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.169 _exptl_crystal_F_000 612 _exptl_crystal_size_max 0.268 _exptl_crystal_size_mid 0.143 _exptl_crystal_size_min 0.14 _exptl_absorpt_coefficient_mu 0.119 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8210 _exptl_absorpt_correction_T_max 0.8374 _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0565 before and 0.0397 after correction. The Ratio of minimum to maximum transmission is 0.9804. The \l/2 correction factor is Not present. ; _exptl_absorpt_special_details ? _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_special_details ? _diffrn_ambient_temperature 100.0 _diffrn_ambient_environment N~2~ _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator 'mirror optics' _olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800' _diffrn_measurement_ambient_temperature_device_make 'Bruker Kryoflex II' _diffrn_radiation_probe x-ray _diffrn_source 'microfocus sealed X-ray tube' _diffrn_source_type 'Incoatec I\ms' _diffrn_source_voltage 50.0 _diffrn_source_current 1.4 _diffrn_detector CPAD _diffrn_detector_type 'Bruker PHOTON III' _diffrn_detector_area_resol_mean 7.41 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Bruker D8 VENTURE dual wavelength Mo/Ag' _diffrn_measurement_method '\w and \f scans' _diffrn_measurement_specimen_support 'MiTeGen micromount' _diffrn_reflns_number 133154 _diffrn_reflns_av_unetI/netI 0.0114 _diffrn_reflns_av_R_equivalents 0.0245 _diffrn_reflns_theta_min 2.295 _diffrn_reflns_theta_max 30.519 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_standards_number 0 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measured_fraction_theta_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_point_group_measured_fraction_full 0.999 _reflns_number_total 9896 _reflns_number_gt 9158 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ? _computing_cell_refinement 'SAINT V8.40A (?, 2016)' _computing_data_reduction 'SAINT V8.40A (?, 2016)' _computing_structure_solution 'XT (Sheldrick, 2015)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0449P)^2^+0.5321P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary dual _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_number_reflns 9896 _refine_ls_number_parameters 413 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0349 _refine_ls_R_factor_gt 0.0322 _refine_ls_wR_factor_ref 0.0900 _refine_ls_wR_factor_gt 0.0874 _refine_ls_goodness_of_fit_ref 1.050 _refine_ls_restrained_S_all 1.055 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_diff_density_max 0.502 _refine_diff_density_min -0.312 _refine_diff_density_rms 0.044 _refine_ls_extinction_method none _refine_ls_extinction_coef . loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances C11-C12A \\sim C11-C12B with sigma of 0.02 C11-C14A \\sim C11-C14B with sigma of 0.02 C11-C13A \\sim C11-C13B with sigma of 0.02 3. Others Sof(C12B)=Sof(H12D)=Sof(H12E)=Sof(H12F)=Sof(C13B)=Sof(H13D)=Sof(H13E)= Sof(H13F)=Sof(C14B)=Sof(H14D)=Sof(H14E)=Sof(H14F)=1-FVAR(1) Sof(C12A)=Sof(H12A)=Sof(H12B)=Sof(H12C)=Sof(C13A)=Sof(H13A)=Sof(H13B)= Sof(H13C)=Sof(C14A)=Sof(H14A)=Sof(H14B)=Sof(H14C)=FVAR(1) 4.a Aromatic/amide H refined with riding coordinates: C2(H2), C4(H4), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C24(H24) 4.b Idealised Me refined as rotating group: C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C33(H33A,H33B, H33C), C34(H34A,H34B,H34C), C12A(H12A,H12B,H12C), C13A(H13A,H13B,H13C), C14A(H14A,H14B,H14C), C12B(H12D,H12E,H12F), C13B(H13D,H13E,H13F), C14B(H14D, H14E,H14F) ; 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 P1 P 0.43965(2) 0.26898(2) 0.56365(2) 0.01118(5) Uani 1 1 d . . . . . O1 O 0.40521(6) 0.38943(5) 0.60318(4) 0.01371(11) Uani 1 1 d . . . . . O2 O 0.31005(6) 0.24038(5) 0.46293(4) 0.01426(11) Uani 1 1 d . . . . . N1 N 0.60535(7) 0.32387(6) 0.65391(5) 0.01336(12) Uani 1 1 d . . . . . N2 N 0.51665(7) 0.17457(6) 0.49935(5) 0.01279(12) Uani 1 1 d . . . . . N3 N 0.25471(8) 0.13966(7) 0.66349(6) 0.02089(14) Uani 1 1 d . . . . . C1 C 0.60934(8) 0.42040(6) 0.72959(6) 0.01285(13) Uani 1 1 d . . . . . C2 C 0.70238(9) 0.47514(6) 0.82435(6) 0.01454(14) Uani 1 1 d . . . . . H2 H 0.780778 0.448470 0.847395 0.017 Uiso 1 1 calc R U . . . C3 C 0.67804(9) 0.57071(6) 0.88532(6) 0.01495(14) Uani 1 1 d . . . . . C4 C 0.56277(9) 0.60845(6) 0.84840(6) 0.01607(14) Uani 1 1 d . . . . . H4 H 0.549547 0.674529 0.889974 0.019 Uiso 1 1 calc R U . . . C5 C 0.46538(9) 0.55405(6) 0.75318(6) 0.01400(13) Uani 1 1 d . . . . . C6 C 0.49157(8) 0.45803(6) 0.69726(5) 0.01285(13) Uani 1 1 d . . . . . C7 C 0.34010(9) 0.59566(7) 0.71224(6) 0.01803(15) Uani 1 1 d . . . . . C8 C 0.18539(10) 0.50777(8) 0.69114(8) 0.02453(18) Uani 1 1 d . . . . . H8A H 0.181780 0.436547 0.642758 0.037 Uiso 1 1 calc R U . . . H8B H 0.105964 0.534909 0.664638 0.037 Uiso 1 1 calc R U . . . H8C H 0.169926 0.495914 0.752590 0.037 Uiso 1 1 calc R U . . . C9 C 0.34114(13) 0.70667(9) 0.78577(9) 0.0373(3) Uani 1 1 d . . . . . H9A H 0.323589 0.695334 0.847040 0.056 Uiso 1 1 calc R U . . . H9B H 0.261405 0.732143 0.757165 0.056 Uiso 1 1 calc R U . . . H9C H 0.439104 0.763645 0.800223 0.056 Uiso 1 1 calc R U . . . C10 C 0.36376(12) 0.61577(8) 0.61600(8) 0.02763(19) Uani 1 1 d . . . . . H10A H 0.463953 0.669427 0.629004 0.041 Uiso 1 1 calc R U . . . H10B H 0.286743 0.646329 0.591812 0.041 Uiso 1 1 calc R U . . . H10C H 0.355617 0.544324 0.565980 0.041 Uiso 1 1 calc R U . . . C11 C 0.77709(10) 0.63036(7) 0.99136(6) 0.02078(16) Uani 1 1 d D . . . . C15 C 0.71264(8) 0.26810(6) 0.63927(6) 0.01270(13) Uani 1 1 d . . . . . C16 C 0.85485(9) 0.29192(7) 0.69892(6) 0.01687(15) Uani 1 1 d . . . . . H16 H 0.893092 0.354983 0.758560 0.020 Uiso 1 1 calc R U . . . C17 C 0.94031(9) 0.22109(8) 0.66924(6) 0.01935(16) Uani 1 1 d . . . . . H17 H 1.037250 0.235482 0.709630 0.023 Uiso 1 1 calc R U . . . C18 C 0.88532(9) 0.12990(7) 0.58143(6) 0.01914(16) Uani 1 1 d . . . . . H18 H 0.944146 0.081607 0.563257 0.023 Uiso 1 1 calc R U . . . C19 C 0.74458(9) 0.10808(7) 0.51930(6) 0.01634(14) Uani 1 1 d . . . . . H19 H 0.708262 0.046628 0.458482 0.020 Uiso 1 1 calc R U . . . C20 C 0.65919(8) 0.17822(6) 0.54850(5) 0.01245(13) Uani 1 1 d . . . . . C21 C 0.43711(8) 0.11741(6) 0.39964(5) 0.01223(13) Uani 1 1 d . . . . . C22 C 0.46695(9) 0.03986(6) 0.32362(6) 0.01384(13) Uani 1 1 d . . . . . H22 H 0.549887 0.012786 0.335659 0.017 Uiso 1 1 calc R U . . . C23 C 0.37148(9) 0.00238(6) 0.22842(5) 0.01359(13) Uani 1 1 d . . . . . C24 C 0.24788(9) 0.04140(7) 0.21390(6) 0.01468(14) Uani 1 1 d . . . . . H24 H 0.182373 0.013004 0.149555 0.018 Uiso 1 1 calc R U . . . C25 C 0.21508(8) 0.12039(6) 0.28926(6) 0.01319(13) Uani 1 1 d . . . . . C26 C 0.31490(8) 0.15655(6) 0.38109(5) 0.01259(13) Uani 1 1 d . . . . . C27 C 0.08182(9) 0.16513(7) 0.27257(6) 0.01503(14) Uani 1 1 d . . . . . C28 C -0.01924(9) 0.14155(8) 0.34197(7) 0.02077(16) Uani 1 1 d . . . . . H28A H -0.054385 0.060414 0.329521 0.031 Uiso 1 1 calc R U . . . H28B H -0.106165 0.168100 0.329676 0.031 Uiso 1 1 calc R U . . . H28C H 0.038569 0.181150 0.410862 0.031 Uiso 1 1 calc R U . . . C29 C -0.01501(10) 0.10779(9) 0.16586(6) 0.02402(18) Uani 1 1 d . . . . . H29A H 0.046766 0.121914 0.120193 0.036 Uiso 1 1 calc R U . . . H29B H -0.098978 0.138322 0.157553 0.036 Uiso 1 1 calc R U . . . H29C H -0.054664 0.026498 0.151676 0.036 Uiso 1 1 calc R U . . . C30 C 0.14049(10) 0.29279(7) 0.29309(7) 0.02060(16) Uani 1 1 d . . . . . H30A H 0.197781 0.331448 0.362177 0.031 Uiso 1 1 calc R U . . . H30B H 0.055042 0.320824 0.280650 0.031 Uiso 1 1 calc R U . . . H30C H 0.205966 0.307273 0.249482 0.031 Uiso 1 1 calc R U . . . C31 C 0.40684(9) -0.07962(7) 0.14268(6) 0.01525(14) Uani 1 1 d . . . . . C32 C 0.57465(11) -0.03691(8) 0.14440(7) 0.02251(17) Uani 1 1 d . . . . . H32A H 0.599297 0.039755 0.142462 0.034 Uiso 1 1 calc R U . . . H32B H 0.594953 -0.086548 0.086803 0.034 Uiso 1 1 calc R U . . . H32C H 0.636534 -0.036751 0.205041 0.034 Uiso 1 1 calc R U . . . C33 C 0.31318(12) -0.09128(8) 0.04251(6) 0.02557(19) Uani 1 1 d . . . . . H33A H 0.206305 -0.126184 0.037120 0.038 Uiso 1 1 calc R U . . . H33B H 0.345012 -0.138509 -0.010580 0.038 Uiso 1 1 calc R U . . . H33C H 0.328197 -0.016605 0.036816 0.038 Uiso 1 1 calc R U . . . C34 C 0.37312(11) -0.19637(7) 0.15317(6) 0.02031(16) Uani 1 1 d . . . . . H34A H 0.436955 -0.190862 0.215347 0.030 Uiso 1 1 calc R U . . . H34B H 0.394007 -0.248710 0.097592 0.030 Uiso 1 1 calc R U . . . H34C H 0.266870 -0.224003 0.153278 0.030 Uiso 1 1 calc R U . . . C35 C 0.32229(8) 0.19045(6) 0.62360(6) 0.01397(13) Uani 1 1 d . . . . . C12 C 0.94626(14) 0.65690(12) 0.98631(10) 0.0313(3) Uani 0.767(2) 1 d D . P A 1 H12A H 1.011790 0.696144 1.053237 0.047 Uiso 0.767(2) 1 calc R U P A 1 H12B H 0.965724 0.704765 0.946042 0.047 Uiso 0.767(2) 1 calc R U P A 1 H12C H 0.966928 0.586365 0.956494 0.047 Uiso 0.767(2) 1 calc R U P A 1 C13 C 0.74983(17) 0.55064(12) 1.04935(9) 0.0315(3) Uani 0.767(2) 1 d D . P A 1 H13A H 0.768159 0.480585 1.014819 0.047 Uiso 0.767(2) 1 calc R U P A 1 H13B H 0.645363 0.533908 1.055070 0.047 Uiso 0.767(2) 1 calc R U P A 1 H13C H 0.818425 0.586079 1.115524 0.047 Uiso 0.767(2) 1 calc R U P A 1 C14 C 0.7532(2) 0.73970(13) 1.04272(10) 0.0368(4) Uani 0.767(2) 1 d D . P A 1 H14A H 0.824749 0.776715 1.107764 0.055 Uiso 0.767(2) 1 calc R U P A 1 H14B H 0.650010 0.725283 1.050932 0.055 Uiso 0.767(2) 1 calc R U P A 1 H14C H 0.769073 0.788609 1.003051 0.055 Uiso 0.767(2) 1 calc R U P A 1 C12A C 0.8895(6) 0.5838(5) 1.0257(3) 0.0396(14) Uani 0.233(2) 1 d D . P A 2 H12D H 0.967383 0.590675 0.988896 0.059 Uiso 0.233(2) 1 calc R U P A 2 H12E H 0.841984 0.504232 1.015336 0.059 Uiso 0.233(2) 1 calc R U P A 2 H12F H 0.935450 0.625055 1.096372 0.059 Uiso 0.233(2) 1 calc R U P A 2 C13A C 0.6627(5) 0.6294(5) 1.0681(3) 0.0350(11) Uani 0.233(2) 1 d D . P A 2 H13D H 0.615721 0.551753 1.063897 0.052 Uiso 0.233(2) 1 calc R U P A 2 H13E H 0.584268 0.661538 1.049299 0.052 Uiso 0.233(2) 1 calc R U P A 2 H13F H 0.721282 0.674332 1.136046 0.052 Uiso 0.233(2) 1 calc R U P A 2 C14A C 0.8435(7) 0.7583(4) 1.0129(4) 0.0372(12) Uani 0.233(2) 1 d D . P A 2 H14D H 0.904807 0.794953 1.081199 0.056 Uiso 0.233(2) 1 calc R U P A 2 H14E H 0.761267 0.790340 1.003693 0.056 Uiso 0.233(2) 1 calc R U P A 2 H14F H 0.906553 0.770682 0.967466 0.056 Uiso 0.233(2) 1 calc R U P A 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 P1 0.01094(9) 0.01225(9) 0.01044(9) 0.00259(6) 0.00192(6) 0.00582(7) O1 0.0147(2) 0.0124(2) 0.0126(2) 0.00168(19) 0.00037(19) 0.0066(2) O2 0.0144(2) 0.0170(3) 0.0105(2) 0.00129(19) 0.00103(19) 0.0088(2) N1 0.0117(3) 0.0141(3) 0.0125(3) 0.0010(2) 0.0009(2) 0.0066(2) N2 0.0125(3) 0.0151(3) 0.0107(3) 0.0021(2) 0.0016(2) 0.0078(2) N3 0.0185(3) 0.0224(3) 0.0251(4) 0.0102(3) 0.0069(3) 0.0088(3) C1 0.0127(3) 0.0117(3) 0.0133(3) 0.0026(2) 0.0029(2) 0.0047(2) C2 0.0136(3) 0.0137(3) 0.0146(3) 0.0030(3) 0.0014(3) 0.0049(3) C3 0.0153(3) 0.0122(3) 0.0141(3) 0.0019(3) 0.0011(3) 0.0034(3) C4 0.0169(3) 0.0117(3) 0.0168(3) 0.0015(3) 0.0023(3) 0.0047(3) C5 0.0138(3) 0.0109(3) 0.0168(3) 0.0037(3) 0.0029(3) 0.0047(2) C6 0.0129(3) 0.0115(3) 0.0126(3) 0.0027(2) 0.0015(2) 0.0039(2) C7 0.0167(3) 0.0125(3) 0.0222(4) 0.0022(3) 0.0000(3) 0.0073(3) C8 0.0153(4) 0.0250(4) 0.0325(5) 0.0076(4) 0.0051(3) 0.0081(3) C9 0.0372(6) 0.0231(5) 0.0392(6) -0.0077(4) -0.0095(4) 0.0216(4) C10 0.0280(5) 0.0252(4) 0.0348(5) 0.0185(4) 0.0029(4) 0.0103(4) C11 0.0227(4) 0.0165(4) 0.0162(4) 0.0014(3) -0.0028(3) 0.0039(3) C15 0.0117(3) 0.0143(3) 0.0134(3) 0.0044(3) 0.0038(2) 0.0062(2) C16 0.0123(3) 0.0200(4) 0.0163(3) 0.0027(3) 0.0019(3) 0.0069(3) C17 0.0136(3) 0.0258(4) 0.0186(4) 0.0047(3) 0.0024(3) 0.0106(3) C18 0.0166(4) 0.0247(4) 0.0184(4) 0.0051(3) 0.0041(3) 0.0133(3) C19 0.0164(3) 0.0189(3) 0.0148(3) 0.0038(3) 0.0033(3) 0.0102(3) C20 0.0115(3) 0.0148(3) 0.0123(3) 0.0048(3) 0.0028(2) 0.0060(2) C21 0.0129(3) 0.0134(3) 0.0103(3) 0.0033(2) 0.0022(2) 0.0053(2) C22 0.0153(3) 0.0149(3) 0.0123(3) 0.0039(3) 0.0040(3) 0.0070(3) C23 0.0164(3) 0.0136(3) 0.0112(3) 0.0038(2) 0.0043(3) 0.0053(3) C24 0.0155(3) 0.0164(3) 0.0110(3) 0.0035(3) 0.0022(3) 0.0051(3) C25 0.0121(3) 0.0153(3) 0.0121(3) 0.0046(3) 0.0023(2) 0.0048(3) C26 0.0134(3) 0.0135(3) 0.0108(3) 0.0027(2) 0.0030(2) 0.0058(2) C27 0.0128(3) 0.0196(3) 0.0137(3) 0.0061(3) 0.0021(3) 0.0073(3) C28 0.0143(3) 0.0298(4) 0.0216(4) 0.0115(3) 0.0063(3) 0.0085(3) C29 0.0193(4) 0.0338(5) 0.0160(4) 0.0042(3) -0.0017(3) 0.0124(3) C30 0.0196(4) 0.0215(4) 0.0244(4) 0.0112(3) 0.0039(3) 0.0098(3) C31 0.0208(4) 0.0142(3) 0.0116(3) 0.0036(3) 0.0053(3) 0.0072(3) C32 0.0255(4) 0.0202(4) 0.0230(4) 0.0044(3) 0.0142(3) 0.0076(3) C33 0.0396(5) 0.0291(4) 0.0109(3) 0.0044(3) 0.0049(3) 0.0197(4) C34 0.0269(4) 0.0146(3) 0.0196(4) 0.0056(3) 0.0066(3) 0.0067(3) C35 0.0125(3) 0.0146(3) 0.0144(3) 0.0030(3) 0.0017(2) 0.0070(3) C12 0.0195(6) 0.0336(7) 0.0253(6) 0.0006(5) -0.0043(4) -0.0008(5) C13 0.0389(7) 0.0313(7) 0.0174(5) 0.0091(5) -0.0006(5) 0.0032(5) C14 0.0493(9) 0.0277(7) 0.0215(6) -0.0084(5) -0.0072(6) 0.0215(7) C12A 0.040(3) 0.044(3) 0.021(2) -0.0100(18) -0.0134(18) 0.028(2) C13A 0.030(2) 0.051(3) 0.0140(17) 0.0039(17) 0.0052(15) 0.004(2) C14A 0.041(3) 0.022(2) 0.028(2) 0.0001(16) -0.009(2) -0.0061(18) 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 P1 O1 1.6440(6) . ? P1 O2 1.6390(6) . ? P1 N1 1.7161(7) . ? P1 N2 1.7099(7) . ? P1 C35 1.8195(8) . ? O1 C6 1.3860(9) . ? O2 C26 1.3822(9) . ? N1 C1 1.4019(9) . ? N1 C15 1.3976(9) . ? N2 C20 1.4062(9) . ? N2 C21 1.4085(9) . ? N3 C35 1.1481(11) . ? C1 C2 1.3876(10) . ? C1 C6 1.3955(10) . ? C2 H2 0.9500 . ? C2 C3 1.4022(10) . ? C3 C4 1.3998(11) . ? C3 C11 1.5352(11) . ? C4 H4 0.9500 . ? C4 C5 1.4071(11) . ? C5 C6 1.3875(10) . ? C5 C7 1.5307(11) . ? C7 C8 1.5392(13) . ? C7 C9 1.5298(12) . ? C7 C10 1.5415(14) . ? 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 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 C12 1.5691(17) . ? C11 C13 1.5213(16) . ? C11 C14 1.4988(15) . ? C11 C12A 1.443(4) . ? C11 C13A 1.676(4) . ? C11 C14A 1.548(5) . ? C15 C16 1.3885(10) . ? C15 C20 1.4063(10) . ? C16 H16 0.9500 . ? C16 C17 1.3958(11) . ? C17 H17 0.9500 . ? C17 C18 1.3877(12) . ? C18 H18 0.9500 . ? C18 C19 1.3982(11) . ? C19 H19 0.9500 . ? C19 C20 1.3874(10) . ? C21 C22 1.3876(10) . ? C21 C26 1.3955(10) . ? C22 H22 0.9500 . ? C22 C23 1.4048(10) . ? C23 C24 1.3977(11) . ? C23 C31 1.5354(11) . ? C24 H24 0.9500 . ? C24 C25 1.4066(10) . ? C25 C26 1.3858(10) . ? C25 C27 1.5308(11) . ? C27 C28 1.5411(11) . ? C27 C29 1.5346(11) . ? C27 C30 1.5410(12) . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31 C32 1.5393(12) . ? C31 C33 1.5294(12) . ? C31 C34 1.5361(11) . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C33 H33A 0.9800 . ? C33 H33B 0.9800 . ? C33 H33C 0.9800 . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C12A H12D 0.9800 . ? C12A H12E 0.9800 . ? C12A H12F 0.9800 . ? C13A H13D 0.9800 . ? C13A H13E 0.9800 . ? C13A H13F 0.9800 . ? C14A H14D 0.9800 . ? C14A H14E 0.9800 . ? C14A H14F 0.9800 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 P1 N1 89.52(3) . . ? O1 P1 N2 156.84(3) . . ? O1 P1 C35 99.18(3) . . ? O2 P1 O1 86.07(3) . . ? O2 P1 N1 163.19(3) . . ? O2 P1 N2 90.07(3) . . ? O2 P1 C35 97.51(3) . . ? N1 P1 C35 99.21(4) . . ? N2 P1 N1 87.63(3) . . ? N2 P1 C35 103.96(4) . . ? C6 O1 P1 113.45(5) . . ? C26 O2 P1 115.07(5) . . ? C1 N1 P1 112.61(5) . . ? C15 N1 P1 116.11(5) . . ? C15 N1 C1 131.27(7) . . ? C20 N2 P1 115.72(5) . . ? C20 N2 C21 129.62(6) . . ? C21 N2 P1 113.84(5) . . ? C2 C1 N1 131.19(7) . . ? C2 C1 C6 120.44(7) . . ? C6 C1 N1 108.32(6) . . ? C1 C2 H2 120.8 . . ? C1 C2 C3 118.49(7) . . ? C3 C2 H2 120.8 . . ? C2 C3 C11 119.17(7) . . ? C4 C3 C2 119.17(7) . . ? C4 C3 C11 121.66(7) . . ? C3 C4 H4 118.1 . . ? C3 C4 C5 123.70(7) . . ? C5 C4 H4 118.1 . . ? C4 C5 C7 123.85(7) . . ? C6 C5 C4 114.64(7) . . ? C6 C5 C7 121.52(7) . . ? O1 C6 C1 112.47(6) . . ? O1 C6 C5 124.09(7) . . ? C5 C6 C1 123.44(7) . . ? C5 C7 C8 110.04(7) . . ? C5 C7 C10 109.54(7) . . ? C8 C7 C10 109.59(8) . . ? C9 C7 C5 111.20(7) . . ? C9 C7 C8 108.36(8) . . ? C9 C7 C10 108.07(8) . . ? 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 . . ? C7 C10 H10A 109.5 . . ? C7 C10 H10B 109.5 . . ? C7 C10 H10C 109.5 . . ? H10A C10 H10B 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C3 C11 C12 108.00(8) . . ? C3 C11 C13A 107.50(17) . . ? C3 C11 C14A 110.77(19) . . ? C13 C11 C3 109.09(8) . . ? C13 C11 C12 107.62(10) . . ? C14 C11 C3 113.13(8) . . ? C14 C11 C12 107.56(11) . . ? C14 C11 C13 111.22(11) . . ? C12A C11 C3 118.58(18) . . ? C12A C11 C13A 105.4(3) . . ? C12A C11 C14A 111.8(3) . . ? C14A C11 C13A 101.0(3) . . ? N1 C15 C20 110.01(6) . . ? C16 C15 N1 129.24(7) . . ? C16 C15 C20 120.74(7) . . ? C15 C16 H16 120.8 . . ? C15 C16 C17 118.48(7) . . ? C17 C16 H16 120.8 . . ? C16 C17 H17 119.6 . . ? C18 C17 C16 120.76(8) . . ? C18 C17 H17 119.6 . . ? C17 C18 H18 119.5 . . ? C17 C18 C19 120.95(7) . . ? C19 C18 H18 119.5 . . ? C18 C19 H19 120.8 . . ? C20 C19 C18 118.49(7) . . ? C20 C19 H19 120.8 . . ? N2 C20 C15 110.26(6) . . ? C19 C20 N2 129.25(7) . . ? C19 C20 C15 120.49(7) . . ? C22 C21 N2 131.11(7) . . ? C22 C21 C26 120.31(7) . . ? C26 C21 N2 108.45(6) . . ? C21 C22 H22 120.8 . . ? C21 C22 C23 118.36(7) . . ? C23 C22 H22 120.8 . . ? C22 C23 C31 118.98(7) . . ? C24 C23 C22 119.32(7) . . ? C24 C23 C31 121.69(7) . . ? C23 C24 H24 118.2 . . ? C23 C24 C25 123.65(7) . . ? C25 C24 H24 118.2 . . ? C24 C25 C27 123.52(7) . . ? C26 C25 C24 114.58(7) . . ? C26 C25 C27 121.89(7) . . ? O2 C26 C21 112.43(6) . . ? O2 C26 C25 123.72(7) . . ? C25 C26 C21 123.73(7) . . ? C25 C27 C28 109.62(6) . . ? C25 C27 C29 111.48(7) . . ? C25 C27 C30 109.66(6) . . ? C29 C27 C28 107.91(7) . . ? C29 C27 C30 108.24(7) . . ? C30 C27 C28 109.90(7) . . ? C27 C28 H28A 109.5 . . ? C27 C28 H28B 109.5 . . ? C27 C28 H28C 109.5 . . ? H28A C28 H28B 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C27 C29 H29A 109.5 . . ? C27 C29 H29B 109.5 . . ? C27 C29 H29C 109.5 . . ? H29A C29 H29B 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C27 C30 H30A 109.5 . . ? C27 C30 H30B 109.5 . . ? C27 C30 H30C 109.5 . . ? H30A C30 H30B 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C23 C31 C32 109.84(7) . . ? C23 C31 C34 109.82(6) . . ? C33 C31 C23 111.58(7) . . ? C33 C31 C32 108.24(7) . . ? C33 C31 C34 108.64(7) . . ? C34 C31 C32 108.66(7) . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? C31 C32 H32C 109.5 . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C31 C33 H33A 109.5 . . ? C31 C33 H33B 109.5 . . ? C31 C33 H33C 109.5 . . ? H33A C33 H33B 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? C31 C34 H34A 109.5 . . ? C31 C34 H34B 109.5 . . ? C31 C34 H34C 109.5 . . ? H34A C34 H34B 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? N3 C35 P1 176.43(7) . . ? C11 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? C11 C12 H12C 109.5 . . ? H12A C12 H12B 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C11 C13 H13A 109.5 . . ? C11 C13 H13B 109.5 . . ? C11 C13 H13C 109.5 . . ? H13A C13 H13B 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C11 C14 H14A 109.5 . . ? C11 C14 H14B 109.5 . . ? C11 C14 H14C 109.5 . . ? H14A C14 H14B 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C11 C12A H12D 109.5 . . ? C11 C12A H12E 109.5 . . ? C11 C12A H12F 109.5 . . ? H12D C12A H12E 109.5 . . ? H12D C12A H12F 109.5 . . ? H12E C12A H12F 109.5 . . ? C11 C13A H13D 109.5 . . ? C11 C13A H13E 109.5 . . ? C11 C13A H13F 109.5 . . ? H13D C13A H13E 109.5 . . ? H13D C13A H13F 109.5 . . ? H13E C13A H13F 109.5 . . ? C11 C14A H14D 109.5 . . ? C11 C14A H14E 109.5 . . ? C11 C14A H14F 109.5 . . ? H14D C14A H14E 109.5 . . ? H14D C14A H14F 109.5 . . ? H14E C14A H14F 109.5 . . ? 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 P1 O1 C6 C1 12.20(8) . . . . ? P1 O1 C6 C5 -168.31(6) . . . . ? P1 O2 C26 C21 -3.77(8) . . . . ? P1 O2 C26 C25 180.00(6) . . . . ? P1 N1 C1 C2 163.62(7) . . . . ? P1 N1 C1 C6 -13.74(8) . . . . ? P1 N1 C15 C16 -179.50(7) . . . . ? P1 N1 C15 C20 1.92(8) . . . . ? P1 N2 C20 C15 -4.94(8) . . . . ? P1 N2 C20 C19 174.78(7) . . . . ? P1 N2 C21 C22 176.58(7) . . . . ? P1 N2 C21 C26 0.65(8) . . . . ? O1 P1 O2 C26 160.58(6) . . . . ? O1 P1 N1 C1 17.72(6) . . . . ? O1 P1 N1 C15 -160.93(6) . . . . ? O1 P1 N2 C20 88.23(9) . . . . ? O1 P1 N2 C21 -82.44(10) . . . . ? O2 P1 O1 C6 179.41(5) . . . . ? O2 P1 N1 C1 92.37(12) . . . . ? O2 P1 N1 C15 -86.27(12) . . . . ? O2 P1 N2 C20 168.36(6) . . . . ? O2 P1 N2 C21 -2.32(6) . . . . ? N1 P1 O1 C6 -16.82(5) . . . . ? N1 P1 O2 C26 85.44(12) . . . . ? N1 P1 N2 C20 5.02(6) . . . . ? N1 P1 N2 C21 -165.66(6) . . . . ? N1 C1 C2 C3 -179.01(8) . . . . ? N1 C1 C6 O1 1.35(9) . . . . ? N1 C1 C6 C5 -178.15(7) . . . . ? N1 C15 C16 C17 178.24(8) . . . . ? N1 C15 C20 N2 1.82(9) . . . . ? N1 C15 C20 C19 -177.93(7) . . . . ? N2 P1 O1 C6 -99.65(9) . . . . ? N2 P1 O2 C26 3.44(6) . . . . ? N2 P1 N1 C1 174.73(6) . . . . ? N2 P1 N1 C15 -3.92(6) . . . . ? N2 C21 C22 C23 -175.50(8) . . . . ? N2 C21 C26 O2 1.84(9) . . . . ? N2 C21 C26 C25 178.07(7) . . . . ? C1 N1 C15 C16 2.16(14) . . . . ? C1 N1 C15 C20 -176.41(8) . . . . ? C1 C2 C3 C4 -0.86(12) . . . . ? C1 C2 C3 C11 178.31(7) . . . . ? C2 C1 C6 O1 -176.34(7) . . . . ? C2 C1 C6 C5 4.16(12) . . . . ? C2 C3 C4 C5 1.73(13) . . . . ? C2 C3 C11 C12 52.94(11) . . . . ? C2 C3 C11 C13 -63.76(11) . . . . ? C2 C3 C11 C14 171.87(11) . . . . ? C2 C3 C11 C12A -1.8(3) . . . . ? C2 C3 C11 C13A -121.1(2) . . . . ? C2 C3 C11 C14A 129.4(3) . . . . ? C3 C4 C5 C6 0.25(12) . . . . ? C3 C4 C5 C7 -179.45(8) . . . . ? C4 C3 C11 C12 -127.91(10) . . . . ? C4 C3 C11 C13 115.40(10) . . . . ? C4 C3 C11 C14 -8.97(14) . . . . ? C4 C3 C11 C12A 177.4(3) . . . . ? C4 C3 C11 C13A 58.0(2) . . . . ? C4 C3 C11 C14A -51.5(3) . . . . ? C4 C5 C6 O1 177.37(7) . . . . ? C4 C5 C6 C1 -3.20(11) . . . . ? C4 C5 C7 C8 -116.83(9) . . . . ? C4 C5 C7 C9 3.24(12) . . . . ? C4 C5 C7 C10 122.63(9) . . . . ? C6 C1 C2 C3 -1.92(12) . . . . ? C6 C5 C7 C8 63.48(10) . . . . ? C6 C5 C7 C9 -176.44(9) . . . . ? C6 C5 C7 C10 -57.05(10) . . . . ? C7 C5 C6 O1 -2.92(12) . . . . ? C7 C5 C6 C1 176.51(7) . . . . ? C11 C3 C4 C5 -177.42(8) . . . . ? C15 N1 C1 C2 -18.00(14) . . . . ? C15 N1 C1 C6 164.65(8) . . . . ? C15 C16 C17 C18 0.92(13) . . . . ? C16 C15 C20 N2 -176.89(7) . . . . ? C16 C15 C20 C19 3.36(12) . . . . ? C16 C17 C18 C19 1.50(14) . . . . ? C17 C18 C19 C20 -1.49(13) . . . . ? C18 C19 C20 N2 179.40(8) . . . . ? C18 C19 C20 C15 -0.91(12) . . . . ? C20 N2 C21 C22 7.51(14) . . . . ? C20 N2 C21 C26 -168.43(7) . . . . ? C20 C15 C16 C17 -3.32(12) . . . . ? C21 N2 C20 C15 163.96(7) . . . . ? C21 N2 C20 C19 -16.32(14) . . . . ? C21 C22 C23 C24 -1.89(11) . . . . ? C21 C22 C23 C31 177.47(7) . . . . ? C22 C21 C26 O2 -174.61(7) . . . . ? C22 C21 C26 C25 1.62(12) . . . . ? C22 C23 C24 C25 2.33(12) . . . . ? C22 C23 C31 C32 -47.70(10) . . . . ? C22 C23 C31 C33 -167.74(8) . . . . ? C22 C23 C31 C34 71.74(9) . . . . ? C23 C24 C25 C26 -0.76(11) . . . . ? C23 C24 C25 C27 178.45(7) . . . . ? C24 C23 C31 C32 131.63(8) . . . . ? C24 C23 C31 C33 11.60(11) . . . . ? C24 C23 C31 C34 -108.92(8) . . . . ? C24 C25 C26 O2 174.58(7) . . . . ? C24 C25 C26 C21 -1.23(11) . . . . ? C24 C25 C27 C28 122.85(8) . . . . ? C24 C25 C27 C29 3.43(11) . . . . ? C24 C25 C27 C30 -116.42(8) . . . . ? C26 C21 C22 C23 0.03(11) . . . . ? C26 C25 C27 C28 -58.00(10) . . . . ? C26 C25 C27 C29 -177.41(7) . . . . ? C26 C25 C27 C30 62.74(9) . . . . ? C27 C25 C26 O2 -4.65(12) . . . . ? C27 C25 C26 C21 179.55(7) . . . . ? C31 C23 C24 C25 -177.00(7) . . . . ? C35 P1 O1 C6 82.43(6) . . . . ? C35 P1 O2 C26 -100.66(6) . . . . ? C35 P1 N1 C1 -81.51(6) . . . . ? C35 P1 N1 C15 99.85(6) . . . . ? C35 P1 N2 C20 -93.88(6) . . . . ? C35 P1 N2 C21 95.44(6) . . . . ? _shelx_res_file ; TITL mo_1292_sk_0m_a.res in P-1 mo_1292_sk_0m.res created by SHELXL-2018/3 at 11:26:41 on 02-Mar-2021 REM Old TITL mo_1292_SK_0m in P-1 REM SHELXT solution in P-1 REM R1 0.183, Rweak 0.019, Alpha 0.058, Orientation as input REM Formula found by SHELXT: C35 N2 O3 P CELL 0.71073 9.4599 13.0637 14.5931 106.884 99.09 104.437 ZERR 2 0.0012 0.0017 0.0017 0.004 0.004 0.004 LATT 1 SFAC C H N O P UNIT 70 88 6 4 2 SADI C11 C12 C11 C12a SADI C11 C14 C11 C14a SADI C11 C13 C11 C13a L.S. 4 0 0 PLAN 8 TEMP -173.15 CONF BOND $H list 4 MORE -1 fmap 2 53 ACTA REM REM REM WGHT 0.044900 0.532100 FVAR 0.65404 0.76748 P1 5 0.439647 0.268978 0.563650 11.00000 0.01094 0.01225 = 0.01044 0.00259 0.00192 0.00582 O1 4 0.405214 0.389434 0.603185 11.00000 0.01465 0.01240 = 0.01257 0.00168 0.00037 0.00660 O2 4 0.310052 0.240384 0.462931 11.00000 0.01436 0.01701 = 0.01054 0.00129 0.00103 0.00880 N1 3 0.605352 0.323868 0.653909 11.00000 0.01170 0.01410 = 0.01254 0.00101 0.00088 0.00662 N2 3 0.516647 0.174568 0.499355 11.00000 0.01253 0.01509 = 0.01072 0.00213 0.00163 0.00781 N3 3 0.254712 0.139657 0.663488 11.00000 0.01854 0.02240 = 0.02507 0.01022 0.00694 0.00877 C1 1 0.609344 0.420396 0.729588 11.00000 0.01272 0.01168 = 0.01334 0.00255 0.00290 0.00472 C2 1 0.702381 0.475136 0.824352 11.00000 0.01356 0.01371 = 0.01465 0.00304 0.00136 0.00486 AFIX 43 H2 2 0.780778 0.448470 0.847395 11.00000 -1.20000 AFIX 0 C3 1 0.678045 0.570705 0.885322 11.00000 0.01529 0.01220 = 0.01409 0.00191 0.00111 0.00335 C4 1 0.562774 0.608452 0.848400 11.00000 0.01687 0.01166 = 0.01682 0.00150 0.00233 0.00475 AFIX 43 H4 2 0.549547 0.674529 0.889974 11.00000 -1.20000 AFIX 0 C5 1 0.465382 0.554055 0.753182 11.00000 0.01380 0.01088 = 0.01676 0.00371 0.00291 0.00467 C6 1 0.491575 0.458032 0.697256 11.00000 0.01295 0.01148 = 0.01258 0.00270 0.00155 0.00391 C7 1 0.340098 0.595657 0.712242 11.00000 0.01672 0.01250 = 0.02215 0.00223 0.00003 0.00730 C8 1 0.185390 0.507775 0.691140 11.00000 0.01531 0.02496 = 0.03253 0.00764 0.00512 0.00813 AFIX 137 H8A 2 0.181780 0.436547 0.642758 11.00000 -1.50000 H8B 2 0.105964 0.534909 0.664638 11.00000 -1.50000 H8C 2 0.169926 0.495914 0.752590 11.00000 -1.50000 AFIX 0 C9 1 0.341143 0.706669 0.785774 11.00000 0.03718 0.02307 = 0.03921 -0.00773 -0.00951 0.02155 AFIX 137 H9A 2 0.323589 0.695334 0.847040 11.00000 -1.50000 H9B 2 0.261405 0.732143 0.757165 11.00000 -1.50000 H9C 2 0.439104 0.763645 0.800223 11.00000 -1.50000 AFIX 0 C10 1 0.363757 0.615765 0.615995 11.00000 0.02797 0.02515 = 0.03476 0.01851 0.00289 0.01025 AFIX 137 H10A 2 0.463953 0.669427 0.629004 11.00000 -1.50000 H10B 2 0.286743 0.646329 0.591812 11.00000 -1.50000 H10C 2 0.355617 0.544324 0.565980 11.00000 -1.50000 AFIX 0 C11 1 0.777089 0.630361 0.991358 11.00000 0.02268 0.01648 = 0.01621 0.00141 -0.00278 0.00392 C15 1 0.712641 0.268097 0.639275 11.00000 0.01170 0.01426 = 0.01343 0.00444 0.00381 0.00625 C16 1 0.854845 0.291920 0.698919 11.00000 0.01232 0.02004 = 0.01633 0.00275 0.00192 0.00691 AFIX 43 H16 2 0.893092 0.354983 0.758560 11.00000 -1.20000 AFIX 0 C17 1 0.940315 0.221093 0.669243 11.00000 0.01358 0.02582 = 0.01862 0.00470 0.00245 0.01056 AFIX 43 H17 2 1.037250 0.235482 0.709630 11.00000 -1.20000 AFIX 0 C18 1 0.885325 0.129903 0.581427 11.00000 0.01665 0.02474 = 0.01836 0.00514 0.00412 0.01330 AFIX 43 H18 2 0.944146 0.081607 0.563257 11.00000 -1.20000 AFIX 0 C19 1 0.744584 0.108082 0.519301 11.00000 0.01643 0.01888 = 0.01482 0.00376 0.00327 0.01018 AFIX 43 H19 2 0.708262 0.046628 0.458482 11.00000 -1.20000 AFIX 0 C20 1 0.659187 0.178225 0.548502 11.00000 0.01149 0.01476 = 0.01227 0.00480 0.00280 0.00600 C21 1 0.437106 0.117407 0.399644 11.00000 0.01290 0.01342 = 0.01029 0.00335 0.00217 0.00529 C22 1 0.466946 0.039862 0.323623 11.00000 0.01533 0.01485 = 0.01232 0.00389 0.00396 0.00703 AFIX 43 H22 2 0.549887 0.012786 0.335659 11.00000 -1.20000 AFIX 0 C23 1 0.371481 0.002382 0.228422 11.00000 0.01636 0.01358 = 0.01120 0.00383 0.00434 0.00525 C24 1 0.247878 0.041405 0.213900 11.00000 0.01549 0.01641 = 0.01100 0.00353 0.00225 0.00513 AFIX 43 H24 2 0.182373 0.013004 0.149555 11.00000 -1.20000 AFIX 0 C25 1 0.215084 0.120390 0.289262 11.00000 0.01213 0.01532 = 0.01210 0.00464 0.00234 0.00477 C26 1 0.314898 0.156546 0.381089 11.00000 0.01336 0.01348 = 0.01083 0.00272 0.00304 0.00576 C27 1 0.081818 0.165133 0.272571 11.00000 0.01283 0.01963 = 0.01370 0.00609 0.00210 0.00725 C28 1 -0.019239 0.141553 0.341975 11.00000 0.01431 0.02980 = 0.02161 0.01148 0.00626 0.00855 AFIX 137 H28A 2 -0.054385 0.060414 0.329521 11.00000 -1.50000 H28B 2 -0.106165 0.168100 0.329676 11.00000 -1.50000 H28C 2 0.038569 0.181150 0.410862 11.00000 -1.50000 AFIX 0 C29 1 -0.015013 0.107786 0.165857 11.00000 0.01930 0.03384 = 0.01605 0.00416 -0.00171 0.01243 AFIX 137 H29A 2 0.046766 0.121914 0.120193 11.00000 -1.50000 H29B 2 -0.098978 0.138322 0.157553 11.00000 -1.50000 H29C 2 -0.054664 0.026498 0.151676 11.00000 -1.50000 AFIX 0 C30 1 0.140492 0.292787 0.293087 11.00000 0.01962 0.02151 = 0.02436 0.01119 0.00392 0.00980 AFIX 137 H30A 2 0.197781 0.331448 0.362177 11.00000 -1.50000 H30B 2 0.055042 0.320824 0.280650 11.00000 -1.50000 H30C 2 0.205966 0.307273 0.249482 11.00000 -1.50000 AFIX 0 C31 1 0.406844 -0.079622 0.142677 11.00000 0.02083 0.01424 = 0.01156 0.00357 0.00528 0.00724 C32 1 0.574650 -0.036912 0.144402 11.00000 0.02551 0.02017 = 0.02298 0.00441 0.01416 0.00758 AFIX 137 H32A 2 0.599297 0.039755 0.142462 11.00000 -1.50000 H32B 2 0.594953 -0.086548 0.086803 11.00000 -1.50000 H32C 2 0.636534 -0.036751 0.205041 11.00000 -1.50000 AFIX 0 C33 1 0.313178 -0.091277 0.042513 11.00000 0.03964 0.02910 = 0.01095 0.00437 0.00488 0.01971 AFIX 137 H33A 2 0.206305 -0.126184 0.037120 11.00000 -1.50000 H33B 2 0.345012 -0.138509 -0.010580 11.00000 -1.50000 H33C 2 0.328197 -0.016605 0.036816 11.00000 -1.50000 AFIX 0 C34 1 0.373116 -0.196366 0.153173 11.00000 0.02692 0.01462 = 0.01960 0.00559 0.00657 0.00668 AFIX 137 H34A 2 0.436955 -0.190862 0.215347 11.00000 -1.50000 H34B 2 0.394007 -0.248710 0.097592 11.00000 -1.50000 H34C 2 0.266870 -0.224003 0.153278 11.00000 -1.50000 AFIX 0 C35 1 0.322288 0.190450 0.623599 11.00000 0.01252 0.01463 = 0.01437 0.00299 0.00169 0.00696 PART 1 C12 1 0.946262 0.656900 0.986309 21.00000 0.01946 0.03356 = 0.02528 0.00057 -0.00427 -0.00076 AFIX 137 H12A 2 1.011790 0.696144 1.053237 21.00000 -1.50000 H12B 2 0.965724 0.704765 0.946042 21.00000 -1.50000 H12C 2 0.966928 0.586365 0.956494 21.00000 -1.50000 AFIX 0 C13 1 0.749835 0.550642 1.049351 21.00000 0.03889 0.03135 = 0.01740 0.00910 -0.00062 0.00321 AFIX 137 H13A 2 0.768159 0.480585 1.014819 21.00000 -1.50000 H13B 2 0.645363 0.533908 1.055070 21.00000 -1.50000 H13C 2 0.818425 0.586079 1.115524 21.00000 -1.50000 AFIX 0 C14 1 0.753159 0.739704 1.042721 21.00000 0.04932 0.02765 = 0.02153 -0.00845 -0.00724 0.02146 AFIX 137 H14A 2 0.824749 0.776715 1.107764 21.00000 -1.50000 H14B 2 0.650010 0.725283 1.050932 21.00000 -1.50000 H14C 2 0.769073 0.788609 1.003051 21.00000 -1.50000 AFIX 0 PART 2 C12A 1 0.889494 0.583849 1.025750 -21.00000 0.03950 0.04440 = 0.02106 -0.01005 -0.01344 0.02786 AFIX 137 H12D 2 0.967383 0.590675 0.988896 -21.00000 -1.50000 H12E 2 0.841984 0.504232 1.015336 -21.00000 -1.50000 H12F 2 0.935450 0.625055 1.096372 -21.00000 -1.50000 AFIX 0 C13A 1 0.662712 0.629396 1.068122 -21.00000 0.02978 0.05080 = 0.01401 0.00390 0.00521 0.00373 AFIX 137 H13D 2 0.615721 0.551753 1.063897 -21.00000 -1.50000 H13E 2 0.584268 0.661538 1.049299 -21.00000 -1.50000 H13F 2 0.721282 0.674332 1.136046 -21.00000 -1.50000 AFIX 0 C14A 1 0.843524 0.758324 1.012906 -21.00000 0.04055 0.02163 = 0.02798 0.00009 -0.00912 -0.00607 AFIX 137 H14D 2 0.904807 0.794953 1.081199 -21.00000 -1.50000 H14E 2 0.761267 0.790340 1.003693 -21.00000 -1.50000 H14F 2 0.906553 0.770682 0.967466 -21.00000 -1.50000 AFIX 0 HKLF 4 REM mo_1292_sk_0m_a.res in P-1 REM wR2 = 0.089975, GooF = S = 1.04983, Restrained GooF = 1.05527 for all data REM R1 = 0.032207 for 9158 Fo > 4sig(Fo) and 0.034938 for all 9896 data REM 413 parameters refined using 3 restraints END WGHT 0.0450 0.5316 REM Highest difference peak 0.502, deepest hole -0.312, 1-sigma level 0.044 Q1 1 0.6847 0.2209 0.5948 11.00000 0.05 0.50 Q2 1 0.2620 0.1396 0.3352 11.00000 0.05 0.48 Q3 1 0.3785 0.1394 0.3889 11.00000 0.05 0.47 Q4 1 0.4151 0.0206 0.2780 11.00000 0.05 0.44 Q5 1 0.4726 0.5068 0.7238 11.00000 0.05 0.43 Q6 1 0.5475 0.4365 0.7168 11.00000 0.05 0.43 Q7 1 0.8983 0.2609 0.6823 11.00000 0.05 0.42 Q8 1 0.4531 0.0804 0.3642 11.00000 0.05 0.42 ; _shelx_res_checksum 9166 _shelx_hkl_file ; -1 0 0 6658.10 111.534 1 1 0 0 6362.10 110.726 1 -2 0 0 81.1116 1.91300 4 -2 0 0 87.1079 2.09555 10 -2 0 0 83.2660 2.10074 10 -2 0 0 81.9277 2.00392 9 -2 0 0 86.3672 2.04426 3 -2 0 0 85.7557 2.08591 8 -2 0 0 82.3855 1.91968 13 -2 0 0 82.3347 1.89247 2 2 0 0 84.6746 1.84143 11 2 0 0 81.8294 1.93270 2 2 0 0 86.0745 2.07683 10 2 0 0 86.1144 2.03799 9 2 0 0 82.8928 2.00230 3 2 0 0 83.9409 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0 281.161 5.10901 9 2 -2 0 288.858 4.93973 10 2 -2 0 285.532 4.57100 3 -2 2 0 276.772 4.99640 14 -2 2 0 288.492 5.09045 14 -2 2 0 290.504 4.57000 3 -2 2 0 281.985 5.00689 10 -2 2 0 259.612 4.63796 11 -2 2 0 281.910 4.97576 7 -2 2 0 292.323 4.96149 5 -2 2 0 288.057 4.84960 2 -2 2 0 286.298 4.79079 2 -2 2 0 290.906 4.95945 10 -2 2 0 277.467 4.98890 8 -2 2 0 286.442 4.80018 13 -2 2 0 273.268 5.07807 9 1 -2 0 286.972 4.65616 10 1 -2 0 282.285 4.71936 10 1 -2 0 285.577 4.66882 2 1 -2 0 279.061 4.62751 8 1 -2 0 291.299 4.52318 2 1 -2 0 289.811 4.69249 11 1 -2 0 288.748 4.68550 14 1 -2 0 295.416 4.94149 7 1 -2 0 287.272 4.91183 5 -1 2 0 283.377 4.73201 14 -1 2 0 284.172 4.69687 14 -1 2 0 285.157 4.66163 10 -1 2 0 286.934 4.61407 8 -1 2 0 292.211 4.72785 10 -1 2 0 277.400 4.68907 11 -1 2 0 294.302 4.92609 7 -1 2 0 293.279 4.60394 2 -1 2 0 287.308 4.92885 9 -1 2 0 288.130 4.46783 12 -1 2 0 289.513 4.90946 5 0 -2 0 462.123 7.25136 10 0 -2 0 454.716 7.27113 14 0 -2 0 467.886 7.47821 11 0 -2 0 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5 2 0 281.908 6.04399 4 5 2 0 283.877 6.48641 13 5 2 0 291.548 6.83097 14 5 2 0 274.684 6.83392 2 5 2 0 292.573 6.52843 9 5 2 0 294.066 6.89137 14 5 2 0 285.541 6.18057 2 5 2 0 277.934 7.22332 10 5 2 0 285.364 6.40876 8 5 2 0 282.304 7.02073 7 -6 -2 0 3.33436 0.96397 14 -6 -2 0 3.45183 0.90950 13 -6 -2 0 4.92270 1.05578 3 -6 -2 0 4.42160 0.98976 10 -6 -2 0 3.68847 0.87352 8 -6 -2 0 2.68024 0.79428 2 -6 -2 0 4.20320 1.07809 10 -6 -2 0 4.42926 1.14123 14 -6 -2 0 4.30671 1.00895 9 -6 -2 0 2.93886 0.78344 4 -6 -2 0 3.08334 0.76759 2 6 2 0 3.21056 0.83341 2 6 2 0 3.14856 0.95892 10 6 2 0 4.48179 0.93054 11 6 2 0 4.28371 1.02353 9 6 2 0 2.47666 0.71593 7 6 2 0 2.29801 0.84482 10 6 2 0 4.00234 0.92390 8 6 2 0 3.65783 0.92900 3 6 2 0 3.65648 0.90100 13 6 2 0 3.00320 0.72156 4 6 2 0 4.12922 0.81796 2 6 2 0 4.70576 1.14871 14 6 2 0 2.00563 0.89257 14 -7 -2 0 48.4690 2.63133 13 -7 -2 0 48.9001 2.36443 4 -7 -2 0 47.4467 2.90306 14 -7 -2 0 43.5399 2.80882 8 -7 -2 0 45.3578 2.69964 10 -7 -2 0 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17.8260 13 4 -3 0 1138.26 18.4056 10 -4 3 0 1156.35 18.1312 2 -4 3 0 1106.79 18.4162 8 -4 3 0 1133.51 17.8309 13 -4 3 0 1118.47 18.1525 7 -4 3 0 1113.62 18.2987 10 -4 3 0 1135.56 18.5624 14 -4 3 0 1103.39 17.6452 3 -4 3 0 1143.37 18.0242 5 -4 3 0 1118.52 18.4278 14 -4 3 0 1111.45 18.4405 9 -4 3 0 1133.84 18.4629 4 -4 3 0 1129.69 18.4018 10 -4 3 0 1151.36 18.0185 2 3 -3 0 160.672 3.65600 9 3 -3 0 160.688 2.89163 3 3 -3 0 161.694 3.48764 14 3 -3 0 165.002 3.15946 2 3 -3 0 168.646 3.54384 8 3 -3 0 159.686 3.51606 10 3 -3 0 162.985 2.87521 12 3 -3 0 161.692 3.23272 2 3 -3 0 163.454 3.44649 5 3 -3 0 161.308 3.58307 14 3 -3 0 165.038 2.89645 11 3 -3 0 164.538 3.41792 10 3 -3 0 162.899 3.52064 7 -3 3 0 160.660 3.65859 9 -3 3 0 160.163 2.92027 3 -3 3 0 159.926 3.44175 10 -3 3 0 163.083 3.54284 8 -3 3 0 164.917 2.87439 11 -3 3 0 161.665 3.43682 5 -3 3 0 161.274 3.24876 2 -3 3 0 160.754 3.33118 2 -3 3 0 152.290 3.48460 14 -3 3 0 165.905 3.64189 14 -3 3 0 158.564 3.50182 10 -3 3 0 161.290 3.48716 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3.64247 8 1 3 0 209.480 4.32345 13 1 3 0 210.726 3.78504 2 1 3 0 208.938 4.10824 14 1 3 0 209.213 4.25345 11 1 3 0 201.403 3.84014 2 1 3 0 205.859 3.32465 6 1 3 0 192.104 4.07702 3 1 3 0 202.654 3.98955 10 -2 -3 0 9.73079 0.76259 2 -2 -3 0 7.67986 0.91350 13 -2 -3 0 8.71299 1.07071 3 -2 -3 0 7.55650 0.80539 10 -2 -3 0 9.09349 0.73081 8 -2 -3 0 7.83762 0.69945 2 -2 -3 0 8.90044 0.75704 4 -2 -3 0 9.10951 0.90973 14 -2 -3 0 8.68608 0.48399 6 -2 -3 0 9.30541 0.88506 10 2 3 0 9.29387 0.86837 10 2 3 0 7.86847 0.84088 10 2 3 0 7.23767 0.96715 13 2 3 0 6.86905 0.78914 14 2 3 0 8.59282 0.91193 3 2 3 0 8.61071 0.72584 2 2 3 0 7.06170 0.78689 11 2 3 0 8.52068 0.73777 4 2 3 0 9.23720 0.87276 14 2 3 0 6.55353 0.68886 2 2 3 0 9.37017 0.88169 9 2 3 0 7.89048 0.69927 8 -3 -3 0 8.95412 0.64021 6 -3 -3 0 8.42982 1.06565 3 -3 -3 0 7.54958 0.78059 2 -3 -3 0 9.26590 1.03756 10 -3 -3 0 10.2241 0.89476 4 -3 -3 0 6.62224 0.77405 2 -3 -3 0 9.14380 1.04744 11 -3 -3 0 8.32424 1.02367 14 -3 -3 0 10.2214 1.11838 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173.582 5.03629 3 -5 -3 0 182.341 4.38649 4 -5 -3 0 177.537 4.95039 10 -5 -3 0 171.662 4.56662 2 -5 -3 0 182.468 5.14225 14 -5 -3 0 187.164 5.31517 14 -5 -3 0 175.870 5.04064 10 -5 -3 0 174.058 4.41498 2 -5 -3 0 183.067 4.80836 8 -5 -3 0 169.580 4.77077 9 -5 -3 0 175.893 5.66998 13 5 3 0 175.279 5.09788 14 5 3 0 177.347 4.76218 11 5 3 0 171.788 4.90322 10 5 3 0 174.828 4.70591 8 5 3 0 180.459 4.68595 2 5 3 0 175.338 4.97244 3 5 3 0 177.230 4.87457 9 5 3 0 175.985 4.56431 2 5 3 0 175.476 5.61756 10 5 3 0 176.194 4.42330 4 5 3 0 174.556 4.85853 13 5 3 0 191.415 5.30035 14 -6 -3 0 320.662 7.05164 4 -6 -3 0 318.869 7.94234 3 -6 -3 0 321.941 7.94563 10 -6 -3 0 312.860 7.69202 10 -6 -3 0 318.565 7.06300 2 -6 -3 0 332.357 8.03941 14 -6 -3 0 331.051 7.39439 2 -6 -3 0 328.530 8.61149 8 -6 -3 0 327.767 7.70865 13 -6 -3 0 331.368 9.13859 14 -6 -3 0 317.462 7.58052 9 6 3 0 328.541 7.81294 3 6 3 0 316.974 7.66244 9 6 3 0 322.186 7.31190 2 6 3 0 321.514 7.55720 7 6 3 0 315.203 7.80579 10 6 3 0 322.278 7.52613 8 6 3 0 331.726 8.14741 14 6 3 0 328.028 7.15148 4 6 3 0 320.510 7.37813 2 6 3 0 326.454 7.44699 11 6 3 0 323.712 8.09059 14 6 3 0 310.018 7.68949 10 -7 -3 0 126.767 4.55212 9 -7 -3 0 116.119 4.82606 14 -7 -3 0 129.676 4.02082 4 -7 -3 0 128.468 4.12161 2 -7 -3 0 127.499 4.56397 13 -7 -3 0 124.989 4.75266 14 -7 -3 0 128.294 3.74259 6 -7 -3 0 139.375 4.86620 10 7 3 0 131.012 4.38082 2 7 3 0 123.117 4.85448 14 7 3 0 119.837 4.39452 13 7 3 0 127.901 4.67545 3 7 3 0 111.930 4.42606 10 7 3 0 122.833 4.81697 14 7 3 0 129.595 4.71351 10 7 3 0 124.442 4.28402 11 -8 -3 0 9.55965 1.37595 4 -8 -3 0 7.73293 1.57605 10 -8 -3 0 11.0152 1.92464 14 -8 -3 0 9.71309 1.54883 2 -8 -3 0 11.5207 1.89504 9 -8 -3 0 8.27841 1.21016 6 -8 -3 0 10.7175 1.70296 13 8 3 0 9.20616 1.49564 2 8 3 0 8.79379 1.66382 10 8 3 0 8.60476 1.64978 3 8 3 0 9.49934 1.58194 4 8 3 0 10.3220 1.58739 11 8 3 0 8.68233 1.74106 14 8 3 0 9.68217 1.67658 14 -9 -3 0 3.15847 1.05289 4 -9 -3 0 2.49610 1.31980 10 -9 -3 0 3.12606 1.16685 13 -9 -3 0 3.05598 1.29292 9 -9 -3 0 5.38392 1.61524 14 -9 -3 0 4.32624 0.96987 6 -9 -3 0 3.45406 1.00600 6 9 3 0 3.09373 1.42207 3 9 3 0 3.10746 1.40951 14 9 3 0 3.43139 1.22026 2 9 3 0 2.97697 1.12156 11 9 3 0 3.93062 1.53865 10 -10 -3 0 15.5818 2.61030 14 -10 -3 0 14.7052 1.81528 6 -10 -3 0 20.9449 2.73704 13 -10 -3 0 11.6624 2.21414 10 -10 -3 0 18.8392 2.55681 9 -10 -3 0 16.2767 2.05139 4 10 3 0 14.5587 2.45981 14 10 3 0 16.7416 2.53948 10 10 3 0 17.8185 2.16533 11 10 3 0 17.3006 2.32144 2 10 3 0 14.2484 2.25749 3 -11 -3 0 -0.9477 1.14137 10 -11 -3 0 0.47096 0.89949 6 -11 -3 0 0.97205 1.08458 9 -11 -3 0 0.30328 1.03515 2 -11 -3 0 -0.9305 1.22451 14 -11 -3 0 -0.1321 0.97773 4 11 3 0 1.12547 1.47370 10 11 3 0 2.65767 1.35936 2 11 3 0 -0.0315 1.11303 3 11 3 0 -1.1441 1.14234 14 11 3 0 1.04834 1.09047 11 13 -4 0 20.4782 2.87915 10 13 -4 0 20.8173 2.44402 2 13 -4 0 22.8467 2.55728 3 -13 4 0 16.0549 2.93329 10 -13 4 0 16.2131 2.42523 9 -13 4 0 20.8023 2.60556 2 -13 4 0 20.0032 2.35039 13 -13 4 0 17.2368 2.54847 4 -13 4 0 18.1434 2.92176 14 12 -4 0 -0.0306 0.35708 11 12 -4 0 -0.1519 1.06868 10 12 -4 0 1.39226 1.06566 3 12 -4 0 3.02599 1.59395 14 12 -4 0 -0.0705 0.94205 2 -12 4 0 -0.1913 0.83185 2 -12 4 0 0.83927 1.26882 10 -12 4 0 -0.2943 0.93133 5 -12 4 0 0.06199 0.97631 9 -12 4 0 1.15377 0.90185 13 -12 4 0 -2.8900 0.99500 14 -12 4 0 0.39065 1.00697 4 11 -4 0 14.9035 1.16113 11 11 -4 0 12.0521 1.05964 11 11 -4 0 13.4315 1.73967 3 11 -4 0 12.9770 2.63326 14 11 -4 0 12.8307 2.14896 10 -11 4 0 16.8717 2.34490 10 -11 4 0 16.7993 1.65559 5 -11 4 0 17.7064 2.24687 2 -11 4 0 11.8395 2.16842 14 -11 4 0 14.6355 2.47685 14 -11 4 0 18.2851 2.34688 4 -11 4 0 15.6767 1.88042 13 -11 4 0 14.3928 2.17909 9 10 -4 0 112.798 4.01763 3 10 -4 0 101.258 2.78747 11 10 -4 0 112.334 4.80465 10 10 -4 0 110.470 4.93486 14 10 -4 0 99.2953 3.70267 13 10 -4 0 106.261 2.97971 11 10 -4 0 109.239 4.13341 2 -10 4 0 109.190 3.92532 13 -10 4 0 96.8246 4.14363 2 -10 4 0 104.455 4.96576 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511.798 8.07689 12 4 -4 0 508.360 8.61310 2 4 -4 0 503.408 8.93937 5 4 -4 0 508.146 9.05184 14 4 -4 0 499.384 9.10263 7 -4 4 0 503.358 9.29996 9 -4 4 0 501.865 8.70272 2 -4 4 0 491.145 9.06992 10 -4 4 0 504.236 8.64800 13 -4 4 0 494.024 9.07792 8 -4 4 0 492.200 9.11112 14 -4 4 0 503.691 9.23006 14 -4 4 0 494.667 8.94345 5 -4 4 0 519.578 9.03046 10 -4 4 0 516.402 9.08192 7 -4 4 0 500.022 8.15262 3 -4 4 0 509.952 8.83811 2 3 -4 0 5.07477 0.65528 10 3 -4 0 5.32820 0.49993 11 3 -4 0 3.54977 0.61420 9 3 -4 0 4.30763 0.58089 14 3 -4 0 3.98943 0.46317 2 3 -4 0 4.51670 0.60645 8 3 -4 0 5.23431 0.49732 2 3 -4 0 3.76810 0.61726 5 3 -4 0 5.09537 0.73708 7 -3 4 0 4.47847 0.59664 10 -3 4 0 4.38211 0.56269 8 -3 4 0 4.69593 0.55002 2 -3 4 0 4.59880 0.69638 7 -3 4 0 4.57363 0.26266 3 -3 4 0 5.94609 0.82555 9 -3 4 0 4.07643 0.61818 14 -3 4 0 4.00950 0.43047 11 -3 4 0 4.95069 0.68466 5 -3 4 0 4.30529 0.50569 2 -3 4 0 3.86377 0.56262 14 2 -4 0 33.6105 1.14235 10 2 -4 0 35.4371 0.97914 2 2 -4 0 36.6011 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588.311 10.7236 10 3 4 0 576.346 10.8305 11 3 4 0 597.002 10.9186 3 3 4 0 589.717 10.3223 2 3 4 0 577.714 10.7011 9 3 4 0 575.222 10.4115 2 3 4 0 568.533 10.9255 13 3 4 0 582.269 11.4609 10 -4 -4 0 289.285 7.06811 9 -4 -4 0 291.485 5.94420 4 -4 -4 0 288.713 6.63694 10 -4 -4 0 276.244 6.44473 10 -4 -4 0 278.890 6.62824 13 -4 -4 0 268.433 6.61834 3 -4 -4 0 287.783 5.89130 2 -4 -4 0 286.205 6.62138 14 -4 -4 0 287.939 5.23958 6 -4 -4 0 287.231 6.80069 14 -4 -4 0 281.420 6.15132 8 4 4 0 288.730 6.14539 2 4 4 0 285.685 6.49794 9 4 4 0 281.829 6.12644 8 4 4 0 283.894 6.72252 14 4 4 0 282.858 6.74935 3 4 4 0 285.858 6.70374 14 4 4 0 283.611 5.95080 4 4 4 0 291.439 6.56107 11 4 4 0 291.934 6.59012 10 4 4 0 272.685 6.23625 2 4 4 0 282.998 6.59124 10 4 4 0 284.986 6.66698 13 -5 -4 0 378.691 8.67963 3 -5 -4 0 382.835 7.01591 6 -5 -4 0 380.488 8.11126 8 -5 -4 0 383.465 8.35525 9 -5 -4 0 387.696 8.58147 13 -5 -4 0 364.578 8.49712 14 -5 -4 0 379.088 7.66225 2 -5 -4 0 383.298 8.01132 2 -5 -4 0 374.122 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4.27266 2 11 -5 0 14.3333 2.22013 14 11 -5 0 16.5420 1.88085 3 11 -5 0 15.9198 2.26779 10 11 -5 0 12.0293 0.89130 11 11 -5 0 13.2334 0.87319 11 11 -5 0 13.1733 1.79711 2 -11 5 0 14.0238 2.00062 2 -11 5 0 10.6751 1.95598 10 -11 5 0 13.0289 1.77828 5 -11 5 0 12.3672 1.64487 13 -11 5 0 10.3061 1.69819 4 -11 5 0 10.8391 1.98728 14 -11 5 0 12.6035 2.24095 14 -11 5 0 9.37593 1.78959 9 10 -5 0 51.0962 3.20462 10 10 -5 0 50.3183 2.72392 2 10 -5 0 49.9881 2.53649 3 10 -5 0 52.8223 1.67953 11 10 -5 0 52.3348 1.75843 11 10 -5 0 51.6635 3.37420 14 -10 5 0 49.2180 2.68116 3 -10 5 0 53.1146 3.21036 4 -10 5 0 54.2962 2.99893 2 -10 5 0 51.2962 2.52312 5 -10 5 0 52.9397 3.49388 14 -10 5 0 52.1463 2.62069 13 -10 5 0 56.1245 3.08275 7 9 -5 0 27.5017 1.92689 2 9 -5 0 32.6524 1.25129 11 9 -5 0 30.5404 1.90693 2 9 -5 0 31.2391 2.25414 3 9 -5 0 32.3333 2.47677 10 9 -5 0 30.9593 1.30879 11 9 -5 0 24.2822 2.30306 14 -9 5 0 30.8162 1.89086 5 -9 5 0 32.0996 2.56613 14 -9 5 0 28.2926 2.15360 7 -9 5 0 32.5333 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30.7842 1.39097 10 1 -10 -3 31.1873 1.41423 10 1 -10 -3 30.8786 1.29205 14 1 -10 -3 30.2006 1.33780 14 -1 10 3 28.6202 1.52130 2 -1 10 3 30.0469 2.01815 12 -1 10 3 31.8399 1.53816 10 -1 10 3 30.4783 1.47545 2 -1 10 3 29.2546 1.25160 6 -1 10 3 33.8822 2.38743 11 -1 10 3 30.4808 1.23248 6 -1 10 3 31.0116 1.55115 10 -1 10 3 29.9482 1.62626 14 -1 10 3 29.5030 1.65285 14 -1 10 3 28.0811 2.37489 7 0 -10 -3 261.154 5.66773 10 0 -10 -3 248.637 6.58570 3 0 -10 -3 254.366 7.15053 5 0 -10 -3 261.595 5.46755 14 0 10 3 261.079 5.65225 10 0 10 3 252.492 6.16378 4 0 10 3 265.085 6.56725 3 0 10 3 257.212 5.72732 2 0 10 3 252.629 5.79227 10 0 10 3 257.235 6.04471 14 0 10 3 272.009 7.53939 7 0 10 3 259.537 7.17062 11 0 10 3 252.454 5.57915 2 0 10 3 259.110 5.87861 14 -1 -10 -3 218.430 5.24071 10 -1 -10 -3 219.328 6.52621 5 -1 -10 -3 209.032 5.22720 14 1 10 3 226.218 5.41944 2 1 10 3 214.623 5.53731 14 1 10 3 208.719 5.25417 2 1 10 3 217.097 6.15249 3 1 10 3 216.280 5.52163 4 1 10 3 208.243 4.24529 8 1 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1.07605 0.92040 7 -11 11 3 -0.8636 0.79522 10 -11 11 3 2.20610 1.09653 14 -11 11 3 1.75981 0.60310 13 -11 11 3 1.40826 1.14126 9 -11 11 3 1.67732 1.34915 4 -10 11 3 36.1799 2.51995 10 -10 11 3 39.4174 2.78887 7 -10 11 3 36.2741 3.15305 9 -10 11 3 32.7601 1.78940 13 -10 11 3 36.2447 2.40793 2 -10 11 3 36.7935 2.65454 14 -10 11 3 35.4629 2.51710 10 -10 11 3 39.9369 2.71364 14 -10 11 3 33.5241 3.08752 4 9 -11 -3 17.9050 1.60889 14 -9 11 3 22.1465 1.95119 14 -9 11 3 24.2813 2.25129 7 -9 11 3 24.4159 2.04757 14 -9 11 3 21.6636 2.50679 9 -9 11 3 24.1399 1.60501 13 -9 11 3 21.7476 1.89121 10 -9 11 3 27.6112 3.06375 4 -9 11 3 21.1315 1.80330 2 -9 11 3 24.5376 2.28018 10 8 -11 -3 1.40999 1.04299 5 -8 11 3 2.01165 0.81646 10 -8 11 3 3.34192 0.86136 10 -8 11 3 2.91499 1.04626 13 -8 11 3 4.65998 1.45258 9 -8 11 3 2.01191 0.74984 2 -8 11 3 1.57601 0.92044 7 -8 11 3 1.91624 0.81560 14 -8 11 3 1.67495 0.80882 8 -8 11 3 3.58598 0.99222 14 -8 11 3 1.14436 0.90189 4 7 -11 -3 2.84160 0.66344 10 7 -11 -3 2.58261 1.15640 5 7 -11 -3 2.45678 0.65184 10 7 -11 -3 2.42754 0.55872 14 -7 11 3 4.31651 0.94754 14 -7 11 3 2.78448 0.82315 13 -7 11 3 4.39516 1.36773 4 -7 11 3 3.04156 0.84501 13 -7 11 3 4.02925 0.91264 14 -7 11 3 3.58780 0.81119 10 -7 11 3 3.15803 0.81742 8 -7 11 3 3.26830 1.13112 9 -7 11 3 3.37168 0.79337 2 -7 11 3 2.79018 0.77788 10 -7 11 3 1.45362 0.93770 7 -7 11 3 2.58988 0.74070 2 -7 11 3 3.24225 0.64214 11 6 -11 -3 115.760 2.89265 10 6 -11 -3 118.033 4.81543 5 6 -11 -3 115.837 3.86393 10 -6 11 3 115.520 3.26947 10 -6 11 3 117.597 3.50507 14 -6 11 3 112.103 3.12065 12 -6 11 3 118.306 3.33491 10 -6 11 3 111.331 4.60343 9 -6 11 3 122.572 3.54491 14 -6 11 3 120.218 3.42297 11 -6 11 3 119.975 3.34624 2 -6 11 3 116.342 3.40952 2 -6 11 3 112.248 3.44843 8 -6 11 3 120.582 4.48207 7 5 -11 -3 122.869 2.70171 10 5 -11 -3 121.091 2.63569 10 5 -11 -3 133.351 5.07462 5 -5 11 3 121.016 3.22301 10 -5 11 3 123.474 3.23539 8 -5 11 3 127.711 4.34140 6 -5 11 3 123.086 3.24181 8 -5 11 3 122.084 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1.45801 10 5 3 -4 11.2490 1.31628 3 5 3 -4 14.1192 1.17816 11 -5 -3 4 15.9519 1.37373 8 -5 -3 4 18.4606 1.68665 9 -5 -3 4 14.0757 1.41544 14 -5 -3 4 15.8394 1.58740 14 -5 -3 4 14.3340 1.24913 6 -5 -3 4 12.5215 1.39589 3 -5 -3 4 13.2559 1.72783 10 -5 -3 4 13.9180 1.18079 11 -5 -3 4 18.6252 1.34940 2 -5 -3 4 12.5852 1.32037 2 4 3 -4 152.823 4.14349 10 4 3 -4 161.648 4.16987 4 4 3 -4 170.774 4.43478 14 4 3 -4 158.434 3.89776 2 4 3 -4 159.857 3.88438 13 4 3 -4 159.636 4.27688 10 4 3 -4 152.542 4.31463 14 4 3 -4 170.999 4.13242 9 4 3 -4 156.098 4.13742 3 4 3 -4 160.737 3.90404 2 4 3 -4 156.052 3.78457 11 -4 -3 4 161.552 4.11120 4 -4 -3 4 162.309 4.30249 10 -4 -3 4 157.775 3.83325 2 -4 -3 4 152.502 3.86664 11 -4 -3 4 154.534 4.05395 8 -4 -3 4 160.051 3.93650 6 -4 -3 4 155.613 4.21375 10 -4 -3 4 150.856 4.23513 3 -4 -3 4 160.112 4.35478 14 -4 -3 4 159.053 4.03417 9 -4 -3 4 158.295 4.05487 2 3 3 -4 2080.13 31.6996 14 3 3 -4 1938.99 31.4639 14 3 3 -4 1999.06 31.3229 4 3 3 -4 1946.45 31.4140 10 3 3 -4 2010.01 30.9714 2 3 3 -4 1993.84 31.3380 10 3 3 -4 1929.25 31.2585 3 3 3 -4 1911.13 30.9068 2 3 3 -4 1983.75 31.1403 6 -3 -3 4 2045.10 31.5083 10 -3 -3 4 1993.48 31.1580 11 -3 -3 4 2037.67 31.1349 2 -3 -3 4 2003.28 31.4414 3 -3 -3 4 2056.93 31.5037 10 -3 -3 4 1934.35 31.6106 14 -3 -3 4 2032.26 31.6130 14 2 3 -4 4637.27 109.306 1 -2 -3 4 4524.87 107.115 1 1 3 -4 9919.17 186.121 1 -1 -3 4 9999.99 185.619 1 0 3 -4 50.9316 1.76569 14 0 3 -4 45.7934 1.54735 11 0 3 -4 48.9393 1.56196 8 0 3 -4 44.6307 1.62186 10 0 3 -4 45.4868 1.48049 7 0 3 -4 46.6973 1.46376 2 0 3 -4 45.7121 1.61184 14 0 3 -4 47.5847 1.48764 2 0 3 -4 46.7366 1.54899 4 0 3 -4 47.5824 1.59497 10 0 3 -4 48.7234 1.62496 6 0 3 -4 49.1183 1.46323 12 0 -3 4 47.5199 1.49031 2 0 -3 4 49.1911 1.63205 6 0 -3 4 47.5717 1.53007 7 0 -3 4 49.0074 1.59922 11 0 -3 4 47.2131 1.63487 14 0 -3 4 45.7076 1.63432 10 0 -3 4 45.6341 1.51809 8 0 -3 4 50.8921 1.64686 10 0 -3 4 43.6701 1.64627 14 0 -3 4 47.8258 1.55988 4 -1 3 -4 230.170 4.41753 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3.90376 12 7 -4 -4 145.332 3.79312 7 7 -4 -4 146.544 4.13012 10 7 -4 -4 150.390 4.58552 9 7 -4 -4 141.642 4.11120 14 -7 4 4 146.841 4.04427 2 -7 4 4 146.928 4.54618 5 -7 4 4 140.404 3.66437 7 -7 4 4 139.163 4.29337 2 -7 4 4 141.984 4.39355 14 -7 4 4 149.881 4.51571 9 -7 4 4 146.872 4.29554 10 -7 4 4 139.350 3.79681 3 -7 4 4 147.592 4.34249 14 -7 4 4 138.175 4.53539 8 -7 4 4 146.508 4.19213 10 -7 4 4 146.831 4.67960 4 6 -4 -4 20.2745 1.32478 12 6 -4 -4 18.2753 1.18983 7 6 -4 -4 18.4394 1.31860 14 6 -4 -4 19.7492 0.82190 2 6 -4 -4 19.3365 1.28783 10 6 -4 -4 17.8456 1.25171 14 6 -4 -4 19.4360 1.28518 10 6 -4 -4 20.4651 0.81681 2 6 -4 -4 18.7101 1.49676 9 -6 4 4 20.1600 1.41682 14 -6 4 4 20.1753 1.38215 10 -6 4 4 19.3422 1.18391 7 -6 4 4 21.6647 1.62277 8 -6 4 4 18.8274 1.18210 3 -6 4 4 21.4245 1.29684 2 -6 4 4 19.5276 1.21509 2 -6 4 4 20.4169 1.45631 14 -6 4 4 20.1964 1.67001 4 -6 4 4 19.2155 1.53775 5 -6 4 4 22.3863 1.91280 9 -6 4 4 19.5074 1.37684 10 5 -4 -4 315.279 6.01585 10 5 -4 -4 316.685 6.02040 14 5 -4 -4 309.781 6.04028 7 5 -4 -4 319.553 6.20924 12 5 -4 -4 310.102 6.67156 9 5 -4 -4 310.035 5.93541 14 5 -4 -4 312.193 5.90960 10 -5 4 4 311.311 6.13139 10 -5 4 4 308.881 6.34864 14 -5 4 4 317.581 6.07444 10 -5 4 4 310.131 6.17539 14 -5 4 4 316.717 5.94276 3 -5 4 4 302.885 6.85534 4 -5 4 4 311.725 5.94551 7 -5 4 4 316.903 6.67275 9 -5 4 4 310.810 5.79857 2 -5 4 4 308.552 5.10386 13 -5 4 4 307.447 5.36951 13 -5 4 4 317.796 5.94095 2 4 -4 -4 1253.41 20.5312 9 4 -4 -4 1271.98 20.1802 12 4 -4 -4 1255.85 19.3714 14 4 -4 -4 1268.59 20.0394 7 4 -4 -4 1186.81 20.1415 10 4 -4 -4 1263.90 19.3936 10 4 -4 -4 1231.20 20.9026 5 4 -4 -4 1265.62 19.4257 14 -4 4 4 1243.21 19.6537 10 -4 4 4 1255.60 19.7253 14 -4 4 4 1287.40 19.9695 7 -4 4 4 1242.53 19.3317 2 -4 4 4 1255.27 19.7492 3 -4 4 4 1258.38 19.4020 2 -4 4 4 1270.51 20.5343 9 -4 4 4 1267.40 19.7944 14 -4 4 4 1255.58 19.2349 11 -4 4 4 1256.07 19.6008 10 -4 4 4 1267.25 19.3272 13 -4 4 4 1270.36 21.0695 5 -4 4 4 1268.21 20.8293 4 -4 4 4 1269.36 20.1799 12 -3 4 4 3439.13 62.4834 1 2 -4 -4 1140.61 18.6310 12 2 -4 -4 1124.84 19.0321 5 -2 4 4 1148.38 18.5792 7 -2 4 4 1146.49 18.3931 13 -2 4 4 1153.89 18.5024 9 -2 4 4 1161.65 18.4753 11 -2 4 4 1140.43 18.3736 3 -2 4 4 1164.20 18.6396 12 -2 4 4 1163.98 18.4257 8 -2 4 4 1162.80 19.1598 5 -2 4 4 1145.13 18.5028 4 1 -4 -4 18.6986 1.29681 5 1 -4 -4 21.1108 1.27509 13 -1 4 4 19.5660 1.24592 12 -1 4 4 19.1495 1.25103 11 -1 4 4 21.9433 1.02630 6 -1 4 4 19.4213 0.60519 10 -1 4 4 19.7680 0.67566 14 -1 4 4 19.2176 1.21787 13 -1 4 4 19.7756 0.67893 14 -1 4 4 18.7014 1.19771 3 -1 4 4 19.2573 1.28288 5 -1 4 4 18.7306 1.07651 8 -1 4 4 19.1345 0.60213 10 0 -4 -4 319.658 5.46686 10 0 -4 -4 326.781 5.41720 14 0 -4 -4 318.104 6.44855 5 0 -4 -4 287.400 6.35705 10 0 -4 -4 320.145 6.45821 3 0 -4 -4 314.474 5.42921 14 0 -4 -4 319.892 6.03539 8 0 -4 -4 319.785 6.64201 13 0 4 4 321.694 5.56278 10 0 4 4 322.143 6.64671 11 0 4 4 312.646 5.36313 2 0 4 4 322.440 6.58837 12 0 4 4 322.855 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21.1442 1.38125 14 5 -10 -4 3.42485 1.15771 5 -5 10 4 2.93286 0.56841 2 -5 10 4 3.30719 1.10153 9 -5 10 4 3.61556 0.85092 13 -5 10 4 2.49686 0.53136 10 -5 10 4 3.41676 0.47090 3 -5 10 4 2.99506 0.56371 2 -5 10 4 2.16212 0.74365 12 -5 10 4 3.60289 0.68628 8 -5 10 4 3.23259 0.62523 14 -5 10 4 3.50905 0.78435 11 -5 10 4 2.66439 0.51783 10 -5 10 4 3.25158 0.66019 14 -5 10 4 3.32118 1.01933 7 4 -10 -4 41.1460 2.76095 5 -4 10 4 41.9136 1.74943 8 -4 10 4 40.7985 1.71982 10 -4 10 4 42.0418 1.55890 14 -4 10 4 41.7685 2.07255 12 -4 10 4 41.7006 1.38319 10 -4 10 4 41.0572 1.51179 2 -4 10 4 43.2786 2.25854 11 -4 10 4 42.5434 1.70427 8 -4 10 4 38.8639 2.12020 6 -4 10 4 37.9542 1.59291 3 -4 10 4 43.5494 2.68120 9 -4 10 4 40.5804 2.59991 7 -4 10 4 42.7598 1.58391 14 -4 10 4 43.8493 1.58535 2 3 -10 -4 2.76763 0.95345 5 -3 10 4 3.14418 1.03630 9 -3 10 4 2.24098 0.73950 12 -3 10 4 3.98551 0.58070 2 -3 10 4 2.84978 0.51481 8 -3 10 4 2.60404 0.86389 11 -3 10 4 2.06733 1.04556 7 -3 10 4 3.77576 0.53029 8 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1.04210 14 -1 10 4 12.4469 0.99920 10 -1 10 4 12.4394 1.88908 7 0 -10 -4 63.4973 2.22731 14 0 -10 -4 68.6324 3.48879 5 0 -10 -4 67.2581 2.22560 10 0 -10 -4 66.3482 2.26369 10 0 -10 -4 63.3159 3.00078 3 0 10 4 68.8254 2.56767 14 0 10 4 69.4365 2.67528 14 0 10 4 69.0067 3.57126 11 0 10 4 66.3071 2.74768 4 0 10 4 68.3500 2.48701 2 0 10 4 69.3184 3.69694 7 0 10 4 63.1221 1.87476 8 0 10 4 65.4354 3.10693 3 0 10 4 68.6441 2.49851 10 0 10 4 67.1037 2.38988 10 -1 -10 -4 27.7462 2.35668 5 -1 -10 -4 27.9918 1.61776 10 -1 -10 -4 23.9651 1.51147 14 1 10 4 24.0439 2.64713 11 1 10 4 21.4977 1.56719 2 1 10 4 24.6806 1.28053 8 1 10 4 23.9408 1.68178 10 1 10 4 26.0225 1.83738 14 1 10 4 24.4237 1.66666 10 1 10 4 24.2380 1.72375 2 1 10 4 25.3466 1.80871 14 1 10 4 24.6091 2.16304 3 1 10 4 25.1839 2.53042 7 1 10 4 24.7088 1.72291 4 -2 -10 -4 71.1000 2.89684 10 -2 -10 -4 72.2735 2.51219 8 -2 -10 -4 73.0412 3.71577 5 2 10 4 67.2217 2.40536 8 2 10 4 71.9190 3.02043 10 2 10 4 70.7912 2.78358 4 2 10 4 70.8928 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1.76598 2 6 10 4 9.40459 2.34369 14 -12 11 4 94.2960 6.76875 9 -12 11 4 108.883 5.72529 4 -12 11 4 96.8767 4.70000 14 -12 11 4 102.342 4.52295 10 -12 11 4 94.9815 4.40190 7 -12 11 4 102.641 4.48830 2 -11 11 4 20.4950 3.80076 14 -11 11 4 22.8248 3.01245 4 -11 11 4 25.2587 2.42621 14 -11 11 4 26.5349 3.09394 7 -11 11 4 23.0385 2.39156 2 -11 11 4 23.2167 2.18999 10 -11 11 4 21.6259 2.75337 9 10 -11 -4 10.1243 1.37956 14 -10 11 4 10.1803 1.67215 7 -10 11 4 6.18351 1.26864 10 -10 11 4 9.57458 1.60494 14 -10 11 4 7.95366 1.46091 14 -10 11 4 8.60558 1.40974 10 -10 11 4 12.2088 2.06318 4 -10 11 4 11.3570 2.14456 9 -10 11 4 9.04163 0.93084 13 -10 11 4 9.48415 1.02120 13 -10 11 4 7.63960 1.31713 2 -9 11 4 45.3623 2.39363 10 -9 11 4 39.2428 2.69075 7 -9 11 4 37.7731 2.28267 10 -9 11 4 42.6725 1.94742 13 -9 11 4 39.5299 2.45328 14 -9 11 4 39.7875 2.28580 2 -9 11 4 41.9520 2.12049 13 -9 11 4 45.9560 3.39905 4 -9 11 4 39.5526 3.15312 9 -9 11 4 36.1964 2.37818 14 8 -11 -4 21.8819 2.52714 5 8 -11 -4 26.2903 1.43190 10 8 -11 -4 22.8225 1.14224 14 -8 11 4 22.6117 1.74705 2 -8 11 4 26.1583 1.72363 13 -8 11 4 25.1132 1.83611 14 -8 11 4 26.0517 2.54104 9 -8 11 4 23.6688 1.71755 10 -8 11 4 25.9589 2.40021 8 -8 11 4 22.8189 1.62755 2 -8 11 4 24.5837 2.19084 7 -8 11 4 23.5284 1.60303 13 -8 11 4 27.4424 2.62364 4 -8 11 4 27.1672 1.74082 10 -8 11 4 25.4579 1.86196 14 7 -11 -4 39.4278 2.91725 5 7 -11 -4 37.9347 1.35394 10 -7 11 4 39.2969 1.85955 10 -7 11 4 40.1854 2.21739 13 -7 11 4 37.3627 2.19552 2 -7 11 4 39.9303 2.70498 7 -7 11 4 43.7614 2.12252 14 -7 11 4 40.6318 1.68828 11 -7 11 4 36.5070 2.77982 9 -7 11 4 40.5297 2.08856 14 -7 11 4 34.3709 2.13055 8 -7 11 4 41.5376 2.24154 2 -7 11 4 38.2888 2.88123 4 -7 11 4 41.0118 1.87470 10 -6 11 4 87.7566 2.70552 2 -6 11 4 86.8625 2.55691 10 -6 11 4 88.2750 2.93875 11 -6 11 4 85.2247 3.88974 13 -6 11 4 84.3642 2.71196 14 -6 11 4 91.8873 3.89671 7 -6 11 4 87.7874 2.53045 10 -6 11 4 88.6687 2.81706 2 -6 11 4 87.4215 4.53070 8 -6 11 4 88.3571 2.78427 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2.24702 0.63758 10 -1 11 4 2.88844 1.20377 7 -1 11 4 2.11559 0.83157 4 0 -11 -4 23.1621 1.37231 10 0 -11 -4 22.3491 1.61532 10 0 -11 -4 21.3661 2.49233 5 0 -11 -4 22.0900 1.20893 14 0 11 4 20.6105 1.52014 10 0 11 4 25.2123 2.55881 7 0 11 4 24.3762 1.61680 2 0 11 4 22.5338 1.65131 14 0 11 4 21.4154 1.72516 4 0 11 4 21.1325 1.96743 3 0 11 4 26.3659 2.52938 11 0 11 4 21.5790 1.50914 10 0 11 4 19.9060 1.62835 14 -1 -11 -4 22.4540 2.16836 14 -1 -11 -4 27.3191 3.30514 5 1 11 4 22.8372 1.75908 4 1 11 4 23.2378 1.10104 8 1 11 4 22.4573 1.70897 10 1 11 4 21.8191 1.67741 10 1 11 4 23.7066 1.77946 2 1 11 4 19.6884 2.39542 7 1 11 4 23.5307 1.90267 14 1 11 4 19.4108 2.37656 11 1 11 4 23.3552 1.87945 14 1 11 4 22.3180 2.37326 3 -2 -11 -4 129.892 4.09770 14 -2 -11 -4 131.657 4.17104 10 -2 -11 -4 125.216 5.21698 5 2 11 4 132.033 4.70233 14 2 11 4 130.258 4.44561 10 2 11 4 136.692 4.47202 2 2 11 4 128.414 4.91487 10 2 11 4 133.466 5.20202 3 2 11 4 133.724 4.57627 14 2 11 4 131.607 5.79516 7 2 11 4 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3.02561 0.71525 10 1 6 12 2.79031 1.39418 3 1 6 12 3.62577 0.86740 9 1 6 12 4.86820 1.53814 11 -2 -6 -12 59.0019 4.02714 13 2 6 12 66.4997 4.26967 11 2 6 12 59.6813 2.84419 14 2 6 12 54.4172 3.93747 3 2 6 12 58.2998 2.61704 10 2 6 12 53.3336 2.89588 14 2 6 12 56.3363 2.70344 10 2 6 12 60.2430 3.01336 2 -3 -6 -12 37.3552 3.71279 13 3 6 12 45.9057 3.75494 3 3 6 12 41.0907 2.83658 14 3 6 12 40.2215 2.59029 10 3 6 12 39.4157 2.73956 2 3 6 12 39.6053 2.63448 14 3 6 12 38.1366 3.09205 8 3 6 12 43.8786 3.73503 11 -4 -6 -12 159.017 7.14288 13 4 6 12 160.856 6.24576 8 4 6 12 151.270 5.40248 10 4 6 12 153.539 7.53290 3 4 6 12 185.933 9.17918 14 4 6 12 161.990 5.79580 2 11 -7 -12 25.7478 2.85074 12 -11 7 12 25.6207 3.28210 4 -11 7 12 22.0792 2.23216 2 -11 7 12 17.7896 2.79279 14 -11 7 12 20.2037 2.35435 9 -11 7 12 21.5465 1.79243 10 -11 7 12 20.6684 2.81457 6 10 -7 -12 14.3833 2.15650 12 -10 7 12 11.2283 1.41486 14 -10 7 12 11.3854 1.80218 9 -10 7 12 13.7826 2.38426 6 -10 7 12 13.7091 1.59815 2 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6 14 33.3612 1.44534 7 -6 6 14 33.3500 2.44319 4 5 -6 -14 26.1765 3.00469 12 -5 6 14 23.2596 2.70612 8 -5 6 14 23.6834 1.60476 7 -5 6 14 22.3141 1.87986 4 -5 6 14 23.1056 1.52858 7 -5 6 14 20.3106 1.35263 9 -5 6 14 21.8677 1.20747 2 -5 6 14 17.1303 1.15224 2 -5 6 14 23.6197 2.60441 6 -5 6 14 25.8295 2.18487 11 -5 6 14 21.9929 1.57059 13 4 -6 -14 50.4960 3.54194 12 -4 6 14 48.1095 2.59381 13 -4 6 14 46.9256 1.90913 9 -4 6 14 53.3759 3.43685 8 -4 6 14 47.4368 2.87316 6 -4 6 14 48.4951 1.89682 9 -4 6 14 47.6414 1.71480 2 -4 6 14 53.8456 3.44862 3 -4 6 14 45.4340 2.32776 4 -4 6 14 48.5837 2.53682 7 -4 6 14 49.1986 2.42843 7 -4 6 14 46.9595 1.74995 2 -4 6 14 51.9700 3.05173 11 3 -6 -14 24.2560 2.18113 13 -3 6 14 26.2696 1.39871 9 -3 6 14 24.8890 2.09401 6 -3 6 14 25.9198 2.88168 3 -3 6 14 26.1711 1.39934 2 -3 6 14 26.8884 1.36916 9 -3 6 14 25.3642 2.08736 7 -3 6 14 25.2063 2.92938 8 -3 6 14 27.8827 2.52521 11 -3 6 14 26.8554 1.58775 2 -3 6 14 26.7679 1.52438 4 2 -6 -14 123.738 4.97212 13 -2 6 14 113.273 3.07914 9 -2 6 14 118.303 4.65565 7 -2 6 14 120.683 3.37434 2 -2 6 14 115.515 3.27567 2 -2 6 14 120.558 5.40943 3 -2 6 14 111.489 4.00494 6 -2 6 14 118.435 5.16846 11 -2 6 14 117.766 3.17722 9 -2 6 14 117.178 5.06097 8 1 -6 -14 108.395 5.33511 13 -1 6 14 111.923 2.73745 14 -1 6 14 114.442 3.56735 2 -1 6 14 111.771 5.05403 8 -1 6 14 120.384 5.41758 11 -1 6 14 119.166 5.50241 3 -1 6 14 110.760 3.77906 6 -1 6 14 114.827 3.22521 9 -1 6 14 116.326 2.84173 14 0 -6 -14 1.52547 1.20099 13 0 6 14 -0.4155 0.41417 10 0 6 14 2.20117 1.09501 8 0 6 14 0.57002 0.54948 9 0 6 14 -0.8351 1.07223 11 0 6 14 0.37187 0.43754 10 0 6 14 0.40039 0.60938 14 0 6 14 0.01051 1.23583 3 0 6 14 -0.4289 0.55291 6 0 6 14 1.05017 0.60007 14 -1 -6 -14 -0.3161 1.07677 13 1 6 14 1.64790 0.75617 14 1 6 14 0.12349 0.98177 8 1 6 14 -0.0935 1.16054 3 1 6 14 0.74660 0.70046 14 1 6 14 1.19425 0.70242 10 1 6 14 -0.1069 1.07687 11 1 6 14 1.26367 0.52757 6 1 6 14 0.97636 0.71794 2 -2 -6 -14 6.02451 1.69330 13 2 6 14 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32.2243 2.25896 2 3 8 -20 29.6617 3.42948 12 3 8 -20 31.7416 3.08302 10 -3 -8 20 30.3649 3.45558 10 -3 -8 20 29.9120 2.77436 4 -3 -8 20 31.4372 2.88129 2 -3 -8 20 31.9156 3.54631 6 2 8 -20 10.1375 1.98933 12 2 8 -20 6.55570 1.85760 10 2 8 -20 14.2637 2.32010 13 2 8 -20 10.0429 1.43805 2 -2 -8 20 11.1521 2.33903 8 -2 -8 20 11.8285 3.40838 14 -2 -8 20 11.3597 2.38824 6 -2 -8 20 4.88035 1.84986 10 -2 -8 20 9.31231 1.92650 2 1 8 -20 3.81132 1.37829 12 1 8 -20 1.84301 1.30759 13 1 8 -20 1.54405 1.37202 10 1 8 -20 2.08030 0.96839 2 -1 -8 20 1.25754 1.30808 10 -1 -8 20 -1.2203 2.19821 6 -1 -8 20 1.47888 1.41787 8 -1 -8 20 4.16692 1.80236 14 -1 -8 20 1.19135 1.11862 2 0 8 -20 28.3633 2.80531 12 0 8 -20 23.6769 3.09047 13 0 8 -20 27.2907 3.08623 10 0 -8 20 24.0248 2.94393 2 0 -8 20 25.3568 4.36918 6 -1 8 -20 34.5432 3.08720 12 -1 8 -20 36.9584 2.49768 2 -1 8 -20 37.8710 3.49638 13 -1 8 -20 35.0949 3.29805 10 1 -8 20 36.1444 3.64841 14 1 -8 20 33.7722 4.27499 3 1 -8 20 35.4548 3.40568 6 1 -8 20 36.5449 3.53906 8 1 -8 20 34.7435 5.14448 2 1 -8 20 27.7397 3.43399 10 4 7 -20 0.77928 1.03529 10 4 7 -20 0.29010 0.63391 2 4 7 -20 0.66588 0.93538 13 -4 -7 20 0.46421 1.21030 14 -4 -7 20 -0.9682 0.82140 2 -4 -7 20 -0.3438 0.94161 4 -4 -7 20 0.15290 1.04197 6 -4 -7 20 -0.0022 1.12323 8 -4 -7 20 0.46663 1.14231 10 3 7 -20 43.9037 3.21334 10 3 7 -20 45.2303 3.28666 13 3 7 -20 38.8393 2.17456 2 3 7 -20 48.5636 3.73925 12 -3 -7 20 47.2020 3.18075 4 -3 -7 20 52.1268 4.68493 8 -3 -7 20 44.8666 3.19306 2 -3 -7 20 50.8975 6.12851 6 2 7 -20 93.4032 3.31605 2 2 7 -20 85.6245 4.48037 10 2 7 -20 86.8512 4.81441 12 2 7 -20 84.5192 4.50813 13 -2 -7 20 99.1977 7.36759 10 -2 -7 20 90.0474 5.93163 14 -2 -7 20 88.8035 5.45980 8 -2 -7 20 88.5599 4.49979 2 -2 -7 20 113.047 7.90024 6 1 7 -20 169.549 4.78547 2 1 7 -20 186.601 6.88685 13 1 7 -20 182.498 6.97877 12 1 7 -20 173.739 6.52380 10 -1 -7 20 155.522 7.12415 6 -1 -7 20 175.511 8.29640 8 -1 -7 20 160.235 6.21047 2 -1 -7 20 186.836 8.46649 14 0 7 -20 17.1441 2.66530 12 0 7 -20 17.2750 2.53711 13 0 7 -20 14.8339 2.27231 10 0 7 -20 13.0347 1.49104 2 0 -7 20 15.9705 2.36463 2 0 -7 20 14.6720 2.66077 6 -1 7 -20 5.12316 1.11316 2 -1 7 -20 4.80869 1.62717 10 -1 7 -20 3.36286 1.35852 12 -1 7 -20 4.13962 1.53609 13 1 -7 20 6.87824 2.06144 8 1 -7 20 3.98405 1.53818 2 1 -7 20 5.35744 1.71943 3 1 -7 20 7.15716 1.89850 14 1 -7 20 4.38628 1.62229 10 5 6 -20 1.64065 1.48854 12 5 6 -20 2.00153 1.03884 13 5 6 -20 0.09568 1.07806 10 -5 -6 20 3.98023 1.42018 4 -5 -6 20 2.48217 1.39426 6 -5 -6 20 2.07313 1.33390 2 -5 -6 20 5.34504 1.54974 10 -5 -6 20 4.13247 1.53714 8 -5 -6 20 2.52630 1.52404 14 -4 -6 20 36.5917 2.84204 2 -4 -6 20 29.9496 4.94349 8 -4 -6 20 29.9628 3.75146 14 -4 -6 20 35.7263 2.94621 4 -4 -6 20 35.3845 3.98811 6 3 6 -20 61.9243 4.18580 12 3 6 -20 60.5547 3.65326 13 -3 -6 20 62.1090 3.72060 2 -3 -6 20 58.7922 5.25527 6 -3 -6 20 64.1283 5.25253 8 -3 -6 20 66.7893 7.23383 14 -3 -6 20 57.8523 3.38841 4 -3 -6 20 66.2961 4.08255 10 2 6 -20 31.8287 3.20023 12 2 6 -20 23.4046 2.79471 13 -2 -6 20 28.9982 3.70084 14 -2 -6 20 23.4318 2.82474 10 -2 -6 20 29.0613 3.40784 8 -2 -6 20 25.5869 2.73668 2 -2 -6 20 32.1029 3.47021 6 1 6 -20 -0.3511 0.92811 10 1 6 -20 2.93915 1.28845 13 1 6 -20 4.85491 1.68286 12 -1 -6 20 2.67337 1.31130 2 -1 -6 20 3.03877 2.07559 8 -1 -6 20 4.02563 1.64232 6 0 6 -20 -0.4536 1.02918 10 0 6 -20 0.04402 0.59290 2 0 6 -20 1.04098 1.11435 12 0 6 -20 0.37583 1.02980 13 0 -6 20 0.56722 0.95056 6 0 -6 20 -0.8658 0.95063 2 0 -6 20 -0.1432 1.78704 8 -1 6 -20 35.1915 3.37846 13 -1 6 -20 25.8602 3.07740 12 1 -6 20 24.4792 2.95037 10 1 -6 20 28.0221 3.29521 8 1 -6 20 20.8907 2.96061 3 1 -6 20 28.4943 3.41935 14 1 -6 20 23.2307 2.69424 2 1 -6 20 27.3677 3.15547 6 5 5 -20 -1.6403 0.96435 12 5 5 -20 -0.1215 0.84558 13 5 5 -20 -0.0852 1.06107 10 -5 -5 20 1.61837 1.16170 4 -5 -5 20 1.97913 1.29432 14 -5 -5 20 -0.0092 1.20857 6 -5 -5 20 0.79271 1.26914 8 -5 -5 20 2.59009 1.22351 2 4 5 -20 2.73051 1.07082 13 4 5 -20 1.43164 1.05213 10 -4 -5 20 1.50656 1.38185 14 -4 -5 20 0.79141 1.05385 4 -4 -5 20 1.24976 1.11523 10 -4 -5 20 0.75288 0.92559 2 -4 -5 20 1.60584 1.97174 8 3 5 -20 2.33112 1.10954 12 3 5 -20 0.57368 1.01123 10 3 5 -20 0.73078 1.01151 13 -3 -5 20 0.47471 0.96695 2 -3 -5 20 1.30849 1.01254 10 -3 -5 20 -0.1046 1.42748 8 -3 -5 20 -1.3477 0.81842 6 2 5 -20 -1.7427 0.86059 10 2 5 -20 1.05458 1.09980 12 2 5 -20 2.74906 1.24729 13 -2 -5 20 1.95374 1.20365 6 -2 -5 20 2.06736 1.41147 8 -2 -5 20 0.55299 0.94848 10 -2 -5 20 0.50008 1.74600 14 -2 -5 20 -0.2372 0.88608 2 1 5 -20 0.51956 0.98993 12 1 5 -20 0.23412 0.98711 10 1 5 -20 2.38985 1.26243 13 -1 -5 20 1.57200 1.10068 6 -1 -5 20 2.44717 2.08188 8 -1 -5 20 2.17974 1.23950 10 -1 -5 20 -1.3261 0.88095 2 0 5 -20 18.1604 2.63475 13 0 5 -20 23.4672 3.05522 12 0 -5 20 18.6352 2.94664 10 0 -5 20 15.8379 2.81319 8 0 -5 20 17.4013 2.86728 14 0 -5 20 15.8897 3.16791 3 0 -5 20 19.5848 2.36424 2 0 -5 20 14.2715 2.24801 6 -1 5 -20 64.3649 4.32733 12 -1 5 -20 69.9855 4.47787 13 1 -5 20 67.4630 4.37600 14 1 -5 20 65.5777 4.63713 8 1 -5 20 67.7697 4.28298 6 1 -5 20 68.2806 4.30863 10 1 -5 20 70.9553 3.98061 2 1 -5 20 59.0900 4.51385 3 5 4 -20 49.5707 3.89346 12 -5 -4 20 56.6693 4.33128 8 -5 -4 20 51.5585 3.30873 2 -5 -4 20 49.3115 3.90504 6 -5 -4 20 50.2303 3.82556 10 -5 -4 20 46.9476 3.27657 4 -5 -4 20 47.1901 3.50446 14 4 4 -20 29.0897 2.44100 13 -4 -4 20 33.2120 2.78375 10 -4 -4 20 29.6081 2.56345 2 -4 -4 20 21.6872 3.88292 8 -4 -4 20 31.7961 4.21293 6 -4 -4 20 28.5112 3.64596 14 -4 -4 20 34.0060 2.67868 4 3 4 -20 -2.9813 0.95679 12 3 4 -20 0.83699 1.05126 10 3 4 -20 1.13814 1.29633 13 -3 -4 20 1.75791 0.85597 4 -3 -4 20 2.15337 1.24121 6 -3 -4 20 -0.7486 0.94111 10 -3 -4 20 -0.1072 0.85468 2 2 4 -20 31.3580 3.12061 12 2 4 -20 28.4153 2.71107 13 -2 -4 20 29.2713 2.58238 2 -2 -4 20 25.7944 2.89589 6 1 4 -20 9.49076 1.94097 12 1 4 -20 9.44841 1.85300 13 -1 -4 20 6.69428 1.55922 2 -1 -4 20 8.56404 2.77294 3 -1 -4 20 11.5518 2.19128 6 -1 -4 20 4.57119 2.73718 8 -1 -4 20 10.4268 2.85743 14 -1 -4 20 9.41431 1.76670 10 0 4 -20 10.6567 2.06814 13 0 4 -20 10.0517 2.04031 12 0 -4 20 8.34427 1.87911 8 0 -4 20 6.99691 1.79515 14 0 -4 20 10.9927 2.12258 10 0 -4 20 9.48645 1.83244 2 0 -4 20 11.0321 2.37851 3 0 -4 20 11.1700 2.04166 6 -1 4 -20 10.9172 2.23811 13 1 -4 20 8.19301 1.72144 2 1 -4 20 7.52648 1.96178 8 1 -4 20 8.42550 1.87470 14 1 -4 20 8.95423 1.83222 10 1 -4 20 5.43577 1.58218 6 1 -4 20 7.55141 2.02712 3 5 3 -20 0.44113 0.65122 13 5 3 -20 1.89450 1.44887 12 -5 -3 20 1.94860 1.32525 8 -5 -3 20 1.82481 1.06450 10 -5 -3 20 1.29636 1.24570 6 -5 -3 20 1.73991 1.24092 14 -5 -3 20 0.57541 0.95361 4 -5 -3 20 1.52424 1.02883 2 4 3 -20 1.02031 1.04553 13 4 3 -20 4.20297 1.86605 12 -4 -3 20 1.14895 1.03030 2 -4 -3 20 3.29821 1.34481 14 -4 -3 20 1.82120 1.17141 10 -4 -3 20 2.80495 1.39400 6 -4 -3 20 2.37190 1.34146 8 -3 -3 20 0.15434 1.13168 6 -3 -3 20 1.75921 1.74312 8 -3 -3 20 1.33284 0.97455 2 -3 -3 20 0.46301 0.79406 4 2 3 -20 26.6186 3.50083 12 2 3 -20 29.4510 2.81161 13 -2 -3 20 28.3472 4.86332 3 -2 -3 20 32.7839 2.63404 2 -2 -3 20 28.2171 2.57211 10 -2 -3 20 30.1746 5.46829 8 -2 -3 20 35.8803 3.16653 6 1 3 -20 48.3098 3.57046 13 -1 -3 20 57.6059 4.32945 8 -1 -3 20 45.7071 3.17153 2 -1 -3 20 46.1816 3.91638 3 -1 -3 20 44.0318 3.48815 6 -1 -3 20 53.2291 3.69096 14 -1 -3 20 50.4966 3.28816 10 0 3 -20 2.48388 1.28893 13 0 3 -20 0.32295 1.33277 12 0 -3 20 4.29451 1.41479 6 0 -3 20 1.79471 1.24315 14 0 -3 20 0.64917 0.87110 2 0 -3 20 2.17534 1.34495 8 0 -3 20 -0.3337 1.07346 3 0 -3 20 3.88270 1.27909 10 5 2 -20 44.1039 3.85387 12 -5 -2 20 43.3893 3.79227 8 -5 -2 20 43.0749 2.91542 10 -5 -2 20 40.3921 2.94631 2 -5 -2 20 43.4452 2.92559 4 -5 -2 20 39.1411 2.93165 14 -5 -2 20 38.1849 3.67424 6 4 2 -20 51.7231 3.01246 13 4 2 -20 55.7696 4.07082 12 -4 -2 20 55.4367 3.49117 14 -4 -2 20 53.6919 3.23877 10 -4 -2 20 58.2591 4.03869 6 -4 -2 20 54.9845 3.01227 4 -4 -2 20 54.0149 3.27819 2 -4 -2 20 55.4092 4.23988 8 3 2 -20 0.95882 1.06628 12 -3 -2 20 -0.6225 1.01770 6 -3 -2 20 -0.0297 1.11928 8 -3 -2 20 -1.1248 0.56611 4 -3 -2 20 -0.5285 0.81360 2 -3 -2 20 1.36379 0.91389 10 2 2 -20 1.84185 1.53680 12 2 2 -20 0.99659 1.13095 13 -2 -2 20 0.17653 0.88599 14 -2 -2 20 0.95700 0.88541 10 -2 -2 20 0.24783 0.97108 2 -2 -2 20 0.12727 1.11164 6 -2 -2 20 -0.3826 1.20409 3 -2 -2 20 0.35907 0.90270 8 1 2 -20 0.01731 1.23771 12 1 2 -20 2.34447 1.17265 13 -1 -2 20 1.79849 1.08265 14 -1 -2 20 2.44144 1.08529 2 -1 -2 20 -0.6117 1.05899 8 -1 -2 20 -1.2254 0.89440 3 -1 -2 20 2.01898 1.26872 6 -1 -2 20 -0.3267 0.90318 10 5 1 -20 -1.2048 1.02916 12 -5 -1 20 -2.3061 0.82344 10 -5 -1 20 0.47815 1.00521 2 4 1 -20 4.37363 1.22344 13 4 1 -20 5.72259 1.61035 12 -4 -1 20 7.34297 1.38148 4 -4 -1 20 3.46283 1.54043 8 -4 -1 20 6.64676 1.33538 10 -4 -1 20 4.15540 1.18324 2 -4 -1 20 6.54081 1.81810 6 3 1 -20 6.58329 1.95589 12 -3 -1 20 9.69128 1.59888 10 -3 -1 20 9.31307 2.07017 3 -3 -1 20 9.80039 1.99609 8 -3 -1 20 10.8148 1.34016 4 -3 -1 20 10.8808 1.98444 6 -3 -1 20 9.53044 1.64418 2 -3 -1 20 8.48606 1.57041 14 2 1 -20 3.92475 1.49314 12 2 1 -20 4.24219 1.41257 13 -2 -1 20 1.87171 1.45940 3 -2 -1 20 6.28581 1.64892 6 -2 -1 20 7.69015 1.47353 14 -2 -1 20 7.06873 2.02834 8 -2 -1 20 7.65516 1.42433 10 -2 -1 20 7.28010 1.50195 2 0 0 0 0.00 0.00 0 _exptl_absorpt_process_details ) SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10 ) _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_max 0.8374 _exptl_absorpt_correction_T_min 0.8210 _exptl_special_details ) The following wavelength and cell were deduced by SADABS from the direction cosines etc. They are given here for emergency use only: CELL 0.71077 9.459 13.061 14.592 106.879 99.088 104.443 ) ; _shelx_hkl_checksum 4004