data_hasj151204b _audit_creation_date 2016-05-20 _audit_creation_method ; Olex2 1.2 (compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155) ; _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. A71, 3-8. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C70 H100 Ca2 N4, 4(C6 H6)' _chemical_formula_sum 'C94 H124 Ca2 N4' _chemical_formula_weight 1390.12 _chemical_melting_point ? _chemical_oxdiff_formula 'C H N Ca' loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ca' 'Ca' 0.3641 1.2855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system 'triclinic' _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.4550(2) _cell_length_b 10.5225(2) _cell_length_c 19.8508(3) _cell_angle_alpha 83.3598(15) _cell_angle_beta 87.9438(15) _cell_angle_gamma 69.2211(18) _cell_volume 2028.06(7) _cell_formula_units_Z 1 _cell_measurement_reflns_used 26883 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 73.6160 _cell_measurement_theta_min 4.4910 _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 1.569 _exptl_absorpt_correction_T_max 0.944 _exptl_absorpt_correction_T_min 0.814 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) 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 1.138 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description block _exptl_crystal_F_000 756 _exptl_crystal_size_max 0.4655 _exptl_crystal_size_mid 0.1638 _exptl_crystal_size_min 0.1088 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0728 _diffrn_reflns_av_unetI/netI 0.0368 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 41056 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 68.093 _diffrn_reflns_theta_min 4.485 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.2903 _diffrn_detector_type AtlasS2 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_details ; #__ type_ start__ end____ width___ exp.time_ 1 omega 1.00 28.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 38.0000 92.0000 160.5099 27 #__ type_ start__ end____ width___ exp.time_ 2 omega -120.00 -5.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - -41.6909 -19.0000 -180.0000 115 #__ type_ start__ end____ width___ exp.time_ 3 omega -112.00 -15.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - -41.6909 -57.0000 90.0000 97 #__ type_ start__ end____ width___ exp.time_ 4 omega -68.00 28.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - -41.6909 57.0000 -120.0000 96 #__ type_ start__ end____ width___ exp.time_ 5 omega 19.00 114.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 41.6909 38.0000 -30.0000 95 #__ type_ start__ end____ width___ exp.time_ 6 omega 23.00 97.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 41.6909 -125.0000 60.0000 74 #__ type_ start__ end____ width___ exp.time_ 7 omega -31.00 64.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 41.6909 -38.0000 60.0000 95 #__ type_ start__ end____ width___ exp.time_ 8 omega 15.00 112.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 41.6909 57.0000 90.0000 97 #__ type_ start__ end____ width___ exp.time_ 9 omega 13.00 45.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 46.0000 82.0000 -27.4258 32 #__ type_ start__ end____ width___ exp.time_ 10 omega 14.00 49.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 46.0000 78.0000 62.4325 35 #__ type_ start__ end____ width___ exp.time_ 11 omega 17.00 45.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 50.0000 82.0000 31.2664 28 #__ type_ start__ end____ width___ exp.time_ 12 omega 18.00 47.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 50.0000 79.0000 -74.4647 29 #__ type_ start__ end____ width___ exp.time_ 13 omega 17.00 45.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 50.0000 82.0000 -145.2904 28 #__ type_ start__ end____ width___ exp.time_ 14 omega 17.00 45.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 50.0000 82.0000 117.7271 28 #__ type_ start__ end____ width___ exp.time_ 15 omega 22.00 49.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 54.0000 78.0000 -169.9371 27 #__ type_ start__ end____ width___ exp.time_ 16 omega 27.00 132.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 58.0000 77.0000 133.9418 105 #__ type_ start__ end____ width___ exp.time_ 17 omega 35.00 139.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 66.0000 75.0000 167.8308 104 #__ type_ start__ end____ width___ exp.time_ 18 omega 35.00 140.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 66.0000 77.0000 21.8154 105 #__ type_ start__ end____ width___ exp.time_ 19 omega 35.00 139.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 66.0000 75.0000 73.0210 104 #__ type_ start__ end____ width___ exp.time_ 20 omega 35.00 139.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 66.0000 76.0000 -53.8478 104 #__ type_ start__ end____ width___ exp.time_ 21 omega 39.00 144.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 70.0000 77.0000 -175.0284 105 #__ type_ start__ end____ width___ exp.time_ 22 omega 39.00 144.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 70.0000 77.0000 -7.3228 105 #__ type_ start__ end____ width___ exp.time_ 23 omega 39.00 140.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 70.0000 75.0000 -38.1485 101 #__ type_ start__ end____ width___ exp.time_ 24 omega 39.00 65.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 70.0000 75.0000 -120.6471 26 #__ type_ start__ end____ width___ exp.time_ 25 omega 39.00 70.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 70.0000 76.0000 -88.5934 31 #__ type_ start__ end____ width___ exp.time_ 26 omega 39.00 70.00 1.0000 1.0000 omega____ theta____ kappa____ phi______ frames - 70.0000 77.0000 131.2956 31 #__ type_ start__ end____ width___ exp.time_ 27 omega 43.00 84.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 74.0000 77.0000 78.4512 41 #__ type_ start__ end____ width___ exp.time_ 28 omega 107.00 148.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 74.0000 77.0000 78.4512 41 #__ type_ start__ end____ width___ exp.time_ 29 omega 45.00 135.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 -77.0000 120.0000 90 #__ type_ start__ end____ width___ exp.time_ 30 omega 75.00 172.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 -30.0000 97 #__ type_ start__ end____ width___ exp.time_ 31 omega 75.00 170.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 60.0000 95 #__ type_ start__ end____ width___ exp.time_ 32 omega 78.00 108.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 61.0000 150.0000 30 #__ type_ start__ end____ width___ exp.time_ 33 omega 150.00 177.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 -120.0000 27 #__ type_ start__ end____ width___ exp.time_ 34 omega 75.00 149.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 -120.0000 74 #__ type_ start__ end____ width___ exp.time_ 35 omega 75.00 176.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 0.0000 101 #__ type_ start__ end____ width___ exp.time_ 36 omega 113.00 175.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 -60.0000 62 #__ type_ start__ end____ width___ exp.time_ 37 omega 75.00 164.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 -90.0000 89 #__ type_ start__ end____ width___ exp.time_ 38 omega 27.00 109.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 -94.0000 60.0000 82 #__ type_ start__ end____ width___ exp.time_ 39 omega 75.00 167.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 150.0000 92 #__ type_ start__ end____ width___ exp.time_ 40 omega 114.00 149.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 120.0000 35 #__ type_ start__ end____ width___ exp.time_ 41 omega 75.00 174.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 -150.0000 99 #__ type_ start__ end____ width___ exp.time_ 42 omega 76.00 101.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 -60.0000 25 #__ type_ start__ end____ width___ exp.time_ 43 omega 75.00 101.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 120.0000 26 #__ type_ start__ end____ width___ exp.time_ 44 omega 78.00 105.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 61.0000 30.0000 27 #__ type_ start__ end____ width___ exp.time_ 45 omega 76.00 143.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 30.0000 67 #__ type_ start__ end____ width___ exp.time_ 46 omega 82.00 114.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 61.0000 -30.0000 32 #__ type_ start__ end____ width___ exp.time_ 47 omega 75.00 171.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 90.0000 96 #__ type_ start__ end____ width___ exp.time_ 48 omega 75.00 151.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 77.0000 -180.0000 76 #__ type_ start__ end____ width___ exp.time_ 49 omega 138.00 174.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 125.0000 60.0000 36 #__ type_ start__ end____ width___ exp.time_ 50 omega 34.00 120.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 -125.0000 -60.0000 86 #__ type_ start__ end____ width___ exp.time_ 51 omega 26.00 103.00 1.0000 3.0000 omega____ theta____ kappa____ phi______ frames - 105.9955 -94.0000 0.0000 77 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, AtlasS2' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 0.1067581000 _diffrn_orient_matrix_UB_12 -0.1439728000 _diffrn_orient_matrix_UB_13 0.0181240000 _diffrn_orient_matrix_UB_21 -0.0725353000 _diffrn_orient_matrix_UB_22 -0.0128200000 _diffrn_orient_matrix_UB_23 0.0680176000 _diffrn_orient_matrix_UB_31 -0.0904483000 _diffrn_orient_matrix_UB_32 -0.0626866000 _diffrn_orient_matrix_UB_33 -0.0339086000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_source 'sealed X-ray tube' _diffrn_source_type 'SuperNova (Cu) X-ray Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 7002 _reflns_number_total 7410 _reflns_odcompleteness_completeness 99.93 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 67.96 _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, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _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 0.721 _refine_diff_density_min -0.570 _refine_diff_density_rms 0.070 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.022 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 537 _refine_ls_number_reflns 7410 _refine_ls_number_restraints 36 _refine_ls_R_factor_all 0.0596 _refine_ls_R_factor_gt 0.0569 _refine_ls_restrained_S_all 1.045 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0884P)^2^+1.6026P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1546 _refine_ls_wR_factor_ref 0.1570 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2. Rigid body (RIGU) restrains C44, C43, C42, C47, C46, C45 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 3. Others Sof(C46A)=Sof(H46A)=Sof(C47A)=Sof(H47A)=Sof(C42A)=Sof(H42A)=Sof(C43A)= Sof(H43A)=Sof(C44A)=Sof(H44A)=Sof(C45A)=Sof(H45A)=1-FVAR(1) Sof(C44)=Sof(H44)=Sof(C43)=Sof(H43)=Sof(C42)=Sof(H42)=Sof(C47)=Sof(H47)= Sof(C46)=Sof(H46)=Sof(C45)=Sof(H45)=FVAR(1) Sof(C37A)=Sof(H37A)=Sof(C38A)=Sof(H38A)=Sof(C39A)=Sof(H39A)=Sof(C40A)= Sof(H40A)=Sof(C41A)=Sof(H41A)=Sof(C36A)=Sof(H36A)=1-FVAR(2) Sof(C40)=Sof(H40)=Sof(C39)=Sof(H39)=Sof(C38)=Sof(H38)=Sof(C41)=Sof(H41)= Sof(C37)=Sof(H37)=Sof(C36)=Sof(H36)=FVAR(2) 4.a Ternary CH refined with riding coordinates: C7(H7), C10(H10), C33(H33), C18(H18), C30(H30), C19(H19), C20(H20) 4.b Secondary CH2 refined with riding coordinates: C15(H15A,H15B), C22(H22A,H22B), C17(H17A,H17B), C16(H16A,H16B), C23(H23A, H23B), C21(H21A,H21B) 4.c Aromatic/amide H refined with riding coordinates: C5(H5), C3(H3), C4(H4), C28(H28), C27(H27), C26(H26), C44(H44), C43(H43), C42(H42), C47(H47), C46(H46), C45(H45), C46A(H46A), C47A(H47A), C42A(H42A), C43A(H43A), C44A(H44A), C45A(H45A), C40(H40), C39(H39), C38(H38), C41(H41), C37(H37), C36(H36), C37A(H37A), C38A(H38A), C39A(H39A), C40A(H40A), C41A(H41A), C36A(H36A) 4.d Fitted hexagon refined as free rotating group: C44(C43,C42,C47,C46,C45), C46A(C47A,C42A,C43A,C44A,C45A), C37A(C38A,C39A,C40A, C41A,C36A) 4.e Idealised Me refined as rotating group: C12(H12A,H12B,H12C), C35(H35A,H35B,H35C), C9(H9A,H9B,H9C), C11(H11A,H11B, H11C), C8(H8A,H8B,H8C), C34(H34A,H34B,H34C), C32(H32A,H32B,H32C), C31(H31A, H31B,H31C) ; _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary ? loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Ca1 Ca 0.50796(4) 0.62009(4) 0.43771(2) 0.02311(14) Uani 1 1 d . . . . . N1 N 0.56891(15) 0.85954(15) 0.31241(8) 0.0194(3) Uani 1 1 d . . . . . N2 N 0.55340(16) 0.64505(15) 0.32185(8) 0.0208(3) Uani 1 1 d . . . . . C2 C 0.6373(2) 0.81314(18) 0.43202(10) 0.0208(4) Uani 1 1 d . . . . . C6 C 0.39391(19) 0.90291(18) 0.39976(10) 0.0209(4) Uani 1 1 d . . . . . C13 C 0.57627(18) 0.75010(18) 0.28391(9) 0.0190(4) Uani 1 1 d . . . . . C5 C 0.3605(2) 0.89385(19) 0.46810(11) 0.0253(4) Uani 1 1 d . . . . . H5 H 0.2689 0.9215 0.4805 0.030 Uiso 1 1 calc R . . . . C3 C 0.5979(2) 0.8069(2) 0.50003(10) 0.0254(4) Uani 1 1 d . . . . . H3 H 0.6648 0.7770 0.5337 0.030 Uiso 1 1 calc R . . . . C7 C 0.7869(2) 0.7693(2) 0.41125(10) 0.0239(4) Uani 1 1 d . . . . . H7 H 0.8001 0.7071 0.3764 0.029 Uiso 1 1 calc R . . . . C1 C 0.53453(19) 0.85903(18) 0.38052(10) 0.0194(4) Uani 1 1 d . . . . . C10 C 0.28539(19) 0.95773(19) 0.34421(10) 0.0237(4) Uani 1 1 d . . . . . H10 H 0.3152 0.8986 0.3077 0.028 Uiso 1 1 calc R . . . . C24 C 0.5654(2) 0.51363(19) 0.30572(9) 0.0212(4) Uani 1 1 d . . . . . C29 C 0.6952(2) 0.4071(2) 0.30471(10) 0.0237(4) Uani 1 1 d . . . . . C25 C 0.4457(2) 0.4814(2) 0.30333(10) 0.0252(4) Uani 1 1 d . . . . . C33 C 0.8272(2) 0.4342(2) 0.31192(11) 0.0272(4) Uani 1 1 d . . . . . H33 H 0.8044 0.5336 0.3068 0.033 Uiso 1 1 calc R . . . . C4 C 0.4608(2) 0.8444(2) 0.51848(11) 0.0275(4) Uani 1 1 d . . . . . H4 H 0.4366 0.8366 0.5639 0.033 Uiso 1 1 calc R . . . . C15 C 0.4948(2) 0.8935(2) 0.17355(10) 0.0249(4) Uani 1 1 d . . . . . H15A H 0.4056 0.8851 0.1798 0.030 Uiso 1 1 calc R . . . . H15B H 0.4943 0.9714 0.1955 0.030 Uiso 1 1 calc R . . . . C28 C 0.7003(2) 0.2751(2) 0.29842(10) 0.0272(4) Uani 1 1 d . . . . . H28 H 0.7850 0.2052 0.2981 0.033 Uiso 1 1 calc R . . . . C27 C 0.5833(2) 0.2448(2) 0.29266(11) 0.0291(5) Uani 1 1 d . . . . . H27 H 0.5891 0.1565 0.2869 0.035 Uiso 1 1 calc R . . . . C18 C 0.5216(2) 0.9178(2) 0.09753(10) 0.0299(5) Uani 1 1 d . . . . . H18 H 0.4502 1.0014 0.0777 0.036 Uiso 1 1 calc R . . . . C14 C 0.6059(2) 0.76178(19) 0.20716(10) 0.0225(4) Uani 1 1 d . . . . . C30 C 0.3037(2) 0.5903(2) 0.30801(12) 0.0321(5) Uani 1 1 d . . . . . H30 H 0.3141 0.6586 0.3348 0.039 Uiso 1 1 calc R . . . . C22 C 0.5202(3) 0.7967(2) 0.06258(11) 0.0358(5) Uani 1 1 d . . . . . H22A H 0.5365 0.8118 0.0144 0.043 Uiso 1 1 calc R . . . . H22B H 0.4316 0.7866 0.0683 0.043 Uiso 1 1 calc R . . . . C26 C 0.4575(2) 0.3480(2) 0.29561(11) 0.0287(4) Uani 1 1 d . . . . . H26 H 0.3784 0.3277 0.2924 0.034 Uiso 1 1 calc R . . . . C12 C 0.1445(2) 0.9579(2) 0.36677(12) 0.0323(5) Uani 1 1 d . . . . . H12A H 0.1517 0.8677 0.3861 0.048 Uiso 1 1 calc GR . . . . H12B H 0.0838 0.9853 0.3283 0.048 Uiso 1 1 calc GR . . . . H12C H 0.1093 1.0209 0.4000 0.048 Uiso 1 1 calc GR . . . . C19 C 0.6322(3) 0.6670(2) 0.09407(11) 0.0376(6) Uani 1 1 d . . . . . H19 H 0.6323 0.5888 0.0716 0.045 Uiso 1 1 calc R . . . . C17 C 0.7456(2) 0.7802(2) 0.19557(11) 0.0305(5) Uani 1 1 d . . . . . H17A H 0.7462 0.8577 0.2176 0.037 Uiso 1 1 calc R . . . . H17B H 0.8177 0.6993 0.2157 0.037 Uiso 1 1 calc R . . . . C35 C 0.8901(2) 0.3788(2) 0.38254(12) 0.0355(5) Uani 1 1 d . . . . . H35A H 0.8256 0.4204 0.4163 0.053 Uiso 1 1 calc GR . . . . H35B H 0.9715 0.3999 0.3864 0.053 Uiso 1 1 calc GR . . . . H35C H 0.9127 0.2815 0.3892 0.053 Uiso 1 1 calc GR . . . . C9 C 0.8861(2) 0.6922(2) 0.46936(12) 0.0344(5) Uani 1 1 d . . . . . H9A H 0.8781 0.7517 0.5037 0.052 Uiso 1 1 calc GR . . . . H9B H 0.9780 0.6624 0.4525 0.052 Uiso 1 1 calc GR . . . . H9C H 0.8644 0.6142 0.4884 0.052 Uiso 1 1 calc GR . . . . C11 C 0.2773(2) 1.1020(2) 0.31488(12) 0.0295(5) Uani 1 1 d . . . . . H11A H 0.2423 1.1639 0.3487 0.044 Uiso 1 1 calc GR . . . . H11B H 0.2175 1.1319 0.2761 0.044 Uiso 1 1 calc GR . . . . H11C H 0.3669 1.1005 0.3016 0.044 Uiso 1 1 calc GR . . . . C16 C 0.6055(2) 0.6413(2) 0.17020(10) 0.0293(5) Uani 1 1 d . . . . . H16A H 0.6757 0.5579 0.1895 0.035 Uiso 1 1 calc R . . . . H16B H 0.5178 0.6297 0.1764 0.035 Uiso 1 1 calc R . . . . C8 C 0.8216(2) 0.8927(2) 0.37925(12) 0.0292(5) Uani 1 1 d . . . . . H8A H 0.7586 0.9401 0.3429 0.044 Uiso 1 1 calc GR . . . . H8B H 0.9131 0.8619 0.3619 0.044 Uiso 1 1 calc GR . . . . H8C H 0.8147 0.9533 0.4129 0.044 Uiso 1 1 calc GR . . . . C34 C 0.9328(2) 0.3757(2) 0.25771(12) 0.0324(5) Uani 1 1 d . . . . . H34A H 0.9617 0.2777 0.2634 0.049 Uiso 1 1 calc GR . . . . H34B H 1.0104 0.4028 0.2622 0.049 Uiso 1 1 calc GR . . . . H34C H 0.8926 0.4099 0.2135 0.049 Uiso 1 1 calc GR . . . . C20 C 0.7730(2) 0.8039(3) 0.11939(12) 0.0383(5) Uani 1 1 d . . . . . H20 H 0.8624 0.8140 0.1130 0.046 Uiso 1 1 calc R . . . . C23 C 0.7712(3) 0.6836(3) 0.08429(12) 0.0456(7) Uani 1 1 d . . . . . H23A H 0.8426 0.6007 0.1031 0.055 Uiso 1 1 calc R . . . . H23B H 0.7886 0.6989 0.0363 0.055 Uiso 1 1 calc R . . . . C21 C 0.6611(3) 0.9341(2) 0.08798(11) 0.0348(5) Uani 1 1 d . . . . . H21A H 0.6615 1.0120 0.1096 0.042 Uiso 1 1 calc R . . . . H21B H 0.6786 0.9502 0.0400 0.042 Uiso 1 1 calc R . . . . C32 C 0.1999(2) 0.5371(3) 0.34450(13) 0.0413(6) Uani 1 1 d . . . . . H32A H 0.1801 0.4760 0.3177 0.062 Uiso 1 1 calc GR . . . . H32B H 0.1175 0.6125 0.3512 0.062 Uiso 1 1 calc GR . . . . H32C H 0.2365 0.4892 0.3877 0.062 Uiso 1 1 calc GR . . . . C31 C 0.2500(3) 0.6630(4) 0.24055(17) 0.0730(12) Uani 1 1 d . . . . . H31A H 0.3132 0.7031 0.2197 0.110 Uiso 1 1 calc GR . . . . H31B H 0.1632 0.7337 0.2460 0.110 Uiso 1 1 calc GR . . . . H31C H 0.2390 0.5994 0.2123 0.110 Uiso 1 1 calc GR . . . . C44 C 0.1884(6) 0.5571(8) 0.0797(3) 0.073(3) Uani 0.429(9) 1 d . U P A 1 H44 H 0.1110 0.6326 0.0666 0.088 Uiso 0.429(9) 1 calc R . P A 1 C43 C 0.3172(8) 0.5568(9) 0.0594(3) 0.072(3) Uani 0.429(9) 1 d G U P A 1 H43 H 0.3259 0.6321 0.0329 0.087 Uiso 0.429(9) 1 calc R . P A 1 C42 C 0.4330(6) 0.4440(10) 0.0789(4) 0.068(3) Uani 0.429(9) 1 d G U P A 1 H42 H 0.5191 0.4438 0.0654 0.082 Uiso 0.429(9) 1 calc R . P A 1 C47 C 0.4200(6) 0.3315(9) 0.1186(4) 0.061(3) Uani 0.429(9) 1 d G U P A 1 H47 H 0.4974 0.2560 0.1317 0.074 Uiso 0.429(9) 1 calc R . P A 1 C46 C 0.2912(8) 0.3318(8) 0.1389(3) 0.069(2) Uani 0.429(9) 1 d G U P A 1 H46 H 0.2825 0.2565 0.1654 0.083 Uiso 0.429(9) 1 calc R . P A 1 C45 C 0.1754(6) 0.4446(9) 0.1194(3) 0.069(2) Uani 0.429(9) 1 d G U P A 1 H45 H 0.0893 0.4448 0.1329 0.083 Uiso 0.429(9) 1 calc R . P A 1 C46A C 0.1759(4) 0.5064(4) 0.0656(2) 0.0516(16) Uani 0.571(9) 1 d . . P A 2 H46A H 0.1065 0.5801 0.0435 0.062 Uiso 0.571(9) 1 calc R . P A 2 C47A C 0.3061(5) 0.5118(4) 0.0706(2) 0.066(2) Uani 0.571(9) 1 d G . P A 2 H47A H 0.3238 0.5891 0.0520 0.079 Uiso 0.571(9) 1 calc R . P A 2 C42A C 0.4099(4) 0.4016(4) 0.1036(2) 0.0482(16) Uani 0.571(9) 1 d G . P A 2 H42A H 0.4970 0.4052 0.1070 0.058 Uiso 0.571(9) 1 calc R . P A 2 C43A C 0.3835(5) 0.2861(4) 0.13152(19) 0.0430(14) Uani 0.571(9) 1 d G . P A 2 H43A H 0.4529 0.2124 0.1536 0.052 Uiso 0.571(9) 1 calc R . P A 2 C44A C 0.2533(5) 0.2808(4) 0.1264(2) 0.0555(18) Uani 0.571(9) 1 d G . P A 2 H44A H 0.2356 0.2035 0.1451 0.067 Uiso 0.571(9) 1 calc R . P A 2 C45A C 0.1495(3) 0.3909(4) 0.0935(3) 0.0550(19) Uani 0.571(9) 1 d G . P A 2 H45A H 0.0624 0.3873 0.0901 0.066 Uiso 0.571(9) 1 calc R . P A 2 H H 0.360(2) 0.541(2) 0.4909(11) 0.021(5) Uiso 1 1 d . . . . . C40 C 0.8372(9) 1.1636(12) 0.1450(5) 0.052(2) Uani 0.498(4) 1 d . . P B 1 H40 H 0.7476 1.1808 0.1594 0.063 Uiso 0.498(4) 1 calc R . P B 1 C39 C 0.9372(9) 1.0484(12) 0.1706(6) 0.054(2) Uani 0.498(4) 1 d . . P B 1 H39 H 0.9159 0.9865 0.2022 0.064 Uiso 0.498(4) 1 calc R . P B 1 C38 C 1.0725(7) 1.0213(10) 0.1502(6) 0.053(2) Uani 0.498(4) 1 d . . P B 1 H38 H 1.1424 0.9428 0.1682 0.064 Uiso 0.498(4) 1 calc R . P B 1 C41 C 0.8659(7) 1.2549(7) 0.0983(3) 0.0535(16) Uani 0.498(4) 1 d . . P B 1 H41 H 0.7962 1.3343 0.0812 0.064 Uiso 0.498(4) 1 calc R . P B 1 C37 C 1.0992(6) 1.1143(8) 0.1028(4) 0.0641(19) Uani 0.498(4) 1 d . . P B 1 H37 H 1.1884 1.0985 0.0880 0.077 Uiso 0.498(4) 1 calc R . P B 1 C36 C 0.9957(7) 1.2302(8) 0.0769(3) 0.0629(18) Uani 0.498(4) 1 d . . P B 1 H36 H 1.0149 1.2921 0.0445 0.076 Uiso 0.498(4) 1 calc R . P B 1 C37A C 1.0877(5) 0.9623(5) 0.1050(3) 0.092(3) Uani 0.502(4) 1 d . . P B -1 H37A H 1.1642 0.8855 0.1177 0.110 Uiso 0.502(4) 1 calc R . P B -1 C38A C 1.0006(7) 1.0303(7) 0.1542(2) 0.090(6) Uani 0.502(4) 1 d G . P B -1 H38A H 1.0189 0.9990 0.1999 0.108 Uiso 0.502(4) 1 calc R . P B -1 C39A C 0.8862(7) 1.1450(7) 0.1352(2) 0.066(3) Uani 0.502(4) 1 d G . P B -1 H39A H 0.8280 1.1905 0.1682 0.079 Uiso 0.502(4) 1 calc R . P B -1 C40A C 0.8589(5) 1.1917(5) 0.0670(2) 0.068(2) Uani 0.502(4) 1 d G . P B -1 H40A H 0.7823 1.2684 0.0543 0.082 Uiso 0.502(4) 1 calc R . P B -1 C41A C 0.9459(5) 1.1237(5) 0.01775(19) 0.081(3) Uani 0.502(4) 1 d G . P B -1 H41A H 0.9276 1.1549 -0.0279 0.098 Uiso 0.502(4) 1 calc R . P B -1 C36A C 1.0603(5) 1.0090(4) 0.0367(3) 0.067(2) Uani 0.502(4) 1 d G . P B -1 H36A H 1.1186 0.9635 0.0038 0.081 Uiso 0.502(4) 1 calc R . P B -1 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 Ca1 0.0278(2) 0.0180(2) 0.0232(2) 0.00380(15) 0.00065(15) -0.00946(16) N1 0.0174(8) 0.0156(7) 0.0242(8) 0.0029(6) -0.0025(6) -0.0061(6) N2 0.0224(8) 0.0154(7) 0.0238(8) 0.0020(6) -0.0007(6) -0.0069(6) C2 0.0214(9) 0.0144(8) 0.0269(10) 0.0011(7) -0.0027(7) -0.0074(7) C6 0.0199(9) 0.0128(8) 0.0305(10) -0.0002(7) 0.0001(8) -0.0071(7) C13 0.0135(8) 0.0162(9) 0.0252(9) 0.0035(7) -0.0033(7) -0.0042(7) C5 0.0233(10) 0.0188(9) 0.0335(11) -0.0027(8) 0.0030(8) -0.0074(8) C3 0.0298(11) 0.0194(9) 0.0270(10) 0.0009(7) -0.0053(8) -0.0094(8) C7 0.0197(9) 0.0222(9) 0.0277(10) 0.0008(8) -0.0039(8) -0.0056(8) C1 0.0195(9) 0.0119(8) 0.0265(10) 0.0021(7) -0.0024(7) -0.0061(7) C10 0.0182(9) 0.0190(9) 0.0324(10) 0.0006(8) -0.0028(8) -0.0054(7) C24 0.0262(10) 0.0175(9) 0.0187(9) 0.0027(7) -0.0013(7) -0.0076(8) C29 0.0272(10) 0.0201(9) 0.0206(9) 0.0021(7) -0.0031(7) -0.0055(8) C25 0.0277(10) 0.0200(9) 0.0269(10) 0.0008(7) 0.0009(8) -0.0083(8) C33 0.0240(10) 0.0217(10) 0.0319(11) -0.0004(8) -0.0058(8) -0.0035(8) C4 0.0337(11) 0.0232(10) 0.0251(10) -0.0012(8) 0.0040(8) -0.0104(8) C15 0.0247(10) 0.0207(9) 0.0260(10) 0.0049(7) -0.0042(8) -0.0058(8) C28 0.0308(11) 0.0184(9) 0.0273(10) 0.0016(8) -0.0044(8) -0.0033(8) C27 0.0380(12) 0.0172(9) 0.0318(11) -0.0001(8) -0.0018(9) -0.0099(9) C18 0.0372(12) 0.0240(10) 0.0255(10) 0.0067(8) -0.0063(9) -0.0093(9) C14 0.0224(10) 0.0185(9) 0.0239(10) 0.0045(7) -0.0019(7) -0.0056(8) C30 0.0259(11) 0.0230(10) 0.0491(13) -0.0055(9) 0.0029(9) -0.0104(9) C22 0.0519(14) 0.0349(12) 0.0223(10) 0.0038(9) -0.0041(9) -0.0192(11) C26 0.0297(11) 0.0243(10) 0.0343(11) 0.0000(8) 0.0004(9) -0.0134(9) C12 0.0201(10) 0.0300(11) 0.0454(13) 0.0005(9) -0.0009(9) -0.0085(8) C19 0.0604(16) 0.0256(11) 0.0247(11) -0.0011(8) 0.0034(10) -0.0135(11) C17 0.0222(10) 0.0370(12) 0.0289(11) 0.0061(9) 0.0000(8) -0.0094(9) C35 0.0281(11) 0.0389(12) 0.0341(12) -0.0006(9) -0.0077(9) -0.0056(9) C9 0.0236(10) 0.0364(12) 0.0358(12) 0.0028(9) -0.0076(9) -0.0028(9) C11 0.0229(10) 0.0215(10) 0.0407(12) 0.0048(8) -0.0053(9) -0.0058(8) C16 0.0397(12) 0.0211(10) 0.0241(10) 0.0019(8) 0.0005(9) -0.0083(9) C8 0.0207(10) 0.0287(11) 0.0395(12) -0.0001(9) -0.0019(8) -0.0113(8) C34 0.0252(11) 0.0315(11) 0.0378(12) -0.0016(9) -0.0009(9) -0.0074(9) C20 0.0306(12) 0.0477(14) 0.0325(12) 0.0065(10) 0.0060(9) -0.0129(10) C23 0.0521(15) 0.0402(13) 0.0287(12) 0.0047(10) 0.0139(11) -0.0009(11) C21 0.0465(14) 0.0352(12) 0.0246(10) 0.0072(9) 0.0015(9) -0.0201(11) C32 0.0255(11) 0.0487(14) 0.0458(14) 0.0053(11) 0.0007(10) -0.0115(10) C31 0.0419(16) 0.070(2) 0.064(2) 0.0349(17) 0.0135(14) 0.0182(15) C44 0.091(6) 0.071(6) 0.053(4) -0.029(4) -0.010(4) -0.015(4) C43 0.120(6) 0.067(6) 0.046(5) -0.008(4) -0.004(4) -0.052(5) C42 0.068(5) 0.108(7) 0.058(5) -0.037(4) 0.014(4) -0.060(4) C47 0.068(5) 0.054(6) 0.063(5) -0.019(4) -0.020(4) -0.017(4) C46 0.113(6) 0.082(6) 0.041(4) 0.001(4) -0.014(4) -0.070(4) C45 0.064(4) 0.123(6) 0.045(4) -0.034(4) 0.002(3) -0.055(4) C46A 0.047(3) 0.039(3) 0.056(4) -0.002(3) -0.003(2) 0.000(2) C47A 0.123(7) 0.041(3) 0.037(3) 0.003(2) -0.003(3) -0.037(4) C42A 0.059(3) 0.031(3) 0.057(4) 0.008(3) -0.007(3) -0.023(3) C43A 0.053(4) 0.034(3) 0.043(3) -0.002(2) -0.005(2) -0.017(3) C44A 0.079(4) 0.049(3) 0.038(3) -0.004(2) 0.009(3) -0.023(3) C45A 0.051(3) 0.063(3) 0.045(3) -0.009(3) 0.012(2) -0.014(3) C40 0.035(4) 0.074(5) 0.058(4) -0.025(4) -0.005(3) -0.025(3) C39 0.051(5) 0.057(5) 0.067(5) 0.001(4) -0.004(4) -0.037(4) C38 0.033(4) 0.043(4) 0.080(6) -0.001(3) -0.006(4) -0.009(4) C41 0.054(4) 0.048(4) 0.057(4) -0.006(3) -0.018(3) -0.015(3) C37 0.035(3) 0.084(5) 0.073(4) -0.004(4) 0.008(3) -0.023(3) C36 0.064(4) 0.080(5) 0.053(4) 0.015(3) -0.008(3) -0.043(4) C37A 0.074(5) 0.072(5) 0.111(7) -0.027(5) -0.039(5) 0.005(4) C38A 0.109(15) 0.075(7) 0.068(10) 0.007(7) -0.055(12) -0.011(12) C39A 0.088(9) 0.062(6) 0.053(5) -0.010(4) 0.001(5) -0.034(6) C40A 0.065(4) 0.065(4) 0.055(4) 0.003(3) 0.004(3) -0.002(3) C41A 0.111(6) 0.062(4) 0.051(4) 0.011(3) 0.023(4) -0.011(4) C36A 0.061(4) 0.053(4) 0.094(5) -0.020(3) 0.032(4) -0.027(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 Ca1 Ca1 3.3694(7) 2_666 ? Ca1 N2 2.3356(16) . ? Ca1 C2 2.8025(19) . ? Ca1 C6 2.8061(18) . ? Ca1 C5 2.868(2) . ? Ca1 C3 2.870(2) . ? Ca1 C1 2.7387(18) . ? Ca1 C4 2.895(2) . ? Ca1 H 2.19(2) . ? N1 C13 1.318(2) . ? N1 C1 1.387(2) . ? N2 C13 1.352(2) . ? N2 C24 1.417(2) . ? C2 C3 1.399(3) . ? C2 C7 1.521(3) . ? C2 C1 1.425(3) . ? C6 C5 1.390(3) . ? C6 C1 1.428(3) . ? C6 C10 1.521(3) . ? C13 C14 1.543(3) . ? C5 H5 0.9300 . ? C5 C4 1.392(3) . ? C3 H3 0.9300 . ? C3 C4 1.392(3) . ? C7 H7 0.9800 . ? C7 C9 1.528(3) . ? C7 C8 1.532(3) . ? C10 H10 0.9800 . ? C10 C12 1.523(3) . ? C10 C11 1.536(3) . ? C24 C29 1.422(3) . ? C24 C25 1.412(3) . ? C29 C33 1.520(3) . ? C29 C28 1.390(3) . ? C25 C30 1.527(3) . ? C25 C26 1.391(3) . ? C33 H33 0.9800 . ? C33 C35 1.531(3) . ? C33 C34 1.530(3) . ? C4 H4 0.9300 . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C15 C18 1.534(3) . ? C15 C14 1.554(2) . ? C28 H28 0.9300 . ? C28 C27 1.380(3) . ? C27 H27 0.9300 . ? C27 C26 1.382(3) . ? C18 H18 0.9800 . ? C18 C22 1.525(3) . ? C18 C21 1.530(3) . ? C14 C17 1.546(3) . ? C14 C16 1.537(3) . ? C30 H30 0.9800 . ? C30 C32 1.515(3) . ? C30 C31 1.486(4) . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C22 C19 1.531(3) . ? C26 H26 0.9300 . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C19 H19 0.9800 . ? C19 C16 1.537(3) . ? C19 C23 1.527(4) . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C17 C20 1.537(3) . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 0.9600 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C34 H34A 0.9600 . ? C34 H34B 0.9600 . ? C34 H34C 0.9600 . ? C20 H20 0.9800 . ? C20 C23 1.520(4) . ? C20 C21 1.533(3) . ? C23 H23A 0.9700 . ? C23 H23B 0.9700 . ? C21 H21A 0.9700 . ? C21 H21B 0.9700 . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? C31 H31A 0.9600 . ? C31 H31B 0.9600 . ? C31 H31C 0.9600 . ? C44 H44 0.9300 . ? C44 C43 1.3900 . ? C44 C45 1.3900 . ? C43 H43 0.9300 . ? C43 C42 1.3900 . ? C42 H42 0.9300 . ? C42 C47 1.3900 . ? C47 H47 0.9300 . ? C47 C46 1.3900 . ? C46 H46 0.9300 . ? C46 C45 1.3900 . ? C45 H45 0.9300 . ? C46A H46A 0.9300 . ? C46A C47A 1.3900 . ? C46A C45A 1.3900 . ? C47A H47A 0.9300 . ? C47A C42A 1.3900 . ? C42A H42A 0.9300 . ? C42A C43A 1.3900 . ? C43A H43A 0.9300 . ? C43A C44A 1.3900 . ? C44A H44A 0.9300 . ? C44A C45A 1.3900 . ? C45A H45A 0.9300 . ? C40 H40 0.9300 . ? C40 C39 1.348(16) . ? C40 C41 1.361(12) . ? C40 C38A 1.784(12) . ? C40 C39A 0.519(10) . ? C40 C40A 1.567(12) . ? C39 H39 0.9300 . ? C39 C38 1.395(12) . ? C39 C37A 2.027(10) . ? C39 C38A 0.701(10) . ? C39 C39A 1.135(14) . ? C38 H38 0.9300 . ? C38 C37 1.372(13) . ? C38 C37A 1.126(13) . ? C38 C38A 0.726(9) . ? C38 C39A 1.931(9) . ? C41 H41 0.9300 . ? C41 C36 1.350(9) . ? C41 C39A 1.250(10) . ? C41 C40A 0.984(8) . ? C37 H37 0.9300 . ? C37 C36 1.372(10) . ? C37 C37A 1.642(9) . ? C37 C38A 1.802(10) . ? C37 C36A 1.951(9) . ? C36 H36 0.9300 . ? C36 C39A 1.961(9) . ? C36 C40A 1.643(9) . ? C36 C41A 1.916(9) . ? C37A H37A 0.9300 . ? C37A C38A 1.3900 . ? C37A C36A 1.3900 . ? C38A H38A 0.9300 . ? C38A C39A 1.3900 . ? C39A H39A 0.9300 . ? C39A C40A 1.3900 . ? C40A H40A 0.9300 . ? C40A C41A 1.3900 . ? C41A H41A 0.9300 . ? C41A C36A 1.3900 . ? C36A H36A 0.9300 . ? 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 Ca1 Ca1 H 39.2(6) 2_666 . ? N2 Ca1 Ca1 140.46(4) . 2_666 ? N2 Ca1 C2 79.02(6) . . ? N2 Ca1 C6 75.78(6) . . ? N2 Ca1 C5 104.10(6) . . ? N2 Ca1 C3 107.41(6) . . ? N2 Ca1 C1 60.93(6) . . ? N2 Ca1 C4 120.79(6) . . ? N2 Ca1 H 129.6(6) . . ? C2 Ca1 Ca1 131.33(4) . 2_666 ? C2 Ca1 C6 52.02(5) . . ? C2 Ca1 C5 59.25(6) . . ? C2 Ca1 C3 28.51(6) . . ? C2 Ca1 C4 50.58(6) . . ? C2 Ca1 H 146.3(6) . . ? C6 Ca1 Ca1 140.75(4) . 2_666 ? C6 Ca1 C5 28.33(6) . . ? C6 Ca1 C3 59.10(6) . . ? C6 Ca1 C4 50.41(6) . . ? C6 Ca1 H 111.8(6) . . ? C5 Ca1 Ca1 113.24(4) . 2_666 ? C5 Ca1 C3 49.48(6) . . ? C5 Ca1 C4 27.96(6) . . ? C5 Ca1 H 92.8(6) . . ? C3 Ca1 Ca1 106.51(4) . 2_666 ? C3 Ca1 C4 27.94(6) . . ? C3 Ca1 H 119.2(6) . . ? C1 Ca1 Ca1 157.46(5) . 2_666 ? C1 Ca1 C2 29.77(5) . . ? C1 Ca1 C6 29.82(5) . . ? C1 Ca1 C5 51.35(6) . . ? C1 Ca1 C3 51.36(6) . . ? C1 Ca1 C4 60.00(6) . . ? C1 Ca1 H 141.5(6) . . ? C4 Ca1 Ca1 98.63(4) . 2_666 ? C4 Ca1 H 95.8(6) . . ? C13 N1 C1 116.26(15) . . ? C13 N2 Ca1 129.18(13) . . ? C13 N2 C24 130.82(16) . . ? C24 N2 Ca1 99.63(11) . . ? C3 C2 Ca1 78.42(11) . . ? C3 C2 C7 122.00(17) . . ? C3 C2 C1 119.07(18) . . ? C7 C2 Ca1 118.16(12) . . ? C1 C2 Ca1 72.64(10) . . ? C1 C2 C7 118.92(17) . . ? C5 C6 Ca1 78.30(11) . . ? C5 C6 C1 119.33(18) . . ? C5 C6 C10 122.19(17) . . ? C1 C6 Ca1 72.48(10) . . ? C1 C6 C10 118.48(17) . . ? C10 C6 Ca1 119.57(12) . . ? N1 C13 N2 119.41(17) . . ? N1 C13 C14 113.32(16) . . ? N2 C13 C14 127.23(17) . . ? Ca1 C5 H5 121.5 . . ? C6 C5 Ca1 73.37(11) . . ? C6 C5 H5 119.2 . . ? C6 C5 C4 121.63(19) . . ? C4 C5 Ca1 77.11(12) . . ? C4 C5 H5 119.2 . . ? Ca1 C3 H3 121.9 . . ? C2 C3 Ca1 73.06(11) . . ? C2 C3 H3 119.2 . . ? C4 C3 Ca1 77.03(12) . . ? C4 C3 C2 121.57(19) . . ? C4 C3 H3 119.2 . . ? C2 C7 H7 107.4 . . ? C2 C7 C9 113.50(17) . . ? C2 C7 C8 110.64(16) . . ? C9 C7 H7 107.4 . . ? C9 C7 C8 110.28(18) . . ? C8 C7 H7 107.4 . . ? N1 C1 Ca1 114.05(11) . . ? N1 C1 C2 121.12(17) . . ? N1 C1 C6 119.73(17) . . ? C2 C1 Ca1 77.60(10) . . ? C2 C1 C6 119.14(17) . . ? C6 C1 Ca1 77.71(10) . . ? C6 C10 H10 107.5 . . ? C6 C10 C12 114.09(17) . . ? C6 C10 C11 109.52(16) . . ? C12 C10 H10 107.5 . . ? C12 C10 C11 110.45(16) . . ? C11 C10 H10 107.5 . . ? N2 C24 C29 121.12(18) . . ? C25 C24 N2 118.67(17) . . ? C25 C24 C29 119.13(18) . . ? C24 C29 C33 121.34(18) . . ? C28 C29 C24 118.86(19) . . ? C28 C29 C33 119.78(18) . . ? C24 C25 C30 121.43(18) . . ? C26 C25 C24 119.19(19) . . ? C26 C25 C30 119.38(19) . . ? C29 C33 H33 107.6 . . ? C29 C33 C35 110.96(18) . . ? C29 C33 C34 113.04(18) . . ? C35 C33 H33 107.6 . . ? C34 C33 H33 107.6 . . ? C34 C33 C35 109.78(17) . . ? Ca1 C4 H4 120.8 . . ? C5 C4 Ca1 74.93(12) . . ? C5 C4 H4 120.4 . . ? C3 C4 Ca1 75.03(12) . . ? C3 C4 C5 119.17(19) . . ? C3 C4 H4 120.4 . . ? H15A C15 H15B 108.0 . . ? C18 C15 H15A 109.4 . . ? C18 C15 H15B 109.4 . . ? C18 C15 C14 111.24(16) . . ? C14 C15 H15A 109.4 . . ? C14 C15 H15B 109.4 . . ? C29 C28 H28 119.0 . . ? C27 C28 C29 122.01(19) . . ? C27 C28 H28 119.0 . . ? C28 C27 H27 120.6 . . ? C28 C27 C26 118.83(19) . . ? C26 C27 H27 120.6 . . ? C15 C18 H18 109.4 . . ? C22 C18 C15 109.57(17) . . ? C22 C18 H18 109.4 . . ? C22 C18 C21 109.82(19) . . ? C21 C18 C15 109.20(17) . . ? C21 C18 H18 109.4 . . ? C13 C14 C15 107.75(15) . . ? C13 C14 C17 109.39(16) . . ? C17 C14 C15 107.25(16) . . ? C16 C14 C13 115.62(16) . . ? C16 C14 C15 107.82(16) . . ? C16 C14 C17 108.68(17) . . ? C25 C30 H30 106.6 . . ? C32 C30 C25 113.95(18) . . ? C32 C30 H30 106.6 . . ? C31 C30 C25 112.1(2) . . ? C31 C30 H30 106.6 . . ? C31 C30 C32 110.4(2) . . ? C18 C22 H22A 109.9 . . ? C18 C22 H22B 109.9 . . ? C18 C22 C19 108.83(19) . . ? H22A C22 H22B 108.3 . . ? C19 C22 H22A 109.9 . . ? C19 C22 H22B 109.9 . . ? C25 C26 H26 119.1 . . ? C27 C26 C25 121.8(2) . . ? C27 C26 H26 119.1 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12B 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C22 C19 H19 109.3 . . ? C22 C19 C16 110.10(19) . . ? C16 C19 H19 109.3 . . ? C23 C19 C22 109.45(19) . . ? C23 C19 H19 109.3 . . ? C23 C19 C16 109.5(2) . . ? C14 C17 H17A 109.5 . . ? C14 C17 H17B 109.5 . . ? H17A C17 H17B 108.1 . . ? C20 C17 C14 110.72(18) . . ? C20 C17 H17A 109.5 . . ? C20 C17 H17B 109.5 . . ? C33 C35 H35A 109.5 . . ? C33 C35 H35B 109.5 . . ? C33 C35 H35C 109.5 . . ? H35A C35 H35B 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 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 . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11B 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C14 C16 H16A 109.5 . . ? C14 C16 H16B 109.5 . . ? C19 C16 C14 110.59(17) . . ? C19 C16 H16A 109.5 . . ? C19 C16 H16B 109.5 . . ? H16A C16 H16B 108.1 . . ? 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 . . ? C33 C34 H34A 109.5 . . ? C33 C34 H34B 109.5 . . ? C33 C34 H34C 109.5 . . ? H34A C34 H34B 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C17 C20 H20 109.5 . . ? C23 C20 C17 109.96(19) . . ? C23 C20 H20 109.5 . . ? C23 C20 C21 108.8(2) . . ? C21 C20 C17 109.44(19) . . ? C21 C20 H20 109.5 . . ? C19 C23 H23A 109.7 . . ? C19 C23 H23B 109.7 . . ? C20 C23 C19 109.87(19) . . ? C20 C23 H23A 109.7 . . ? C20 C23 H23B 109.7 . . ? H23A C23 H23B 108.2 . . ? C18 C21 C20 109.49(18) . . ? C18 C21 H21A 109.8 . . ? C18 C21 H21B 109.8 . . ? C20 C21 H21A 109.8 . . ? C20 C21 H21B 109.8 . . ? H21A C21 H21B 108.2 . . ? C30 C32 H32A 109.5 . . ? C30 C32 H32B 109.5 . . ? C30 C32 H32C 109.5 . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C30 C31 H31A 109.5 . . ? C30 C31 H31B 109.5 . . ? C30 C31 H31C 109.5 . . ? H31A C31 H31B 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C43 C44 H44 120.0 . . ? C43 C44 C45 120.0 . . ? C45 C44 H44 120.0 . . ? C44 C43 H43 120.0 . . ? C42 C43 C44 120.0 . . ? C42 C43 H43 120.0 . . ? C43 C42 H42 120.0 . . ? C43 C42 C47 120.0 . . ? C47 C42 H42 120.0 . . ? C42 C47 H47 120.0 . . ? C42 C47 C46 120.0 . . ? C46 C47 H47 120.0 . . ? C47 C46 H46 120.0 . . ? C45 C46 C47 120.0 . . ? C45 C46 H46 120.0 . . ? C44 C45 H45 120.0 . . ? C46 C45 C44 120.0 . . ? C46 C45 H45 120.0 . . ? C47A C46A H46A 120.0 . . ? C47A C46A C45A 120.0 . . ? C45A C46A H46A 120.0 . . ? C46A C47A H47A 120.0 . . ? C46A C47A C42A 120.0 . . ? C42A C47A H47A 120.0 . . ? C47A C42A H42A 120.0 . . ? C43A C42A C47A 120.0 . . ? C43A C42A H42A 120.0 . . ? C42A C43A H43A 120.0 . . ? C42A C43A C44A 120.0 . . ? C44A C43A H43A 120.0 . . ? C43A C44A H44A 120.0 . . ? C45A C44A C43A 120.0 . . ? C45A C44A H44A 120.0 . . ? C46A C45A H45A 120.0 . . ? C44A C45A C46A 120.0 . . ? C44A C45A H45A 120.0 . . ? C39 C40 H40 119.7 . . ? C39 C40 C41 120.7(8) . . ? C39 C40 C38A 20.4(5) . . ? C39 C40 C40A 109.8(8) . . ? C41 C40 H40 119.7 . . ? C41 C40 C38A 100.8(6) . . ? C41 C40 C40A 38.5(4) . . ? C38A C40 H40 139.3 . . ? C39A C40 H40 168.0 . . ? C39A C40 C39 55.2(15) . . ? C39A C40 C41 66.6(16) . . ? C39A C40 C38A 34.8(13) . . ? C39A C40 C40A 60.9(12) . . ? C40A C40 H40 116.7 . . ? C40A C40 C38A 91.6(5) . . ? C40 C39 H39 119.7 . . ? C40 C39 C38 120.6(11) . . ? C40 C39 C37A 115.5(8) . . ? C38 C39 H39 119.7 . . ? C38 C39 C37A 32.2(6) . . ? C37A C39 H39 114.8 . . ? C38A C39 C40 117.6(14) . . ? C38A C39 H39 121.2 . . ? C38A C39 C38 12.4(8) . . ? C38A C39 C37A 20.1(9) . . ? C38A C39 C39A 95.5(13) . . ? C39A C39 C40 22.1(5) . . ? C39A C39 H39 141.0 . . ? C39A C39 C38 99.0(10) . . ? C39A C39 C37A 95.0(7) . . ? C39 C38 H38 121.1 . . ? C39 C38 C39A 35.5(6) . . ? C37 C38 C39 117.8(10) . . ? C37 C38 H38 121.1 . . ? C37 C38 C39A 82.4(6) . . ? C37A C38 C39 106.6(9) . . ? C37A C38 H38 82.3 . . ? C37A C38 C37 81.5(8) . . ? C37A C38 C39A 100.6(6) . . ? C38A C38 C39 11.9(7) . . ? C38A C38 H38 122.7 . . ? C38A C38 C37 114.9(12) . . ? C38A C38 C37A 94.8(11) . . ? C38A C38 C39A 34.0(7) . . ? C39A C38 H38 156.4 . . ? C40 C41 H41 120.0 . . ? C36 C41 C40 120.0(7) . . ? C36 C41 H41 120.0 . . ? C39A C41 C40 22.4(5) . . ? C39A C41 H41 141.9 . . ? C39A C41 C36 97.9(6) . . ? C40A C41 C40 82.1(7) . . ? C40A C41 H41 99.9 . . ? C40A C41 C36 88.0(7) . . ? C40A C41 C39A 75.9(6) . . ? C38 C37 H37 119.7 . . ? C38 C37 C37A 42.7(6) . . ? C38 C37 C38A 21.4(3) . . ? C38 C37 C36A 84.9(6) . . ? C36 C37 C38 120.7(6) . . ? C36 C37 H37 119.7 . . ? C36 C37 C37A 121.6(5) . . ? C36 C37 C38A 99.7(5) . . ? C36 C37 C36A 91.1(5) . . ? C37A C37 H37 102.3 . . ? C37A C37 C38A 47.3(3) . . ? C37A C37 C36A 44.5(2) . . ? C38A C37 H37 140.3 . . ? C38A C37 C36A 79.7(3) . . ? C36A C37 H37 94.1 . . ? C41 C36 C37 120.3(6) . . ? C41 C36 H36 119.9 . . ? C41 C36 C39A 39.1(4) . . ? C41 C36 C40A 36.8(3) . . ? C41 C36 C41A 81.9(4) . . ? C37 C36 H36 119.9 . . ? C37 C36 C39A 81.3(4) . . ? C37 C36 C40A 108.7(5) . . ? C37 C36 C41A 89.1(5) . . ? C39A C36 H36 158.6 . . ? C40A C36 H36 118.9 . . ? C40A C36 C39A 44.3(2) . . ? C40A C36 C41A 45.2(2) . . ? C41A C36 H36 99.1 . . ? C41A C36 C39A 76.8(3) . . ? C39 C37A H37A 123.0 . . ? C38 C37A C39 41.3(5) . . ? C38 C37A C37 55.8(6) . . ? C38 C37A H37A 102.2 . . ? C38 C37A C38A 31.4(5) . . ? C38 C37A C36A 129.9(6) . . ? C37 C37A C39 79.7(4) . . ? C37 C37A H37A 118.8 . . ? C38A C37A C39 10.0(5) . . ? C38A C37A C37 72.4(4) . . ? C38A C37A H37A 120.0 . . ? C38A C37A C36A 120.0 . . ? C36A C37A C39 116.1(4) . . ? C36A C37A C37 79.6(4) . . ? C36A C37A H37A 120.0 . . ? C40 C38A C37 98.7(6) . . ? C40 C38A H38A 109.8 . . ? C39 C38A C40 42.0(11) . . ? C39 C38A C38 155.7(14) . . ? C39 C38A C37 138.0(13) . . ? C39 C38A C37A 150.0(13) . . ? C39 C38A H38A 73.6 . . ? C39 C38A C39A 54.3(11) . . ? C38 C38A C40 139.3(13) . . ? C38 C38A C37 43.7(10) . . ? C38 C38A C37A 53.8(10) . . ? C38 C38A H38A 87.8 . . ? C38 C38A C39A 128.9(10) . . ? C37 C38A H38A 123.3 . . ? C37A C38A C40 129.7(4) . . ? C37A C38A C37 60.3(3) . . ? C37A C38A H38A 120.0 . . ? C37A C38A C39A 120.0 . . ? C39A C38A C40 12.3(5) . . ? C39A C38A C37 86.9(3) . . ? C39A C38A H38A 120.0 . . ? C40 C39A C39 102.7(18) . . ? C40 C39A C38 146.7(16) . . ? C40 C39A C41 91.0(17) . . ? C40 C39A C36 133.2(19) . . ? C40 C39A C38A 132.9(17) . . ? C40 C39A H39A 31.2 . . ? C40 C39A C40A 100.1(14) . . ? C39 C39A C38 45.5(6) . . ? C39 C39A C41 161.9(10) . . ? C39 C39A C36 120.9(6) . . ? C39 C39A C38A 30.1(5) . . ? C39 C39A H39A 94.5 . . ? C39 C39A C40A 141.9(7) . . ? C38 C39A C36 75.5(4) . . ? C38 C39A H39A 125.6 . . ? C41 C39A C38 118.3(7) . . ? C41 C39A C36 43.0(5) . . ? C41 C39A C38A 134.9(5) . . ? C41 C39A H39A 91.2 . . ? C41 C39A C40A 43.4(4) . . ? C36 C39A H39A 122.0 . . ? C38A C39A C38 17.0(4) . . ? C38A C39A C36 92.0(3) . . ? C38A C39A H39A 120.0 . . ? C40A C39A C38 112.0(4) . . ? C40A C39A C36 55.6(3) . . ? C40A C39A C38A 120.0 . . ? C40A C39A H39A 120.0 . . ? C40 C40A C36 94.0(6) . . ? C40 C40A H40A 102.6 . . ? C41 C40A C40 59.4(6) . . ? C41 C40A C36 55.2(6) . . ? C41 C40A C39A 60.7(6) . . ? C41 C40A H40A 79.0 . . ? C41 C40A C41A 132.8(6) . . ? C36 C40A H40A 112.5 . . ? C39A C40A C40 19.0(4) . . ? C39A C40A C36 80.1(4) . . ? C39A C40A H40A 120.0 . . ? C39A C40A C41A 120.0 . . ? C41A C40A C40 136.6(5) . . ? C41A C40A C36 77.9(4) . . ? C41A C40A H40A 120.0 . . ? C36 C41A H41A 120.7 . . ? C40A C41A C36 57.0(3) . . ? C40A C41A H41A 120.0 . . ? C36A C41A C36 92.0(3) . . ? C36A C41A C40A 120.0 . . ? C36A C41A H41A 120.0 . . ? C37 C36A H36A 127.6 . . ? C37A C36A C37 55.9(3) . . ? C37A C36A H36A 120.0 . . ? C41A C36A C37 87.2(3) . . ? C41A C36A C37A 120.0 . . ? C41A C36A H36A 120.0 . . ? 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 Ca1 N2 C13 N1 -2.7(2) . . . . ? Ca1 N2 C13 C14 -179.98(13) . . . . ? Ca1 N2 C24 C29 -94.75(17) . . . . ? Ca1 N2 C24 C25 73.25(17) . . . . ? Ca1 C2 C3 C4 -62.45(18) . . . . ? Ca1 C2 C7 C9 -81.88(19) . . . . ? Ca1 C2 C7 C8 153.53(13) . . . . ? Ca1 C2 C1 N1 -110.77(16) . . . . ? Ca1 C2 C1 C6 68.15(15) . . . . ? Ca1 C6 C5 C4 62.78(18) . . . . ? Ca1 C6 C1 N1 110.85(16) . . . . ? Ca1 C6 C1 C2 -68.09(15) . . . . ? Ca1 C6 C10 C12 76.07(19) . . . . ? Ca1 C6 C10 C11 -159.55(13) . . . . ? Ca1 C5 C4 C3 62.83(17) . . . . ? Ca1 C3 C4 C5 -62.78(17) . . . . ? N1 C13 C14 C15 -55.2(2) . . . . ? N1 C13 C14 C17 61.1(2) . . . . ? N1 C13 C14 C16 -175.83(16) . . . . ? N2 C13 C14 C15 122.29(19) . . . . ? N2 C13 C14 C17 -121.4(2) . . . . ? N2 C13 C14 C16 1.6(3) . . . . ? N2 C24 C29 C33 -7.9(3) . . . . ? N2 C24 C29 C28 170.70(17) . . . . ? N2 C24 C25 C30 8.5(3) . . . . ? N2 C24 C25 C26 -172.38(18) . . . . ? C2 C3 C4 Ca1 60.50(17) . . . . ? C2 C3 C4 C5 -2.3(3) . . . . ? C6 C5 C4 Ca1 -60.94(17) . . . . ? C6 C5 C4 C3 1.9(3) . . . . ? C13 N1 C1 Ca1 3.72(19) . . . . ? C13 N1 C1 C2 93.4(2) . . . . ? C13 N1 C1 C6 -85.5(2) . . . . ? C13 N2 C24 C29 78.7(3) . . . . ? C13 N2 C24 C25 -113.3(2) . . . . ? C13 C14 C17 C20 -175.40(17) . . . . ? C13 C14 C16 C19 178.39(17) . . . . ? C5 C6 C1 Ca1 65.08(16) . . . . ? C5 C6 C1 N1 175.92(16) . . . . ? C5 C6 C1 C2 -3.0(3) . . . . ? C5 C6 C10 C12 -18.6(3) . . . . ? C5 C6 C10 C11 105.8(2) . . . . ? C3 C2 C7 C9 11.9(3) . . . . ? C3 C2 C7 C8 -112.7(2) . . . . ? C3 C2 C1 Ca1 -65.52(16) . . . . ? C3 C2 C1 N1 -176.29(16) . . . . ? C3 C2 C1 C6 2.6(3) . . . . ? C7 C2 C3 Ca1 -116.10(17) . . . . ? C7 C2 C3 C4 -178.56(18) . . . . ? C7 C2 C1 Ca1 113.09(16) . . . . ? C7 C2 C1 N1 2.3(3) . . . . ? C7 C2 C1 C6 -178.76(16) . . . . ? C1 N1 C13 N2 -1.3(2) . . . . ? C1 N1 C13 C14 176.34(15) . . . . ? C1 C2 C3 Ca1 62.46(15) . . . . ? C1 C2 C3 C4 0.0(3) . . . . ? C1 C2 C7 C9 -166.66(18) . . . . ? C1 C2 C7 C8 68.8(2) . . . . ? C1 C6 C5 Ca1 -62.03(15) . . . . ? C1 C6 C5 C4 0.8(3) . . . . ? C1 C6 C10 C12 161.14(17) . . . . ? C1 C6 C10 C11 -74.5(2) . . . . ? C10 C6 C5 Ca1 117.71(17) . . . . ? C10 C6 C5 C4 -179.50(18) . . . . ? C10 C6 C1 Ca1 -114.67(15) . . . . ? C10 C6 C1 N1 -3.8(3) . . . . ? C10 C6 C1 C2 177.24(16) . . . . ? C24 N2 C13 N1 -174.25(18) . . . . ? C24 N2 C13 C14 8.4(3) . . . . ? C24 C29 C33 C35 105.3(2) . . . . ? C24 C29 C33 C34 -130.88(19) . . . . ? C24 C29 C28 C27 0.5(3) . . . . ? C24 C25 C30 C32 -146.0(2) . . . . ? C24 C25 C30 C31 87.6(3) . . . . ? C24 C25 C26 C27 2.4(3) . . . . ? C29 C24 C25 C30 176.76(19) . . . . ? C29 C24 C25 C26 -4.1(3) . . . . ? C29 C28 C27 C26 -2.3(3) . . . . ? C25 C24 C29 C33 -175.86(18) . . . . ? C25 C24 C29 C28 2.8(3) . . . . ? C33 C29 C28 C27 179.11(19) . . . . ? C15 C18 C22 C19 -60.0(2) . . . . ? C15 C18 C21 C20 59.9(2) . . . . ? C15 C14 C17 C20 -58.8(2) . . . . ? C15 C14 C16 C19 57.8(2) . . . . ? C28 C29 C33 C35 -73.3(2) . . . . ? C28 C29 C33 C34 50.5(3) . . . . ? C28 C27 C26 C25 0.8(3) . . . . ? C18 C15 C14 C13 176.55(16) . . . . ? C18 C15 C14 C17 58.9(2) . . . . ? C18 C15 C14 C16 -58.0(2) . . . . ? C18 C22 C19 C16 60.5(3) . . . . ? C18 C22 C19 C23 -60.0(2) . . . . ? C14 C15 C18 C22 60.0(2) . . . . ? C14 C15 C18 C21 -60.3(2) . . . . ? C14 C17 C20 C23 -58.7(2) . . . . ? C14 C17 C20 C21 60.7(3) . . . . ? C30 C25 C26 C27 -178.5(2) . . . . ? C22 C18 C21 C20 -60.3(2) . . . . ? C22 C19 C16 C14 -60.5(3) . . . . ? C22 C19 C23 C20 60.9(2) . . . . ? C26 C25 C30 C32 34.8(3) . . . . ? C26 C25 C30 C31 -91.5(3) . . . . ? C17 C14 C16 C19 -58.2(2) . . . . ? C17 C20 C23 C19 59.4(2) . . . . ? C17 C20 C21 C18 -60.2(3) . . . . ? C16 C14 C17 C20 57.5(2) . . . . ? C16 C19 C23 C20 -59.9(2) . . . . ? C23 C19 C16 C14 59.9(2) . . . . ? C23 C20 C21 C18 59.9(2) . . . . ? C21 C18 C22 C19 60.0(2) . . . . ? C21 C20 C23 C19 -60.4(2) . . . . ? C44 C43 C42 C47 0.0 . . . . ? C43 C44 C45 C46 0.0 . . . . ? C43 C42 C47 C46 0.0 . . . . ? C42 C47 C46 C45 0.0 . . . . ? C47 C46 C45 C44 0.0 . . . . ? C45 C44 C43 C42 0.0 . . . . ? C46A C47A C42A C43A 0.0 . . . . ? C47A C46A C45A C44A 0.0 . . . . ? C47A C42A C43A C44A 0.0 . . . . ? C42A C43A C44A C45A 0.0 . . . . ? C43A C44A C45A C46A 0.0 . . . . ? C45A C46A C47A C42A 0.0 . . . . ? C40 C39 C38 C37 -1.0(19) . . . . ? C40 C39 C38 C37A -90.1(13) . . . . ? C40 C39 C38 C38A -80(4) . . . . ? C40 C39 C38 C39A -5.1(7) . . . . ? C40 C39 C38A C38 107(3) . . . . ? C40 C39 C38A C37 27(2) . . . . ? C40 C39 C38A C37A -89(2) . . . . ? C40 C39 C38A C39A 0.1(7) . . . . ? C40 C39 C39A C38 168.3(18) . . . . ? C40 C39 C39A C41 138(3) . . . . ? C40 C39 C39A C36 162(2) . . . . ? C40 C39 C39A C38A -179.7(15) . . . . ? C40 C39 C39A C40A -125(3) . . . . ? C40 C41 C36 C37 -0.9(11) . . . . ? C40 C41 C36 C39A 4.2(7) . . . . ? C40 C41 C36 C40A 79.7(8) . . . . ? C40 C41 C36 C41A 83.2(7) . . . . ? C40 C41 C39A C39 -139(3) . . . . ? C40 C41 C39A C38 -163.4(18) . . . . ? C40 C41 C39A C36 -170.3(16) . . . . ? C40 C41 C39A C38A -167.8(18) . . . . ? C40 C41 C39A C40A 103.7(15) . . . . ? C40 C41 C40A C36 -120.6(6) . . . . ? C40 C41 C40A C39A -22.0(5) . . . . ? C40 C41 C40A C41A -127.1(7) . . . . ? C40 C38A C39A C39 0(2) . . . . ? C40 C38A C39A C38 150(3) . . . . ? C40 C38A C39A C41 163(3) . . . . ? C40 C38A C39A C36 165(2) . . . . ? C40 C38A C39A C40A -144(2) . . . . ? C40 C39A C40A C41 80.6(18) . . . . ? C40 C39A C40A C36 136(2) . . . . ? C40 C39A C40A C41A -154(2) . . . . ? C40 C40A C41A C36 -82.8(9) . . . . ? C40 C40A C41A C36A -11.9(9) . . . . ? C39 C40 C41 C36 0.4(13) . . . . ? C39 C40 C41 C39A 11.4(12) . . . . ? C39 C40 C41 C40A 83.5(9) . . . . ? C39 C40 C38A C38 -143(2) . . . . ? C39 C40 C38A C37 -162.2(17) . . . . ? C39 C40 C38A C37A 139.4(19) . . . . ? C39 C40 C38A C39A -179(2) . . . . ? C39 C40 C39A C38 -15(2) . . . . ? C39 C40 C39A C41 -168.0(13) . . . . ? C39 C40 C39A C36 -159(2) . . . . ? C39 C40 C39A C38A 0.2(11) . . . . ? C39 C40 C39A C40A 149.3(14) . . . . ? C39 C40 C40A C41 -114.8(9) . . . . ? C39 C40 C40A C36 -69.7(8) . . . . ? C39 C40 C40A C39A -26.5(15) . . . . ? C39 C40 C40A C41A 6.8(14) . . . . ? C39 C38 C37 C36 0.5(16) . . . . ? C39 C38 C37 C37A -104.3(12) . . . . ? C39 C38 C37 C38A -12.9(8) . . . . ? C39 C38 C37 C36A -87.7(12) . . . . ? C39 C38 C37A C37 116.6(12) . . . . ? C39 C38 C37A C38A 2.1(6) . . . . ? C39 C38 C37A C36A 85.2(12) . . . . ? C39 C38 C38A C40 79(4) . . . . ? C39 C38 C38A C37 107(3) . . . . ? C39 C38 C38A C37A -170(3) . . . . ? C39 C38 C38A C39A 88(4) . . . . ? C39 C37A C38A C40 -60(2) . . . . ? C39 C37A C38A C38 172(2) . . . . ? C39 C37A C38A C37 -136(2) . . . . ? C39 C37A C38A C39A -70(2) . . . . ? C39 C37A C36A C37 73.0(5) . . . . ? C39 C37A C36A C41A 10.4(5) . . . . ? C39 C38A C39A C40 0(2) . . . . ? C39 C38A C39A C38 149.5(19) . . . . ? C39 C38A C39A C41 162.9(18) . . . . ? C39 C38A C39A C36 164.6(16) . . . . ? C39 C38A C39A C40A -144.7(16) . . . . ? C39 C39A C40A C40 126(3) . . . . ? C39 C39A C40A C41 -153.2(15) . . . . ? C39 C39A C40A C36 -97.7(12) . . . . ? C39 C39A C40A C41A -28.1(11) . . . . ? C38 C39 C38A C40 -107(3) . . . . ? C38 C39 C38A C37 -80(4) . . . . ? C38 C39 C38A C37A 164(5) . . . . ? C38 C39 C38A C39A -107(3) . . . . ? C38 C39 C39A C40 -168.3(18) . . . . ? C38 C39 C39A C41 -30(3) . . . . ? C38 C39 C39A C36 -6.0(14) . . . . ? C38 C39 C39A C38A 12.0(8) . . . . ? C38 C39 C39A C40A 66.3(16) . . . . ? C38 C37 C36 C41 0.5(12) . . . . ? C38 C37 C36 C39A -2.8(8) . . . . ? C38 C37 C36 C40A -38.1(10) . . . . ? C38 C37 C36 C41A -79.5(8) . . . . ? C38 C37 C37A C39 36.8(6) . . . . ? C38 C37 C37A C38A 29.8(5) . . . . ? C38 C37 C37A C36A 156.1(5) . . . . ? C38 C37 C38A C40 161.7(16) . . . . ? C38 C37 C38A C39 144(2) . . . . ? C38 C37 C38A C37A -67.3(14) . . . . ? C38 C37 C38A C39A 165.4(14) . . . . ? C38 C37A C38A C40 127.8(17) . . . . ? C38 C37A C38A C39 -172(2) . . . . ? C38 C37A C38A C37 52.1(12) . . . . ? C38 C37A C38A C39A 118.5(13) . . . . ? C38 C37A C36A C37 26.0(6) . . . . ? C38 C37A C36A C41A -36.6(6) . . . . ? C38 C38A C39A C40 -150(3) . . . . ? C38 C38A C39A C39 -149.5(19) . . . . ? C38 C38A C39A C41 13.3(14) . . . . ? C38 C38A C39A C36 15.0(13) . . . . ? C38 C38A C39A C40A 65.8(13) . . . . ? C38 C39A C40A C40 171(2) . . . . ? C38 C39A C40A C41 -108.4(8) . . . . ? C38 C39A C40A C36 -53.0(5) . . . . ? C38 C39A C40A C41A 16.7(4) . . . . ? C41 C40 C39 C38 0.6(17) . . . . ? C41 C40 C39 C37A -35.5(12) . . . . ? C41 C40 C39 C38A -13.1(19) . . . . ? C41 C40 C39 C39A -12.8(15) . . . . ? C41 C40 C38A C39 168.5(17) . . . . ? C41 C40 C38A C38 25.7(19) . . . . ? C41 C40 C38A C37 6.3(7) . . . . ? C41 C40 C38A C37A -52.1(11) . . . . ? C41 C40 C38A C39A -11.0(18) . . . . ? C41 C40 C39A C39 168.0(13) . . . . ? C41 C40 C39A C38 153(3) . . . . ? C41 C40 C39A C36 9.0(14) . . . . ? C41 C40 C39A C38A 168.2(19) . . . . ? C41 C40 C39A C40A -42.7(4) . . . . ? C41 C40 C40A C36 45.1(6) . . . . ? C41 C40 C40A C39A 88.3(18) . . . . ? C41 C40 C40A C41A 121.6(10) . . . . ? C41 C36 C40A C40 -48.0(6) . . . . ? C41 C36 C40A C39A -61.1(6) . . . . ? C41 C36 C40A C41A 175.1(6) . . . . ? C41 C39A C40A C40 -80.6(18) . . . . ? C41 C39A C40A C36 55.5(7) . . . . ? C41 C39A C40A C41A 125.2(7) . . . . ? C41 C40A C41A C36 5.5(7) . . . . ? C41 C40A C41A C36A 76.4(7) . . . . ? C37 C38 C37A C39 -116.6(12) . . . . ? C37 C38 C37A C38A -114.5(12) . . . . ? C37 C38 C37A C36A -31.4(7) . . . . ? C37 C38 C38A C40 -28(2) . . . . ? C37 C38 C38A C39 -107(3) . . . . ? C37 C38 C38A C37A 82.9(12) . . . . ? C37 C38 C38A C39A -18.9(18) . . . . ? C37 C36 C40A C40 68.0(7) . . . . ? C37 C36 C40A C41 115.9(7) . . . . ? C37 C36 C40A C39A 54.9(5) . . . . ? C37 C36 C40A C41A -69.0(5) . . . . ? C37 C37A C38A C40 75.7(8) . . . . ? C37 C37A C38A C39 136(2) . . . . ? C37 C37A C38A C38 -52.1(12) . . . . ? C37 C37A C38A C39A 66.4(3) . . . . ? C37 C37A C36A C41A -62.6(3) . . . . ? C37 C38A C39A C40 -163(2) . . . . ? C37 C38A C39A C39 -162.5(16) . . . . ? C37 C38A C39A C38 -13.0(13) . . . . ? C37 C38A C39A C41 0.3(6) . . . . ? C37 C38A C39A C36 2.1(3) . . . . ? C37 C38A C39A C40A 52.8(3) . . . . ? C36 C41 C39A C40 170.3(16) . . . . ? C36 C41 C39A C39 31(3) . . . . ? C36 C41 C39A C38 6.9(7) . . . . ? C36 C41 C39A C38A 2.5(8) . . . . ? C36 C41 C39A C40A -86.0(6) . . . . ? C36 C41 C40A C40 120.6(6) . . . . ? C36 C41 C40A C39A 98.6(5) . . . . ? C36 C41 C40A C41A -6.5(8) . . . . ? C36 C37 C37A C39 -65.7(7) . . . . ? C36 C37 C37A C38 -102.5(8) . . . . ? C36 C37 C37A C38A -72.7(7) . . . . ? C36 C37 C37A C36A 53.6(7) . . . . ? C36 C37 C38A C40 -6.6(7) . . . . ? C36 C37 C38A C39 -24(2) . . . . ? C36 C37 C38A C38 -168.3(15) . . . . ? C36 C37 C38A C37A 124.4(6) . . . . ? C36 C37 C38A C39A -3.0(5) . . . . ? C36 C39A C40A C40 -136(2) . . . . ? C36 C39A C40A C41 -55.5(7) . . . . ? C36 C39A C40A C41A 69.7(3) . . . . ? C36 C40A C41A C36A 70.9(3) . . . . ? C36 C41A C36A C37 5.1(3) . . . . ? C36 C41A C36A C37A 52.4(3) . . . . ? C37A C39 C38 C37 89.1(14) . . . . ? C37A C39 C38 C38A 10(3) . . . . ? C37A C39 C38 C39A 85.0(12) . . . . ? C37A C39 C38A C40 89(2) . . . . ? C37A C39 C38A C38 -164(5) . . . . ? C37A C39 C38A C37 116(3) . . . . ? C37A C39 C38A C39A 89(2) . . . . ? C37A C39 C39A C40 159.5(17) . . . . ? C37A C39 C39A C38 -32.1(7) . . . . ? C37A C39 C39A C41 -62(3) . . . . ? C37A C39 C39A C36 -38.2(10) . . . . ? C37A C39 C39A C38A -20.2(9) . . . . ? C37A C39 C39A C40A 34.1(13) . . . . ? C37A C38 C37 C36 104.8(8) . . . . ? C37A C38 C37 C38A 91.4(14) . . . . ? C37A C38 C37 C36A 16.6(3) . . . . ? C37A C38 C38A C40 -111.3(13) . . . . ? C37A C38 C38A C39 170(3) . . . . ? C37A C38 C38A C37 -82.9(12) . . . . ? C37A C38 C38A C39A -101.8(10) . . . . ? C37A C37 C36 C41 50.8(10) . . . . ? C37A C37 C36 C39A 47.5(6) . . . . ? C37A C37 C36 C40A 12.2(9) . . . . ? C37A C37 C36 C41A -29.2(7) . . . . ? C37A C37 C38A C40 -131.0(5) . . . . ? C37A C37 C38A C39 -148.8(19) . . . . ? C37A C37 C38A C38 67.3(14) . . . . ? C37A C37 C38A C39A -127.40(17) . . . . ? C37A C38A C39A C40 144(2) . . . . ? C37A C38A C39A C39 144.7(16) . . . . ? C37A C38A C39A C38 -65.8(13) . . . . ? C37A C38A C39A C41 -52.5(5) . . . . ? C37A C38A C39A C36 -50.7(3) . . . . ? C37A C38A C39A C40A 0.0 . . . . ? C38A C40 C39 C38 13.8(9) . . . . ? C38A C40 C39 C37A -22.4(11) . . . . ? C38A C40 C39 C39A 0.3(17) . . . . ? C38A C40 C41 C36 -4.3(10) . . . . ? C38A C40 C41 C39A 6.8(10) . . . . ? C38A C40 C41 C40A 78.8(6) . . . . ? C38A C40 C39A C39 -0.2(11) . . . . ? C38A C40 C39A C38 -15.5(17) . . . . ? C38A C40 C39A C41 -168.2(19) . . . . ? C38A C40 C39A C36 -159(3) . . . . ? C38A C40 C39A C40A 149(2) . . . . ? C38A C40 C40A C41 -105.4(7) . . . . ? C38A C40 C40A C36 -60.3(7) . . . . ? C38A C40 C40A C39A -17.1(14) . . . . ? C38A C40 C40A C41A 16.2(13) . . . . ? C38A C39 C38 C37 79(4) . . . . ? C38A C39 C38 C37A -10(3) . . . . ? C38A C39 C38 C39A 75(3) . . . . ? C38A C39 C39A C40 179.7(15) . . . . ? C38A C39 C39A C38 -12.0(8) . . . . ? C38A C39 C39A C41 -42(3) . . . . ? C38A C39 C39A C36 -18.0(18) . . . . ? C38A C39 C39A C40A 54(2) . . . . ? C38A C38 C37 C36 13.4(18) . . . . ? C38A C38 C37 C37A -91.4(14) . . . . ? C38A C38 C37 C36A -74.8(13) . . . . ? C38A C38 C37A C39 -2.1(6) . . . . ? C38A C38 C37A C37 114.5(12) . . . . ? C38A C38 C37A C36A 83.1(13) . . . . ? C38A C37 C36 C41 5.4(8) . . . . ? C38A C37 C36 C39A 2.1(4) . . . . ? C38A C37 C36 C40A -33.2(6) . . . . ? C38A C37 C36 C41A -74.6(4) . . . . ? C38A C37 C37A C39 7.0(4) . . . . ? C38A C37 C37A C38 -29.8(5) . . . . ? C38A C37 C37A C36A 126.24(13) . . . . ? C38A C37A C36A C37 62.6(3) . . . . ? C38A C37A C36A C41A 0.0 . . . . ? C38A C39A C40A C40 154(2) . . . . ? C38A C39A C40A C41 -125.2(7) . . . . ? C38A C39A C40A C36 -69.7(3) . . . . ? C38A C39A C40A C41A 0.0 . . . . ? C39A C40 C39 C38 13(2) . . . . ? C39A C40 C39 C37A -22.7(19) . . . . ? C39A C40 C39 C38A -0.3(17) . . . . ? C39A C40 C41 C36 -11.1(18) . . . . ? C39A C40 C41 C40A 72.0(14) . . . . ? C39A C40 C38A C39 179(2) . . . . ? C39A C40 C38A C38 37(3) . . . . ? C39A C40 C38A C37 17(2) . . . . ? C39A C40 C38A C37A -41(3) . . . . ? C39A C40 C40A C41 -88.3(18) . . . . ? C39A C40 C40A C36 -43(2) . . . . ? C39A C40 C40A C41A 33(3) . . . . ? C39A C39 C38 C37 4.0(17) . . . . ? C39A C39 C38 C37A -85.0(12) . . . . ? C39A C39 C38 C38A -75(3) . . . . ? C39A C39 C38A C40 -0.1(7) . . . . ? C39A C39 C38A C38 107(3) . . . . ? C39A C39 C38A C37 27(2) . . . . ? C39A C39 C38A C37A -89(2) . . . . ? C39A C38 C37 C36 2.8(8) . . . . ? C39A C38 C37 C37A -102.0(5) . . . . ? C39A C38 C37 C38A -10.6(10) . . . . ? C39A C38 C37 C36A -85.4(4) . . . . ? C39A C38 C37A C39 -36.0(7) . . . . ? C39A C38 C37A C37 80.6(6) . . . . ? C39A C38 C37A C38A -33.9(6) . . . . ? C39A C38 C37A C36A 49.2(9) . . . . ? C39A C38 C38A C40 -9.4(7) . . . . ? C39A C38 C38A C39 -88(4) . . . . ? C39A C38 C38A C37 18.9(18) . . . . ? C39A C38 C38A C37A 101.8(10) . . . . ? C39A C41 C36 C37 -5.2(9) . . . . ? C39A C41 C36 C40A 75.5(6) . . . . ? C39A C41 C36 C41A 79.0(4) . . . . ? C39A C41 C40A C40 22.0(5) . . . . ? C39A C41 C40A C36 -98.6(5) . . . . ? C39A C41 C40A C41A -105.2(6) . . . . ? C39A C36 C40A C40 13.1(6) . . . . ? C39A C36 C40A C41 61.1(6) . . . . ? C39A C36 C40A C41A -123.83(11) . . . . ? C39A C40A C41A C36 -70.9(3) . . . . ? C39A C40A C41A C36A 0.0 . . . . ? C40A C40 C39 C38 41.7(15) . . . . ? C40A C40 C39 C37A 5.6(11) . . . . ? C40A C40 C39 C38A 27.9(17) . . . . ? C40A C40 C39 C39A 28.3(14) . . . . ? C40A C40 C41 C36 -83.1(8) . . . . ? C40A C40 C41 C39A -72.0(14) . . . . ? C40A C40 C38A C39 -153.8(16) . . . . ? C40A C40 C38A C38 63.3(19) . . . . ? C40A C40 C38A C37 43.9(7) . . . . ? C40A C40 C38A C37A -14.4(12) . . . . ? C40A C40 C38A C39A 26.7(18) . . . . ? C40A C40 C39A C39 -149.3(14) . . . . ? C40A C40 C39A C38 -165(4) . . . . ? C40A C40 C39A C41 42.7(4) . . . . ? C40A C40 C39A C36 51.7(13) . . . . ? C40A C40 C39A C38A -149(2) . . . . ? C40A C41 C36 C37 -80.7(8) . . . . ? C40A C41 C36 C39A -75.5(6) . . . . ? C40A C41 C36 C41A 3.5(4) . . . . ? C40A C41 C39A C40 -103.7(15) . . . . ? C40A C41 C39A C39 117(2) . . . . ? C40A C41 C39A C38 92.9(7) . . . . ? C40A C41 C39A C36 86.0(6) . . . . ? C40A C41 C39A C38A 88.5(7) . . . . ? C40A C41A C36A C37 -47.4(3) . . . . ? C40A C41A C36A C37A 0.0 . . . . ? C41A C36 C40A C40 136.9(5) . . . . ? C41A C36 C40A C41 -175.1(6) . . . . ? C41A C36 C40A C39A 123.83(11) . . . . ? C36A C37 C36 C41 85.2(7) . . . . ? C36A C37 C36 C39A 81.9(3) . . . . ? C36A C37 C36 C40A 46.6(5) . . . . ? C36A C37 C36 C41A 5.1(3) . . . . ? C36A C37 C37A C39 -119.2(4) . . . . ? C36A C37 C37A C38 -156.1(5) . . . . ? C36A C37 C37A C38A -126.24(13) . . . . ? C36A C37 C38A C40 -96.0(5) . . . . ? C36A C37 C38A C39 -113.7(19) . . . . ? C36A C37 C38A C38 102.3(14) . . . . ? C36A C37 C38A C37A 35.07(14) . . . . ? C36A C37 C38A C39A -92.3(2) . . . . ? C36A C37A C38A C40 9.3(8) . . . . ? C36A C37A C38A C39 70(2) . . . . ? C36A C37A C38A C38 -118.5(13) . . . . ? C36A C37A C38A C37 -66.4(3) . . . . ? C36A C37A C38A C39A 0.0 . . . . ? _shelx_res_file ; hasj151204b.res created by SHELXL-2014/7 TITL hasj151204b_a.res in P-1 REM Old TITL hasj151204b in P-1 #2 REM SHELXT solution in P-1 REM R1 0.196, Rweak 0.025, Alpha 0.086, Orientation as input REM Formula found by SHELXT: C41 N6 Ca CELL 1.54184 10.454965 10.522483 19.850789 83.3598 87.9438 69.2211 ZERR 1 0.000206 0.000209 0.000335 0.0015 0.0015 0.0018 LATT 1 SFAC C H Ca N UNIT 94 124 2 4 RIGU C44 C43 C42 C47 C46 C45 L.S. 10 PLAN 20 FREE Ca1 C24 BOND $H LIST 4 MORE -1 CONF fmap 2 acta REM REM REM WGHT 0.088400 1.602600 FVAR 6.87418 0.42889 0.49785 CA1 3 0.507955 0.620085 0.437710 11.00000 0.02777 0.01796 = 0.02316 0.00380 0.00065 -0.00946 N1 4 0.568909 0.859543 0.312405 11.00000 0.01739 0.01556 = 0.02422 0.00293 -0.00248 -0.00607 N2 4 0.553398 0.645049 0.321847 11.00000 0.02240 0.01541 = 0.02383 0.00197 -0.00074 -0.00692 C2 1 0.637310 0.813144 0.432018 11.00000 0.02135 0.01442 = 0.02693 0.00113 -0.00273 -0.00745 C6 1 0.393914 0.902909 0.399759 11.00000 0.01992 0.01284 = 0.03055 -0.00022 0.00015 -0.00710 C13 1 0.576270 0.750102 0.283906 11.00000 0.01350 0.01619 = 0.02522 0.00354 -0.00332 -0.00415 C5 1 0.360490 0.893851 0.468099 11.00000 0.02333 0.01877 = 0.03354 -0.00270 0.00302 -0.00744 AFIX 43 H5 2 0.268853 0.921468 0.480488 11.00000 -1.20000 AFIX 0 C3 1 0.597859 0.806926 0.500028 11.00000 0.02981 0.01944 = 0.02699 0.00087 -0.00532 -0.00938 AFIX 43 H3 2 0.664790 0.777008 0.533729 11.00000 -1.20000 AFIX 0 C7 1 0.786882 0.769270 0.411249 11.00000 0.01973 0.02224 = 0.02766 0.00085 -0.00389 -0.00562 AFIX 13 H7 2 0.800111 0.707062 0.376380 11.00000 -1.20000 AFIX 0 C1 1 0.534527 0.859033 0.380523 11.00000 0.01952 0.01191 = 0.02648 0.00207 -0.00240 -0.00607 C10 1 0.285390 0.957730 0.344213 11.00000 0.01820 0.01902 = 0.03243 0.00057 -0.00283 -0.00540 AFIX 13 H10 2 0.315236 0.898552 0.307712 11.00000 -1.20000 AFIX 0 C24 1 0.565439 0.513629 0.305723 11.00000 0.02617 0.01751 = 0.01873 0.00273 -0.00129 -0.00765 C29 1 0.695229 0.407060 0.304705 11.00000 0.02716 0.02011 = 0.02061 0.00212 -0.00308 -0.00547 C25 1 0.445682 0.481436 0.303331 11.00000 0.02767 0.01997 = 0.02690 0.00080 0.00088 -0.00832 C33 1 0.827213 0.434244 0.311916 11.00000 0.02405 0.02166 = 0.03186 -0.00044 -0.00581 -0.00345 AFIX 13 H33 2 0.804406 0.533596 0.306785 11.00000 -1.20000 AFIX 0 C4 1 0.460820 0.844444 0.518483 11.00000 0.03370 0.02318 = 0.02511 -0.00123 0.00396 -0.01038 AFIX 43 H4 2 0.436567 0.836613 0.563893 11.00000 -1.20000 AFIX 0 C15 1 0.494850 0.893486 0.173547 11.00000 0.02467 0.02073 = 0.02605 0.00492 -0.00417 -0.00581 AFIX 23 H15A 2 0.405614 0.885128 0.179790 11.00000 -1.20000 H15B 2 0.494266 0.971392 0.195503 11.00000 -1.20000 AFIX 0 C28 1 0.700256 0.275140 0.298418 11.00000 0.03078 0.01839 = 0.02733 0.00158 -0.00439 -0.00329 AFIX 43 H28 2 0.785007 0.205188 0.298084 11.00000 -1.20000 AFIX 0 C27 1 0.583305 0.244827 0.292657 11.00000 0.03805 0.01717 = 0.03175 -0.00006 -0.00178 -0.00995 AFIX 43 H27 2 0.589101 0.156493 0.286886 11.00000 -1.20000 AFIX 0 C18 1 0.521650 0.917841 0.097533 11.00000 0.03725 0.02397 = 0.02547 0.00669 -0.00630 -0.00932 AFIX 13 H18 2 0.450163 1.001353 0.077740 11.00000 -1.20000 AFIX 0 C14 1 0.605923 0.761785 0.207156 11.00000 0.02243 0.01849 = 0.02385 0.00446 -0.00192 -0.00563 C30 1 0.303731 0.590252 0.308011 11.00000 0.02587 0.02301 = 0.04912 -0.00546 0.00289 -0.01041 AFIX 13 H30 2 0.314082 0.658622 0.334820 11.00000 -1.20000 AFIX 0 C22 1 0.520185 0.796676 0.062583 11.00000 0.05188 0.03493 = 0.02228 0.00378 -0.00407 -0.01922 AFIX 23 H22A 2 0.536451 0.811832 0.014416 11.00000 -1.20000 H22B 2 0.431606 0.786629 0.068319 11.00000 -1.20000 AFIX 0 C26 1 0.457460 0.348033 0.295615 11.00000 0.02969 0.02428 = 0.03432 -0.00003 0.00043 -0.01341 AFIX 43 H26 2 0.378422 0.327735 0.292355 11.00000 -1.20000 AFIX 0 C12 1 0.144533 0.957945 0.366771 11.00000 0.02007 0.03000 = 0.04541 0.00053 -0.00093 -0.00846 AFIX 137 H12A 2 0.151704 0.867735 0.386134 11.00000 -1.50000 H12B 2 0.083838 0.985331 0.328349 11.00000 -1.50000 H12C 2 0.109276 1.020905 0.400048 11.00000 -1.50000 AFIX 0 C19 1 0.632171 0.667011 0.094067 11.00000 0.06038 0.02558 = 0.02470 -0.00108 0.00345 -0.01348 AFIX 13 H19 2 0.632264 0.588823 0.071584 11.00000 -1.20000 AFIX 0 C17 1 0.745604 0.780247 0.195566 11.00000 0.02216 0.03704 = 0.02887 0.00608 -0.00001 -0.00938 AFIX 23 H17A 2 0.746198 0.857703 0.217555 11.00000 -1.20000 H17B 2 0.817708 0.699327 0.215728 11.00000 -1.20000 AFIX 0 C35 1 0.890110 0.378847 0.382538 11.00000 0.02813 0.03894 = 0.03407 -0.00060 -0.00765 -0.00555 AFIX 137 H35A 2 0.825555 0.420403 0.416292 11.00000 -1.50000 H35B 2 0.971512 0.399884 0.386427 11.00000 -1.50000 H35C 2 0.912712 0.281507 0.389189 11.00000 -1.50000 AFIX 0 C9 1 0.886066 0.692233 0.469359 11.00000 0.02363 0.03644 = 0.03584 0.00277 -0.00756 -0.00284 AFIX 137 H9A 2 0.878131 0.751703 0.503722 11.00000 -1.50000 H9B 2 0.977975 0.662362 0.452461 11.00000 -1.50000 H9C 2 0.864389 0.614248 0.488392 11.00000 -1.50000 AFIX 0 C11 1 0.277257 1.102018 0.314877 11.00000 0.02291 0.02147 = 0.04067 0.00478 -0.00530 -0.00577 AFIX 137 H11A 2 0.242257 1.163869 0.348661 11.00000 -1.50000 H11B 2 0.217507 1.131856 0.276072 11.00000 -1.50000 H11C 2 0.366922 1.100514 0.301561 11.00000 -1.50000 AFIX 0 C16 1 0.605536 0.641345 0.170196 11.00000 0.03971 0.02114 = 0.02407 0.00191 0.00050 -0.00830 AFIX 23 H16A 2 0.675731 0.557944 0.189489 11.00000 -1.20000 H16B 2 0.517755 0.629668 0.176394 11.00000 -1.20000 AFIX 0 C8 1 0.821578 0.892670 0.379246 11.00000 0.02071 0.02873 = 0.03955 -0.00006 -0.00186 -0.01128 AFIX 137 H8A 2 0.758628 0.940150 0.342868 11.00000 -1.50000 H8B 2 0.913113 0.861890 0.361895 11.00000 -1.50000 H8C 2 0.814729 0.953278 0.412925 11.00000 -1.50000 AFIX 0 C34 1 0.932799 0.375707 0.257714 11.00000 0.02525 0.03153 = 0.03779 -0.00159 -0.00093 -0.00742 AFIX 137 H34A 2 0.961682 0.277723 0.263428 11.00000 -1.50000 H34B 2 1.010387 0.402752 0.262171 11.00000 -1.50000 H34C 2 0.892571 0.409921 0.213535 11.00000 -1.50000 AFIX 0 C20 1 0.772986 0.803920 0.119389 11.00000 0.03064 0.04765 = 0.03255 0.00649 0.00604 -0.01288 AFIX 13 H20 2 0.862427 0.814002 0.113035 11.00000 -1.20000 AFIX 0 C23 1 0.771153 0.683590 0.084286 11.00000 0.05209 0.04021 = 0.02868 0.00470 0.01390 -0.00087 AFIX 23 H23A 2 0.842621 0.600693 0.103100 11.00000 -1.20000 H23B 2 0.788634 0.698859 0.036263 11.00000 -1.20000 AFIX 0 C21 1 0.661106 0.934084 0.087983 11.00000 0.04645 0.03522 = 0.02455 0.00723 0.00149 -0.02006 AFIX 23 H21A 2 0.661495 1.012019 0.109617 11.00000 -1.20000 H21B 2 0.678634 0.950226 0.040026 11.00000 -1.20000 AFIX 0 C32 1 0.199943 0.537124 0.344497 11.00000 0.02554 0.04871 = 0.04579 0.00527 0.00072 -0.01147 AFIX 137 H32A 2 0.180088 0.475962 0.317722 11.00000 -1.50000 H32B 2 0.117460 0.612514 0.351218 11.00000 -1.50000 H32C 2 0.236511 0.489230 0.387672 11.00000 -1.50000 AFIX 0 C31 1 0.250024 0.663049 0.240553 11.00000 0.04190 0.07017 = 0.06443 0.03487 0.01345 0.01820 AFIX 137 H31A 2 0.313182 0.703078 0.219743 11.00000 -1.50000 H31B 2 0.163154 0.733682 0.246008 11.00000 -1.50000 H31C 2 0.239028 0.599431 0.212313 11.00000 -1.50000 AFIX 66 PART 1 C44 1 0.188417 0.557145 0.079661 21.00000 0.09070 0.07071 = 0.05263 -0.02925 -0.01007 -0.01457 AFIX 43 H44 2 0.110956 0.632639 0.066625 21.00000 -1.20000 AFIX 65 C43 1 0.317191 0.556820 0.059434 21.00000 0.12047 0.06725 = 0.04566 -0.00837 -0.00355 -0.05185 AFIX 43 H43 2 0.325889 0.632097 0.032865 21.00000 -1.20000 AFIX 65 C42 1 0.432965 0.443987 0.078918 21.00000 0.06778 0.10803 = 0.05781 -0.03696 0.01389 -0.05958 AFIX 43 H42 2 0.519124 0.443770 0.065385 21.00000 -1.20000 AFIX 65 C47 1 0.419967 0.331477 0.118629 21.00000 0.06767 0.05385 = 0.06322 -0.01888 -0.02031 -0.01656 AFIX 43 H47 2 0.497428 0.255984 0.131665 21.00000 -1.20000 AFIX 65 C46 1 0.291193 0.331800 0.138856 21.00000 0.11285 0.08219 = 0.04129 0.00118 -0.01421 -0.06991 AFIX 43 H46 2 0.282497 0.256523 0.165425 21.00000 -1.20000 AFIX 65 C45 1 0.175418 0.444633 0.119372 21.00000 0.06403 0.12291 = 0.04512 -0.03376 0.00179 -0.05463 AFIX 43 H45 2 0.089260 0.444849 0.132905 21.00000 -1.20000 AFIX 66 PART 0 PART 2 C46A 1 0.175940 0.506417 0.065559 -21.00000 0.04699 0.03890 = 0.05569 -0.00250 -0.00284 0.00036 AFIX 43 H46A 2 0.106514 0.580108 0.043494 -21.00000 -1.20000 AFIX 65 C47A 1 0.306141 0.511786 0.070639 -21.00000 0.12325 0.04146 = 0.03723 0.00265 -0.00305 -0.03678 AFIX 43 H47A 2 0.323828 0.589069 0.051973 -21.00000 -1.20000 AFIX 65 C42A 1 0.409908 0.401646 0.103618 -21.00000 0.05918 0.03128 = 0.05738 0.00832 -0.00741 -0.02325 AFIX 43 H42A 2 0.497021 0.405238 0.107017 -21.00000 -1.20000 AFIX 65 C43A 1 0.383473 0.286136 0.131517 -21.00000 0.05323 0.03417 = 0.04268 -0.00188 -0.00549 -0.01694 AFIX 43 H43A 2 0.452900 0.212446 0.153582 -21.00000 -1.20000 AFIX 65 C44A 1 0.253273 0.280766 0.126438 -21.00000 0.07911 0.04872 = 0.03790 -0.00385 0.00878 -0.02289 AFIX 43 H44A 2 0.235587 0.203482 0.145104 -21.00000 -1.20000 AFIX 65 C45A 1 0.149506 0.390905 0.093459 -21.00000 0.05121 0.06277 = 0.04546 -0.00920 0.01242 -0.01357 AFIX 43 H45A 2 0.062393 0.387311 0.090060 -21.00000 -1.20000 AFIX 0 PART 0 H 2 0.359604 0.540640 0.490863 11.00000 0.02061 PART 1 C40 1 0.837177 1.163559 0.145038 31.00000 0.03500 0.07382 = 0.05825 -0.02514 -0.00524 -0.02514 AFIX 43 H40 2 0.747552 1.180768 0.159440 31.00000 -1.20000 AFIX 0 C39 1 0.937229 1.048424 0.170628 31.00000 0.05109 0.05690 = 0.06651 0.00115 -0.00444 -0.03742 AFIX 43 H39 2 0.915883 0.986518 0.202167 31.00000 -1.20000 AFIX 0 C38 1 1.072534 1.021328 0.150206 31.00000 0.03292 0.04271 = 0.07989 -0.00143 -0.00588 -0.00921 AFIX 43 H38 2 1.142368 0.942840 0.168157 31.00000 -1.20000 AFIX 0 C41 1 0.865938 1.254934 0.098326 31.00000 0.05431 0.04811 = 0.05721 -0.00617 -0.01844 -0.01515 AFIX 43 H41 2 0.796239 1.334319 0.081168 31.00000 -1.20000 AFIX 0 C37 1 1.099210 1.114282 0.102762 31.00000 0.03545 0.08378 = 0.07310 -0.00407 0.00830 -0.02326 AFIX 43 H37 2 1.188389 1.098504 0.087970 31.00000 -1.20000 AFIX 0 C36 1 0.995663 1.230226 0.076939 31.00000 0.06408 0.08031 = 0.05347 0.01500 -0.00807 -0.04261 AFIX 43 H36 2 1.014936 1.292096 0.044546 31.00000 -1.20000 AFIX 66 PART 0 PART -1 C37A 1 1.087683 0.962271 0.104956 -31.00000 0.07404 0.07181 = 0.11104 -0.02693 -0.03907 0.00498 AFIX 43 H37A 2 1.164226 0.885529 0.117652 -31.00000 -1.20000 AFIX 65 C38A 1 1.000642 1.030265 0.154214 -31.00000 0.10936 0.07472 = 0.06799 0.00674 -0.05495 -0.01072 AFIX 43 H38A 2 1.018948 0.999015 0.199866 -31.00000 -1.20000 AFIX 65 C39A 1 0.886240 1.144966 0.135239 -31.00000 0.08835 0.06184 = 0.05340 -0.01022 0.00126 -0.03356 AFIX 43 H39A 2 0.828005 1.190458 0.168195 -31.00000 -1.20000 AFIX 65 C40A 1 0.858878 1.191672 0.067006 -31.00000 0.06532 0.06453 = 0.05486 0.00270 0.00415 -0.00193 AFIX 43 H40A 2 0.782335 1.268414 0.054310 -31.00000 -1.20000 AFIX 65 C41A 1 0.945918 1.123679 0.017748 -31.00000 0.11062 0.06157 = 0.05058 0.01073 0.02347 -0.01149 AFIX 43 H41A 2 0.927611 1.154930 -0.027905 -31.00000 -1.20000 AFIX 65 C36A 1 1.060321 1.008979 0.036722 -31.00000 0.06096 0.05335 = 0.09402 -0.02028 0.03245 -0.02731 AFIX 43 H36A 2 1.118556 0.963487 0.003765 -31.00000 -1.20000 AFIX 0 HKLF 4 REM hasj151204b_a.res in P-1 REM R1 = 0.0569 for 7002 Fo > 4sig(Fo) and 0.0596 for all 7410 data REM 537 parameters refined using 36 restraints END WGHT 0.0884 1.6026 REM Highest difference peak 0.721, deepest hole -0.570, 1-sigma level 0.070 Q1 1 0.5266 0.6284 0.3848 11.00000 0.05 0.72 Q2 1 0.4956 0.6188 0.4892 11.00000 0.05 0.50 Q3 1 0.5741 0.6607 0.4465 11.00000 0.05 0.49 Q4 1 0.4452 0.5787 0.4276 11.00000 0.05 0.46 Q5 1 0.1772 0.5075 0.1129 11.00000 0.05 0.42 Q6 1 0.2236 0.3838 0.1375 11.00000 0.05 0.42 Q7 1 1.0885 1.0383 0.0776 11.00000 0.05 0.38 Q8 1 0.2458 0.5776 0.0702 11.00000 0.05 0.37 Q9 1 0.3936 0.5127 0.0662 11.00000 0.05 0.32 Q10 1 1.0129 1.1431 0.0478 11.00000 0.05 0.32 Q11 1 0.3525 0.3180 0.1349 11.00000 0.05 0.28 Q12 1 0.7622 0.7991 0.1561 11.00000 0.05 0.27 Q13 1 0.2715 0.6460 0.1890 11.00000 0.05 0.27 Q14 1 0.7636 0.4272 0.3095 11.00000 0.05 0.26 Q15 1 0.5866 0.7614 0.2415 11.00000 0.05 0.26 Q16 1 0.9130 1.1881 0.0699 11.00000 0.05 0.25 Q17 1 0.4433 0.3766 0.0965 11.00000 0.05 0.25 Q18 1 0.5961 0.7842 0.4210 11.00000 0.05 0.24 Q19 1 0.6199 0.9032 0.3125 11.00000 0.05 0.24 Q20 1 0.8401 0.3870 0.3454 11.00000 0.05 0.24 ; _shelx_res_checksum 84552 _shelx_hkl_file ; 0 0 -2 34673.7 980.088 3 0 0 2 37512.0 989.267 2 0 0 -3 44307.0 1044.86 8 0 0 -3 43429.2 1291.60 3 0 0 -4 426712. 7311.03 3 0 0 4 433970. 7373.23 2 0 0 -5 884894. 15040.4 3 0 0 -5 918118. 14264.3 8 0 0 -6 10969.8 842.122 3 0 0 -6 10744.9 595.796 8 0 0 6 11301.8 865.179 2 0 0 -6 10384.5 647.947 18 0 0 6 9608.95 758.683 12 0 0 7 6437.06 691.453 12 0 0 -7 5565.71 544.855 22 0 0 -7 6255.59 549.487 18 0 0 7 7521.61 788.187 2 0 0 -7 7056.36 515.290 8 0 0 7 6709.16 706.000 24 0 0 -7 6479.85 716.710 3 0 0 -8 274895. 5599.83 18 0 0 -8 285392. 5394.89 8 0 0 8 298421. 6681.88 2 0 0 8 258714. 6290.29 24 0 0 -8 290628. 6393.78 3 0 0 8 258964. 6249.49 12 0 0 -8 259064. 5581.11 22 0 0 9 1048.71 263.220 21 0 0 -9 1074.37 241.386 8 0 0 -9 1101.77 280.003 18 0 0 -9 1090.99 290.963 22 0 0 -9 1574.96 339.377 19 0 0 9 1078.52 353.840 2 0 0 9 827.935 305.835 24 0 0 -9 909.590 309.086 3 0 0 9 1086.82 337.908 12 0 0 -10 162331. 4895.18 3 0 0 -10 154573. 3778.64 8 0 0 10 162061. 5141.03 2 0 0 10 160492. 4913.80 25 0 0 -10 151688. 4765.51 4 0 0 10 152902. 4848.48 12 0 0 -10 149617. 4014.15 18 0 0 10 164279. 5074.97 24 0 0 11 385.572 277.088 24 0 0 11 317.966 236.401 12 0 0 -11 137.629 96.4220 19 0 0 -11 213.154 146.918 8 0 0 -11 196.100 211.192 4 0 0 -11 165.273 156.985 18 0 0 11 405.438 284.396 2 0 0 11 105.054 139.242 25 0 0 -12 1956.38 248.319 28 0 0 12 2241.76 623.970 2 0 0 -12 1843.02 435.930 19 0 0 -12 1124.64 441.700 4 0 0 12 1584.38 525.501 25 0 0 12 1950.30 561.844 12 0 0 -12 1624.26 350.642 8 0 0 -12 1571.25 386.178 18 0 0 13 47052.1 2982.53 12 0 0 -13 33235.6 1733.17 8 0 0 13 40329.0 2456.66 7 0 0 13 44585.2 3021.83 5 0 0 -13 41125.3 1286.94 28 0 0 -13 40674.4 2216.00 19 0 0 13 44747.1 2929.56 25 0 0 -13 40894.3 2647.92 4 0 0 13 43069.9 2967.22 2 0 0 -13 42315.2 2173.59 18 0 0 14 360.934 209.131 25 0 0 -14 782.825 193.356 31 0 0 -14 969.328 436.946 4 0 0 -14 711.686 181.817 45 0 0 -14 598.664 160.141 35 0 0 14 468.930 306.535 7 0 0 14 690.007 359.420 12 0 0 14 601.630 338.743 5 0 0 -14 913.703 359.748 18 0 0 14 927.668 438.710 2 0 0 -14 676.313 296.395 19 0 0 -14 808.829 216.977 29 0 0 -15 39844.2 1526.72 35 0 0 -15 41758.6 2356.78 19 0 0 15 46561.5 3333.17 12 0 0 -15 43929.7 3029.29 4 0 0 -15 48872.7 1676.03 31 0 0 15 48795.2 3521.37 5 0 0 15 52836.5 3557.50 25 0 0 -15 40247.3 2360.51 18 0 0 15 46604.0 3452.36 2 0 0 15 45491.2 1824.06 41 0 0 -15 44878.7 1552.37 45 0 0 -15 42234.9 1703.72 29 0 0 -16 30006.5 1298.31 45 0 0 16 37788.9 1672.92 41 0 0 -16 33007.5 1398.03 35 0 0 -16 34336.0 1422.57 31 0 0 16 38131.1 3286.95 2 0 0 -16 35233.8 1576.63 29 0 0 -16 33064.9 2173.92 18 0 0 -16 33190.0 2721.44 4 0 0 16 42928.6 3346.24 25 0 0 16 38563.3 3276.08 5 0 0 17 5932.77 642.503 41 0 0 -17 4986.08 1042.29 4 0 0 17 5643.01 1282.23 5 0 0 17 5728.79 1119.76 20 0 0 17 5555.97 1288.44 2 0 0 -17 5029.59 520.350 35 0 0 -17 5023.39 591.202 29 0 0 -17 4783.12 504.221 31 0 0 -17 4724.09 494.712 45 0 0 17 7136.05 812.534 34 0 0 17 4879.54 1111.32 25 0 0 -18 3253.19 416.947 45 0 0 -18 3076.30 409.242 35 0 0 -18 3437.25 430.916 31 0 0 18 4670.93 674.723 34 0 0 18 4469.21 1124.43 25 0 0 -18 3711.93 515.199 29 0 0 -19 39.7132 94.9550 50 0 0 19 244.018 376.188 25 0 0 19 234.871 214.212 34 0 0 -19 137.530 112.202 31 0 0 -19 266.150 154.702 35 0 0 20 1000.10 276.908 34 0 0 -20 535.938 159.120 35 0 0 -20 1074.76 267.776 50 0 0 -20 671.024 177.384 31 0 0 -21 0.88987 54.8414 31 0 0 -21-18.7826 68.8707 50 0 0 -21-50.5003 89.4357 35 0 0 21-95.1818 133.068 34 0 0 -22 9195.10 673.990 50 0 0 22 8183.20 702.093 37 0 0 22 9875.60 821.008 34 0 0 -23 22116.8 964.726 50 0 0 23 24415.8 1184.94 34 0 1 -23 8462.53 552.096 50 0 -1 23 7545.81 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28 0 4 4 41843.3 2074.63 5 0 4 5 3526.33 622.858 20 0 4 5 3912.41 630.106 5 0 -4 -5 3680.57 330.003 28 0 4 5 3432.35 581.135 9 0 -4 -5 3496.29 487.788 6 0 -4 -5 3603.16 550.240 16 0 4 5 3693.04 633.941 23 0 4 6 1174.10 368.644 20 0 4 6 1181.42 344.213 9 0 4 6 1049.40 300.760 25 0 4 6 1129.90 371.971 23 0 -4 -6 1187.70 310.070 16 0 -4 -6 1318.51 301.745 6 0 -4 -6 942.125 183.309 28 0 4 6 1092.32 368.930 5 0 -4 -7 44397.3 1401.38 28 0 4 7 47229.6 2392.95 9 0 4 7 44147.4 2389.06 5 0 -4 -7 41223.1 1727.64 6 0 4 7 48001.3 2536.02 20 0 -4 -7 44032.3 2000.23 16 0 4 7 41735.2 2143.88 25 0 -4 -8 46385.2 1488.65 28 0 -4 -8 44217.1 1745.83 6 0 4 8 47913.7 2666.37 20 0 4 8 44523.8 2440.61 9 0 -4 -8 46271.7 2444.34 19 0 4 8 44616.3 2478.09 5 0 -4 -8 44779.4 2006.76 16 0 4 8 44840.1 2345.41 25 0 4 9 8121.17 1033.32 25 0 4 9 6963.43 998.689 5 0 -4 -9 6759.72 632.536 6 0 -4 -9 7324.52 992.458 19 0 4 9 7157.96 990.754 9 0 -4 -9 7787.73 792.377 16 0 -4 -9 7482.87 577.794 28 0 4 9 8974.18 1179.75 20 0 -4 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3938.00 597.397 7 -2 3 3 3558.46 577.980 23 2 -3 -3 3118.16 465.240 17 2 -3 -3 2954.48 270.315 28 -2 3 3 3078.72 485.737 22 2 -3 -3 3267.01 476.097 3 2 -3 -3 3561.10 639.088 16 -2 3 2 42505.5 2031.44 20 -2 3 2 38391.3 1753.71 22 2 -3 -2 44301.8 2211.28 16 2 -3 -2 36713.5 1743.71 17 -2 3 2 40131.6 1731.22 4 -2 3 2 42145.4 2024.69 23 -2 3 2 40480.2 2084.13 5 -2 3 2 42751.0 2063.94 7 2 -3 -1 1087.40 376.593 2 2 -3 -1 967.092 267.007 21 -2 3 1 1069.28 330.337 20 -2 3 1 847.472 199.608 11 -2 3 1 1071.42 303.063 23 -2 3 1 1075.91 240.236 18 -2 3 1 911.664 322.909 5 2 -3 -1 1004.95 299.728 17 -2 3 1 1099.01 279.515 22 -2 3 1 904.367 256.367 4 2 -3 -1 999.203 184.196 13 2 -3 -1 988.784 323.463 16 -2 3 0 938.078 274.570 20 -2 3 0 994.065 301.227 23 2 -3 0 1060.16 296.708 21 -2 3 0 996.432 193.075 11 -2 3 0 976.171 212.255 18 2 -3 0 979.366 282.491 17 -2 3 0 994.684 290.232 4 2 -3 0 1428.16 396.712 16 2 -3 0 1079.72 378.503 2 -2 3 0 1015.07 268.334 22 -2 3 0 1159.81 350.591 5 2 -3 0 880.378 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3742.60 24 -2 3 -9 97733.2 3143.93 18 -2 3 -9 92586.2 4197.64 4 2 -3 9 94350.4 4702.63 2 2 -3 9 90479.0 3807.33 17 -2 3 -9 87330.8 3458.09 23 2 -3 9 96846.4 4261.09 21 2 -3 10 38670.3 3089.80 2 -2 3 -10 46050.6 2360.79 22 -2 3 -10 42423.0 1408.08 35 2 -3 10 39705.9 2491.25 17 -2 3 -10 45133.8 2109.23 18 2 -3 10 43119.1 2829.71 21 2 -3 10 37484.8 2524.43 24 -2 3 -10 39811.4 2797.50 4 2 -3 11 7952.57 1233.52 21 2 -3 11 8038.93 701.839 48 -2 3 -11 8972.55 570.893 45 2 -3 11 7719.68 1419.02 2 -2 3 -11 9741.34 1103.92 22 -2 3 -11 7582.56 1236.38 4 -2 3 -11 8661.68 608.568 35 -2 3 -11 9907.65 999.600 18 -2 3 -11 7365.00 605.320 30 -2 3 -11 5879.57 559.811 29 2 -3 11 8231.13 1131.58 17 2 -3 11 7784.68 1188.16 24 2 -3 12 17531.6 1088.35 48 2 -3 12 18884.8 1959.86 24 -2 3 -12 14942.3 957.839 29 -2 3 -12 20721.0 1000.67 35 -2 3 -12 18291.4 1451.84 18 -2 3 -12 18982.4 2027.31 4 2 -3 12 19677.5 1783.87 17 -2 3 -12 17245.0 976.617 30 2 -3 12 17704.5 2254.23 2 -2 3 -12 23382.8 1777.86 22 -2 3 -12 19261.5 895.040 45 2 -3 12 21076.7 2037.90 21 -2 3 -13 41859.5 1512.36 35 -2 3 -13 36484.2 2197.01 18 -2 3 -13 33804.7 2809.65 4 -2 3 -13 34252.7 1468.51 30 2 -3 13 36621.1 1621.75 48 -2 3 -13 31941.7 1473.70 29 2 -3 13 41389.2 1889.86 41 -2 3 -13 36369.3 1333.97 45 2 -3 13 42172.0 2990.61 21 -2 3 -13 42382.8 2514.19 22 2 -3 13 37639.3 2948.86 24 2 -3 13 37219.5 3418.75 2 2 -3 14 4720.23 571.246 48 -2 3 -14 5396.36 924.298 22 2 -3 14 4913.35 658.357 41 -2 3 -14 5493.10 538.641 35 2 -3 14 5358.68 1069.19 21 -2 3 -14 4893.82 802.098 18 -2 3 -14 4840.25 523.648 30 2 -3 14 4466.87 1227.68 2 -2 3 -14 4048.63 507.257 29 -2 3 -14 4028.75 984.419 4 -2 3 -14 4454.36 445.061 45 2 -3 15 29172.0 1414.17 48 -2 3 -15 28237.8 1184.79 45 -2 3 -15 28536.8 2150.76 22 2 -3 15 30048.5 2571.85 21 -2 3 -15 24408.9 1241.67 30 2 -3 15 30606.1 1636.58 41 -2 3 -15 25212.6 1314.37 29 -2 3 -15 31323.5 1349.00 35 -2 3 -15 25282.6 1902.06 18 -2 3 -16 317.980 143.732 50 -2 3 -16 403.482 134.767 45 -2 3 -16 372.293 146.670 29 2 -3 16 456.907 178.651 41 -2 3 -16 332.698 170.029 35 2 -3 16 638.030 354.203 21 -2 3 -16 365.539 269.790 18 -2 3 -16 404.080 144.979 30 -2 3 -17 5093.30 531.937 35 -2 3 -17 4027.75 413.427 45 -2 3 -17 3170.91 666.256 18 -2 3 -17 4203.84 507.037 29 -2 3 -17 4347.92 469.567 50 2 -3 17 5263.45 648.850 41 -2 3 -17 4498.58 485.866 30 -2 3 -18 31476.8 1317.25 35 2 -3 18 29890.3 1521.47 34 -2 3 -18 20039.5 1665.87 18 -2 3 -18 21714.1 998.829 45 2 -3 18 32200.5 1590.07 41 -2 3 -18 24942.1 1228.13 29 -2 3 -18 26076.1 1149.83 50 2 -3 19 435.532 175.815 34 2 -3 19 549.624 209.944 41 -2 3 -19 420.199 121.620 45 -2 3 -19 485.057 165.882 35 -2 3 -19 392.315 119.462 50 -2 3 -20 765.244 180.420 35 2 -3 20 600.517 186.685 34 -2 3 -20 518.250 131.458 50 2 -3 20 705.521 193.404 41 2 -3 21 2060.60 305.521 41 2 -3 21 1551.35 255.328 34 -2 3 -21 1160.95 165.481 50 -2 3 -21 1611.79 231.012 35 -2 2 23 1016.27 174.988 34 2 -2 -23 880.955 165.244 31 -2 2 22 1551.57 293.519 37 -2 2 22 1120.90 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223.508 50 -2 -3 22 1356.92 208.277 41 -2 -3 21 1888.84 319.158 34 2 3 -21 1293.88 185.698 31 -2 -3 21 2045.85 304.047 41 2 3 -21 1534.15 222.649 45 -2 -3 20 383.119 154.736 34 2 3 -20 256.805 96.7807 31 2 3 -20 151.895 82.9233 45 -2 -3 20 363.621 149.769 41 -2 -3 19 1132.05 303.755 34 2 3 -19 875.152 342.489 18 2 3 -19 787.708 178.901 31 2 3 -19 792.713 196.730 45 -2 -3 19 775.889 239.865 41 2 3 -18 16104.8 922.860 31 -2 -3 18 17689.3 1277.92 34 2 3 -18 17357.9 924.565 45 -2 -3 18 16209.6 1138.88 41 -2 -3 17 22157.3 1463.64 34 -2 -3 17 21465.8 1352.64 41 2 3 -17 17443.9 1566.11 18 2 3 -17 18910.0 1033.77 31 2 3 -17 20981.6 1036.62 45 -2 -3 16 7191.09 835.550 34 2 3 -16 6207.84 914.642 18 2 3 -16 8143.72 668.744 31 2 3 -16 7500.48 603.221 45 -2 -3 16 6880.10 776.417 41 -2 -3 15 1250.32 639.202 2 -2 -3 15 819.348 542.822 5 2 3 -15 1039.91 419.044 19 -2 -3 15 1135.54 347.551 34 2 3 -15 1274.98 269.557 31 -2 -3 15 1132.55 307.110 41 2 3 -15 514.845 336.596 4 -2 -3 15 1232.03 550.196 7 2 3 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21 2 3 -6 22910.7 1121.53 8 2 3 -6 29548.1 1514.77 19 2 3 -6 21065.0 1093.61 18 2 3 -6 18037.7 942.303 22 2 3 -6 21211.8 1459.63 3 -2 -3 6 19734.2 1369.07 17 2 3 -6 33210.5 944.622 27 -2 -3 6 19756.8 1530.98 2 -2 -3 6 20089.6 1431.10 21 2 3 -5 7182.49 785.229 3 -2 -3 5 6903.42 820.545 2 2 3 -5 6856.86 579.583 8 2 3 -5 6984.55 591.569 18 -2 -3 5 6440.67 741.299 17 2 3 -5 5791.55 481.088 22 2 3 -5 8732.56 757.547 19 -2 -3 5 6280.77 753.242 21 2 3 -4 21596.5 1293.20 3 2 3 -4 26107.3 1208.06 10 2 3 -4 25969.0 1255.60 19 2 3 -4 20126.5 1013.91 8 2 3 -4 20145.1 1011.99 18 -2 -3 4 20565.4 1298.33 17 -2 -3 4 20104.4 1296.90 21 -2 -3 4 20741.3 1296.59 2 -2 -3 3 861.186 249.749 2 -2 -3 3 922.506 267.934 21 2 3 -3 1103.48 253.062 10 2 3 -3 1091.58 272.140 3 2 3 -3 800.902 193.687 8 2 3 -3 903.122 212.907 18 -2 -3 3 912.499 257.386 17 2 3 -2 33856.6 1362.90 10 2 3 -2 31194.8 1240.03 8 2 3 -2 30743.0 1301.91 18 -2 -3 2 31405.7 1494.33 17 -2 -3 2 31427.5 1490.54 21 2 3 -2 32311.4 1390.97 3 2 3 -2 34340.8 1409.29 11 -2 -3 2 29307.0 1289.70 6 -2 -3 2 33753.3 1386.44 2 2 3 -1 10840.4 714.429 3 -2 -3 1 9482.33 643.166 2 -2 -3 1 9382.51 685.642 6 2 3 -1 9784.45 712.904 18 2 3 -1 10886.0 742.130 10 -2 -3 1 10218.5 811.902 17 2 3 -1 11354.5 785.079 11 2 3 0 32362.2 1190.68 3 -2 -3 0 28770.0 1240.72 6 2 3 0 30759.3 1338.20 11 2 3 0 31706.4 1235.37 9 -2 -3 0 28638.8 1083.84 2 -2 -3 0 30881.3 1382.83 17 -2 -3 -1 4997.06 429.547 7 2 3 1 5006.18 414.332 3 2 3 1 4194.33 442.664 9 -2 -3 -1 5086.68 530.397 17 -2 -3 -1 4459.00 362.253 2 -2 -3 -1 4429.49 473.807 6 2 3 1 3445.53 255.380 5 2 3 2 184334. 4010.23 9 2 3 2 192929. 3528.87 3 -2 -3 -2 190619. 3456.61 7 -2 -3 -3 14147.3 605.965 4 2 3 3 13358.5 638.058 3 2 3 3 15229.0 785.429 5 2 3 4 241175. 4787.46 5 -2 -3 -4 256605. 4885.86 6 2 3 5 34776.6 1499.86 5 -2 -3 -5 36658.4 1295.56 4 -2 -3 -6 43413.5 1605.22 4 2 3 6 42951.7 1811.49 5 2 3 7 69017.8 2535.95 5 -2 -3 -7 80022.0 2447.70 4 2 3 7 81608.1 2457.28 2 2 3 7 65343.5 1855.71 15 -2 -3 -7 65506.2 1619.38 28 2 3 7 84598.8 2420.70 13 -2 -3 -7 93533.1 2483.91 6 -2 -3 -8 35494.0 1684.56 4 2 3 8 28226.8 1656.72 5 -2 -3 -8 30714.3 1009.66 28 2 3 8 35754.6 1675.67 2 -2 -3 -8 40914.0 1611.66 6 2 3 8 34120.1 1200.15 1 2 3 8 34168.7 1932.72 12 2 3 8 38082.2 1657.69 13 -2 -3 -9 1256.64 188.006 28 2 3 9 1437.64 429.992 12 2 3 9 724.707 294.883 5 -2 -3 -9 1506.54 375.701 4 2 3 9 1454.33 224.706 1 2 3 9 1824.80 409.057 24 2 3 9 1157.42 307.082 2 2 3 9 1210.92 320.294 13 -2 -3 -9 1587.41 315.957 6 2 3 10 3002.16 564.452 24 -2 -3 -10 2768.78 526.906 4 2 3 10 3442.43 603.070 2 -2 -3 -10 2574.19 282.726 28 2 3 10 3421.08 686.988 12 2 3 10 2503.78 531.892 5 -2 -3 -10 3268.91 461.072 6 2 3 11 7938.30 1089.45 12 -2 -3 -11 6835.94 476.126 28 -2 -3 -11 7330.50 757.623 6 2 3 11 6875.59 934.242 2 -2 -3 -11 6804.50 890.151 4 2 3 11 6019.22 901.891 5 2 3 11 8397.91 1000.15 24 2 3 12 19717.0 1692.04 24 2 3 12 18148.4 1624.63 2 2 3 12 15931.4 1548.66 5 -2 -3 -12 16588.7 801.942 28 2 3 12 18002.8 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6 4414.85 602.142 12 -2 -4 -6 5186.41 588.389 6 2 4 6 4572.95 604.125 5 2 4 6 4535.05 445.202 13 2 4 7 299.200 148.760 12 -2 -4 -7 378.916 171.373 6 2 4 7 390.952 202.590 5 2 4 7 448.783 162.118 13 2 4 8 1508.83 490.226 12 2 4 8 1056.71 377.327 5 -2 -4 -8 1568.90 358.521 6 2 4 9 59836.9 2853.00 12 2 4 9 62159.6 2576.04 2 -2 -4 -9 63832.5 2295.59 6 2 4 10 36771.8 2224.02 5 -2 -4 -10 43579.2 1924.42 6 2 4 10 42611.0 2118.25 24 2 4 10 44922.9 2321.55 2 2 4 10 39312.8 2294.83 25 2 4 10 42707.5 2529.78 12 -2 -4 -10 40229.1 1359.75 28 2 4 11 9601.85 1242.95 12 2 4 11 8672.85 979.557 24 2 4 11 7466.56 1019.25 5 -2 -4 -11 8249.85 584.804 28 2 4 11 9065.75 1081.05 2 2 4 11 7257.40 1027.21 25 -2 -4 -11 8817.11 847.296 6 2 4 12 544.946 301.495 5 2 4 12 551.379 311.405 24 2 4 12 460.451 290.130 25 2 4 12 462.506 224.240 2 2 4 12 438.378 255.515 12 2 4 13 65275.7 3731.17 12 -2 -4 -13 63329.6 2074.59 31 -2 -4 -13 59188.4 2130.63 50 2 4 13 64018.6 3547.38 25 2 4 14 5065.53 954.981 5 -2 -4 -14 6434.28 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18 2 5 -4 24780.7 1414.21 8 -2 -5 4 27743.3 1926.65 17 2 5 -4 31251.7 1640.93 10 -2 -5 4 27639.1 1951.51 21 -2 -5 3 40695.5 2330.01 21 -2 -5 3 43911.5 2295.87 2 2 5 -3 34531.5 1654.07 4 2 5 -3 41597.5 1859.06 8 2 5 -3 42495.7 1926.91 18 -2 -5 3 39885.2 2279.47 17 2 5 -3 44911.4 1983.83 10 2 5 -3 40081.0 1857.75 22 2 5 -3 39077.4 1861.51 3 -2 -5 2 32.7497 99.7400 21 2 5 -2 246.163 139.952 11 2 5 -2 225.891 157.029 10 2 5 -2-7.12632 111.938 18 2 5 -2 128.987 98.8018 3 2 5 -2 57.5375 117.187 4 -2 -5 2 163.490 156.399 2 -2 -5 2 160.137 144.738 17 2 5 -2 121.350 144.516 22 -2 -5 1 33366.4 1836.91 2 2 5 -1 33511.4 1808.50 11 2 5 -1 35465.1 1771.80 10 2 5 -1 29799.2 1351.48 3 -2 -5 1 32110.3 1924.41 17 2 5 -1 34501.2 1827.84 22 2 5 -1 32371.5 1718.23 18 -2 -5 1 31268.3 1866.37 21 2 5 0 6424.90 790.910 22 2 5 0 4692.34 580.316 23 2 5 0 5686.32 730.381 18 -2 -5 0 6655.13 772.248 2 -2 -5 0 5723.39 780.659 17 2 5 0 5672.65 739.798 11 -2 -5 0 5488.25 725.933 21 -2 -5 0 5791.20 740.654 6 2 5 1 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2472.46 558.076 20 2 5 8 1972.72 472.409 12 2 5 8 2510.61 555.300 9 2 5 8 3286.29 635.593 5 2 5 8 2798.02 532.783 25 -2 -5 -9 6050.77 767.027 6 2 5 9 5411.10 863.774 5 2 5 9 5354.98 884.890 12 2 5 9 5678.75 928.907 9 2 5 9 4882.73 759.689 25 2 5 10 32392.8 2194.76 5 2 5 10 36391.4 2226.20 25 2 5 10 37560.9 2463.20 12 2 5 10 33788.3 2319.01 9 -2 -5 -10 37294.2 1897.33 6 2 5 11 70032.2 3470.11 5 -2 -5 -11 85424.9 2501.12 31 2 5 11 81528.1 3866.02 20 2 5 11 79968.2 3609.06 25 -2 -5 -11 82108.4 2973.36 6 2 5 11 71581.4 3562.62 9 2 5 11 81177.1 3919.37 12 -2 -5 -12 214.013 113.636 50 -2 -5 -12 81.4621 65.5497 47 2 5 12 73.8280 91.6308 5 -2 -5 -12 72.3994 53.9452 31 2 5 12-112.027 176.198 25 2 5 12 373.244 322.413 20 2 5 12 281.974 254.264 12 2 5 12 50.6555 124.656 9 2 5 13 1209.54 534.786 12 2 5 13 1250.64 497.832 20 2 5 13 1277.23 508.853 5 2 5 13 904.210 402.734 25 2 5 13 765.369 378.393 9 -2 -5 -13 1522.56 322.774 31 -2 -5 -13 1375.63 250.994 47 -2 -5 -13 1131.26 288.400 50 2 5 14 12623.1 1647.40 20 -2 -5 -14 12764.8 929.185 31 -2 -5 -14 12626.8 966.326 50 2 5 14 9080.59 1335.92 5 2 5 14 12766.8 1587.32 25 2 5 14 10414.8 1439.95 9 2 5 15 972.692 496.549 20 2 5 15 326.422 279.741 5 2 5 15 547.345 395.298 9 -2 -5 -15 502.645 199.549 50 -2 -5 -15 545.685 197.679 31 2 5 15 499.654 322.362 25 2 5 16 2496.16 752.257 20 2 5 16 2158.90 692.181 9 -2 -5 -16 2530.81 417.829 31 2 5 16 2126.58 692.600 25 -2 -5 -16 2932.45 453.109 50 2 5 17 16170.6 1994.82 20 2 5 17 14446.7 1813.23 25 -2 -5 -17 15090.9 1016.08 31 -2 -5 -17 15488.9 1027.24 50 2 5 18 1604.17 604.654 20 -2 -5 -18 1670.90 316.872 31 -2 -5 -18 1876.66 350.899 50 2 5 18 1351.90 489.063 25 -2 -5 -19 4898.41 530.004 49 2 5 19 5519.55 1138.91 20 -2 -5 -19 4856.20 531.338 50 -2 -5 -19 4966.42 522.209 31 2 5 19 4117.56 961.423 23 2 5 20 265.922 214.691 23 -2 -5 -20-32.5847 64.7609 31 -2 -5 -20 84.0383 80.1364 49 -2 -5 -20 109.580 72.1350 50 2 5 21 2690.78 400.914 37 -2 -5 -21 2558.40 322.345 50 -2 -5 -21 2785.44 329.374 49 2 5 22 420.441 157.404 37 -2 -5 -22 311.090 108.112 50 -2 -5 -22 291.259 97.2742 49 -2 -6 19 228.452 104.835 41 2 6 -19 162.087 70.9617 45 2 6 -18 481.715 131.445 45 -2 -6 18 408.151 178.080 41 2 6 -17 238.175 103.314 45 -2 -6 17 455.337 205.867 41 2 6 -16 745.057 171.801 35 -2 -6 16 684.970 196.480 48 2 6 -16 918.853 202.504 45 -2 -6 16 1024.82 271.020 41 2 6 -15 13671.5 796.026 45 2 6 -15 11996.3 713.688 35 2 6 -15 11375.1 1204.49 18 -2 -6 15 12146.5 1059.17 41 -2 -6 15 11597.4 857.162 48 -2 -6 15 11128.4 1561.67 21 2 6 -14 8877.90 635.801 35 2 6 -14 10676.0 1181.43 18 -2 -6 14 9395.07 942.823 41 -2 -6 14 9261.51 813.677 48 2 6 -14 9496.98 653.346 31 2 6 -14 10231.5 697.715 45 -2 -6 14 6985.22 1313.78 21 -2 -6 13 86053.5 2842.12 48 2 6 -13 95534.3 2405.52 35 2 6 -13 96263.5 3735.54 18 -2 -6 13 93648.8 3249.41 41 -2 -6 13 91710.3 4916.58 21 -2 -6 12 26432.5 1450.52 48 2 6 -12 32405.8 2053.03 18 2 6 -12 29639.9 1148.94 35 2 6 -12 32392.6 1272.05 45 -2 -6 12 28759.2 1686.78 41 -2 -6 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157.296 101.010 39 2 6 -8-10.3701 61.8037 35 2 6 -8 15.3427 49.6680 45 -2 -6 8-86.1427 194.654 2 -2 -6 8-122.871 326.965 21 2 6 -8 71.5703 110.973 27 2 6 -8 18.0504 129.397 18 -2 -6 8-41.3999 285.347 17 2 6 -8-61.0108 94.9177 8 -2 -6 8 7.59008 112.295 48 2 6 -8-45.5675 146.701 19 2 6 -8 48.0835 53.6367 44 -2 -6 8 21.4277 93.7939 41 -2 -6 7 5769.65 1111.62 2 2 6 -7 6233.71 466.130 35 2 6 -7 9390.13 1070.09 19 -2 -6 7 8279.04 1291.76 21 2 6 -7 6220.61 765.014 8 2 6 -7 7033.48 487.297 44 2 6 -7 8398.94 925.090 18 -2 -6 7 6060.50 1064.12 17 -2 -6 7 4839.15 513.749 39 -2 -6 7 6869.81 677.927 48 2 6 -7 7061.89 838.390 22 -2 -6 7 6608.51 684.401 41 2 6 -7 10808.7 639.154 27 2 6 -6 44501.0 2169.52 18 2 6 -6 50787.9 2440.63 19 2 6 -6 34889.6 1888.26 8 -2 -6 6 39073.1 2692.42 17 -2 -6 6 42554.2 2896.88 21 -2 -6 6 34706.1 2658.33 2 2 6 -6 39569.1 1989.21 22 2 6 -5 105730. 3496.38 10 -2 -6 5 77986.1 3924.27 2 2 6 -5 82327.1 3087.53 8 -2 -6 5 93840.2 4196.84 17 2 6 -5 90941.2 3182.23 22 2 6 -5 106676. 3598.48 19 2 6 -5 95172.2 3302.31 18 -2 -6 5 91294.8 4253.36 21 2 6 -4 14825.7 1211.61 18 -2 -6 4 14572.9 1558.67 21 2 6 -4 16122.7 1262.24 10 -2 -6 4 13364.8 1472.87 2 2 6 -4 14046.0 1180.43 8 -2 -6 4 15553.2 1605.11 17 2 6 -4 15283.4 1211.59 22 -2 -6 3 178.985 145.250 21 2 6 -3 278.997 194.191 10 -2 -6 3 18.9247 96.6376 2 2 6 -3 309.987 216.031 8 2 6 -3 329.113 188.860 18 -2 -6 3 95.8274 195.190 17 2 6 -3 65.9855 85.5508 22 2 6 -2 1900.04 440.862 10 -2 -6 2 1884.64 498.565 21 2 6 -2 1553.31 403.760 18 -2 -6 2 1865.69 519.970 17 2 6 -2 2152.70 465.971 22 -2 -6 2 1876.55 504.915 2 2 6 -1 17327.8 1366.69 10 -2 -6 1 17757.8 1529.38 21 2 6 -1 19644.7 1466.16 22 2 6 -1 17710.1 1392.95 18 -2 -6 1 20800.6 1653.60 2 -2 -6 1 18739.4 1620.57 17 2 6 -1 17920.4 1422.30 11 -2 -6 1 18463.3 1553.46 6 2 6 0 109784. 3729.46 10 2 6 0 107099. 3795.86 22 2 6 0 98579.7 3278.31 23 2 6 0 107910. 3733.75 18 -2 -6 0 116660. 4172.29 17 -2 -6 0 105829. 3897.76 21 -2 -6 0 109001. 3979.70 6 2 6 0 114456. 3903.07 11 2 6 1 166617. 4873.78 18 -2 -6 -1 194850. 5307.24 2 2 6 1 166513. 5023.79 22 2 6 1 174129. 5065.36 11 -2 -6 -1 161293. 5002.07 17 -2 -6 -1 164073. 5024.42 6 2 6 1 137352. 4293.75 23 -2 -6 -1 148976. 4690.69 21 -2 -6 -2 12706.8 1241.34 6 -2 -6 -2 10665.6 1052.47 21 2 6 2 13348.7 1313.78 11 2 6 2 10711.4 1090.18 23 2 6 2 13443.5 1294.12 22 -2 -6 -2 11847.1 1167.19 17 2 6 3 6703.91 817.379 20 -2 -6 -3 7726.79 920.628 17 -2 -6 -3 6653.70 781.602 21 2 6 3 7122.10 909.904 23 -2 -6 -3 8255.79 973.458 6 2 6 3 8767.48 1050.68 11 2 6 3 8600.01 1068.72 22 2 6 4 1723.22 445.675 20 2 6 4 2171.33 541.716 9 -2 -6 -4 2389.61 527.502 6 2 6 4 2280.84 458.708 5 2 6 4 1913.24 470.801 23 2 6 5 44908.0 2416.14 20 2 6 5 48675.7 2709.56 9 2 6 5 52356.2 2425.77 5 2 6 5 46923.6 2576.60 23 -2 -6 -5 52865.6 2522.52 6 2 6 6 4727.10 723.880 5 -2 -6 -6 4286.61 693.573 6 2 6 6 4679.68 827.049 9 2 6 6 4673.28 769.316 20 2 6 6 4451.33 768.724 23 2 6 7 73.6187 142.782 20 2 6 7 268.896 215.997 5 2 6 7 391.317 264.328 9 2 6 7-44.4095 204.785 23 -2 -6 -7 582.580 232.250 6 2 6 8 14749.9 1501.05 20 -2 -6 -8 14435.1 1297.36 6 2 6 8 13660.4 1487.22 9 2 6 8 14366.9 1388.89 5 2 6 8 14330.4 1495.77 23 2 6 9 11006.1 1256.20 5 2 6 9 11267.7 1383.85 9 2 6 9 11543.1 1377.86 23 -2 -6 -9 12993.3 896.520 31 -2 -6 -9 11883.4 1165.83 6 2 6 9 11560.7 1370.33 20 2 6 10 11540.8 1415.17 20 -2 -6 -10 9449.72 1043.37 6 2 6 10 9371.26 1214.85 5 2 6 10 11423.9 1414.16 9 -2 -6 -10 9189.27 682.866 51 -2 -6 -10 9108.08 696.059 47 -2 -6 -10 11319.1 854.685 31 2 6 11 19288.0 1682.05 25 2 6 11 21163.6 1989.80 20 -2 -6 -11 20840.4 1172.54 50 2 6 11 18335.4 1887.43 9 -2 -6 -11 24165.1 1303.89 31 -2 -6 -11 21478.7 1081.83 47 2 6 11 18990.5 1793.42 5 -2 -6 -11 19263.2 1003.21 51 2 6 12 2540.92 697.427 20 2 6 12 1803.00 479.617 25 -2 -6 -12 2545.58 421.973 31 2 6 12 1680.29 556.104 9 -2 -6 -12 1909.96 299.056 51 -2 -6 -12 2702.56 437.361 50 -2 -6 -12 2223.59 352.126 47 2 6 13 16641.0 1695.02 25 2 6 13 19023.9 2022.63 20 -2 -6 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793.900 37 -2 -6 -20 13464.9 784.107 49 -2 -6 -20 11677.0 685.266 50 2 6 21 2398.88 318.447 37 -2 -6 -21 2088.72 249.303 50 2 6 22 406.846 122.966 37 -2 -6 -22 764.618 146.404 49 -2 -7 18 2973.34 363.483 41 2 7 -18 2597.26 256.430 45 -2 -7 17 3514.40 434.841 41 -2 -7 17 2926.58 314.487 48 2 7 -17 3067.60 302.139 45 2 7 -16 8001.92 502.911 35 2 7 -16 9079.14 571.708 45 -2 -7 16 8353.40 633.676 48 -2 -7 16 9046.74 781.902 41 -2 -7 15-23.6211 125.261 41 2 7 -15 5.79192 77.4241 45 -2 -7 15 33.0816 84.8463 48 2 7 -15-72.3083 51.7080 35 -2 -7 14 295.233 152.704 48 2 7 -14 292.595 114.066 35 2 7 -14 467.544 194.902 18 -2 -7 14 381.502 371.817 21 2 7 -14 533.254 171.230 45 -2 -7 14 509.499 215.050 41 -2 -7 13 2099.77 399.128 48 2 7 -13 2090.72 295.878 35 2 7 -13 2134.81 535.974 18 2 7 -13 2431.20 331.800 45 -2 -7 13 2214.58 460.426 41 -2 -7 12 6831.38 729.374 48 2 7 -12 6963.15 550.188 35 -2 -7 12 6603.50 796.458 41 2 7 -12 7774.32 604.864 45 2 7 -12 7241.89 958.164 18 -2 -7 12 5669.62 1219.61 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10196.5 1119.02 18 -2 -7 1 10056.8 1324.97 17 -2 -7 1 10890.4 1359.00 2 2 7 -1 10484.3 1161.16 22 -2 -7 1 8353.29 1174.22 21 -2 -7 0 210.741 154.861 21 2 7 0 591.661 317.292 11 2 7 0 480.734 216.671 10 2 7 0 612.161 321.679 18 -2 -7 0 498.441 247.410 17 2 7 0 544.429 305.630 22 -2 -7 0 460.832 242.575 6 2 7 1 28434.0 1985.39 11 2 7 1 26974.5 1967.06 22 2 7 1 27873.5 1963.39 18 -2 -7 -1 24481.1 1976.55 6 -2 -7 -1 28453.2 2129.25 17 2 7 1 24475.0 1673.10 23 -2 -7 -1 23664.5 1836.96 21 2 7 2 51774.8 2627.76 23 2 7 2 63434.1 3177.36 22 2 7 2 60086.3 3039.92 18 -2 -7 -2 56631.6 3008.59 17 2 7 2 62201.1 3060.52 11 -2 -7 -2 57904.8 3065.31 6 -2 -7 -2 54254.0 2688.87 21 2 7 3 7505.53 1014.65 23 2 7 3 9720.03 1212.58 11 2 7 3 8098.88 1163.84 22 -2 -7 -3 7489.95 1042.05 17 -2 -7 -3 7684.01 1068.07 6 2 7 4 3565.26 740.939 11 2 7 4 3384.45 712.881 23 2 7 4 3594.55 783.213 22 -2 -7 -4 3168.83 657.645 6 2 7 5 228.531 222.342 20 -2 -7 -5 467.784 179.705 51 -2 -7 -5 375.839 143.213 47 2 7 5 119.436 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2970.93 16 -3 6 -5 51832.6 1747.38 30 3 -6 5 47135.3 3523.46 21 -3 6 -5 48413.7 2774.15 20 3 -6 5 50810.3 3684.43 17 -3 6 -5 54650.5 2744.34 22 3 -6 5 48650.5 2170.69 48 3 -6 5 48492.4 3908.31 2 3 -6 6 9061.33 831.561 39 3 -6 6 9602.55 935.551 48 -3 6 -6 9593.37 648.453 35 -3 6 -6 9236.35 1134.02 22 3 -6 6 9670.51 1579.73 17 -3 6 -6 10170.0 1248.73 23 3 -6 6 7729.54 1571.50 2 3 -6 6 8451.64 1232.74 16 -3 6 -6 10618.1 740.508 30 3 -6 6 8740.91 1528.82 21 3 -6 7 3357.28 491.075 39 3 -6 7 4022.53 613.511 48 -3 6 -7 3308.09 383.186 35 -3 6 -7 3514.80 445.922 30 3 -6 7 3967.15 1036.15 17 3 -6 7 3689.22 1028.98 21 -3 6 -7 3673.11 747.883 23 -3 6 -7 4054.58 751.807 22 3 -6 8 201.876 330.422 17 3 -6 8 264.165 141.423 39 -3 6 -8 259.286 117.138 35 -3 6 -8 317.424 150.294 30 -3 6 -8 275.414 225.714 22 3 -6 8 300.926 226.429 48 -3 6 -8 225.552 229.250 23 3 -6 8 403.476 364.072 21 3 -6 9 3872.37 488.927 39 3 -6 9 4113.11 1121.24 21 -3 6 -9 4438.45 450.082 35 -3 6 -9 4273.26 499.171 30 3 -6 9 4368.33 1039.59 17 3 -6 9 4767.74 654.260 48 -3 6 -9 4261.36 782.803 22 3 -6 9 3925.77 570.338 41 3 -6 10 981.766 493.315 21 -3 6 -10 679.301 181.045 35 3 -6 10 689.451 263.779 48 -3 6 -10 713.457 212.871 30 3 -6 10 429.974 370.817 17 3 -6 10 617.027 258.839 41 -3 6 -10 573.845 338.032 22 3 -6 10 560.684 182.341 39 3 -6 11 5799.03 691.489 41 -3 6 -11 5901.04 567.683 30 3 -6 11 5053.53 1061.57 17 -3 6 -11 5955.14 522.698 35 3 -6 11 6010.37 704.498 48 -3 6 -11 5874.28 921.202 22 3 -6 11 5638.18 1229.85 21 3 -6 12 14305.8 1074.78 41 -3 6 -12 13457.6 846.986 30 -3 6 -12 15289.5 844.097 35 3 -6 12 11845.2 1597.48 17 3 -6 12 14622.8 1072.05 48 -3 6 -12 14219.6 1424.39 22 3 -6 12 15216.8 1923.72 21 -3 6 -13 6511.22 562.009 30 3 -6 13 7622.83 722.500 48 3 -6 13 6854.54 1220.59 21 -3 6 -13 7009.47 964.849 22 -3 6 -13 8103.99 592.707 35 3 -6 13 7126.50 729.812 41 -3 6 -14 1407.78 233.086 35 -3 6 -14 1144.04 225.438 30 3 -6 14 1520.76 302.854 48 3 -6 14 1559.22 323.387 41 3 -6 15 24422.0 1134.68 48 -3 6 -15 22845.9 955.097 35 3 -6 15 22677.5 1179.08 41 -3 6 -16 2547.85 278.285 35 3 -6 16 2708.00 321.017 48 3 -6 16 2715.24 365.696 41 -3 5 20 929.797 191.477 37 3 -5 -20 817.864 164.481 31 -3 5 20 1103.49 212.145 42 3 -5 -20 818.585 146.365 47 -3 5 19 777.252 187.530 37 3 -5 -19 696.079 164.500 31 3 -5 -19 721.135 150.002 47 -3 5 19 882.804 222.998 42 3 -5 -18 9282.08 659.983 31 3 -5 -18 8849.99 653.105 28 3 -5 -18 9214.81 618.620 47 -3 5 18 10058.6 750.628 37 -3 5 18 11410.3 866.339 42 -3 5 17 2976.54 427.814 37 3 -5 -17 3044.24 395.849 31 3 -5 -17 2832.19 390.778 28 3 -5 -17 2753.76 363.060 47 -3 5 17 3406.67 492.892 42 -3 5 16 1148.47 283.186 37 -3 5 16 1376.15 560.559 20 3 -5 -16 1259.42 263.251 31 3 -5 -16 1262.68 278.549 28 -3 5 16 1283.91 534.044 23 3 -5 -16 1134.93 250.510 47 -3 5 16 1373.16 331.433 42 -3 5 15 2895.67 451.743 37 -3 5 15 3052.10 877.670 20 -3 5 15 2474.03 678.265 23 3 -5 -15 3045.72 430.311 31 3 -5 -15 3022.46 416.660 47 3 -5 -15 2886.37 433.899 28 -3 5 15 3327.73 529.949 42 3 -5 -14 1462.61 296.007 47 -3 5 14 1684.26 651.962 20 -3 5 14 1957.74 395.080 42 3 -5 -14 1174.34 283.577 31 -3 5 14 1497.46 325.852 37 3 -5 -14 1541.74 301.713 28 -3 5 14 1851.30 631.550 23 3 -5 -13-72.1217 84.0473 47 -3 5 13-15.3807 106.757 37 -3 5 13 232.043 275.831 20 3 -5 -13 1.10382 88.2655 31 3 -5 -13 0.37492 81.3470 28 -3 5 13-113.275 236.051 23 -3 5 13-22.5457 113.969 42 3 -5 -13 95.1530 85.4546 40 3 -5 -12 200.133 125.851 40 3 -5 -12 103.658 102.885 31 3 -5 -12 124.595 117.272 28 3 -5 -12 226.632 139.562 47 -3 5 12 279.281 176.629 37 -3 5 12 393.593 344.750 23 -3 5 12 66.3051 286.575 20 -3 5 12 417.856 207.121 42 -3 5 11 206.082 133.286 37 -3 5 11 531.000 309.547 20 -3 5 11 156.619 324.889 5 3 -5 -11 202.861 128.058 47 3 -5 -11 228.252 121.948 31 3 -5 -11 475.992 209.966 28 -3 5 11 41.2134 199.182 23 -3 5 11 382.421 187.964 42 3 -5 -11 320.412 153.487 40 -3 5 10 22036.5 2321.18 5 -3 5 10 27542.0 2554.52 20 -3 5 10 19129.9 1120.71 37 3 -5 -10 19920.5 1127.54 31 3 -5 -10 22455.9 1228.90 47 3 -5 -10 23027.4 1273.25 28 3 -5 -10 25176.7 1988.61 16 -3 5 10 27835.6 2463.27 23 -3 5 10 26097.3 1459.59 42 -3 5 9 18837.7 2091.84 5 -3 5 9 26097.3 2398.23 20 3 -5 -9 20304.7 1154.88 47 -3 5 9 17826.8 1039.33 37 3 -5 -9 18061.4 1048.09 31 3 -5 -9 21601.5 1190.14 28 3 -5 -9 24005.7 1981.75 16 -3 5 9 25582.6 2309.79 23 -3 5 9 18890.9 1683.58 22 -3 5 9 23468.9 1336.18 42 3 -5 -8 1623.86 507.974 16 3 -5 -8 1588.34 313.168 47 -3 5 8 1498.88 482.797 22 -3 5 8 1485.82 280.313 37 -3 5 8 1821.42 357.619 42 -3 5 8 2174.59 674.275 23 3 -5 -8 1741.39 318.895 28 -3 5 8 1856.16 620.835 20 -3 5 8 1619.90 635.765 5 -3 5 7 1838.06 627.033 20 -3 5 7 1593.26 611.383 5 -3 5 7 1708.90 510.723 22 3 -5 -7 1475.05 290.875 32 3 -5 -7 1666.45 302.093 28 3 -5 -7 1712.77 324.714 47 3 -5 -7 1947.48 591.333 16 -3 5 7 1766.87 337.331 42 -3 5 7 1802.42 584.533 23 -3 5 6 3761.76 822.504 20 3 -5 -6 3021.87 411.761 47 -3 5 6 3362.69 822.962 5 -3 5 6 2569.03 585.250 22 3 -5 -6 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1651.23 522.417 16 -3 5 -3 1285.26 218.551 35 -3 5 -3 1531.29 459.439 23 3 -5 3 1642.03 589.211 21 -3 5 -3 1301.57 419.763 20 -3 5 -3 1589.49 275.431 30 3 -5 3 1831.99 703.520 2 3 -5 3 1603.01 333.931 48 3 -5 4 709.829 231.942 39 3 -5 4 407.547 366.645 21 -3 5 -4 621.521 323.740 20 3 -5 4 316.496 235.217 16 -3 5 -4 677.677 160.798 35 -3 5 -4 914.667 220.853 30 3 -5 4 544.659 445.471 2 -3 5 -4 699.650 322.296 22 -3 5 -4 937.946 385.630 23 3 -5 4 814.483 402.023 17 3 -5 4 722.833 232.312 48 3 -5 5 1259.20 310.318 39 -3 5 -5 1262.72 407.637 20 -3 5 -5 1040.54 202.809 35 -3 5 -5 1125.34 363.797 23 -3 5 -5 1419.10 256.763 30 3 -5 5 930.842 421.533 17 3 -5 5 1089.79 432.522 16 3 -5 5 1301.39 321.990 48 -3 5 -5 1282.81 392.575 22 -3 5 -5 891.399 434.412 4 3 -5 5 998.880 495.288 2 3 -5 5 952.044 392.859 21 3 -5 6 22836.6 1379.16 48 -3 5 -6 14703.2 1590.33 4 -3 5 -6 22777.4 982.972 35 3 -5 6 19729.5 1175.98 39 -3 5 -6 19924.8 1305.34 18 -3 5 -6 22483.3 1068.50 30 3 -5 6 20527.2 2383.36 2 3 -5 6 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3 -4 -17 1356.77 266.680 47 -3 4 16 7641.22 789.480 37 -3 4 16 6701.77 1292.02 20 3 -4 -16 5379.72 585.671 31 3 -4 -16 5938.30 595.098 28 -3 4 16 7368.09 1273.65 23 -3 4 16 7239.81 804.811 42 3 -4 -16 6134.33 577.859 47 -3 4 15 15314.2 1146.67 37 -3 4 15 15535.0 2033.58 20 3 -4 -15 13478.9 885.560 47 3 -4 -15 13754.0 944.018 31 3 -4 -15 12639.0 1560.21 19 3 -4 -15 14019.6 952.864 28 -3 4 15 14685.6 1823.76 23 -3 4 14 2409.05 448.270 37 -3 4 14 2628.18 832.299 20 3 -4 -14 2094.87 639.071 19 3 -4 -14 2123.45 362.995 47 3 -4 -14 1929.82 351.391 31 3 -4 -14 1837.69 339.670 28 -3 4 14 2649.35 794.816 23 3 -4 -13 95.1938 90.1154 47 -3 4 13 194.303 151.464 37 -3 4 13 86.4200 189.560 20 -3 4 13 104.953 190.150 5 3 -4 -13-91.2490 239.355 19 3 -4 -13 119.656 84.4852 31 3 -4 -13 260.441 143.303 28 -3 4 13 17.4155 249.161 23 -3 4 12 3503.10 512.187 37 -3 4 12 4217.54 972.198 20 -3 4 12 3517.27 952.929 5 3 -4 -12 2499.42 699.785 19 3 -4 -12 3273.57 452.474 31 3 -4 -12 3678.79 461.350 47 3 -4 -12 3676.08 502.788 28 -3 4 12 3431.34 875.148 23 -3 4 11 61.2135 65.4901 37 -3 4 11 334.079 238.051 20 -3 4 11-74.7383 237.896 5 3 -4 -11-73.1567 192.859 19 3 -4 -11 162.963 126.019 31 3 -4 -11 117.327 125.352 47 3 -4 -11 67.8698 101.060 28 -3 4 11-40.3665 181.599 23 3 -4 -10 4645.29 792.208 16 -3 4 10 4080.40 516.313 37 -3 4 10 4494.97 1044.02 5 3 -4 -10 4297.19 501.422 47 3 -4 -10 3730.03 460.349 31 -3 4 10 5752.86 1092.59 20 3 -4 -10 4121.61 851.428 19 3 -4 -10 4505.92 523.256 28 -3 4 10 4260.04 899.657 23 -3 4 9 15790.9 1820.05 5 -3 4 9 15032.5 963.340 37 -3 4 9 20859.5 2044.74 20 3 -4 -9 13734.5 885.616 31 3 -4 -9 17094.7 994.506 47 3 -4 -9 16565.1 995.281 28 3 -4 -9 16839.3 1709.99 19 -3 4 9 18772.6 1880.15 23 -3 4 9 19885.1 1200.91 42 3 -4 -9 17058.4 1593.61 16 3 -4 -8 564.948 314.365 16 3 -4 -8 60.7402 125.775 19 -3 4 8 573.594 328.692 20 -3 4 8 258.316 261.729 5 3 -4 -8 379.513 159.378 28 3 -4 -8 385.573 154.751 47 -3 4 8 289.683 257.561 23 -3 4 8 178.753 171.880 22 -3 4 8 453.459 178.914 42 -3 4 7 9676.11 1316.42 20 -3 4 7 6756.21 899.651 22 3 -4 -7 7733.72 629.237 28 3 -4 -7 7259.74 1029.15 19 -3 4 7 7118.25 1160.67 5 -3 4 7 8980.42 1226.15 23 3 -4 -7 7738.96 1120.23 16 -3 4 6 440.172 275.672 20 -3 4 6 329.324 318.923 5 3 -4 -6 293.525 186.774 19 -3 4 6 392.533 258.168 22 3 -4 -6 369.147 129.778 28 -3 4 6 496.086 194.180 7 3 -4 -6 444.006 265.840 16 -3 4 6 341.548 254.903 23 -3 4 5 14633.3 1583.78 5 -3 4 5 14444.3 1459.80 23 3 -4 -5 14244.9 1501.73 16 -3 4 5 16685.8 1582.84 20 3 -4 -5 12777.0 743.237 28 -3 4 5 12977.6 1204.24 22 -3 4 5 14537.4 1458.47 7 -3 4 4 2108.00 450.316 22 -3 4 4 2659.41 686.844 5 3 -4 -4 2092.14 276.015 28 3 -4 -4 2110.95 469.704 17 -3 4 4 2684.68 616.333 23 3 -4 -4 2924.49 683.400 16 -3 4 4 3077.81 669.279 20 -3 4 3 19094.8 1601.20 20 -3 4 3 16918.0 1485.03 23 3 -4 -3 16303.2 1391.67 17 3 -4 -3 14739.7 720.249 28 3 -4 -3 18416.3 1748.64 16 -3 4 3 16254.3 1269.18 22 -3 4 3 18570.0 1716.99 5 3 -4 -2 215.544 193.278 21 -3 4 2 340.844 295.438 5 3 -4 -2 199.568 216.144 3 -3 4 2 332.641 257.159 23 -3 4 2 233.584 197.497 22 3 -4 -2 180.934 77.4177 28 -3 4 2 384.817 246.570 20 3 -4 -2 224.170 237.726 17 3 -4 -2 217.520 231.702 16 3 -4 -1 2310.58 522.932 21 -3 4 1 2705.35 574.375 4 -3 4 1 2614.36 499.443 22 3 -4 -1 2457.06 596.999 17 3 -4 -1 4949.97 943.048 16 -3 4 1 4011.33 706.645 23 3 -4 -1 6208.36 1108.05 2 -3 4 1 3218.97 788.570 20 -3 4 1 3954.82 781.241 5 -3 4 0 27348.8 1842.07 20 -3 4 0 28509.0 1843.73 23 -3 4 0 26313.2 1694.31 4 3 -4 0 27109.5 2002.76 17 3 -4 0 32831.0 2464.13 2 3 -4 0 31424.9 2251.22 16 3 -4 0 26039.3 1830.63 21 -3 4 0 27226.6 1605.17 22 -3 4 0 29062.4 2084.71 5 -3 4 -1 6909.70 919.489 20 -3 4 -1 6980.28 870.179 4 3 -4 1 7994.85 1119.23 16 3 -4 1 6609.94 1004.20 17 3 -4 1 8455.27 1233.02 2 -3 4 -1 7386.39 914.226 23 -3 4 -1 7271.12 800.015 22 3 -4 1 6919.95 980.739 21 -3 4 -2 9128.48 1045.80 20 -3 4 -2 7536.17 921.777 4 3 -4 2 8631.35 1150.05 17 3 -4 2 10203.9 1389.81 2 3 -4 2 9150.17 1182.55 16 3 -4 2 7857.74 1091.09 21 -3 4 -2 8471.99 981.093 23 -3 4 -2 8748.94 889.343 22 -3 4 -3 62505.2 2107.33 18 -3 4 -3 60119.3 2902.28 4 3 -4 3 73182.5 3851.45 2 -3 4 -3 70270.6 2963.69 23 3 -4 3 68959.5 3499.60 17 -3 4 -3 64468.4 2882.26 20 3 -4 3 66456.7 3273.25 16 -3 4 -3 69408.1 2688.07 22 3 -4 3 68061.0 3442.82 21 3 -4 4 3113.49 749.356 21 -3 4 -4 3572.96 670.633 20 -3 4 -4 3087.65 432.776 18 3 -4 4 2897.66 757.868 2 -3 4 -4 2917.99 641.320 4 -3 4 -4 3755.13 656.436 23 3 -4 4 3081.28 643.449 16 -3 4 -4 3884.36 598.538 22 3 -4 4 3291.00 756.055 17 -3 4 -5 9793.21 1131.08 20 -3 4 -5 9972.34 821.039 18 3 -4 5 9783.46 1444.15 2 -3 4 -5 8134.87 1124.12 4 3 -4 5 9114.01 1289.27 17 -3 4 -5 10032.1 1106.09 23 3 -4 5 9404.40 1143.74 16 -3 4 -5 10538.8 1039.96 22 3 -4 5 11063.3 1434.00 21 -3 4 -6 14480.6 1358.74 23 3 -4 6 13067.6 1711.56 2 -3 4 -6 14977.1 1267.86 22 3 -4 6 14254.9 998.554 48 -3 4 -6 14194.6 792.762 30 -3 4 -6 12411.2 1453.99 4 -3 4 -6 13269.0 1346.65 20 3 -4 6 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9314.24 783.628 42 -5 4 6 7594.92 1341.29 5 5 -4 -5 4929.27 549.367 39 -5 4 5 6076.06 1053.85 20 -5 4 5 4289.96 480.460 37 5 -4 -5 5066.83 598.896 32 -5 4 5 4890.34 518.286 30 5 -4 -5 5416.22 1065.25 16 -5 4 5 5274.04 917.510 23 5 -4 -5 4407.00 489.500 47 -5 4 5 5430.45 575.055 46 5 -4 -5 4665.63 572.011 43 -5 4 5 5369.52 1121.86 5 5 -4 -4 2773.25 420.379 39 -5 4 4 2099.45 333.365 37 -5 4 4 2721.50 700.466 20 -5 4 4 2555.07 772.589 5 5 -4 -4 2514.63 426.131 32 -5 4 4 2633.25 367.945 30 5 -4 -4 2211.35 566.918 17 -5 4 4 2468.08 624.595 23 5 -4 -4 2458.28 731.988 16 -5 4 4 2651.98 391.575 46 5 -4 -4 2635.41 429.196 43 5 -4 -3 1908.90 354.917 39 -5 4 3 1495.16 266.496 37 -5 4 3 1991.57 590.691 20 -5 4 3 1852.59 669.045 5 5 -4 -3 1722.63 343.055 32 -5 4 3 1882.48 299.630 30 5 -4 -3 1948.58 586.299 17 5 -4 -3 2336.98 695.068 16 -5 4 3 1982.01 330.767 46 5 -4 -3 1638.87 332.237 43 -5 4 3 2307.61 603.690 23 5 -4 -2 3104.21 527.725 39 5 -4 -2 2503.54 712.492 17 -5 4 2 1487.99 597.873 23 -5 4 2 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25178.3 1432.60 42 -5 3 10 10602.4 1631.58 5 -5 3 10 12778.2 1625.78 20 -5 3 10 11120.9 906.075 37 5 -3 -10 12122.9 1449.40 19 -5 3 10 10618.9 1305.32 23 5 -3 -10 11314.8 828.753 28 5 -3 -10 10115.1 1279.44 16 5 -3 -10 11698.5 849.739 47 5 -3 -10 11996.1 854.367 43 -5 3 10 12622.9 976.919 42 -5 3 9 5505.52 1175.46 5 -5 3 9 6064.64 1106.32 20 -5 3 9 6183.93 655.458 37 5 -3 -9 6738.16 1050.72 19 5 -3 -9 5972.28 564.647 32 5 -3 -9 6421.18 610.447 28 5 -3 -9 6245.28 1052.10 16 -5 3 9 6507.91 1023.50 23 5 -3 -9 6596.99 632.893 47 5 -3 -9 7355.50 665.617 43 -5 3 9 7659.80 742.046 42 -5 3 8 98.4497 112.304 7 -5 3 8 374.890 169.004 37 -5 3 8 618.189 355.698 20 -5 3 8 334.870 239.017 5 5 -3 -8 314.793 178.868 19 5 -3 -8 390.402 147.175 32 -5 3 8 288.279 239.122 23 5 -3 -8 315.771 148.800 28 5 -3 -8 491.668 176.496 47 5 -3 -8 872.143 368.483 16 -5 3 8 483.250 185.597 46 5 -3 -8 401.949 166.405 43 -5 3 8 520.993 209.570 42 -5 3 7 1618.68 538.368 7 -5 3 7 1934.55 346.221 37 -5 3 7 2555.41 706.264 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40454.3 1783.80 18 -5 -4 9 37611.8 3040.34 7 -5 -4 9 31306.0 2598.66 2 -5 -4 9 32373.0 1561.56 41 5 4 -8 89505.7 4165.55 3 5 4 -8 103992. 3356.84 8 5 4 -8 104509. 2905.85 18 -5 -4 8 101815. 4803.59 7 -5 -4 8 79452.4 3980.13 2 -5 -4 8 81612.0 2588.65 41 5 4 -7 31642.0 2305.66 3 5 4 -7 9368.51 1217.20 19 5 4 -7 39771.5 1894.25 8 5 4 -7 39743.5 1562.67 18 -5 -4 7 34581.3 2594.98 7 5 4 -7 42204.6 2113.75 14 5 4 -6 23477.6 1914.49 3 5 4 -6 26433.6 1926.15 19 5 4 -6 25292.6 1508.59 8 5 4 -6 23921.7 1204.79 18 -5 -4 6 22461.2 2026.81 7 5 4 -6 23617.3 1113.53 27 5 4 -6 29066.6 1678.83 14 5 4 -5 536.948 256.389 19 5 4 -5 305.743 206.204 3 5 4 -5 492.418 177.862 8 5 4 -5 446.604 164.336 18 5 4 -5 526.139 150.568 27 -5 -4 5 444.085 204.720 7 5 4 -5 344.800 144.943 14 5 4 -4 2836.79 590.515 19 5 4 -4 2368.26 401.862 8 5 4 -4 1695.74 480.862 3 5 4 -4 1978.54 318.658 18 5 4 -4 3641.13 374.769 27 -5 -4 4 2130.81 551.598 7 -5 -4 4 1793.73 364.099 6 5 4 -4 2818.07 486.622 14 5 4 -3 6445.69 734.620 10 5 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10147.9 988.072 9 5 5 3 10821.9 885.313 8 -5 -5 -3 11835.5 1089.40 6 5 5 4 52963.8 2054.71 8 -5 -5 -4 61386.6 2594.15 6 5 5 5 970.903 306.552 8 -5 -5 -5 2249.64 503.836 6 5 5 6 27658.4 1482.24 8 -5 -5 -6 35074.6 1994.81 6 -5 -5 -7 4172.41 689.339 6 5 5 8 4961.26 697.390 1 -5 -5 -8 3996.79 699.899 6 5 5 9 750.382 323.692 13 5 5 9 872.003 289.813 1 -5 -5 -9 760.811 229.335 50 -5 -5 -9 801.643 199.971 49 -5 -5 -9 896.647 324.998 6 -5 -5 -10 13741.2 976.230 50 -5 -5 -10 13642.6 856.146 49 -5 -5 -10 13963.3 1361.71 6 5 5 10 16970.9 1480.88 13 5 5 11 4225.58 816.919 12 -5 -5 -11 5640.79 640.326 50 -5 -5 -11 4447.01 495.305 49 -5 -5 -11 4902.91 807.029 6 5 5 12 16314.9 1708.99 12 5 5 12 20167.9 1675.23 24 -5 -5 -12 19987.9 1052.01 29 -5 -5 -12 20578.7 1267.99 50 -5 -5 -12 18052.2 1038.11 49 5 5 13 5301.79 1007.21 12 -5 -5 -13 6813.79 617.821 29 -5 -5 -13 6574.16 729.772 50 -5 -5 -13 6267.97 594.436 49 5 5 14 3310.86 836.071 12 -5 -5 -14 3959.45 500.107 29 -5 -5 -14 5251.37 648.838 50 -5 -5 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1210.41 151.737 47 -7 -2 18 2585.34 369.264 34 7 2 -18 2450.60 291.157 31 7 2 -18 2008.97 235.817 47 -7 -2 17 194.011 87.2879 37 -7 -2 17 174.138 99.5255 34 7 2 -17 64.6686 53.7309 31 7 2 -17 131.371 70.3156 47 -7 -2 16 3955.69 451.135 37 -7 -2 16 5319.27 614.819 34 7 2 -16 4956.43 478.291 31 7 2 -16 4720.17 455.019 47 -7 -2 15 2455.94 376.490 37 -7 -2 15 3090.37 477.728 34 7 2 -15 2833.22 676.461 19 7 2 -15 3505.52 406.556 31 7 2 -15 3410.71 406.225 47 -7 -2 14 4491.05 550.394 37 -7 -2 14 5249.07 666.723 34 7 2 -14 5225.84 940.888 19 7 2 -14 6153.35 558.101 31 7 2 -14 5908.61 563.284 47 -7 -2 13 538.108 190.686 37 7 2 -13 684.585 330.366 19 -7 -2 13 577.578 223.115 34 7 2 -13 518.043 172.857 31 7 2 -13 919.032 249.925 47 -7 -2 13 380.933 171.647 41 -7 -2 12 13553.4 998.077 37 7 2 -12 19897.6 1930.88 19 -7 -2 12 13998.5 1091.33 34 7 2 -12 16712.2 947.825 31 7 2 -12 18709.3 1073.63 47 -7 -2 12 14512.9 1021.07 41 -7 -2 11 8071.69 763.724 37 -7 -2 11 8953.93 858.704 34 7 2 -11 8132.40 736.257 47 -7 -2 11 7586.26 743.344 41 -7 -2 10 5822.24 642.093 37 7 2 -10 10351.3 1424.01 19 -7 -2 10 6859.22 739.809 34 7 2 -10 5625.16 915.011 8 7 2 -10 7949.56 643.084 31 7 2 -10 5391.91 1165.39 3 7 2 -10 1053.06 2389.30 26 -7 -2 10 7147.99 1434.69 7 7 2 -10 2405.14 498.284 47 -7 -2 10 5521.53 626.113 41 7 2 -9 64345.2 4083.51 3 -7 -2 9 63904.7 2302.90 37 -7 -2 9 61669.0 2372.53 34 7 2 -9 58830.6 2999.53 8 -7 -2 9 59812.6 4151.33 7 -7 -2 9 62426.1 2277.48 41 -7 -2 8 373.991 153.344 37 -7 -2 8 553.082 198.320 34 7 2 -8 608.627 379.019 19 7 2 -8 232.443 281.536 3 7 2 -8 543.974 164.170 31 7 2 -8 423.081 246.126 8 7 2 -8 471.507 410.840 27 -7 -2 8 397.972 362.834 7 -7 -2 8 433.429 188.895 41 7 2 -7 34.1478 245.438 27 -7 -2 7 214.294 123.642 37 -7 -2 7 141.805 127.411 34 7 2 -7-94.2643 213.352 19 7 2 -7 165.042 311.968 3 7 2 -7 71.3723 162.020 8 -7 -2 7 90.9720 278.997 7 -7 -2 7 80.2365 90.3398 41 -7 -2 6 921.254 237.551 37 -7 -2 6 1035.25 249.338 34 7 2 -6 120.370 272.653 19 7 2 -6 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21023.4 1181.67 29 8 -1 5 22489.3 2225.17 17 8 -1 5 20059.9 2080.94 16 8 -1 5 19313.6 1943.49 13 -8 1 -6 36456.0 1645.13 36 8 -1 6 30546.2 1380.88 32 -8 1 -6 33661.1 1457.95 30 -8 1 -6 29853.7 1427.17 29 8 -1 6 32899.9 2702.82 17 8 -1 6 30716.4 2490.56 13 8 -1 6 35376.2 2828.97 21 8 -1 7 22779.0 1303.98 39 -8 1 -7 21840.1 1267.62 36 -8 1 -7 20453.4 1150.80 30 -8 1 -7 20901.3 1170.99 29 8 -1 7 21457.3 2146.27 17 8 -1 7 22241.3 2205.89 21 8 -1 8 1888.09 361.574 39 8 -1 8 1563.91 598.368 21 -8 1 -8 2387.67 415.374 36 -8 1 -8 1987.38 345.454 30 -8 1 -8 1843.94 347.127 29 8 -1 8 2131.95 688.847 17 8 -1 9 238.331 149.600 39 8 -1 9 242.186 272.666 21 -8 1 -9 326.572 195.116 36 -8 1 -9 329.379 165.906 30 -8 1 -9 348.953 141.891 29 8 -1 9 342.869 249.892 17 -8 1 -10 5434.24 612.468 36 -8 1 -10 5590.61 587.400 30 -8 1 -10 6212.04 598.971 29 8 -1 10 4663.14 964.780 17 8 -1 10 6362.03 1186.88 21 8 -1 11 1207.90 509.490 21 -8 1 -11 911.700 257.146 36 -8 1 -11 1575.45 307.272 30 -8 1 -11 1626.70 307.160 29 8 -1 12 1986.03 624.855 21 -8 1 -12 2020.86 344.457 30 -8 1 -12 2121.27 331.462 29 8 -1 12 1721.21 527.897 24 8 -1 12 2536.48 392.745 48 -8 1 -13 21.2400 67.8430 30 -8 1 -13 305.314 128.302 29 8 -1 13 269.548 134.057 48 -8 1 -14 3971.71 436.977 30 -8 1 -14 3885.06 401.260 29 8 -1 14 4376.23 461.060 48 -8 1 -15 560.210 144.875 29 8 -1 15 436.912 133.358 48 -8 1 -16 3143.03 294.746 29 8 -1 16 3057.43 299.575 48 8 -1 16 3288.39 381.309 41 -8 0 17 550.273 134.250 37 8 0 -17 461.488 116.800 47 -8 0 16 1946.54 295.751 37 -8 0 16 1684.64 271.898 34 8 0 -16 1619.00 231.627 47 -8 0 15 455.728 165.722 37 -8 0 15 434.524 160.378 34 8 0 -15 487.718 141.641 47 -8 0 14 1096.30 269.057 37 -8 0 14 550.772 193.151 34 8 0 -14 756.962 173.335 28 8 0 -14 891.628 199.346 47 -8 0 13 2039.53 378.359 37 -8 0 13 2006.63 362.917 34 8 0 -13 1853.59 299.616 28 8 0 -13 2275.94 335.594 47 8 0 -13 1683.28 264.136 43 -8 0 12 2634.21 425.970 37 -8 0 12 2479.75 397.895 34 8 0 -12 2255.38 552.719 19 8 0 -12 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5233.71 561.041 51 -8 -6 -6 4038.04 537.799 50 -8 -6 -6 3330.51 780.192 6 8 6 6 4979.48 876.915 14 -8 -6 -7 1847.12 325.254 51 -8 -6 -7 2330.23 394.175 38 -8 -6 -7 1704.61 330.646 29 -8 -6 -7 2128.27 404.917 50 8 6 7 2477.40 635.099 14 -8 -6 -8 22.0985 157.877 38 -8 -6 -8 30.9767 69.8019 29 -8 -6 -8 55.4501 108.561 51 -8 -6 -8 54.6786 78.5717 50 8 6 8 53.5216 140.592 15 8 6 9 249.279 348.970 13 -8 -6 -9 528.422 251.340 38 -8 -6 -9 347.221 148.877 29 -8 -6 -9 325.098 173.568 51 -8 -6 -9 220.759 111.190 50 -8 -6 -10 603.766 283.226 38 -8 -6 -10 287.137 127.874 29 -8 -6 -10 152.999 119.381 51 -8 -6 -10 198.798 142.136 50 -8 -6 -11 12442.5 899.061 38 -8 -6 -11 12741.4 844.745 29 -8 -6 -11 12613.7 980.741 50 -8 -6 -12 12604.8 844.549 38 -8 -6 -12 12534.5 837.017 29 -8 -6 -12 11577.7 935.593 50 -8 -6 -13 6335.83 596.303 38 -8 -6 -13 6589.20 576.355 29 -8 -6 -13 6685.11 681.217 50 -8 -6 -14 14800.9 845.132 29 -8 -6 -14 13897.4 960.546 50 -8 -6 -15 3689.61 395.690 29 -8 -6 -15 3818.17 481.933 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686.266 189.363 48 -9 1 -13 2599.76 279.121 29 9 -1 13 3055.01 358.157 48 -9 0 15 1474.73 232.120 37 -9 0 15 1243.90 202.056 33 9 0 -15 1408.87 193.282 47 -9 0 14 92.6403 76.5790 37 -9 0 14 10.6297 49.1988 33 9 0 -14 122.115 83.0868 47 -9 0 13 3701.45 430.722 37 -9 0 13 3548.01 392.844 33 9 0 -13 3339.82 351.246 47 -9 0 12 11405.4 772.436 33 9 0 -12 11446.1 699.541 47 9 0 -12 9935.45 639.153 43 -9 0 11 2756.45 410.462 37 -9 0 11 2326.38 366.143 33 9 0 -11 2485.77 320.956 32 9 0 -11 2520.62 341.900 47 9 0 -11 2171.26 317.245 43 -9 0 10 2568.75 407.219 37 -9 0 10 2535.69 382.724 33 9 0 -10 2771.05 374.528 47 9 0 -10 2942.80 392.843 43 -9 0 9 44.9803 88.8492 37 -9 0 9 53.1403 88.4633 33 9 0 -9 31.7891 64.3477 47 9 0 -9 43.2644 75.4756 43 -9 0 8 22270.9 1276.93 37 -9 0 8 20392.2 1154.44 33 9 0 -8 18784.0 1025.07 47 9 0 -8 22108.6 1208.87 43 -9 0 7 644.715 239.342 37 -9 0 7 553.123 195.530 33 9 0 -7 565.910 178.379 47 9 0 -7-159.671 292.880 16 9 0 -7 613.913 230.704 43 -9 0 6 755.402 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0 4 3046.84 795.650 17 9 0 4 1936.56 687.925 16 9 0 4 2517.30 733.729 15 9 0 5 9300.00 1379.47 21 -9 0 -5 10541.2 854.766 36 9 0 5 8866.05 736.421 32 -9 0 -5 9368.38 788.495 29 9 0 5 8770.71 1371.25 17 9 0 5 6894.66 1191.34 16 9 0 5 8353.00 1299.48 15 9 0 6 1910.90 627.959 21 -9 0 -6 2310.15 388.529 36 9 0 6 1691.10 306.591 32 -9 0 -6 1808.38 354.690 29 9 0 6 1618.95 589.649 17 9 0 7 2276.70 695.843 21 -9 0 -7 3365.04 486.148 36 -9 0 -7 2663.00 380.623 30 -9 0 -7 2806.11 420.070 29 9 0 7 2953.01 783.858 17 9 0 8 2225.26 369.593 39 9 0 8 2347.32 677.964 21 -9 0 -8 2616.17 432.864 36 -9 0 -8 2061.52 341.841 30 -9 0 -8 2605.03 396.877 29 9 0 8 1554.31 559.663 17 9 0 9 1365.75 262.524 39 9 0 9 1131.27 458.916 21 -9 0 -9 1643.07 323.264 36 -9 0 -9 1421.23 284.151 30 -9 0 -9 1388.36 288.371 29 9 0 9 1171.47 443.758 17 -9 0 -10 13290.6 912.953 36 -9 0 -10 10978.2 771.672 30 -9 0 -10 12471.4 843.850 29 9 0 10 12444.6 1568.11 21 -9 0 -11 12434.4 808.333 30 -9 0 -11 14045.9 865.006 29 -9 0 -12 1149.44 232.844 30 -9 0 -12 1312.53 256.041 29 -9 0 -13 7683.36 573.364 29 9 0 13 8219.89 627.508 48 -9 0 -14 6201.70 478.852 29 9 0 14 5907.43 486.472 48 -9 0 -15 1853.80 239.414 29 9 0 15 1757.33 229.477 48 -9 -1 15 58.4911 72.7837 37 -9 -1 15 41.6028 84.8307 33 9 1 -15 50.0672 50.6994 47 -9 -1 14 1356.21 243.260 37 9 1 -14 1348.80 230.592 47 -9 -1 13 14309.4 874.671 37 9 1 -13 15509.4 801.070 47 9 1 -13 12889.4 683.361 43 -9 -1 12 15871.7 969.314 37 9 1 -12 12269.6 747.193 28 9 1 -12 16702.2 881.477 47 9 1 -12 13354.9 766.646 43 -9 -1 11 1985.99 350.176 37 9 1 -11 1686.75 277.656 28 9 1 -11 2158.55 324.350 47 9 1 -11 1740.91 283.327 43 -9 -1 10 7800.27 715.943 37 9 1 -10 7803.22 635.710 47 9 1 -10 8286.81 675.970 43 -9 -1 9 812.037 255.874 37 9 1 -9 812.560 198.031 47 9 1 -9 742.281 228.933 43 -9 -1 8 1389.53 314.572 37 -9 -1 8 957.391 252.410 33 9 1 -8 968.519 256.148 47 9 1 -8 509.679 408.650 16 9 1 -8 1501.55 325.622 43 -9 -1 7 1903.65 365.851 37 -9 -1 7 2343.48 397.487 33 9 1 -7 1954.42 323.688 47 9 1 -7 2055.33 753.957 16 -9 -1 6 31.3435 99.6965 37 -9 -1 6 120.986 132.559 33 9 1 -6 339.208 1706.83 26 9 1 -6 236.984 251.567 17 9 1 -6 299.835 177.146 47 9 1 -6-323.616 562.264 16 -9 -1 5 2141.66 413.093 37 -9 -1 5 2324.56 404.940 33 9 1 -5 1827.49 507.341 17 9 1 -5 2128.74 353.510 47 9 1 -5 2356.40 862.083 16 -9 -1 4 7769.90 781.018 37 -9 -1 4 8168.73 757.298 33 9 1 -4 6172.92 994.271 17 9 1 -4 8159.81 658.511 47 9 1 -4 5423.88 1345.72 16 -9 -1 3 773.801 280.560 37 -9 -1 3 813.600 276.866 33 9 1 -3 964.506 1955.58 26 9 1 -3 831.066 413.146 17 9 1 -3 944.782 897.363 16 9 1 -3 279.794 180.249 15 -9 -1 2 894.923 275.296 37 -9 -1 2 1013.80 246.514 36 -9 -1 2 1026.24 286.805 33 9 1 -2 2768.86 2919.52 26 9 1 -2 768.833 407.244 17 9 1 -2 547.757 639.061 16 9 1 -2 632.436 366.657 15 -9 -1 1-25.3325 172.296 38 -9 -1 1 63.5802 137.260 37 -9 -1 1 199.813 141.989 36 -9 -1 1 252.165 266.206 33 9 1 -1 141.864 314.506 17 9 1 -1 11.4147 153.178 15 -9 -1 0 8988.00 721.763 38 -9 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1 5 1430.69 575.650 17 9 1 5 2462.36 776.141 16 9 1 5 1370.40 525.458 15 9 1 6 19234.6 2024.47 21 -9 -1 -6 20563.4 1224.20 36 -9 -1 -6 21520.7 1255.54 29 9 1 6 19836.2 2009.59 17 9 1 6 19531.3 2026.65 15 9 1 7 765.004 404.494 21 -9 -1 -7 319.981 181.261 36 -9 -1 -7 924.962 263.442 29 9 1 7 850.473 423.728 17 9 1 7 445.377 223.805 15 9 1 8 7504.15 1265.17 21 -9 -1 -8 7266.21 723.911 36 -9 -1 -8 8202.76 760.850 29 9 1 8 6169.98 1082.34 17 9 1 9 824.189 500.922 21 -9 -1 -9 687.104 233.766 36 -9 -1 -9 667.584 202.475 30 -9 -1 -9 528.405 202.331 29 9 1 9 505.766 290.003 17 9 1 10 517.433 348.708 21 -9 -1 -10 469.503 209.933 36 -9 -1 -10 599.439 201.800 30 -9 -1 -10 392.257 173.220 29 9 1 10 288.637 172.380 17 -9 -1 -11 5347.50 565.701 29 9 1 11 5341.27 1002.21 21 -9 -1 -12 3510.54 455.425 29 -9 -1 -13 1934.14 310.976 29 -9 -1 -14 434.686 155.668 29 9 1 14 344.895 122.587 48 -9 -1 -15 324.454 119.710 29 9 1 15 284.863 114.146 48 -9 -1 -16 317.059 110.537 29 9 2 -16 3592.48 298.642 47 -9 -2 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787.875 33 -9 -2 -2 5407.92 1235.01 7 9 2 2 8026.08 1239.95 17 9 2 2 6980.21 1161.16 15 -9 -2 -3 33.8653 195.252 38 -9 -2 -3 347.750 207.410 37 -9 -2 -3 124.608 100.693 36 -9 -2 -3 149.094 162.181 29 9 2 3 222.303 275.051 17 9 2 3 246.304 722.096 16 9 2 3-233.419 409.900 15 -9 -2 -4 7910.93 728.572 38 -9 -2 -4 7876.14 710.539 36 -9 -2 -4 9496.52 846.547 29 9 2 4 8711.03 1273.43 17 9 2 4 4963.84 2064.97 26 9 2 4 8100.97 1268.19 15 -9 -2 -5 1176.11 342.731 38 -9 -2 -5 1209.77 284.778 36 -9 -2 -5 1248.91 319.759 29 9 2 5 1211.78 1659.73 26 9 2 5 1051.68 491.383 17 9 2 5 181.778 512.793 16 9 2 5 1140.24 454.310 15 9 2 6 1955.33 672.486 13 -9 -2 -6 2303.64 442.510 38 -9 -2 -6 2214.40 390.751 36 -9 -2 -6 2834.11 459.332 29 9 2 6 2952.98 728.758 17 9 2 6 2303.81 713.083 15 -9 -2 -7 891.410 281.400 38 9 2 7 1175.04 542.407 21 -9 -2 -7 1185.13 287.588 36 -9 -2 -7 1166.63 325.396 29 9 2 7 453.880 282.263 17 9 2 7 930.571 473.451 15 9 2 8-237.292 247.900 21 -9 -2 -8 123.793 98.6458 36 -9 -2 -8 106.632 91.5533 29 9 2 8 47.5761 153.714 17 9 2 8 225.823 325.391 15 9 2 9 3776.55 877.691 21 -9 -2 -9 3788.40 503.905 36 -9 -2 -9 4714.45 596.906 29 9 2 9 3558.18 798.482 17 9 2 10 7892.31 1256.96 21 -9 -2 -10 10219.0 848.187 29 9 2 10 7260.15 1121.24 17 9 2 11 3185.50 752.536 21 -9 -2 -11 3653.24 490.305 29 9 2 12 102.894 214.572 21 -9 -2 -12 415.131 166.874 29 -9 -2 -13 1657.97 310.005 29 -9 -2 -14 18065.3 998.129 29 -9 -2 -15 1285.02 242.305 29 -9 -2 -16 1089.88 212.921 29 9 3 -16 5852.08 377.074 47 9 3 -15 5556.90 369.114 31 9 3 -15 6642.79 454.719 47 -9 -3 14 1867.02 327.299 34 9 3 -14 1559.47 208.294 31 9 3 -14 2026.16 264.559 47 -9 -3 13 115.611 99.1163 34 9 3 -13 175.510 90.3621 31 9 3 -13 160.313 122.426 47 -9 -3 13 55.5989 84.3525 41 -9 -3 12 517.748 192.356 34 9 3 -12 413.167 135.870 31 9 3 -12 891.609 224.734 47 9 3 -12 538.848 171.030 43 -9 -3 12 617.168 203.990 41 -9 -3 11 751.096 217.355 37 -9 -3 11 802.128 240.382 34 9 3 -11 995.091 248.908 47 -9 -3 11 627.789 220.390 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781.701 187.928 33 11 1 -8 486.344 123.772 32 11 1 -8 409.111 92.4217 47 11 1 -8 542.546 126.456 43 11 1 -7 938.234 164.899 39 -11 -1 7 1255.18 247.534 37 -11 -1 7 1404.57 242.888 33 11 1 -7 1358.82 229.551 32 11 1 -7 1403.10 235.703 43 -11 -1 6 1239.75 258.601 37 -11 -1 6 1389.45 258.015 33 11 1 -6 1034.07 206.667 32 11 1 -6 1136.00 220.520 43 -11 -1 5 449.458 169.127 37 -11 -1 5 526.251 158.511 33 11 1 -5 563.708 172.782 32 11 1 -5 437.482 149.722 43 -11 -1 4 7488.41 635.287 37 11 1 -4 7359.64 610.784 32 11 1 -4 6658.94 565.856 43 -11 -1 3 7557.52 676.439 37 11 1 -3 8697.07 673.451 32 -11 -1 3 7664.79 657.966 29 11 1 -3 7594.75 609.735 43 -11 -1 2 139.050 142.656 37 11 1 -2 157.996 108.962 32 -11 -1 2 89.7321 164.847 29 11 1 -2 0.83743 85.5402 43 11 1 -1 100.791 131.321 32 11 1 -1 50.0623 73.9460 43 11 1 0 22.6612 60.2719 32 11 1 0 158.982 90.0134 43 -11 -1 -1 6791.37 554.471 36 11 1 1 8179.11 652.147 32 -11 -1 -1 7462.06 636.529 29 11 1 1 6197.54 528.011 43 -11 -1 -2 100.245 66.3824 36 11 1 2 74.2264 101.264 32 -11 -1 -2 238.982 138.609 29 11 1 2 147.305 100.619 43 -11 -1 -3 326.058 126.788 36 11 1 3 327.092 107.566 32 -11 -1 -3 631.854 196.772 29 -11 -1 -4 3055.16 368.737 36 11 1 4 3538.19 381.083 32 -11 -1 -4 3991.18 452.204 29 11 1 5 3135.65 401.078 39 -11 -1 -5 2768.05 340.329 36 -11 -1 -5 3583.27 415.202 29 11 1 6 1977.96 300.084 39 -11 -1 -6 2344.47 324.856 29 11 1 7 25.5771 56.2417 39 -11 -1 -7 57.8730 80.0671 29 11 1 8 3466.72 345.606 39 -11 -1 -8 4671.92 420.355 29 -11 -1 -9 6882.93 494.806 29 -11 -1 -10 70.6066 52.5692 29 -11 -2 10 1.44779 55.0218 37 -11 -2 10 52.6778 64.6794 33 11 2 -10 1.57577 36.2896 32 11 2 -10 26.1268 45.9008 47 11 2 -10 91.9077 52.6444 43 -11 -2 9 352.353 131.191 37 -11 -2 9 554.459 161.423 33 11 2 -9 281.068 89.6388 32 11 2 -9 355.584 95.2005 47 11 2 -9 434.556 123.184 43 -11 -2 8 4855.38 471.395 37 -11 -2 8 5558.75 513.122 33 11 2 -8 4410.58 354.827 47 11 2 -8 4694.72 424.077 43 -11 -2 7 1149.02 241.079 37 -11 -2 7 1234.39 259.621 33 11 2 -7 808.826 147.078 47 11 2 -7 1278.61 244.273 43 -11 -2 6 233.493 112.571 37 -11 -2 6 242.646 151.925 33 11 2 -6 434.491 118.718 47 11 2 -6 351.344 138.003 43 -11 -2 5 9183.09 713.360 37 -11 -2 5 8958.59 715.067 33 11 2 -5 8733.95 668.315 43 -11 -2 4 13492.1 898.832 37 -11 -2 4 14909.9 940.883 33 11 2 -4 14230.5 872.914 43 -11 -2 3 4495.64 519.773 37 -11 -2 3 4206.00 519.174 33 11 2 -3 4048.58 478.791 43 -11 -2 2 622.813 223.728 37 -11 -2 2 750.195 255.034 29 11 2 -2 538.190 221.701 43 -11 -2 1 431.643 278.637 29 11 2 -1 365.769 149.851 43 -11 -2 0 6772.71 663.072 29 11 2 0 5618.83 546.500 43 -11 -2 -1 1556.75 383.320 29 11 2 1 1275.56 270.296 43 -11 -2 -2 3656.56 478.902 29 11 2 2 3525.86 409.342 43 11 2 3 66.1873 67.6755 32 -11 -2 -3 116.643 125.938 29 11 2 3 73.4566 93.2194 43 -11 -2 -4 669.944 199.357 36 11 2 4 1121.17 226.150 32 -11 -2 -4 910.083 234.357 29 -11 -2 -5 1730.76 309.151 29 -11 -2 -6 2100.05 341.269 29 -11 -2 -7 1861.95 304.913 29 11 2 8 262.244 91.6719 39 -11 -2 -8 265.059 140.557 29 -11 -2 -9 1166.58 226.464 29 -11 -2 -10 322.171 108.480 29 -11 -2 -11 656.331 152.204 29 11 3 -10 6200.03 411.786 47 11 3 -10 5862.08 413.966 43 -11 -3 9 4154.95 384.683 37 -11 -3 9 5019.88 484.655 33 11 3 -9 4211.93 348.752 47 11 3 -9 4268.56 384.283 43 -11 -3 8 3023.23 357.464 37 -11 -3 8 3799.32 434.846 33 11 3 -8 3326.36 320.326 47 11 3 -8 3069.88 351.804 43 -11 -3 7 2982.63 390.606 37 -11 -3 7 3521.62 436.476 33 11 3 -7 2683.50 304.309 47 11 3 -7 3899.81 420.099 43 -11 -3 6 1269.98 250.522 37 -11 -3 6 1482.14 300.207 33 11 3 -6 1184.77 205.139 47 11 3 -6 1106.88 249.775 43 -11 -3 5 146.807 111.744 37 -11 -3 5 152.241 141.500 33 11 3 -5 190.286 93.9359 47 -11 -3 4 979.021 250.304 37 -11 -3 4 1220.97 280.624 33 11 3 -4 717.103 158.157 47 -11 -3 3 2450.15 408.012 37 -11 -3 3 2986.06 448.742 33 -11 -3 2 2916.22 438.892 33 11 3 -2 4702.92 2362.25 26 -11 -3 1 1255.58 278.762 38 -11 -3 1 1757.25 392.788 29 -11 -3 0 932.953 263.150 38 -11 -3 0 1399.40 384.145 29 11 3 0 2070.23 1806.88 26 -11 -3 -1 3179.19 448.626 38 -11 -3 -1 4052.18 529.437 29 -11 -3 -2 893.878 233.117 38 -11 -3 -2 1727.74 363.151 29 11 3 2 2153.75 1635.13 26 11 3 3 2060.68 596.114 21 -11 -3 -3 2835.14 439.053 29 11 3 3 2206.36 334.552 43 11 3 4 421.503 341.142 21 -11 -3 -4 786.815 233.023 29 -11 -3 -5 3445.42 466.325 29 -11 -3 -6 6192.79 605.085 29 -11 -3 -7 5591.70 566.781 29 -11 -3 -8 415.607 155.550 29 -11 -3 -9 73.4717 85.1170 29 -11 -3 -10 1579.14 264.081 29 -11 -3 -11 3017.09 339.821 29 -11 -4 10 14263.8 790.515 33 11 4 -10 13019.7 617.385 47 -11 -4 9 928.548 202.240 33 11 4 -9 765.471 149.292 47 11 4 -9 809.788 167.588 43 -11 -4 8 4604.05 487.779 33 11 4 -8 4492.49 390.522 47 11 4 -8 3931.93 400.042 43 -11 -4 7 3617.19 451.311 33 11 4 -7 3147.58 342.395 47 -11 -4 6 1962.08 339.556 33 11 4 -6 1496.05 250.360 47 -11 -4 5 6307.17 627.422 33 11 4 -5 5911.31 481.745 47 -11 -4 4 4637.88 550.414 33 11 4 -4 4242.13 413.809 47 -11 -4 3 158.961 178.687 33 11 4 -3 102.117 116.957 47 -11 -4 2 1268.68 301.828 38 -11 -4 2 2059.25 367.770 33 11 4 -2 2437.28 2224.41 26 -11 -4 1-59.4894 169.667 38 -11 -4 1 156.172 149.589 33 -11 -4 1 35.6197 105.579 29 -11 -4 0 850.850 277.032 38 -11 -4 0 1054.50 294.882 29 11 4 0 501.629 1830.34 26 -11 -4 -1 534.088 272.064 38 -11 -4 -1 844.928 292.263 29 11 4 1 24.1715 1806.57 26 -11 -4 -2 4821.21 589.420 38 -11 -4 -2 7587.13 725.966 29 -11 -4 -3 5746.40 645.316 38 -11 -4 -3 7205.01 715.754 29 -11 -4 -4 273.762 204.364 38 -11 -4 -4 904.794 262.348 29 -11 -4 -5 2318.29 404.195 38 -11 -4 -5 2709.79 413.269 29 -11 -4 -6 3998.98 478.350 38 -11 -4 -6 5004.45 554.993 29 -11 -4 -7 4110.06 493.914 29 -11 -4 -8 6672.05 595.085 29 -11 -4 -9 1105.55 234.916 29 -11 -4 -10 126.992 83.5261 29 -11 -4 -11 215.691 106.965 29 -11 -4 -12 270.136 99.9693 29 -11 -5 10 4029.39 396.995 33 11 5 -10 3855.63 318.122 47 11 5 -10 3238.06 284.085 43 -11 -5 9 216.578 117.300 33 11 5 -9 109.723 64.2876 47 11 5 -9 106.652 76.4928 43 -11 -5 8 392.387 160.696 33 11 5 -8 494.363 137.453 47 -11 -5 7 2236.40 351.916 33 11 5 -7 2236.83 291.331 47 -11 -5 6 418.828 149.535 33 11 5 -6 241.217 149.445 47 -11 -5 5 214.414 115.127 33 11 5 -5 72.5472 155.110 47 -11 -5 4 3362.18 454.110 33 11 5 -4 1331.50 261.848 47 -11 -5 3 6789.03 596.976 38 -11 -5 3 6470.56 650.994 33 -11 -5 2 293.076 234.499 38 -11 -5 2 261.958 186.260 33 11 5 -2-115.557 169.701 47 -11 -5 1 3448.05 504.189 38 -11 -5 1 3499.88 484.972 33 -11 -5 1 2965.23 451.351 29 -11 -5 0 2712.40 465.284 38 -11 -5 0 3353.90 493.809 29 -11 -5 -1 4729.53 570.907 38 -11 -5 -1 5875.50 615.718 29 -11 -5 -2 4134.20 555.494 38 -11 -5 -2 4963.70 571.236 29 -11 -5 -3 4624.68 561.032 38 -11 -5 -3 5839.59 604.972 29 -11 -5 -4 2562.66 458.698 38 -11 -5 -4 2626.60 405.715 29 -11 -5 -5 3537.70 502.066 38 -11 -5 -5 3939.09 484.390 29 -11 -5 -6 826.055 302.541 38 -11 -5 -6 881.089 230.731 29 -11 -5 -7 866.970 304.053 38 -11 -5 -7 1230.37 264.090 29 -11 -5 -8 1487.19 313.262 38 -11 -5 -8 1695.85 298.050 29 -11 -5 -9 6405.18 546.745 29 -11 -5 -10 1340.61 237.617 29 -11 -5 -11 131.181 87.6345 29 -11 -5 -12 5529.79 424.140 29 -11 -6 9 110.233 69.5279 33 11 6 -9 51.5910 90.4602 47 -11 -6 8 731.562 176.204 33 11 6 -8 890.462 186.685 47 -11 -6 7 333.893 136.228 33 11 6 -7 256.777 145.609 47 -11 -6 6 61.1085 58.1485 33 11 6 -6 69.9962 187.771 47 -11 -6 5 736.296 188.921 33 11 6 -5-105.141 227.804 47 -11 -6 4 6981.68 584.640 38 -11 -6 4 6425.60 600.843 33 -11 -6 3 11323.7 777.312 38 -11 -6 3 9833.84 769.120 33 -11 -6 3 9806.19 751.383 29 -11 -6 2 7655.48 680.218 38 -11 -6 2 7729.01 691.168 33 -11 -6 2 7431.80 660.991 29 -11 -6 1 157.573 180.197 38 -11 -6 1 479.411 218.393 29 -11 -6 0 746.898 268.305 38 -11 -6 0 758.271 241.162 29 -11 -6 -1 217.290 222.601 38 -11 -6 -1 139.884 142.711 29 -11 -6 -2 261.837 258.077 38 -11 -6 -2 889.122 259.366 29 -11 -6 -3 3887.91 536.946 38 -11 -6 -3 4448.13 494.281 29 -11 -6 -4 3955.17 529.066 38 -11 -6 -4 4283.10 487.724 29 -11 -6 -5 3370.43 501.779 38 -11 -6 -5 3348.51 416.670 29 -11 -6 -6 262.653 258.698 38 -11 -6 -6 141.398 120.732 29 -11 -6 -7 717.885 317.810 38 -11 -6 -7 768.253 204.173 29 -11 -6 -8 499.712 255.641 38 -11 -6 -8 202.256 87.3437 29 -11 -6 -9 51.9388 184.172 38 -11 -6 -9 37.1271 53.7027 29 -11 -6 -10 290.190 102.136 29 -11 -6 -11 1173.14 189.114 29 11 7 -8 219.376 121.340 47 -11 -7 7 354.968 109.382 33 11 7 -7 66.6878 161.145 47 -11 -7 6 1154.44 205.772 33 -11 -7 5 287.049 156.139 38 -11 -7 5 212.413 126.231 33 -11 -7 4 1275.78 266.431 38 -11 -7 3 5317.39 515.358 38 -11 -7 2 10725.7 758.845 38 -11 -7 1 6693.49 620.276 38 -11 -7 0 2525.92 389.875 38 -11 -7 -1 829.121 264.483 38 -11 -7 -2 1847.61 377.037 38 -11 -7 -3 4039.70 514.609 38 -11 -7 -4 5793.78 599.719 38 -11 -7 -5 7870.13 706.210 38 -11 -7 -6 2004.79 377.238 38 -11 -7 -7 833.456 264.443 38 -11 -7 -8 57.7633 192.335 38 -11 -7 -9 1615.83 322.725 38 -11 -8 5 6089.16 463.424 38 -11 -8 4 2911.03 360.882 38 -11 -8 3-94.0395 110.736 38 -11 -8 2 1090.41 236.282 38 -11 -8 1 1040.36 248.362 38 -11 -8 0 1147.85 263.299 38 -11 -8 -1 7456.64 623.109 38 -11 -8 -2 730.504 294.083 38 -11 -8 -3 7478.66 628.984 38 -11 -8 -4 1242.57 291.476 38 -11 -8 -5 17221.5 953.703 38 -11 -8 -6 7662.45 618.443 38 -11 -8 -7 7183.03 576.995 38 -11 -8 -8 9947.05 665.513 38 -11 -8 -9 11813.4 676.331 38 -11 -9 3 8425.03 573.207 38 -11 -9 2 4455.18 427.135 38 -11 -9 1 444.489 136.994 38 -11 -9 0 9699.51 667.625 38 -11 -9 -1 4237.72 445.660 38 -11 -9 -2 7093.18 576.330 38 -11 -9 -3 570.147 239.995 38 -11 -9 -4 8736.24 629.500 38 -11 -9 -5 33295.1 1261.30 38 -11 -9 -6 4439.97 429.182 38 -11 -9 -7 491.071 206.340 38 12 1 -2 944.823 172.109 39 12 1 -2 1022.85 178.623 32 -12 -1 2 1148.60 200.842 29 12 1 -2 655.576 135.277 43 12 1 -1 242.003 101.828 39 12 1 -1 152.883 78.5073 32 12 1 -1 45.5895 50.6336 43 12 1 0 402.041 116.284 39 12 1 0 413.041 111.691 32 -12 -1 0 765.216 173.134 29 12 1 1 7730.55 525.687 39 12 1 1 7548.87 474.987 32 12 1 2 77.6403 55.6974 39 12 1 2 121.863 51.3589 32 -12 -1 -2 230.813 116.168 29 12 2 -5 175.862 75.2024 39 12 2 -5 26.5454 39.9386 32 -12 -2 5 73.5503 65.3653 29 12 2 -5 168.876 78.5457 43 12 2 -4 482.500 128.886 32 -12 -2 4 502.090 144.300 29 12 2 -4 491.995 125.209 43 12 2 -3 109.673 79.2895 32 -12 -2 3 130.797 81.1877 29 12 2 -3 26.5133 50.2391 43 12 2 -2 1731.74 253.938 32 -12 -2 2 1984.86 286.959 29 12 2 -2 1633.36 230.333 43 12 2 -1 208.230 93.6765 32 12 2 -1 175.661 64.3634 43 12 2 0 1220.50 219.294 32 12 2 0 901.717 166.046 43 12 2 1 1397.51 223.073 32 12 2 1 1019.23 167.879 43 12 2 2 7537.05 499.456 32 -12 -2 -2 9210.54 614.869 29 12 2 3 3382.25 310.758 32 -12 -2 -3 4962.89 444.129 29 12 2 4 8534.68 571.452 39 -12 -2 -4 9882.64 611.157 29 12 2 5 13027.9 693.211 39 -12 -2 -5 15416.0 749.614 29 -12 -3 6 5022.83 441.656 29 12 3 -6 4932.79 377.874 43 -12 -3 5 970.592 203.077 29 12 3 -5 800.633 171.301 43 -12 -3 4 2184.43 305.270 29 12 3 -4 1876.84 252.483 43 -12 -3 3 22507.5 1019.24 29 12 3 -3 18348.1 856.285 43 -12 -3 2 12065.0 748.850 29 12 3 -2 10474.1 635.418 43 -12 -3 1 2261.88 346.222 29 12 3 -1 1547.49 240.801 43 -12 -3 0 2078.14 346.614 29 12 3 0 758.349 171.718 43 12 3 1 3800.18 384.607 32 12 3 1 3137.19 325.432 43 12 3 2 10267.5 622.660 32 -12 -3 -2 11792.9 732.623 29 12 3 3-19.6795 69.5458 32 -12 -3 -3 149.781 111.564 29 -12 -3 -4 558.509 161.257 29 -12 -3 -5 3535.55 372.560 29 12 3 6 5103.95 420.776 39 -12 -3 -6 5566.51 458.130 29 12 3 7 509.827 122.579 39 -12 -3 -7 807.218 170.833 29 -12 -4 6 8047.73 546.528 29 12 4 -6 7000.71 463.887 43 -12 -4 5 14177.5 776.371 29 12 4 -5 13498.9 690.434 43 -12 -4 4 3911.17 405.201 29 12 4 -4 2852.02 326.084 43 -12 -4 3 135.043 96.3250 29 12 4 -3 273.036 129.567 43 -12 -4 2 3694.47 419.804 29 12 4 -2 3188.15 352.967 43 -12 -4 1 1372.99 288.864 29 12 4 -1 1142.56 211.641 43 -12 -4 0 3926.16 466.671 29 12 4 0 3032.74 354.447 43 -12 -4 -1 7091.21 594.327 29 12 4 1 5442.32 461.689 43 -12 -4 -2 4352.87 463.307 29 12 4 2 3354.57 350.419 43 12 4 3 1580.33 233.270 32 -12 -4 -3 1917.73 294.675 29 -12 -4 -4 1533.43 258.642 29 -12 -4 -5 616.024 161.889 29 -12 -4 -6 1474.83 245.077 29 -12 -4 -7 34.0229 58.9228 29 -12 -5 6 182.535 87.6964 29 12 5 -6 69.0091 43.5144 47 12 5 -6 124.705 84.7733 43 -12 -5 5 261.791 115.193 29 12 5 -5 97.8708 44.0715 47 12 5 -5 168.146 103.888 43 -12 -5 4 227.390 90.7344 29 -12 -5 3 989.817 211.014 29 -12 -5 2 3887.82 419.283 29 -12 -5 1 408.352 147.307 38 -12 -5 1 598.077 195.283 29 -12 -5 0 572.463 204.597 38 -12 -5 0 886.448 247.607 29 -12 -5 -1 2903.29 379.508 38 -12 -5 -1 4654.07 477.526 29 -12 -5 -2 4130.83 438.738 38 -12 -5 -2 6358.42 556.518 29 -12 -5 -3 3074.04 375.396 38 12 5 3 3078.38 337.605 43 -12 -5 -4 9758.96 652.524 29 -12 -5 -5 4091.10 415.631 29 -12 -5 -6 671.806 158.794 29 -12 -5 -7 515.352 139.643 29 -12 -6 5 2648.54 276.501 29 12 6 -5 2272.95 218.384 47 -12 -6 4 1403.11 210.051 29 12 6 -4 1296.08 176.756 47 -12 -6 3 3469.26 352.981 29 12 6 -3 3013.75 262.306 47 -12 -6 2 1478.98 238.280 38 -12 -6 2 1707.87 262.774 29 -12 -6 1 312.489 156.310 38 -12 -6 1 350.124 144.675 29 -12 -6 0 125.918 158.634 38 -12 -6 0 289.082 128.954 29 -12 -6 -1 1.62064 138.665 38 -12 -6 -1 103.428 110.645 29 -12 -6 -2 318.407 189.038 38 -12 -6 -2 381.485 137.748 29 -12 -6 -3 948.805 253.368 38 -12 -6 -3 1568.35 261.520 29 -12 -6 -4 5483.62 496.904 38 -12 -6 -4 5154.29 442.560 29 -12 -6 -5 4956.05 457.441 38 -12 -6 -5 5909.69 457.918 29 -12 -6 -6 2742.66 299.860 29 -12 -6 -7 4518.81 361.535 29 12 7 -3 13607.8 560.270 47 -12 -7 2 17945.5 783.825 38 12 7 -2 14393.2 588.147 47 -12 -7 1 4402.17 423.907 38 -12 -7 0 1304.08 274.622 38 -12 -7 -1 411.524 192.983 38 -12 -7 -2 645.042 211.373 38 -12 -7 -3 1584.25 305.495 38 -12 -7 -4-307.396 191.571 38 -12 -7 -5 354.293 189.113 38 -12 -7 -6 1189.17 238.943 38 0 0 0 0.00 0.00 0 TITL hasj151204b in P-1 REM P-1 (#2 in standard setting) CELL 1.54184 10.454965 10.522483 19.850789 83.3598 87.9438 69.2211 ZERR 38.00 0.000206 0.000209 0.000335 0.0015 0.0015 0.0018 LATT 1 SFAC C H N Ca UNIT 38.00 38.00 38.00 38.00 TREF HKLF 4 END ; _shelx_hkl_checksum 22552 _shelx_SHELXL_version_number '2014/7' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist _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 -6 0 0 0.0606 -6.0007 -0.0012 0.0004 -0.6404 0.4353 0.5428 0 5 8 0.1867 -0.0015 5.0059 7.9961 -0.5760 0.4798 -0.5848 6 0 -1 0.1038 6.0006 0.0007 -1.0000 0.6224 -0.5033 -0.5089 -2 -6 -8 0.1786 -1.9983 -6.0068 -7.9958 0.5066 -0.3219 0.8284 -5 0 -8 0.0544 -5.0009 -0.0048 -7.9966 -0.6781 -0.1811 0.7238 5 0 8 0.1021 5.0009 0.0048 7.9966 0.6781 0.1811 -0.7238 1 6 -2 0.2147 0.9978 6.0019 -2.0003 -0.7938 -0.2854 -0.3987 0 -6 3 0.2118 0.0023 -6.0012 2.9998 0.9186 0.2808 0.2743 -5 -5 -6 0.1737 -4.9990 -5.0060 -5.9966 0.0784 0.0189 0.9693 0 0 -13 0.0459 -0.0005 -0.0062 -12.9950 -0.2347 -0.8838 0.4411 0 0 13 0.0629 0.0005 0.0062 12.9950 0.2347 0.8838 -0.4411 -6 -5 -2 0.1676 -5.9989 -5.0043 -1.9980 0.0438 0.3634 0.9240 3 2 -11 0.1178 2.9992 1.9963 -10.9963 -0.1665 -0.9911 -0.0235 6 0 -6 0.0989 6.0004 -0.0016 -5.9981 0.5321 -0.8432 -0.3392 7 2 -2 0.1615 7.0000 2.0013 -2.0000 0.4229 -0.6694 -0.6908 6 0 3 0.0971 6.0008 0.0026 2.9985 0.6946 -0.2314 -0.6446 -2 -7 2 0.2020 -1.9976 -7.0025 2.0005 0.8312 0.3707 0.5518 _olex2_date_sample_data_collection 2015-12-04 _olex2_submission_special_instructions 'No special instructions were received'