# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2013 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_Rebek1006 #TrackingRef 'Rebek1006.cif' _audit_creation_method SHELXL-2012 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C42 H32 N6 O6 U, 2(C5 H5 N)' _chemical_formula_sum 'C52 H42 N8 O6 U' _chemical_formula_weight 1112.96 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' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' U U -4.3638 13.4090 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/c' _space_group_name_Hall '-P 2ybc' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 16.8356(11) _cell_length_b 9.0753(6) _cell_length_c 14.9922(10) _cell_angle_alpha 90 _cell_angle_beta 93.824(2) _cell_angle_gamma 90 _cell_volume 2285.5(3) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 359 _cell_measurement_theta_min 2.63 _cell_measurement_theta_max 57.48 _exptl_crystal_description Block _exptl_crystal_colour Colorless _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.617 _exptl_crystal_F_000 1100 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.287 _exptl_crystal_size_mid 0.116 _exptl_crystal_size_min 0.106 _exptl_absorpt_coefficient_mu 10.493 _shelx_estimated_absorpt_T_min 0.153 _shelx_estimated_absorpt_T_max 0.403 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5243 _exptl_absorpt_correction_T_max 0.7451 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_source 'micro-focus sealed tube' _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean '512 x 512' _diffrn_reflns_number 17768 _diffrn_reflns_av_unetI/netI 0.0265 _diffrn_reflns_av_R_equivalents 0.0391 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 2.630 _diffrn_reflns_theta_max 57.703 _diffrn_reflns_theta_full 67.679 _diffrn_measured_fraction_theta_max 0.973 _diffrn_measured_fraction_theta_full 0.743 _diffrn_reflns_Laue_measured_fraction_max 0.973 _diffrn_reflns_Laue_measured_fraction_full 0.743 _diffrn_reflns_point_group_measured_fraction_max 0.973 _diffrn_reflns_point_group_measured_fraction_full 0.743 _reflns_number_total 3065 _reflns_number_gt 2715 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-2012 (Sheldrick, 2012)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; ? ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+1.6937P] where P=(Fo^2^+2Fc^2^)/3 ; _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 3065 _refine_ls_number_parameters 308 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0241 _refine_ls_R_factor_gt 0.0218 _refine_ls_wR_factor_ref 0.0648 _refine_ls_wR_factor_gt 0.0613 _refine_ls_goodness_of_fit_ref 1.087 _refine_ls_restrained_S_all 1.087 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group U1 U 0.5000 1.0000 0.0000 0.01743(10) Uani 1 2 d S . P . . O1 O 0.5997(2) 1.0161(2) 0.1290(2) 0.0269(7) Uani 1 1 d . . . . . O2 O 0.64548(18) 1.01198(19) -0.0021(2) 0.0193(7) Uani 1 1 d . . . . . O3 O 0.50514(11) 0.8058(4) 0.00780(12) 0.0253(7) Uani 1 1 d . . . . . N1 N 0.8467(3) 1.0048(2) 0.2130(3) 0.0242(9) Uani 1 1 d . . . . . H1 H 0.8774 1.0142 0.2625 0.029 Uiso 1 1 calc R U . . . C50 C 1.0974(2) 0.8829(4) 0.3981(2) 0.0349(9) Uani 1 1 d . . . . . H50 H 1.1315 0.7993 0.3997 0.042 Uiso 1 1 calc R U . . . N51 N 0.9764(3) 0.9965(2) 0.3418(3) 0.0300(10) Uani 1 1 d . . . . . C4 C 1.0673(2) 1.1261(4) 0.4430(2) 0.0309(8) Uani 1 1 d . . . . . C1 C 0.6590(3) 1.0092(3) 0.0797(3) 0.0215(11) Uani 1 1 d . . . . . C2 C 0.7402(3) 0.9963(2) 0.1208(3) 0.0181(10) Uani 1 1 d . . . . . C3 C 0.8109(3) 0.9705(4) 0.0753(3) 0.0235(9) Uani 1 1 d . . . . . C5 C 0.82519(18) 0.9440(4) -0.01959(19) 0.0224(7) Uani 1 1 d . . . . . C6 C 0.8936(3) 1.0042(3) -0.0523(3) 0.0258(11) Uani 1 1 d . . . . . H6 H 0.9276 1.0642 -0.0144 0.031 Uiso 1 1 calc R U . . . C7 C 0.9128(3) 0.9774(4) -0.1395(3) 0.0293(10) Uani 1 1 d . . . . . H7 H 0.9601 1.0178 -0.1607 0.035 Uiso 1 1 calc R U . . . C8 C 0.8631(2) 0.8920(3) -0.1956(2) 0.0308(8) Uani 1 1 d . . . . . H8 H 0.8756 0.8749 -0.2556 0.037 Uiso 1 1 calc R U . . . C9 C 0.79529(19) 0.8319(3) -0.16391(19) 0.0295(8) Uani 1 1 d . . . . . H9 H 0.7613 0.7730 -0.2023 0.035 Uiso 1 1 calc R U . . . C10 C 0.77606(19) 0.8565(3) -0.0766(2) 0.0267(7) Uani 1 1 d . . . . . H10 H 0.7294 0.8136 -0.0555 0.032 Uiso 1 1 calc R U . . . N100 N 0.8750(2) 0.9748(3) 0.1325(2) 0.0254(8) Uani 1 1 d . . . . . C11 C 0.7671(3) 1.0187(3) 0.2098(3) 0.0234(10) Uani 1 1 d . . . . . C12 C 0.72915(18) 1.0567(4) 0.29322(18) 0.0226(7) Uani 1 1 d . . . . . C13 C 0.76432(18) 1.1635(3) 0.35002(19) 0.0256(7) Uani 1 1 d . . . . . H13 H 0.8099 1.2152 0.3327 0.031 Uiso 1 1 calc R U . . . C14 C 0.73379(19) 1.1946(3) 0.43090(19) 0.0279(7) Uani 1 1 d . . . . . H14 H 0.7582 1.2678 0.4688 0.034 Uiso 1 1 calc R U . . . C15 C 0.66792(19) 1.1201(3) 0.45705(19) 0.0276(7) Uani 1 1 d . . . . . H15 H 0.6471 1.1413 0.5130 0.033 Uiso 1 1 calc R U . . . C16 C 0.6322(3) 1.0142(3) 0.4015(3) 0.0291(11) Uani 1 1 d . . . . . H16 H 0.5868 0.9626 0.4195 0.035 Uiso 1 1 calc R U . . . C17 C 0.6621(3) 0.9828(3) 0.3201(3) 0.0266(10) Uani 1 1 d . . . . . H17 H 0.6369 0.9106 0.2821 0.032 Uiso 1 1 calc R U . . . N101 N 0.5550(2) 0.9762(3) -0.1578(2) 0.0215(7) Uani 1 1 d . . . . . C19 C 0.53586(19) 0.8581(3) -0.20799(19) 0.0261(7) Uani 1 1 d . . . . . H19 H 0.5027 0.7851 -0.1844 0.031 Uiso 1 1 calc R U . . . C20 C 0.5619(2) 0.8370(3) -0.29233(19) 0.0304(8) Uani 1 1 d . . . . . H20 H 0.5471 0.7510 -0.3256 0.036 Uiso 1 1 calc R U . . . C21 C 0.6098(2) 0.9425(4) -0.3277(2) 0.0336(8) Uani 1 1 d . . . . . H21 H 0.6287 0.9309 -0.3855 0.040 Uiso 1 1 calc R U . . . C22 C 0.6295(2) 1.0660(4) -0.2764(2) 0.0352(9) Uani 1 1 d . . . . . H22 H 0.6618 1.1415 -0.2989 0.042 Uiso 1 1 calc R U . . . C23 C 0.6016(2) 1.0779(3) -0.1923(2) 0.0271(7) Uani 1 1 d . . . . . H23 H 0.6161 1.1621 -0.1573 0.033 Uiso 1 1 calc R U . . . C24 C 1.1183(4) 1.0077(3) 0.4469(4) 0.0364(13) Uani 1 1 d . . . . . H24 H 1.1670 1.0117 0.4825 0.044 Uiso 1 1 calc R U . . . C25 C 1.0264(2) 0.8817(4) 0.3470(2) 0.0318(8) Uani 1 1 d . . . . . H25 H 1.0121 0.7952 0.3140 0.038 Uiso 1 1 calc R U . . . C26 C 0.9979(2) 1.1160(4) 0.3896(2) 0.0309(8) Uani 1 1 d . . . . . H26 H 0.9632 1.1987 0.3866 0.037 Uiso 1 1 calc R U . . . H4 H 1.082(2) 1.219(4) 0.475(2) 0.037(9) Uiso 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 U1 0.01680(15) 0.01988(15) 0.01545(14) 0.00071(4) -0.00015(9) 0.00023(5) O1 0.0235(18) 0.0378(15) 0.0192(16) 0.0006(8) -0.0008(14) 0.0008(9) O2 0.0128(15) 0.0289(15) 0.0166(18) 0.0000(7) 0.0045(12) -0.0017(7) O3 0.0240(16) 0.0287(18) 0.0231(14) 0.0002(8) 0.0019(11) 0.0009(8) N1 0.021(2) 0.032(2) 0.019(2) -0.0017(8) -0.0028(17) -0.0004(9) C50 0.034(2) 0.0318(19) 0.038(2) 0.0078(16) 0.0005(17) 0.0031(16) N51 0.028(2) 0.040(3) 0.022(2) 0.0008(9) -0.0011(19) -0.0020(11) C4 0.036(2) 0.0304(19) 0.0266(19) 0.0028(15) 0.0001(16) -0.0103(16) C1 0.024(3) 0.017(2) 0.024(3) 0.0027(10) 0.000(2) -0.0012(11) C2 0.020(3) 0.018(2) 0.016(2) 0.0012(9) 0.000(2) -0.0018(9) C3 0.021(2) 0.0215(14) 0.027(2) 0.0050(16) -0.0001(17) 0.0004(16) C5 0.0253(18) 0.0188(17) 0.0231(17) 0.0053(14) 0.0016(13) 0.0050(15) C6 0.024(3) 0.026(3) 0.027(3) 0.0001(10) 0.000(2) 0.0020(11) C7 0.029(2) 0.0318(18) 0.028(2) 0.0029(15) 0.0080(19) 0.0005(16) C8 0.037(2) 0.0308(17) 0.0255(17) -0.0018(13) 0.0052(15) 0.0050(15) C9 0.032(2) 0.0295(17) 0.0262(17) -0.0071(13) -0.0012(15) 0.0027(15) C10 0.0225(17) 0.0225(15) 0.0349(18) -0.0009(13) 0.0006(14) -0.0019(13) N100 0.0233(19) 0.0296(13) 0.0233(18) -0.0002(12) 0.0008(15) -0.0010(13) C11 0.022(2) 0.0226(17) 0.025(2) 0.0023(13) -0.0008(18) -0.0020(13) C12 0.0250(19) 0.0213(18) 0.0212(17) 0.0034(14) -0.0016(14) 0.0020(15) C13 0.0242(17) 0.0249(16) 0.0270(17) 0.0030(13) -0.0017(14) 0.0022(13) C14 0.0319(19) 0.0280(16) 0.0230(17) -0.0012(13) -0.0040(14) 0.0074(14) C15 0.0328(19) 0.0309(18) 0.0191(16) 0.0039(13) 0.0031(14) 0.0087(15) C16 0.027(3) 0.033(2) 0.028(3) 0.0061(13) 0.005(2) 0.0015(14) C17 0.028(3) 0.027(2) 0.024(2) 0.0013(12) 0.000(2) 0.0004(14) N101 0.0189(18) 0.0270(14) 0.0185(17) -0.0004(12) 0.0007(14) 0.0015(13) C19 0.0288(18) 0.0223(15) 0.0269(17) -0.0002(13) 0.0003(14) 0.0002(14) C20 0.042(2) 0.0271(17) 0.0211(17) -0.0053(13) -0.0011(15) 0.0050(15) C21 0.046(2) 0.036(2) 0.0190(19) 0.0000(17) 0.0052(17) 0.0022(19) C22 0.044(2) 0.032(2) 0.030(2) 0.0008(16) 0.0067(17) -0.0064(17) C23 0.0299(19) 0.0284(18) 0.0230(18) -0.0029(13) 0.0010(15) -0.0050(15) C24 0.030(3) 0.046(3) 0.032(3) 0.0094(13) -0.006(2) -0.0047(14) C25 0.037(2) 0.0314(19) 0.0269(19) -0.0033(14) 0.0037(17) -0.0055(17) C26 0.033(2) 0.0294(18) 0.030(2) 0.0019(15) 0.0022(16) 0.0022(16) _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 U1 O3 1.768(3) 3_675 ? U1 O3 1.768(3) . ? U1 O2 2.454(3) 3_675 ? U1 O2 2.454(3) . ? U1 O1 2.479(3) . ? U1 O1 2.479(3) 3_675 ? U1 N101 2.607(4) 3_675 ? U1 N101 2.607(4) . ? U1 C1 2.858(5) . ? U1 C1 2.858(5) 3_675 ? O1 C1 1.283(6) . ? O2 C1 1.233(6) . ? N1 C11 1.343(7) . ? N1 N100 1.354(6) . ? N1 H1 0.8800 . ? C50 C25 1.377(5) . ? C50 C24 1.381(5) . ? C50 H50 0.9500 . ? N51 C26 1.336(4) . ? N51 C25 1.339(5) . ? C4 C24 1.374(6) . ? C4 C26 1.375(5) . ? C4 H4 0.99(3) . ? C1 C2 1.467(7) . ? C2 C11 1.395(7) . ? C2 C3 1.430(7) . ? C3 N100 1.334(6) . ? C3 C5 1.478(5) . ? C5 C6 1.393(6) . ? C5 C10 1.397(4) . ? C6 C7 1.390(7) . ? C6 H6 0.9500 . ? C7 C8 1.384(6) . ? C7 H7 0.9500 . ? C8 C9 1.378(5) . ? C8 H8 0.9500 . ? C9 C10 1.387(4) . ? C9 H9 0.9500 . ? C10 H10 0.9500 . ? C11 C12 1.483(6) . ? C12 C17 1.394(6) . ? C12 C13 1.396(4) . ? C13 C14 1.378(4) . ? C13 H13 0.9500 . ? C14 C15 1.378(5) . ? C14 H14 0.9500 . ? C15 C16 1.383(5) . ? C15 H15 0.9500 . ? C16 C17 1.381(7) . ? C16 H16 0.9500 . ? C17 H17 0.9500 . ? N101 C19 1.337(4) . ? N101 C23 1.337(5) . ? C19 C20 1.379(4) . ? C19 H19 0.9500 . ? C20 C21 1.380(5) . ? C20 H20 0.9500 . ? C21 C22 1.387(6) . ? C21 H21 0.9500 . ? C22 C23 1.379(5) . ? C22 H22 0.9500 . ? C23 H23 0.9500 . ? C24 H24 0.9500 . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O3 U1 O3 180.0 3_675 . ? O3 U1 O2 90.03(7) 3_675 3_675 ? O3 U1 O2 89.97(7) . 3_675 ? O3 U1 O2 89.97(7) 3_675 . ? O3 U1 O2 90.03(7) . . ? O2 U1 O2 180.0 3_675 . ? O3 U1 O1 91.18(8) 3_675 . ? O3 U1 O1 88.82(8) . . ? O2 U1 O1 128.07(11) 3_675 . ? O2 U1 O1 51.93(11) . . ? O3 U1 O1 88.82(8) 3_675 3_675 ? O3 U1 O1 91.18(8) . 3_675 ? O2 U1 O1 51.93(11) 3_675 3_675 ? O2 U1 O1 128.07(11) . 3_675 ? O1 U1 O1 180.0 . 3_675 ? O3 U1 N101 87.62(8) 3_675 3_675 ? O3 U1 N101 92.38(8) . 3_675 ? O2 U1 N101 64.93(10) 3_675 3_675 ? O2 U1 N101 115.07(10) . 3_675 ? O1 U1 N101 63.26(11) . 3_675 ? O1 U1 N101 116.74(11) 3_675 3_675 ? O3 U1 N101 92.38(8) 3_675 . ? O3 U1 N101 87.62(8) . . ? O2 U1 N101 115.07(10) 3_675 . ? O2 U1 N101 64.93(10) . . ? O1 U1 N101 116.74(11) . . ? O1 U1 N101 63.26(11) 3_675 . ? N101 U1 N101 180.0 3_675 . ? O3 U1 C1 92.23(8) 3_675 . ? O3 U1 C1 87.77(8) . . ? O2 U1 C1 154.60(13) 3_675 . ? O2 U1 C1 25.40(13) . . ? O1 U1 C1 26.62(13) . . ? O1 U1 C1 153.38(13) 3_675 . ? N101 U1 C1 89.88(13) 3_675 . ? N101 U1 C1 90.12(13) . . ? O3 U1 C1 87.77(8) 3_675 3_675 ? O3 U1 C1 92.23(8) . 3_675 ? O2 U1 C1 25.40(13) 3_675 3_675 ? O2 U1 C1 154.60(13) . 3_675 ? O1 U1 C1 153.38(13) . 3_675 ? O1 U1 C1 26.62(13) 3_675 3_675 ? N101 U1 C1 90.12(13) 3_675 3_675 ? N101 U1 C1 89.88(13) . 3_675 ? C1 U1 C1 180.0 . 3_675 ? C1 O1 U1 93.4(3) . . ? C1 O2 U1 96.0(3) . . ? C11 N1 N100 113.4(4) . . ? C11 N1 H1 123.3 . . ? N100 N1 H1 123.3 . . ? C25 C50 C24 118.8(4) . . ? C25 C50 H50 120.6 . . ? C24 C50 H50 120.6 . . ? C26 N51 C25 117.0(4) . . ? C24 C4 C26 118.5(4) . . ? C24 C4 H4 121(2) . . ? C26 C4 H4 120.7(19) . . ? O2 C1 O1 118.3(5) . . ? O2 C1 C2 121.7(5) . . ? O1 C1 C2 120.1(4) . . ? O2 C1 U1 58.6(3) . . ? O1 C1 U1 60.0(3) . . ? C2 C1 U1 173.75(16) . . ? C11 C2 C3 104.7(4) . . ? C11 C2 C1 128.6(4) . . ? C3 C2 C1 126.5(4) . . ? N100 C3 C2 110.6(4) . . ? N100 C3 C5 116.6(4) . . ? C2 C3 C5 132.8(4) . . ? C6 C5 C10 118.5(3) . . ? C6 C5 C3 117.8(3) . . ? C10 C5 C3 123.6(3) . . ? C7 C6 C5 120.8(4) . . ? C7 C6 H6 119.6 . . ? C5 C6 H6 119.6 . . ? C8 C7 C6 120.1(4) . . ? C8 C7 H7 120.0 . . ? C6 C7 H7 120.0 . . ? C9 C8 C7 119.5(3) . . ? C9 C8 H8 120.2 . . ? C7 C8 H8 120.2 . . ? C8 C9 C10 120.9(3) . . ? C8 C9 H9 119.6 . . ? C10 C9 H9 119.6 . . ? C9 C10 C5 120.2(3) . . ? C9 C10 H10 119.9 . . ? C5 C10 H10 119.9 . . ? C3 N100 N1 105.1(4) . . ? N1 C11 C2 106.2(4) . . ? N1 C11 C12 118.5(4) . . ? C2 C11 C12 135.2(4) . . ? C17 C12 C13 118.4(3) . . ? C17 C12 C11 122.3(3) . . ? C13 C12 C11 119.1(3) . . ? C14 C13 C12 120.8(3) . . ? C14 C13 H13 119.6 . . ? C12 C13 H13 119.6 . . ? C13 C14 C15 120.3(3) . . ? C13 C14 H14 119.9 . . ? C15 C14 H14 119.9 . . ? C14 C15 C16 119.7(3) . . ? C14 C15 H15 120.1 . . ? C16 C15 H15 120.1 . . ? C17 C16 C15 120.4(4) . . ? C17 C16 H16 119.8 . . ? C15 C16 H16 119.8 . . ? C16 C17 C12 120.4(4) . . ? C16 C17 H17 119.8 . . ? C12 C17 H17 119.8 . . ? C19 N101 C23 117.5(3) . . ? C19 N101 U1 119.4(2) . . ? C23 N101 U1 123.2(2) . . ? N101 C19 C20 123.2(3) . . ? N101 C19 H19 118.4 . . ? C20 C19 H19 118.4 . . ? C19 C20 C21 119.0(3) . . ? C19 C20 H20 120.5 . . ? C21 C20 H20 120.5 . . ? C20 C21 C22 118.2(3) . . ? C20 C21 H21 120.9 . . ? C22 C21 H21 120.9 . . ? C23 C22 C21 119.1(3) . . ? C23 C22 H22 120.5 . . ? C21 C22 H22 120.5 . . ? N101 C23 C22 123.0(3) . . ? N101 C23 H23 118.5 . . ? C22 C23 H23 118.5 . . ? C4 C24 C50 118.9(5) . . ? C4 C24 H24 120.5 . . ? C50 C24 H24 120.5 . . ? N51 C25 C50 123.1(3) . . ? N51 C25 H25 118.4 . . ? C50 C25 H25 118.4 . . ? N51 C26 C4 123.8(4) . . ? N51 C26 H26 118.1 . . ? C4 C26 H26 118.1 . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1 N51 0.88 1.99 2.818(6) 156.7 . _refine_diff_density_max 0.860 _refine_diff_density_min -0.679 _refine_diff_density_rms 0.092 _database_code_depnum_ccdc_archive 'CCDC 930587' ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_RebekAS1 #TrackingRef 'RebekAS1.cif' _audit_creation_method SHELXL-2012 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C72 H51 O11 U, 1.5(C5 H10), 2.5(C H2 Cl2), C6 H16 N' _chemical_formula_sum 'C88 H87 Cl5 N O11 U' _chemical_formula_weight 1749.86 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 19.6677(9) _cell_length_b 18.8428(9) _cell_length_c 22.6324(10) _cell_angle_alpha 90 _cell_angle_beta 109.593(2) _cell_angle_gamma 90 _cell_volume 7901.8(6) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 7253 _cell_measurement_theta_min 2.73 _cell_measurement_theta_max 23.43 _exptl_crystal_description Block _exptl_crystal_colour Colorless _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.471 _exptl_crystal_F_000 3548 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.153 _exptl_crystal_size_mid 0.147 _exptl_crystal_size_min 0.112 _exptl_absorpt_coefficient_mu 2.285 _shelx_estimated_absorpt_T_min 0.721 _shelx_estimated_absorpt_T_max 0.784 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6506 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed tube' _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean '512 x 512' _diffrn_reflns_number 64835 _diffrn_reflns_av_unetI/netI 0.0950 _diffrn_reflns_av_R_equivalents 0.0846 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 2.738 _diffrn_reflns_theta_max 26.422 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measured_fraction_theta_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_point_group_measured_fraction_full 0.997 _reflns_number_total 16177 _reflns_number_gt 10896 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-2012 (Sheldrick, 2012)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; ? ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.0415P)^2^+9.4494P] where P=(Fo^2^+2Fc^2^)/3 ; _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 16177 _refine_ls_number_parameters 949 _refine_ls_number_restraints 28 _refine_ls_R_factor_all 0.0915 _refine_ls_R_factor_gt 0.0472 _refine_ls_wR_factor_ref 0.1028 _refine_ls_wR_factor_gt 0.0900 _refine_ls_goodness_of_fit_ref 1.010 _refine_ls_restrained_S_all 1.012 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group U1 U 0.84090(2) 0.33235(2) 0.84428(2) 0.01177(6) Uani 1 1 d . . . . . O1 O 0.89580(18) 0.36733(18) 0.80360(15) 0.0155(8) Uani 1 1 d . . . . . O2 O 0.78591(18) 0.29763(18) 0.88453(15) 0.0163(8) Uani 1 1 d . . . . . O3 O 0.73278(18) 0.38499(18) 0.76574(15) 0.0160(8) Uani 1 1 d . . . . . O4 O 0.76516(18) 0.27960(18) 0.74354(15) 0.0165(8) Uani 1 1 d . . . . . O5 O 0.87185(17) 0.20890(17) 0.82789(15) 0.0134(8) Uani 1 1 d . . . . . O6 O 0.94924(18) 0.26330(17) 0.90854(15) 0.0133(8) Uani 1 1 d . . . . . O7 O 0.90378(17) 0.39993(17) 0.94020(15) 0.0138(8) Uani 1 1 d . . . . . O8 O 0.81702(18) 0.45664(18) 0.86914(15) 0.0156(8) Uani 1 1 d . . . . . O9 O 0.9499(2) 0.4231(2) 0.52809(17) 0.0280(10) Uani 1 1 d . . . . . O10 O 1.22578(19) 0.3534(2) 0.77178(18) 0.0263(10) Uani 1 1 d . . . . . O11 O 1.0668(2) 0.64958(19) 0.74213(17) 0.0259(9) Uani 1 1 d . . . . . C1 C 0.7236(3) 0.3324(3) 0.7292(2) 0.0153(11) Uani 1 1 d . . . . . C2 C 0.9297(3) 0.2087(3) 0.8754(2) 0.0143(11) Uani 1 1 d . . . . . C3 C 0.8670(3) 0.4557(3) 0.9222(2) 0.0119(11) Uani 1 1 d . . . . . C4 C 0.6617(3) 0.3322(3) 0.6681(2) 0.0164(11) Uani 1 1 d . . . . . C5 C 0.5913(3) 0.3261(3) 0.6703(2) 0.0157(11) Uani 1 1 d . . . . . C6 C 0.5339(3) 0.3245(3) 0.6137(2) 0.0196(12) Uani 1 1 d . . . . . H6 H 0.4860 0.3204 0.6144 0.023 Uiso 1 1 calc R U . . . C7 C 0.5450(3) 0.3287(3) 0.5574(2) 0.0211(12) Uani 1 1 d . . . . . H7 H 0.5052 0.3259 0.5195 0.025 Uiso 1 1 calc R U . . . C8 C 0.6142(3) 0.3370(3) 0.5554(2) 0.0171(11) Uani 1 1 d . . . . . H8 H 0.6209 0.3416 0.5160 0.020 Uiso 1 1 calc R U . . . C9 C 0.6744(3) 0.3388(3) 0.6102(2) 0.0166(11) Uani 1 1 d . . . . . C10 C 0.5767(3) 0.3194(3) 0.7305(2) 0.0203(13) Uani 1 1 d . . . . . C11 C 0.6156(3) 0.2730(3) 0.7778(3) 0.0250(14) Uani 1 1 d . . . . . H11 H 0.6530 0.2452 0.7716 0.030 Uiso 1 1 calc R U . . . C12 C 0.6014(4) 0.2661(4) 0.8335(3) 0.0430(18) Uani 1 1 d . . . . . H12 H 0.6292 0.2347 0.8653 0.052 Uiso 1 1 calc R U . . . C13 C 0.5464(4) 0.3054(5) 0.8420(4) 0.063(2) Uani 1 1 d . . . . . H13 H 0.5362 0.3016 0.8800 0.076 Uiso 1 1 calc R U . . . C14 C 0.5063(4) 0.3503(5) 0.7955(4) 0.067(3) Uani 1 1 d . . . . . H14 H 0.4681 0.3769 0.8014 0.081 Uiso 1 1 calc R U . . . C15 C 0.5212(3) 0.3571(4) 0.7402(3) 0.0392(17) Uani 1 1 d . . . . . H15 H 0.4928 0.3882 0.7085 0.047 Uiso 1 1 calc R U . . . C16 C 0.7472(3) 0.3529(3) 0.6060(2) 0.0174(12) Uani 1 1 d . . . . . C17 C 0.7631(3) 0.3346(3) 0.5516(2) 0.0201(12) Uani 1 1 d . . . . . H17 H 0.7297 0.3068 0.5199 0.024 Uiso 1 1 calc R U . . . C18 C 0.8270(3) 0.3566(3) 0.5440(2) 0.0211(13) Uani 1 1 d . . . . . H18 H 0.8356 0.3459 0.5062 0.025 Uiso 1 1 calc R U . . . C19 C 0.8785(3) 0.3941(3) 0.5909(2) 0.0173(12) Uani 1 1 d . . . . . C20 C 0.8651(3) 0.4082(3) 0.6463(2) 0.0187(12) Uani 1 1 d . . . . . H20 H 0.9014 0.4305 0.6800 0.022 Uiso 1 1 calc R U . . . C21 C 0.8002(3) 0.3903(3) 0.6531(2) 0.0179(12) Uani 1 1 d . . . . . H21 H 0.7912 0.4034 0.6904 0.021 Uiso 1 1 calc R U . . . C22 C 0.9446(3) 0.4212(3) 0.5805(2) 0.0191(12) Uani 1 1 d . . . . . C23 C 1.0062(3) 0.4441(3) 0.6379(2) 0.0179(12) Uani 1 1 d . . . . . C24 C 1.0597(3) 0.3941(3) 0.6663(2) 0.0168(12) Uani 1 1 d . . . . . C25 C 1.1107(3) 0.4105(3) 0.7247(2) 0.0169(12) Uani 1 1 d . . . . . C26 C 1.1121(3) 0.4765(3) 0.7529(2) 0.0158(12) Uani 1 1 d . . . . . C27 C 1.0571(3) 0.5246(3) 0.7239(2) 0.0158(12) Uani 1 1 d . . . . . C28 C 1.0037(3) 0.5097(3) 0.6657(2) 0.0163(12) Uani 1 1 d . . . . . C29 C 1.1042(3) 0.3334(4) 0.5875(3) 0.0347(15) Uani 1 1 d . . . . . H29A H 1.0790 0.3685 0.5558 0.052 Uiso 1 1 calc R U . . . H29B H 1.1060 0.2879 0.5671 0.052 Uiso 1 1 calc R U . . . H29C H 1.1534 0.3498 0.6099 0.052 Uiso 1 1 calc R U . . . C30 C 1.0639(3) 0.3240(3) 0.6340(2) 0.0238(13) Uani 1 1 d . . . . . H30A H 1.0890 0.2883 0.6659 0.029 Uiso 1 1 calc R U . . . H30B H 1.0145 0.3064 0.6116 0.029 Uiso 1 1 calc R U . . . C31 C 1.2378(3) 0.5264(3) 0.8007(3) 0.0307(15) Uani 1 1 d . . . . . H31A H 1.2547 0.4924 0.7760 0.046 Uiso 1 1 calc R U . . . H31B H 1.2765 0.5356 0.8405 0.046 Uiso 1 1 calc R U . . . H31C H 1.2242 0.5709 0.7773 0.046 Uiso 1 1 calc R U . . . C32 C 1.1717(3) 0.4954(3) 0.8140(2) 0.0228(13) Uani 1 1 d . . . . . H32A H 1.1863 0.4524 0.8404 0.027 Uiso 1 1 calc R U . . . H32B H 1.1533 0.5307 0.8374 0.027 Uiso 1 1 calc R U . . . C33 C 0.9699(3) 0.6133(3) 0.5913(3) 0.0293(15) Uani 1 1 d . . . . . H33A H 0.9818 0.5851 0.5597 0.044 Uiso 1 1 calc R U . . . H33B H 1.0124 0.6402 0.6162 0.044 Uiso 1 1 calc R U . . . H33C H 0.9306 0.6462 0.5703 0.044 Uiso 1 1 calc R U . . . C34 C 0.9461(3) 0.5639(3) 0.6343(2) 0.0203(13) Uani 1 1 d . . . . . H34A H 0.9354 0.5924 0.6669 0.024 Uiso 1 1 calc R U . . . H34B H 0.9013 0.5390 0.6095 0.024 Uiso 1 1 calc R U . . . C35 C 0.9721(3) 0.1404(3) 0.8901(2) 0.0139(12) Uani 1 1 d . . . . . C36 C 0.9446(3) 0.0841(3) 0.9154(2) 0.0192(13) Uani 1 1 d . . . . . C37 C 0.9821(3) 0.0191(3) 0.9246(2) 0.0205(13) Uani 1 1 d . . . . . H37 H 0.9637 -0.0205 0.9405 0.025 Uiso 1 1 calc R U . . . C38 C 1.0450(3) 0.0118(3) 0.9108(3) 0.0268(14) Uani 1 1 d . . . . . H38 H 1.0696 -0.0324 0.9176 0.032 Uiso 1 1 calc R U . . . C39 C 1.0726(3) 0.0684(3) 0.8871(3) 0.0253(14) Uani 1 1 d . . . . . H39 H 1.1163 0.0630 0.8784 0.030 Uiso 1 1 calc R U . . . C40 C 1.0364(3) 0.1337(3) 0.8761(2) 0.0179(12) Uani 1 1 d . . . . . C41 C 0.8787(3) 0.0887(3) 0.9343(2) 0.0151(12) Uani 1 1 d . . . . . C42 C 0.8601(3) 0.1505(3) 0.9594(2) 0.0182(13) Uani 1 1 d . . . . . H42 H 0.8893 0.1917 0.9637 0.022 Uiso 1 1 calc R U . . . C43 C 0.8001(3) 0.1529(3) 0.9780(3) 0.0244(14) Uani 1 1 d . . . . . H43 H 0.7884 0.1957 0.9946 0.029 Uiso 1 1 calc R U . . . C44 C 0.7570(3) 0.0943(3) 0.9729(3) 0.0258(14) Uani 1 1 d . . . . . H44 H 0.7159 0.0962 0.9859 0.031 Uiso 1 1 calc R U . . . C45 C 0.7745(3) 0.0327(3) 0.9484(3) 0.0279(14) Uani 1 1 d . . . . . H45 H 0.7459 -0.0086 0.9456 0.033 Uiso 1 1 calc R U . . . C46 C 0.8335(3) 0.0303(3) 0.9279(2) 0.0234(13) Uani 1 1 d . . . . . H46 H 0.8431 -0.0119 0.9091 0.028 Uiso 1 1 calc R U . . . C47 C 1.0671(3) 0.1926(3) 0.8483(2) 0.0158(12) Uani 1 1 d . . . . . C48 C 1.1420(3) 0.2004(3) 0.8642(3) 0.0222(13) Uani 1 1 d . . . . . H48 H 1.1730 0.1696 0.8947 0.027 Uiso 1 1 calc R U . . . C49 C 1.1718(3) 0.2513(3) 0.8367(2) 0.0199(12) Uani 1 1 d . . . . . H49 H 1.2227 0.2541 0.8473 0.024 Uiso 1 1 calc R U . . . C50 C 1.1273(3) 0.2993(3) 0.7930(2) 0.0168(12) Uani 1 1 d . . . . . C51 C 1.0529(3) 0.2930(3) 0.7784(2) 0.0186(12) Uani 1 1 d . . . . . H51 H 1.0219 0.3256 0.7500 0.022 Uiso 1 1 calc R U . . . C52 C 1.0235(3) 0.2401(3) 0.8045(2) 0.0159(12) Uani 1 1 d . . . . . H52 H 0.9725 0.2360 0.7924 0.019 Uiso 1 1 calc R U . . . C53 C 1.1610(3) 0.3534(3) 0.7628(2) 0.0187(12) Uani 1 1 d . . . . . C54 C 0.8801(3) 0.5208(3) 0.9628(2) 0.0120(11) Uani 1 1 d . . . . . C55 C 0.8431(3) 0.5262(3) 1.0064(2) 0.0151(11) Uani 1 1 d . . . . . C56 C 0.8513(3) 0.5878(3) 1.0418(2) 0.0207(13) Uani 1 1 d . . . . . H56 H 0.8251 0.5929 1.0699 0.025 Uiso 1 1 calc R U . . . C57 C 0.8962(3) 0.6411(3) 1.0371(2) 0.0186(12) Uani 1 1 d . . . . . H57 H 0.9026 0.6817 1.0633 0.022 Uiso 1 1 calc R U . . . C58 C 0.9325(3) 0.6361(3) 0.9943(2) 0.0133(11) Uani 1 1 d . . . . . H58 H 0.9637 0.6735 0.9915 0.016 Uiso 1 1 calc R U . . . C59 C 0.9239(3) 0.5770(3) 0.9552(2) 0.0138(11) Uani 1 1 d . . . . . C60 C 0.7950(3) 0.4682(3) 1.0137(2) 0.0205(13) Uani 1 1 d . . . . . C61 C 0.8234(4) 0.4016(3) 1.0365(3) 0.0282(15) Uani 1 1 d . . . . . H61 H 0.8734 0.3923 1.0459 0.034 Uiso 1 1 calc R U . . . C62 C 0.7777(5) 0.3493(4) 1.0451(3) 0.047(2) Uani 1 1 d . . . . . H62 H 0.7972 0.3048 1.0623 0.056 Uiso 1 1 calc R U . . . C63 C 0.7057(5) 0.3609(4) 1.0295(4) 0.055(2) Uani 1 1 d . . . . . H63 H 0.6748 0.3241 1.0341 0.066 Uiso 1 1 calc R U . . . C64 C 0.6776(4) 0.4269(5) 1.0067(4) 0.064(2) Uani 1 1 d . . . . . H64 H 0.6272 0.4353 0.9958 0.076 Uiso 1 1 calc R U . . . C65 C 0.7222(3) 0.4802(4) 0.9999(3) 0.0414(17) Uani 1 1 d . . . . . H65 H 0.7026 0.5256 0.9856 0.050 Uiso 1 1 calc R U . . . C66 C 0.9572(3) 0.5776(3) 0.9051(2) 0.0147(12) Uani 1 1 d . . . . . C67 C 0.9629(3) 0.6422(3) 0.8768(2) 0.0174(12) Uani 1 1 d . . . . . H67 H 0.9451 0.6842 0.8898 0.021 Uiso 1 1 calc R U . . . C68 C 0.9939(3) 0.6462(3) 0.8306(2) 0.0195(12) Uani 1 1 d . . . . . H68 H 0.9988 0.6911 0.8134 0.023 Uiso 1 1 calc R U . . . C69 C 1.0180(3) 0.5856(3) 0.8086(2) 0.0157(12) Uani 1 1 d . . . . . C70 C 1.0118(3) 0.5203(3) 0.8361(2) 0.0165(12) Uani 1 1 d . . . . . H70 H 1.0268 0.4780 0.8212 0.020 Uiso 1 1 calc R U . . . C71 C 0.9840(3) 0.5168(3) 0.8848(2) 0.0151(12) Uani 1 1 d . . . . . H71 H 0.9831 0.4726 0.9047 0.018 Uiso 1 1 calc R U . . . C72 C 1.0500(3) 0.5922(3) 0.7574(2) 0.0186(12) Uani 1 1 d . . . . . Cl1S Cl 1.22894(12) 0.50765(12) 0.59385(14) 0.0915(9) Uani 1 1 d . . . . . Cl2S Cl 1.17986(10) 0.63357(10) 0.63936(8) 0.0470(5) Uani 1 1 d . . . . . C1S C 1.1590(3) 0.5450(3) 0.6134(3) 0.0294(14) Uani 1 1 d . . . . . H1SA H 1.1503 0.5166 0.6470 0.035 Uiso 1 1 calc R U . . . H1SB H 1.1144 0.5443 0.5764 0.035 Uiso 1 1 calc R U . . . Cl3S Cl 1.24330(10) 0.72252(9) 0.81045(8) 0.0485(5) Uani 1 1 d . . . . . Cl4S Cl 1.16858(10) 0.83170(11) 0.85686(8) 0.0548(5) Uani 1 1 d . . . . . C2S C 1.1707(4) 0.7839(4) 0.7902(3) 0.0411(17) Uani 1 1 d . . . . . H2SA H 1.1761 0.8175 0.7585 0.049 Uiso 1 1 calc R U . . . H2SB H 1.1246 0.7581 0.7716 0.049 Uiso 1 1 calc R U . . . Cl5S Cl 1.0750(6) 0.1153(4) 0.6447(3) 0.100(2) Uani 0.5 1 d D U P A 1 Cl6S Cl 1.1059(4) 0.0159(3) 0.7514(3) 0.115(2) Uani 0.5 1 d D U P A 1 C1A C 1.076(3) 0.1260(15) 0.6240(11) 0.100(2) Uani 0.5 1 d D U P B 2 H1AA H 1.0405 0.1642 0.6066 0.121 Uiso 0.5 1 calc R U P B 2 H1AB H 1.1217 0.1387 0.6170 0.121 Uiso 0.5 1 calc R U P B 2 C3S C 1.1129(12) 0.1027(9) 0.7255(7) 0.065(4) Uani 0.5 1 d D U P A 1 H3SA H 1.0892 0.1355 0.7467 0.078 Uiso 0.5 1 calc R U P A 1 H3SB H 1.1646 0.1157 0.7387 0.078 Uiso 0.5 1 calc R U P A 1 C8S C 1.0892(12) 0.1164(10) 0.6944(10) 0.065(4) Uani 0.5 1 d D U P B 2 H8SA H 1.1414 0.1184 0.7186 0.078 Uiso 0.5 1 calc R U P B 2 H8SB H 1.0644 0.1542 0.7098 0.078 Uiso 0.5 1 calc R U P B 2 C9S C 1.0586(14) 0.0439(12) 0.7012(10) 0.115(2) Uani 0.5 1 d D U P B 2 H9SA H 1.0975 0.0085 0.7177 0.138 Uiso 0.5 1 calc R U P B 2 H9SB H 1.0294 0.0462 0.7293 0.138 Uiso 0.5 1 calc R U P B 2 C10S C 1.0120(11) 0.0265(12) 0.6346(9) 0.116(7) Uani 0.5 1 d D U P B 2 H10A H 1.0065 -0.0255 0.6290 0.139 Uiso 0.5 1 calc R U P B 2 H10B H 0.9634 0.0478 0.6251 0.139 Uiso 0.5 1 calc R U P B 2 C11S C 1.0477(9) 0.0557(9) 0.5927(8) 0.073(4) Uani 0.5 1 d D U P B 2 H11A H 1.0131 0.0628 0.5498 0.087 Uiso 0.5 1 calc R U P B 2 H11B H 1.0875 0.0246 0.5908 0.087 Uiso 0.5 1 calc R U P B 2 C1B C 0.8353(4) 0.1793(5) 0.4729(4) 0.0912(16) Uani 1 1 d D . . . . H1BA H 0.8147 0.2252 0.4537 0.109 Uiso 1 1 calc R U . . . H1BB H 0.8034 0.1582 0.4940 0.109 Uiso 1 1 calc R U . . . C4S C 0.9106(4) 0.1880(6) 0.5173(4) 0.0912(16) Uani 1 1 d D . . . . H4SA H 0.9295 0.1437 0.5406 0.109 Uiso 0.684(9) 1 calc R U P C 1 H4SB H 0.9146 0.2274 0.5473 0.109 Uiso 0.684(9) 1 calc R U P C 1 H4SC H 0.9137 0.1752 0.5606 0.109 Uiso 0.316(9) 1 calc R U P C 2 H4SD H 0.9274 0.2375 0.5170 0.109 Uiso 0.316(9) 1 calc R U P C 2 C5S C 0.9467(7) 0.2052(8) 0.4704(5) 0.0912(16) Uani 0.684(9) 1 d D . P C 1 H5SA H 0.9972 0.1881 0.4854 0.109 Uiso 0.684(9) 1 calc R U P C 1 H5SB H 0.9469 0.2571 0.4638 0.109 Uiso 0.684(9) 1 calc R U P C 1 C5SB C 0.9546(12) 0.1376(15) 0.4928(12) 0.0912(16) Uani 0.316(9) 1 d D . P C 2 H5SC H 0.9965 0.1645 0.4896 0.109 Uiso 0.316(9) 1 calc R U P C 2 H5SD H 0.9739 0.1006 0.5251 0.109 Uiso 0.316(9) 1 calc R U P C 2 C6S C 0.9043(7) 0.1684(8) 0.4102(5) 0.0912(16) Uani 0.684(9) 1 d D . P C 1 H6SA H 0.8836 0.2034 0.3763 0.109 Uiso 0.684(9) 1 calc R U P C 1 H6SB H 0.9354 0.1351 0.3970 0.109 Uiso 0.684(9) 1 calc R U P C 1 C6SB C 0.9198(8) 0.1007(16) 0.4313(12) 0.0912(16) Uani 0.316(9) 1 d D . P C 2 H6SC H 0.9226 0.0483 0.4347 0.109 Uiso 0.316(9) 1 calc R U P C 2 H6SD H 0.9379 0.1173 0.3978 0.109 Uiso 0.316(9) 1 calc R U P C 2 C7S C 0.8464(5) 0.1296(5) 0.4252(4) 0.0912(16) Uani 1 1 d D . . . . H7SA H 0.8625 0.0821 0.4431 0.109 Uiso 0.684(9) 1 calc R U P C 1 H7SB H 0.8022 0.1247 0.3880 0.109 Uiso 0.684(9) 1 calc R U P C 1 H7SC H 0.8280 0.1540 0.3841 0.109 Uiso 0.316(9) 1 calc R U P C 2 H7SD H 0.8144 0.0882 0.4226 0.109 Uiso 0.316(9) 1 calc R U P C 2 N1 N 0.7222(4) 0.5596(4) 0.8000(3) 0.0524(10) Uani 0.851(9) 1 d . . P . . H1A H 0.7647 0.5316 0.8263 0.063 Uiso 0.511(8) 1 calc R U P D 1 H1B H 0.7436 0.5126 0.8167 0.063 Uiso 0.489(8) 1 calc R U P D 2 C76B C 0.8025(4) 0.5698(4) 0.7366(3) 0.0524(10) Uani 1 1 d . . . . . H76A H 0.8041 0.5733 0.6939 0.079 Uiso 0.655(9) 1 calc R U P D 1 H76B H 0.8340 0.5310 0.7589 0.079 Uiso 0.655(9) 1 calc R U P D 1 H76C H 0.8191 0.6145 0.7588 0.079 Uiso 0.655(9) 1 calc R U P D 1 H76D H 0.7728 0.5841 0.6942 0.079 Uiso 0.345(9) 1 calc R U P D 2 H76E H 0.7951 0.5192 0.7424 0.079 Uiso 0.345(9) 1 calc R U P D 2 H76F H 0.8535 0.5784 0.7424 0.079 Uiso 0.345(9) 1 calc R U P D 2 C77 C 0.6501(8) 0.5190(8) 0.8070(7) 0.0524(10) Uani 0.573(9) 1 d . . P D 1 H77A H 0.6475 0.4690 0.7930 0.063 Uiso 0.573(9) 1 calc R U P D 1 H77B H 0.6505 0.5204 0.8508 0.063 Uiso 0.573(9) 1 calc R U P D 1 C73 C 0.7235(7) 0.5546(6) 0.7338(5) 0.0524(10) Uani 0.655(9) 1 d . . P D 1 H73A H 0.6901 0.5899 0.7067 0.063 Uiso 0.655(9) 1 calc R U P D 1 H73B H 0.7083 0.5067 0.7165 0.063 Uiso 0.655(9) 1 calc R U P D 1 C76 C 0.7245(9) 0.6484(8) 0.8801(7) 0.0524(10) Uani 0.511(8) 1 d . . P D 1 H76G H 0.6728 0.6551 0.8721 0.079 Uiso 0.511(8) 1 calc R U P D 1 H76H H 0.7505 0.6919 0.8980 0.079 Uiso 0.511(8) 1 calc R U P D 1 H76I H 0.7422 0.6091 0.9098 0.079 Uiso 0.511(8) 1 calc R U P D 1 C75 C 0.7365(9) 0.6318(8) 0.8213(7) 0.0524(10) Uani 0.511(8) 1 d . . P D 1 H75A H 0.7056 0.6634 0.7882 0.063 Uiso 0.511(8) 1 calc R U P D 1 H75B H 0.7873 0.6429 0.8263 0.063 Uiso 0.511(8) 1 calc R U P D 1 C78 C 0.5893(7) 0.5612(7) 0.7650(6) 0.0524(10) Uani 0.573(9) 1 d . . P D 1 H78A H 0.5840 0.5511 0.7212 0.079 Uiso 0.573(9) 1 calc R U P D 1 H78B H 0.5992 0.6119 0.7733 0.079 Uiso 0.573(9) 1 calc R U P D 1 H78C H 0.5447 0.5486 0.7727 0.079 Uiso 0.573(9) 1 calc R U P D 1 C73B C 0.7164(9) 0.6076(9) 0.8500(8) 0.0524(10) Uani 0.489(8) 1 d . . P D 2 H73C H 0.7652 0.6268 0.8721 0.063 Uiso 0.489(8) 1 calc R U P D 2 H73D H 0.7032 0.5781 0.8807 0.063 Uiso 0.489(8) 1 calc R U P D 2 C74B C 0.6645(8) 0.6705(8) 0.8336(7) 0.0524(10) Uani 0.489(8) 1 d . . P D 2 H74A H 0.6725 0.6981 0.7998 0.079 Uiso 0.489(8) 1 calc R U P D 2 H74B H 0.6730 0.7006 0.8707 0.079 Uiso 0.489(8) 1 calc R U P D 2 H74C H 0.6147 0.6531 0.8197 0.079 Uiso 0.489(8) 1 calc R U P D 2 C75B C 0.7810(12) 0.6128(12) 0.7845(10) 0.0524(10) Uani 0.345(9) 1 d . . P D 2 H75C H 0.7584 0.6584 0.7666 0.063 Uiso 0.345(9) 1 calc R U P D 2 H75D H 0.8230 0.6222 0.8226 0.063 Uiso 0.345(9) 1 calc R U P D 2 C77B C 0.6640(10) 0.5536(10) 0.7525(8) 0.0524(10) Uani 0.427(9) 1 d . . P D 2 H77C H 0.6724 0.5312 0.7160 0.063 Uiso 0.427(9) 1 calc R U P D 2 H77D H 0.6386 0.5995 0.7400 0.063 Uiso 0.427(9) 1 calc R U P D 2 C78B C 0.6272(11) 0.5065(11) 0.7830(9) 0.0524(10) Uani 0.427(9) 1 d . . P D 2 H78D H 0.5782 0.4969 0.7544 0.079 Uiso 0.427(9) 1 calc R U P D 2 H78E H 0.6246 0.5292 0.8212 0.079 Uiso 0.427(9) 1 calc R U P D 2 H78F H 0.6539 0.4618 0.7939 0.079 Uiso 0.427(9) 1 calc R U P D 2 N1B N 0.696(2) 0.620(2) 0.7748(19) 0.0524(10) Uani 0.149(9) 1 d . . P E 3 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 U1 0.01318(9) 0.00761(9) 0.01193(9) -0.00108(10) 0.00080(7) 0.00008(10) O1 0.022(2) 0.0126(19) 0.0116(18) 0.0005(15) 0.0044(15) 0.0059(16) O2 0.0195(19) 0.0114(19) 0.0173(19) 0.0007(15) 0.0054(16) 0.0026(16) O3 0.0160(19) 0.0102(19) 0.0182(19) -0.0044(16) 0.0009(16) -0.0003(15) O4 0.0176(19) 0.013(2) 0.0156(19) -0.0018(15) 0.0013(16) 0.0009(16) O5 0.0125(18) 0.0099(19) 0.0148(18) 0.0007(15) 0.0004(15) 0.0002(15) O6 0.0155(19) 0.0087(19) 0.0132(18) -0.0013(15) 0.0016(15) 0.0020(15) O7 0.0152(18) 0.0113(19) 0.0123(18) -0.0012(15) 0.0014(15) 0.0013(15) O8 0.0192(19) 0.0085(19) 0.0134(18) -0.0042(15) -0.0018(16) 0.0016(15) O9 0.024(2) 0.043(3) 0.019(2) 0.0027(19) 0.0101(18) 0.0039(19) O10 0.017(2) 0.026(2) 0.038(2) 0.0026(18) 0.0119(18) 0.0009(17) O11 0.038(2) 0.019(2) 0.028(2) 0.0015(17) 0.0199(19) -0.0049(18) C1 0.017(3) 0.017(3) 0.012(2) 0.002(3) 0.006(2) -0.003(3) C2 0.013(3) 0.012(3) 0.017(3) 0.001(2) 0.005(2) -0.001(2) C3 0.011(3) 0.012(3) 0.013(3) 0.001(2) 0.005(2) -0.002(2) C4 0.021(3) 0.007(2) 0.016(3) -0.003(2) -0.002(2) -0.002(3) C5 0.018(3) 0.004(3) 0.021(3) 0.001(2) 0.002(2) 0.004(2) C6 0.015(3) 0.014(3) 0.026(3) 0.003(3) 0.002(2) -0.002(2) C7 0.017(3) 0.009(3) 0.027(3) -0.003(3) -0.007(2) 0.000(2) C8 0.027(3) 0.008(3) 0.012(2) 0.000(2) 0.000(2) 0.001(3) C9 0.018(3) 0.011(3) 0.017(3) -0.002(2) 0.001(2) 0.002(2) C10 0.014(3) 0.022(3) 0.023(3) -0.001(2) 0.004(2) -0.002(2) C11 0.016(3) 0.028(3) 0.028(3) 0.001(3) 0.003(3) -0.003(3) C12 0.039(4) 0.057(5) 0.030(4) 0.014(3) 0.007(3) -0.006(4) C13 0.052(5) 0.107(7) 0.038(4) 0.016(5) 0.025(4) 0.016(5) C14 0.063(5) 0.101(8) 0.052(5) 0.011(5) 0.038(4) 0.038(5) C15 0.030(4) 0.053(5) 0.032(4) 0.009(3) 0.008(3) 0.011(3) C16 0.020(3) 0.011(3) 0.017(3) 0.002(2) 0.000(2) 0.004(2) C17 0.021(3) 0.017(3) 0.017(3) -0.002(3) 0.001(2) 0.003(3) C18 0.025(3) 0.024(3) 0.012(3) -0.004(2) 0.003(2) 0.005(2) C19 0.019(3) 0.016(3) 0.015(3) 0.001(2) 0.003(2) 0.003(2) C20 0.016(3) 0.021(3) 0.017(3) 0.002(2) 0.003(2) 0.001(2) C21 0.024(3) 0.013(3) 0.015(3) -0.002(2) 0.006(2) 0.002(2) C22 0.025(3) 0.018(3) 0.015(3) -0.001(2) 0.009(2) 0.007(2) C23 0.021(3) 0.019(3) 0.016(3) 0.001(2) 0.010(2) -0.003(2) C24 0.018(3) 0.018(3) 0.017(3) 0.001(2) 0.009(2) -0.002(2) C25 0.016(3) 0.020(3) 0.019(3) 0.001(2) 0.012(2) -0.001(2) C26 0.017(3) 0.017(3) 0.020(3) 0.001(2) 0.014(2) 0.000(2) C27 0.021(3) 0.016(3) 0.015(3) 0.001(2) 0.012(2) -0.004(2) C28 0.018(3) 0.020(3) 0.012(3) 0.003(2) 0.007(2) -0.004(2) C29 0.037(4) 0.042(4) 0.026(3) -0.001(3) 0.013(3) 0.012(3) C30 0.026(3) 0.029(3) 0.017(3) -0.003(3) 0.007(2) 0.000(3) C31 0.023(3) 0.038(4) 0.030(3) -0.004(3) 0.006(3) -0.001(3) C32 0.021(3) 0.025(3) 0.022(3) -0.008(3) 0.005(2) 0.002(3) C33 0.032(3) 0.029(4) 0.028(3) 0.008(3) 0.011(3) 0.007(3) C34 0.023(3) 0.018(3) 0.021(3) 0.001(2) 0.009(2) 0.002(2) C35 0.016(3) 0.012(3) 0.011(3) -0.004(2) 0.001(2) 0.000(2) C36 0.026(3) 0.010(3) 0.017(3) 0.001(2) 0.000(2) 0.001(2) C37 0.028(3) 0.011(3) 0.021(3) -0.001(2) 0.006(3) -0.001(2) C38 0.028(3) 0.014(3) 0.035(3) 0.002(3) 0.006(3) 0.012(3) C39 0.026(3) 0.017(3) 0.035(3) 0.002(3) 0.013(3) 0.005(3) C40 0.018(3) 0.013(3) 0.021(3) 0.002(2) 0.004(2) 0.000(2) C41 0.015(3) 0.014(3) 0.013(3) 0.003(2) 0.002(2) -0.002(2) C42 0.017(3) 0.014(3) 0.021(3) 0.004(2) 0.004(2) 0.002(2) C43 0.025(3) 0.021(4) 0.026(3) 0.002(2) 0.007(3) 0.002(3) C44 0.018(3) 0.031(4) 0.028(3) 0.001(3) 0.007(3) -0.003(3) C45 0.028(3) 0.022(3) 0.034(4) -0.001(3) 0.010(3) -0.013(3) C46 0.031(3) 0.014(3) 0.022(3) -0.003(2) 0.005(3) -0.003(3) C47 0.022(3) 0.008(3) 0.019(3) -0.004(2) 0.009(2) 0.000(2) C48 0.022(3) 0.018(3) 0.023(3) 0.005(2) 0.002(2) 0.006(2) C49 0.014(3) 0.017(3) 0.028(3) 0.002(2) 0.006(2) 0.003(2) C50 0.018(3) 0.016(3) 0.019(3) -0.002(2) 0.009(2) 0.002(2) C51 0.024(3) 0.016(3) 0.017(3) 0.002(2) 0.008(2) 0.004(2) C52 0.012(3) 0.018(3) 0.018(3) -0.002(2) 0.005(2) -0.001(2) C53 0.020(3) 0.015(3) 0.020(3) -0.002(2) 0.006(2) 0.002(2) C54 0.013(3) 0.010(3) 0.011(3) -0.002(2) 0.001(2) 0.005(2) C55 0.016(3) 0.012(3) 0.016(3) -0.001(2) 0.005(2) -0.003(2) C56 0.027(3) 0.023(3) 0.015(3) -0.005(2) 0.011(2) -0.001(3) C57 0.028(3) 0.012(3) 0.015(3) -0.003(2) 0.005(2) 0.001(2) C58 0.013(3) 0.008(3) 0.016(3) 0.000(2) 0.002(2) -0.002(2) C59 0.013(3) 0.012(3) 0.013(3) -0.001(2) -0.001(2) -0.001(2) C60 0.026(3) 0.019(3) 0.018(3) -0.004(2) 0.009(2) -0.007(2) C61 0.053(4) 0.017(3) 0.022(3) -0.003(3) 0.022(3) -0.006(3) C62 0.083(6) 0.029(4) 0.038(4) -0.003(3) 0.034(4) -0.014(4) C63 0.068(6) 0.045(5) 0.063(5) -0.012(4) 0.037(5) -0.039(4) C64 0.043(5) 0.067(6) 0.087(6) 0.003(5) 0.031(5) -0.018(4) C65 0.033(4) 0.034(4) 0.059(5) 0.006(3) 0.019(3) -0.007(3) C66 0.017(3) 0.015(3) 0.013(3) -0.001(2) 0.006(2) -0.003(2) C67 0.027(3) 0.007(3) 0.019(3) -0.001(2) 0.010(2) 0.000(2) C68 0.027(3) 0.011(3) 0.021(3) 0.001(2) 0.008(2) -0.001(2) C69 0.018(3) 0.017(3) 0.009(3) -0.002(2) 0.001(2) -0.002(2) C70 0.017(3) 0.013(3) 0.018(3) 0.000(2) 0.004(2) 0.004(2) C71 0.013(3) 0.016(3) 0.014(3) -0.001(2) 0.002(2) -0.002(2) C72 0.019(3) 0.023(3) 0.011(3) 0.001(2) 0.002(2) 0.001(2) Cl1S 0.0606(14) 0.0567(14) 0.182(3) -0.0363(16) 0.0737(17) -0.0066(12) Cl2S 0.0545(11) 0.0404(10) 0.0540(11) -0.0132(9) 0.0286(9) -0.0172(9) C1S 0.026(3) 0.029(4) 0.036(4) 0.000(3) 0.014(3) -0.008(3) Cl3S 0.0645(12) 0.0320(10) 0.0498(11) -0.0027(8) 0.0204(9) -0.0047(9) Cl4S 0.0499(11) 0.0590(12) 0.0506(11) -0.0186(10) 0.0102(9) -0.0002(10) C2S 0.043(4) 0.043(4) 0.041(4) 0.002(3) 0.018(3) -0.011(3) Cl5S 0.107(4) 0.090(4) 0.070(5) -0.010(3) -0.017(5) 0.026(3) Cl6S 0.174(6) 0.109(5) 0.104(4) -0.020(4) 0.102(5) -0.032(4) C1A 0.107(4) 0.090(4) 0.070(5) -0.010(3) -0.017(5) 0.026(3) C3S 0.050(12) 0.081(7) 0.070(8) -0.022(7) 0.030(10) 0.002(8) C8S 0.050(12) 0.081(7) 0.070(8) -0.022(7) 0.030(10) 0.002(8) C9S 0.174(6) 0.109(5) 0.104(4) -0.020(4) 0.102(5) -0.032(4) C10S 0.118(17) 0.129(17) 0.130(12) -0.069(14) 0.082(11) -0.035(13) C11S 0.070(12) 0.074(11) 0.069(8) -0.012(8) 0.017(9) 0.011(9) C1B 0.088(4) 0.085(4) 0.087(4) -0.014(3) 0.011(3) -0.007(3) C4S 0.088(4) 0.085(4) 0.087(4) -0.014(3) 0.011(3) -0.007(3) C5S 0.088(4) 0.085(4) 0.087(4) -0.014(3) 0.011(3) -0.007(3) C5SB 0.088(4) 0.085(4) 0.087(4) -0.014(3) 0.011(3) -0.007(3) C6S 0.088(4) 0.085(4) 0.087(4) -0.014(3) 0.011(3) -0.007(3) C6SB 0.088(4) 0.085(4) 0.087(4) -0.014(3) 0.011(3) -0.007(3) C7S 0.088(4) 0.085(4) 0.087(4) -0.014(3) 0.011(3) -0.007(3) N1 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C76B 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C77 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C73 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C76 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C75 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C78 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C73B 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C74B 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C75B 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C77B 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) C78B 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) N1B 0.068(3) 0.046(2) 0.044(2) 0.0021(18) 0.0193(19) 0.007(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag U1 O2 1.757(3) . ? U1 O1 1.765(3) . ? U1 O7 2.462(3) . ? U1 O5 2.464(3) . ? U1 O4 2.475(3) . ? U1 O3 2.476(3) . ? U1 O8 2.490(3) . ? U1 O6 2.504(3) . ? U1 C1 2.841(5) . ? U1 C2 2.854(5) . ? U1 C3 2.859(5) . ? O3 C1 1.265(6) . ? O4 C1 1.258(6) . ? O5 C2 1.276(6) . ? O6 C2 1.255(6) . ? O7 C3 1.263(6) . ? O8 C3 1.272(5) . ? O9 C22 1.226(6) . ? O10 C53 1.222(6) . ? O11 C72 1.214(6) . ? C1 C4 1.505(6) . ? C2 C35 1.508(7) . ? C3 C54 1.502(7) . ? C4 C5 1.406(7) . ? C4 C9 1.419(7) . ? C5 C6 1.394(7) . ? C5 C10 1.491(7) . ? C6 C7 1.367(7) . ? C6 H6 0.9500 . ? C7 C8 1.384(7) . ? C7 H7 0.9500 . ? C8 C9 1.398(7) . ? C8 H8 0.9500 . ? C9 C16 1.491(7) . ? C10 C15 1.381(8) . ? C10 C11 1.395(7) . ? C11 C12 1.386(8) . ? C11 H11 0.9500 . ? C12 C13 1.377(10) . ? C12 H12 0.9500 . ? C13 C14 1.374(10) . ? C13 H13 0.9500 . ? C14 C15 1.382(9) . ? C14 H14 0.9500 . ? C15 H15 0.9500 . ? C16 C21 1.405(7) . ? C16 C17 1.411(7) . ? C17 C18 1.388(7) . ? C17 H17 0.9500 . ? C18 C19 1.390(7) . ? C18 H18 0.9500 . ? C19 C20 1.389(7) . ? C19 C22 1.488(7) . ? C20 C21 1.379(7) . ? C20 H20 0.9500 . ? C21 H21 0.9500 . ? C22 C23 1.511(7) . ? C23 C28 1.395(7) . ? C23 C24 1.399(7) . ? C24 C25 1.400(7) . ? C24 C30 1.524(7) . ? C25 C26 1.394(7) . ? C25 C53 1.519(7) . ? C26 C27 1.395(7) . ? C26 C32 1.525(7) . ? C27 C28 1.412(7) . ? C27 C72 1.512(7) . ? C28 C34 1.512(7) . ? C29 C30 1.524(7) . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C30 H30A 0.9900 . ? C30 H30B 0.9900 . ? C31 C32 1.544(8) . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C33 C34 1.529(7) . ? C33 H33A 0.9800 . ? C33 H33B 0.9800 . ? C33 H33C 0.9800 . ? C34 H34A 0.9900 . ? C34 H34B 0.9900 . ? C35 C36 1.397(7) . ? C35 C40 1.410(7) . ? C36 C37 1.408(7) . ? C36 C41 1.497(7) . ? C37 C38 1.381(8) . ? C37 H37 0.9500 . ? C38 C39 1.383(8) . ? C38 H38 0.9500 . ? C39 C40 1.400(7) . ? C39 H39 0.9500 . ? C40 C47 1.499(7) . ? C41 C46 1.392(7) . ? C41 C42 1.397(7) . ? C42 C43 1.381(7) . ? C42 H42 0.9500 . ? C43 C44 1.373(8) . ? C43 H43 0.9500 . ? C44 C45 1.378(8) . ? C44 H44 0.9500 . ? C45 C46 1.387(8) . ? C45 H45 0.9500 . ? C46 H46 0.9500 . ? C47 C52 1.397(7) . ? C47 C48 1.401(7) . ? C48 C49 1.377(7) . ? C48 H48 0.9500 . ? C49 C50 1.407(7) . ? C49 H49 0.9500 . ? C50 C51 1.392(7) . ? C50 C53 1.500(7) . ? C51 C52 1.379(7) . ? C51 H51 0.9500 . ? C52 H52 0.9500 . ? C54 C59 1.412(7) . ? C54 C55 1.413(7) . ? C55 C56 1.387(7) . ? C55 C60 1.491(7) . ? C56 C57 1.365(7) . ? C56 H56 0.9500 . ? C57 C58 1.387(7) . ? C57 H57 0.9500 . ? C58 C59 1.397(7) . ? C58 H58 0.9500 . ? C59 C66 1.486(7) . ? C60 C65 1.380(8) . ? C60 C61 1.398(8) . ? C61 C62 1.392(8) . ? C61 H61 0.9500 . ? C62 C63 1.358(10) . ? C62 H62 0.9500 . ? C63 C64 1.388(11) . ? C63 H63 0.9500 . ? C64 C65 1.376(9) . ? C64 H64 0.9500 . ? C65 H65 0.9500 . ? C66 C67 1.398(7) . ? C66 C71 1.401(7) . ? C67 C68 1.378(7) . ? C67 H67 0.9500 . ? C68 C69 1.391(7) . ? C68 H68 0.9500 . ? C69 C70 1.402(7) . ? C69 C72 1.499(7) . ? C70 C71 1.386(7) . ? C70 H70 0.9500 . ? C71 H71 0.9500 . ? Cl1S C1S 1.729(6) . ? Cl2S C1S 1.771(6) . ? C1S H1SA 0.9900 . ? C1S H1SB 0.9900 . ? Cl3S C2S 1.774(7) . ? Cl4S C2S 1.769(7) . ? C2S H2SA 0.9900 . ? C2S H2SB 0.9900 . ? Cl5S C3S 1.743(13) . ? Cl6S C3S 1.759(15) . ? C1A C11S 1.518(19) . ? C1A C8S 1.537(17) . ? C1A H1AA 0.9900 . ? C1A H1AB 0.9900 . ? C3S H3SA 0.9900 . ? C3S H3SB 0.9900 . ? C8S C9S 1.521(17) . ? C8S H8SA 0.9900 . ? C8S H8SB 0.9900 . ? C9S C10S 1.515(17) . ? C9S H9SA 0.9900 . ? C9S H9SB 0.9900 . ? C10S C11S 1.464(16) . ? C10S H10A 0.9900 . ? C10S H10B 0.9900 . ? C11S H11A 0.9900 . ? C11S H11B 0.9900 . ? C1B C4S 1.495(5) . ? C1B C7S 1.501(5) . ? C1B H1BA 0.9900 . ? C1B H1BB 0.9900 . ? C4S C5S 1.497(5) . ? C4S C5SB 1.509(5) . ? C4S H4SA 0.9900 . ? C4S H4SB 0.9900 . ? C4S H4SC 0.9900 . ? C4S H4SD 0.9900 . ? C5S C6S 1.506(5) . ? C5S H5SA 0.9900 . ? C5S H5SB 0.9900 . ? C5SB C6SB 1.502(5) . ? C5SB H5SC 0.9900 . ? C5SB H5SD 0.9900 . ? C6S C7S 1.486(5) . ? C6S H6SA 0.9900 . ? C6S H6SB 0.9900 . ? C6SB C7S 1.506(5) . ? C6SB H6SC 0.9900 . ? C6SB H6SD 0.9900 . ? C7S H7SA 0.9900 . ? C7S H7SB 0.9900 . ? C7S H7SC 0.9900 . ? C7S H7SD 0.9900 . ? N1 C77B 1.286(18) . ? N1 C75 1.438(16) . ? N1 C73B 1.483(17) . ? N1 C73 1.509(12) . ? N1 C75B 1.65(2) . ? N1 C77 1.665(17) . ? N1 H1A 1.0000 . ? N1 H1B 1.0000 . ? C76B C75B 1.52(2) . ? C76B C73 1.561(14) . ? C76B H76A 0.9800 . ? C76B H76B 0.9800 . ? C76B H76C 0.9800 . ? C76B H76D 0.9800 . ? C76B H76E 0.9800 . ? C76B H76F 0.9800 . ? C77 C78 1.485(18) . ? C77 H77A 0.9900 . ? C77 H77B 0.9900 . ? C73 H73A 0.9900 . ? C73 H73B 0.9900 . ? C76 C75 1.46(2) . ? C76 H76G 0.9800 . ? C76 H76H 0.9800 . ? C76 H76I 0.9800 . ? C75 H75A 0.9900 . ? C75 H75B 0.9900 . ? C78 H78A 0.9800 . ? C78 H78B 0.9800 . ? C78 H78C 0.9800 . ? C73B C74B 1.53(2) . ? C73B H73C 0.9900 . ? C73B H73D 0.9900 . ? C74B H74A 0.9800 . ? C74B H74B 0.9800 . ? C74B H74C 0.9800 . ? C75B H75C 0.9900 . ? C75B H75D 0.9900 . ? C77B C78B 1.46(3) . ? C77B H77C 0.9900 . ? C77B H77D 0.9900 . ? C78B H78D 0.9800 . ? C78B H78E 0.9800 . ? C78B H78F 0.9800 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O2 U1 O1 179.77(16) . . ? O2 U1 O7 87.13(13) . . ? O1 U1 O7 93.01(13) . . ? O2 U1 O5 87.28(14) . . ? O1 U1 O5 92.80(13) . . ? O7 U1 O5 123.00(11) . . ? O2 U1 O4 92.47(14) . . ? O1 U1 O4 87.37(13) . . ? O7 U1 O4 171.45(11) . . ? O5 U1 O4 65.48(11) . . ? O2 U1 O3 89.52(13) . . ? O1 U1 O3 90.25(13) . . ? O7 U1 O3 118.83(11) . . ? O5 U1 O3 117.79(11) . . ? O4 U1 O3 52.62(11) . . ? O2 U1 O8 92.15(14) . . ? O1 U1 O8 87.79(14) . . ? O7 U1 O8 52.51(10) . . ? O5 U1 O8 175.50(10) . . ? O4 U1 O8 119.01(11) . . ? O3 U1 O8 66.65(10) . . ? O2 U1 O6 93.28(13) . . ? O1 U1 O6 86.95(13) . . ? O7 U1 O6 71.26(11) . . ? O5 U1 O6 52.54(10) . . ? O4 U1 O6 117.28(11) . . ? O3 U1 O6 169.69(11) . . ? O8 U1 O6 123.08(10) . . ? O2 U1 C1 91.36(14) . . ? O1 U1 C1 88.42(14) . . ? O7 U1 C1 145.23(14) . . ? O5 U1 C1 91.58(14) . . ? O4 U1 C1 26.23(13) . . ? O3 U1 C1 26.39(13) . . ? O8 U1 C1 92.89(14) . . ? O6 U1 C1 143.46(14) . . ? O2 U1 C2 90.01(15) . . ? O1 U1 C2 90.16(15) . . ? O7 U1 C2 96.89(13) . . ? O5 U1 C2 26.49(12) . . ? O4 U1 C2 91.65(13) . . ? O3 U1 C2 144.20(13) . . ? O8 U1 C2 149.11(12) . . ? O6 U1 C2 26.06(12) . . ? C1 U1 C2 117.86(15) . . ? O2 U1 C3 89.84(15) . . ? O1 U1 C3 90.20(15) . . ? O7 U1 C3 26.13(12) . . ? O5 U1 C3 149.12(12) . . ? O4 U1 C3 145.39(13) . . ? O3 U1 C3 92.90(12) . . ? O8 U1 C3 26.38(12) . . ? O6 U1 C3 97.02(12) . . ? C1 U1 C3 119.23(15) . . ? C2 U1 C3 122.89(14) . . ? C1 O3 U1 93.1(3) . . ? C1 O4 U1 93.3(3) . . ? C2 O5 U1 94.1(3) . . ? C2 O6 U1 92.8(3) . . ? C3 O7 U1 94.7(3) . . ? C3 O8 U1 93.2(3) . . ? O4 C1 O3 120.9(4) . . ? O4 C1 C4 119.4(5) . . ? O3 C1 C4 119.7(5) . . ? O4 C1 U1 60.4(2) . . ? O3 C1 U1 60.5(2) . . ? C4 C1 U1 179.8(4) . . ? O6 C2 O5 120.6(5) . . ? O6 C2 C35 122.1(4) . . ? O5 C2 C35 117.3(4) . . ? O6 C2 U1 61.2(3) . . ? O5 C2 U1 59.4(2) . . ? C35 C2 U1 176.2(3) . . ? O7 C3 O8 119.6(4) . . ? O7 C3 C54 121.3(4) . . ? O8 C3 C54 119.1(4) . . ? O7 C3 U1 59.1(2) . . ? O8 C3 U1 60.4(2) . . ? C54 C3 U1 179.5(4) . . ? C5 C4 C9 121.2(4) . . ? C5 C4 C1 118.2(4) . . ? C9 C4 C1 120.6(4) . . ? C6 C5 C4 118.3(5) . . ? C6 C5 C10 119.5(5) . . ? C4 C5 C10 122.2(4) . . ? C7 C6 C5 121.4(5) . . ? C7 C6 H6 119.3 . . ? C5 C6 H6 119.3 . . ? C6 C7 C8 120.2(5) . . ? C6 C7 H7 119.9 . . ? C8 C7 H7 119.9 . . ? C7 C8 C9 121.5(5) . . ? C7 C8 H8 119.2 . . ? C9 C8 H8 119.2 . . ? C8 C9 C4 117.3(5) . . ? C8 C9 C16 119.5(5) . . ? C4 C9 C16 123.0(4) . . ? C15 C10 C11 117.4(5) . . ? C15 C10 C5 120.5(5) . . ? C11 C10 C5 122.0(5) . . ? C12 C11 C10 122.1(6) . . ? C12 C11 H11 119.0 . . ? C10 C11 H11 119.0 . . ? C13 C12 C11 118.9(6) . . ? C13 C12 H12 120.6 . . ? C11 C12 H12 120.6 . . ? C14 C13 C12 120.1(7) . . ? C14 C13 H13 120.0 . . ? C12 C13 H13 120.0 . . ? C13 C14 C15 120.6(7) . . ? C13 C14 H14 119.7 . . ? C15 C14 H14 119.7 . . ? C10 C15 C14 121.0(6) . . ? C10 C15 H15 119.5 . . ? C14 C15 H15 119.5 . . ? C21 C16 C17 117.4(5) . . ? C21 C16 C9 121.7(5) . . ? C17 C16 C9 120.7(5) . . ? C18 C17 C16 120.6(5) . . ? C18 C17 H17 119.7 . . ? C16 C17 H17 119.7 . . ? C17 C18 C19 121.1(5) . . ? C17 C18 H18 119.5 . . ? C19 C18 H18 119.5 . . ? C20 C19 C18 118.4(5) . . ? C20 C19 C22 121.1(5) . . ? C18 C19 C22 120.4(5) . . ? C21 C20 C19 121.2(5) . . ? C21 C20 H20 119.4 . . ? C19 C20 H20 119.4 . . ? C20 C21 C16 121.1(5) . . ? C20 C21 H21 119.4 . . ? C16 C21 H21 119.4 . . ? O9 C22 C19 121.7(5) . . ? O9 C22 C23 121.3(5) . . ? C19 C22 C23 117.0(4) . . ? C28 C23 C24 121.7(5) . . ? C28 C23 C22 120.1(5) . . ? C24 C23 C22 117.7(5) . . ? C23 C24 C25 118.4(5) . . ? C23 C24 C30 121.1(5) . . ? C25 C24 C30 120.5(5) . . ? C26 C25 C24 121.8(5) . . ? C26 C25 C53 117.5(4) . . ? C24 C25 C53 120.2(5) . . ? C25 C26 C27 118.1(5) . . ? C25 C26 C32 121.0(5) . . ? C27 C26 C32 120.8(5) . . ? C26 C27 C28 121.8(5) . . ? C26 C27 C72 120.0(4) . . ? C28 C27 C72 118.1(5) . . ? C23 C28 C27 118.0(5) . . ? C23 C28 C34 121.4(4) . . ? C27 C28 C34 120.6(5) . . ? C30 C29 H29A 109.5 . . ? C30 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C30 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C29 C30 C24 110.8(5) . . ? C29 C30 H30A 109.5 . . ? C24 C30 H30A 109.5 . . ? C29 C30 H30B 109.5 . . ? C24 C30 H30B 109.5 . . ? H30A C30 H30B 108.1 . . ? C32 C31 H31A 109.5 . . ? C32 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? C32 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C26 C32 C31 110.7(4) . . ? C26 C32 H32A 109.5 . . ? C31 C32 H32A 109.5 . . ? C26 C32 H32B 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 108.1 . . ? C34 C33 H33A 109.5 . . ? C34 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C34 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? C28 C34 C33 111.6(4) . . ? C28 C34 H34A 109.3 . . ? C33 C34 H34A 109.3 . . ? C28 C34 H34B 109.3 . . ? C33 C34 H34B 109.3 . . ? H34A C34 H34B 108.0 . . ? C36 C35 C40 121.5(5) . . ? C36 C35 C2 118.6(5) . . ? C40 C35 C2 119.9(5) . . ? C35 C36 C37 117.8(5) . . ? C35 C36 C41 124.2(5) . . ? C37 C36 C41 118.0(5) . . ? C38 C37 C36 121.1(5) . . ? C38 C37 H37 119.4 . . ? C36 C37 H37 119.4 . . ? C37 C38 C39 120.6(5) . . ? C37 C38 H38 119.7 . . ? C39 C38 H38 119.7 . . ? C38 C39 C40 120.3(5) . . ? C38 C39 H39 119.9 . . ? C40 C39 H39 119.9 . . ? C39 C40 C35 118.6(5) . . ? C39 C40 C47 118.3(5) . . ? C35 C40 C47 123.1(5) . . ? C46 C41 C42 117.1(5) . . ? C46 C41 C36 120.6(5) . . ? C42 C41 C36 122.3(5) . . ? C43 C42 C41 121.2(5) . . ? C43 C42 H42 119.4 . . ? C41 C42 H42 119.4 . . ? C44 C43 C42 121.0(5) . . ? C44 C43 H43 119.5 . . ? C42 C43 H43 119.5 . . ? C43 C44 C45 118.7(5) . . ? C43 C44 H44 120.6 . . ? C45 C44 H44 120.6 . . ? C44 C45 C46 120.8(5) . . ? C44 C45 H45 119.6 . . ? C46 C45 H45 119.6 . . ? C45 C46 C41 121.1(5) . . ? C45 C46 H46 119.5 . . ? C41 C46 H46 119.5 . . ? C52 C47 C48 117.2(5) . . ? C52 C47 C40 122.3(5) . . ? C48 C47 C40 120.4(5) . . ? C49 C48 C47 121.8(5) . . ? C49 C48 H48 119.1 . . ? C47 C48 H48 119.1 . . ? C48 C49 C50 120.4(5) . . ? C48 C49 H49 119.8 . . ? C50 C49 H49 119.8 . . ? C51 C50 C49 117.9(5) . . ? C51 C50 C53 122.6(5) . . ? C49 C50 C53 119.4(5) . . ? C52 C51 C50 121.2(5) . . ? C52 C51 H51 119.4 . . ? C50 C51 H51 119.4 . . ? C51 C52 C47 121.4(5) . . ? C51 C52 H52 119.3 . . ? C47 C52 H52 119.3 . . ? O10 C53 C50 121.4(5) . . ? O10 C53 C25 122.5(5) . . ? C50 C53 C25 116.0(4) . . ? C59 C54 C55 120.6(5) . . ? C59 C54 C3 121.6(4) . . ? C55 C54 C3 117.7(4) . . ? C56 C55 C54 118.4(5) . . ? C56 C55 C60 120.4(5) . . ? C54 C55 C60 121.2(5) . . ? C57 C56 C55 121.6(5) . . ? C57 C56 H56 119.2 . . ? C55 C56 H56 119.2 . . ? C56 C57 C58 120.1(5) . . ? C56 C57 H57 119.9 . . ? C58 C57 H57 119.9 . . ? C57 C58 C59 121.0(5) . . ? C57 C58 H58 119.5 . . ? C59 C58 H58 119.5 . . ? C58 C59 C54 118.0(5) . . ? C58 C59 C66 119.1(5) . . ? C54 C59 C66 122.8(4) . . ? C65 C60 C61 119.1(6) . . ? C65 C60 C55 120.3(5) . . ? C61 C60 C55 120.6(5) . . ? C62 C61 C60 119.3(6) . . ? C62 C61 H61 120.3 . . ? C60 C61 H61 120.3 . . ? C63 C62 C61 121.1(7) . . ? C63 C62 H62 119.4 . . ? C61 C62 H62 119.4 . . ? C62 C63 C64 119.4(7) . . ? C62 C63 H63 120.3 . . ? C64 C63 H63 120.3 . . ? C65 C64 C63 120.4(7) . . ? C65 C64 H64 119.8 . . ? C63 C64 H64 119.8 . . ? C64 C65 C60 120.5(7) . . ? C64 C65 H65 119.7 . . ? C60 C65 H65 119.7 . . ? C67 C66 C71 117.7(5) . . ? C67 C66 C59 118.6(5) . . ? C71 C66 C59 123.7(5) . . ? C68 C67 C66 121.2(5) . . ? C68 C67 H67 119.4 . . ? C66 C67 H67 119.4 . . ? C67 C68 C69 121.2(5) . . ? C67 C68 H68 119.4 . . ? C69 C68 H68 119.4 . . ? C68 C69 C70 118.1(5) . . ? C68 C69 C72 119.3(5) . . ? C70 C69 C72 122.6(5) . . ? C71 C70 C69 120.7(5) . . ? C71 C70 H70 119.7 . . ? C69 C70 H70 119.7 . . ? C70 C71 C66 121.0(5) . . ? C70 C71 H71 119.5 . . ? C66 C71 H71 119.5 . . ? O11 C72 C69 121.3(5) . . ? O11 C72 C27 121.9(5) . . ? C69 C72 C27 116.8(5) . . ? Cl1S C1S Cl2S 110.7(3) . . ? Cl1S C1S H1SA 109.5 . . ? Cl2S C1S H1SA 109.5 . . ? Cl1S C1S H1SB 109.5 . . ? Cl2S C1S H1SB 109.5 . . ? H1SA C1S H1SB 108.1 . . ? Cl4S C2S Cl3S 111.1(4) . . ? Cl4S C2S H2SA 109.4 . . ? Cl3S C2S H2SA 109.4 . . ? Cl4S C2S H2SB 109.4 . . ? Cl3S C2S H2SB 109.4 . . ? H2SA C2S H2SB 108.0 . . ? C11S C1A C8S 106.8(18) . . ? C11S C1A H1AA 110.4 . . ? C8S C1A H1AA 110.4 . . ? C11S C1A H1AB 110.4 . . ? C8S C1A H1AB 110.4 . . ? H1AA C1A H1AB 108.6 . . ? Cl5S C3S Cl6S 115.0(10) . . ? Cl5S C3S H3SA 108.5 . . ? Cl6S C3S H3SA 108.5 . . ? Cl5S C3S H3SB 108.5 . . ? Cl6S C3S H3SB 108.5 . . ? H3SA C3S H3SB 107.5 . . ? C9S C8S C1A 106.1(17) . . ? C9S C8S H8SA 110.5 . . ? C1A C8S H8SA 110.5 . . ? C9S C8S H8SB 110.5 . . ? C1A C8S H8SB 110.5 . . ? H8SA C8S H8SB 108.7 . . ? C10S C9S C8S 102.8(17) . . ? C10S C9S H9SA 111.2 . . ? C8S C9S H9SA 111.2 . . ? C10S C9S H9SB 111.2 . . ? C8S C9S H9SB 111.2 . . ? H9SA C9S H9SB 109.1 . . ? C11S C10S C9S 107.6(16) . . ? C11S C10S H10A 110.2 . . ? C9S C10S H10A 110.2 . . ? C11S C10S H10B 110.2 . . ? C9S C10S H10B 110.2 . . ? H10A C10S H10B 108.5 . . ? C10S C11S C1A 102(2) . . ? C10S C11S H11A 111.4 . . ? C1A C11S H11A 111.4 . . ? C10S C11S H11B 111.4 . . ? C1A C11S H11B 111.4 . . ? H11A C11S H11B 109.2 . . ? C4S C1B C7S 101.6(7) . . ? C4S C1B H1BA 111.4 . . ? C7S C1B H1BA 111.4 . . ? C4S C1B H1BB 111.4 . . ? C7S C1B H1BB 111.4 . . ? H1BA C1B H1BB 109.3 . . ? C1B C4S C5S 98.4(8) . . ? C1B C4S C5SB 104.2(12) . . ? C1B C4S H4SA 112.1 . . ? C5S C4S H4SA 112.1 . . ? C1B C4S H4SB 112.1 . . ? C5S C4S H4SB 112.1 . . ? H4SA C4S H4SB 109.7 . . ? C1B C4S H4SC 110.9 . . ? C5SB C4S H4SC 110.9 . . ? C1B C4S H4SD 110.9 . . ? C5SB C4S H4SD 110.9 . . ? H4SC C4S H4SD 108.9 . . ? C4S C5S C6S 107.0(9) . . ? C4S C5S H5SA 110.3 . . ? C6S C5S H5SA 110.3 . . ? C4S C5S H5SB 110.3 . . ? C6S C5S H5SB 110.3 . . ? H5SA C5S H5SB 108.6 . . ? C6SB C5SB C4S 119.6(16) . . ? C6SB C5SB H5SC 107.4 . . ? C4S C5SB H5SC 107.4 . . ? C6SB C5SB H5SD 107.4 . . ? C4S C5SB H5SD 107.4 . . ? H5SC C5SB H5SD 107.0 . . ? C7S C6S C5S 104.8(9) . . ? C7S C6S H6SA 110.8 . . ? C5S C6S H6SA 110.8 . . ? C7S C6S H6SB 110.8 . . ? C5S C6S H6SB 110.8 . . ? H6SA C6S H6SB 108.9 . . ? C5SB C6SB C7S 92.4(14) . . ? C5SB C6SB H6SC 113.2 . . ? C7S C6SB H6SC 113.2 . . ? C5SB C6SB H6SD 113.2 . . ? C7S C6SB H6SD 113.2 . . ? H6SC C6SB H6SD 110.6 . . ? C6S C7S C1B 99.5(9) . . ? C1B C7S C6SB 121.8(10) . . ? C6S C7S H7SA 111.9 . . ? C1B C7S H7SA 111.9 . . ? C6S C7S H7SB 111.9 . . ? C1B C7S H7SB 111.9 . . ? H7SA C7S H7SB 109.6 . . ? C1B C7S H7SC 106.9 . . ? C6SB C7S H7SC 106.9 . . ? C1B C7S H7SD 106.9 . . ? C6SB C7S H7SD 106.9 . . ? H7SC C7S H7SD 106.7 . . ? C77B N1 C73B 114.6(12) . . ? C75 N1 C73 108.9(9) . . ? C77B N1 C75B 111.5(12) . . ? C73B N1 C75B 91.7(11) . . ? C75 N1 C77 118.7(10) . . ? C73 N1 C77 111.3(8) . . ? C75 N1 H1A 105.6 . . ? C73 N1 H1A 105.6 . . ? C77 N1 H1A 105.6 . . ? C77B N1 H1B 112.5 . . ? C73B N1 H1B 112.5 . . ? C75B N1 H1B 112.5 . . ? C73 C76B H76A 109.5 . . ? C73 C76B H76B 109.5 . . ? H76A C76B H76B 109.5 . . ? C73 C76B H76C 109.5 . . ? H76A C76B H76C 109.5 . . ? H76B C76B H76C 109.5 . . ? C75B C76B H76D 109.5 . . ? C75B C76B H76E 109.5 . . ? H76D C76B H76E 109.5 . . ? C75B C76B H76F 109.5 . . ? H76D C76B H76F 109.5 . . ? H76E C76B H76F 109.5 . . ? C78 C77 N1 102.8(11) . . ? C78 C77 H77A 111.2 . . ? N1 C77 H77A 111.2 . . ? C78 C77 H77B 111.2 . . ? N1 C77 H77B 111.2 . . ? H77A C77 H77B 109.1 . . ? N1 C73 C76B 107.3(8) . . ? N1 C73 H73A 110.3 . . ? C76B C73 H73A 110.3 . . ? N1 C73 H73B 110.3 . . ? C76B C73 H73B 110.3 . . ? H73A C73 H73B 108.5 . . ? C75 C76 H76G 109.5 . . ? C75 C76 H76H 109.5 . . ? H76G C76 H76H 109.5 . . ? C75 C76 H76I 109.5 . . ? H76G C76 H76I 109.5 . . ? H76H C76 H76I 109.5 . . ? N1 C75 C76 115.7(14) . . ? N1 C75 H75A 108.4 . . ? C76 C75 H75A 108.4 . . ? N1 C75 H75B 108.4 . . ? C76 C75 H75B 108.4 . . ? H75A C75 H75B 107.4 . . ? C77 C78 H78A 109.5 . . ? C77 C78 H78B 109.5 . . ? H78A C78 H78B 109.5 . . ? C77 C78 H78C 109.5 . . ? H78A C78 H78C 109.5 . . ? H78B C78 H78C 109.5 . . ? N1 C73B C74B 120.3(12) . . ? N1 C73B H73C 107.3 . . ? C74B C73B H73C 107.3 . . ? N1 C73B H73D 107.3 . . ? C74B C73B H73D 107.3 . . ? H73C C73B H73D 106.9 . . ? C73B C74B H74A 109.5 . . ? C73B C74B H74B 109.5 . . ? H74A C74B H74B 109.5 . . ? C73B C74B H74C 109.5 . . ? H74A C74B H74C 109.5 . . ? H74B C74B H74C 109.5 . . ? C76B C75B N1 102.1(13) . . ? C76B C75B H75C 111.3 . . ? N1 C75B H75C 111.3 . . ? C76B C75B H75D 111.3 . . ? N1 C75B H75D 111.3 . . ? H75C C75B H75D 109.2 . . ? N1 C77B C78B 95.9(13) . . ? N1 C77B H77C 112.6 . . ? C78B C77B H77C 112.6 . . ? N1 C77B H77D 112.6 . . ? C78B C77B H77D 112.6 . . ? H77C C77B H77D 110.1 . . ? C77B C78B H78D 109.5 . . ? C77B C78B H78E 109.5 . . ? H78D C78B H78E 109.5 . . ? C77B C78B H78F 109.5 . . ? H78D C78B H78F 109.5 . . ? H78E C78B H78F 109.5 . . ? _refine_diff_density_max 1.222 _refine_diff_density_min -1.235 _refine_diff_density_rms 0.132 _database_code_depnum_ccdc_archive 'CCDC 930588' ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_final_04 _audit_creation_date 2013-05-23 _audit_creation_method ; Olex2 1.2-beta (compiled Apr 23 2013 17:59:47, GUI svn.r4466) ; _chemical_name_common ? _chemical_name_systematic ; ? ; _chemical_formula_moiety 'C72 H57 O8 U, C6 H16 N, 4(C H4 O)' _chemical_formula_sum 'C82 H89 N O12 U' _chemical_formula_weight 1518.57 _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 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' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' U U -4.3638 13.4090 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/n 1' _space_group_name_Hall '-P 2yn' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 14.2622(12) _cell_length_b 18.6958(15) _cell_length_c 26.384(2) _cell_angle_alpha 90 _cell_angle_beta 93.484(3) _cell_angle_gamma 90 _cell_volume 7022.2(10) _cell_formula_units_Z 4 _cell_measurement_reflns_used 9903 _cell_measurement_temperature 100 _cell_measurement_theta_max 66.810 _cell_measurement_theta_min 5.960 _exptl_absorpt_coefficient_mu 7.021 _exptl_absorpt_correction_T_max 0.7529 _exptl_absorpt_correction_T_min 0.4520 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.1230 before and 0.0409 after correction. The Ratio of minimum to maximum transmission is 0.6003. The \l/2 correction factor is 0.0015. ; _exptl_crystal_colour Colorless _exptl_crystal_colour_primary Colorless _exptl_crystal_density_diffrn 1.436 _exptl_crystal_density_meas . _exptl_crystal_density_method ? _exptl_crystal_description Rod _exptl_crystal_F_000 3104 _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.05 _exptl_special_details ; ? ; _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0302 _diffrn_reflns_av_unetI/netI 0.0223 _diffrn_reflns_Laue_measured_fraction_full 0.967 _diffrn_reflns_Laue_measured_fraction_max 0.985 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_number 56112 _diffrn_reflns_point_group_measured_fraction_full 0.967 _diffrn_reflns_point_group_measured_fraction_max 0.985 _diffrn_reflns_theta_full 68.000 _diffrn_reflns_theta_max 67.167 _diffrn_reflns_theta_min 2.899 _diffrn_ambient_temperature 100.0 _diffrn_detector 'Bruker APEX-II CCD' _diffrn_detector_area_resol_mean 7.9 _diffrn_detector_type 'CCD Area Detector' _diffrn_measured_fraction_theta_full 0.967 _diffrn_measured_fraction_theta_max 0.985 _diffrn_measurement_device 'Kappa Four-Circle Diffractometer' _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator 'Double Bounce Multilayer Mirror' _diffrn_radiation_probe X-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_xray_symbol K-L~3~ _diffrn_source 'Micro Focus Sealed Tube' _diffrn_source_type 'Bruker/Incotec Imus' _diffrn_standards_number 0 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 11660 _reflns_number_total 12372 _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 'SAINT v7.68A (Bruker, 2009)' _computing_data_collection 'Bruker APEX2 v2011.4-0 (Bruker, 2011)' _computing_data_reduction 'SAINT v7.68A (Bruker, 2009)' _computing_molecular_graphics ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_publication_material ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_structure_refinement ; SHELXL-2012, G.M. Sheldrick, Acta Cryst. (2008). A64, 112-122 ; _computing_structure_solution 'Bruker APEX2 v2011.4-0 (Bruker, 2011)' _refine_diff_density_max 0.848 _refine_diff_density_min -0.825 _refine_diff_density_rms 0.071 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.062 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 900 _refine_ls_number_reflns 12372 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0246 _refine_ls_R_factor_gt 0.0228 _refine_ls_restrained_S_all 1.062 _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^)+(0.0283P)^2^+7.4709P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0559 _refine_ls_wR_factor_ref 0.0568 _refine_special_details ; ? ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups, All N(H) groups At 1.5 times of: All C(H,H,H) groups, All C(H,H,H,H,H,H) groups, All O(H) groups 2. Restrained distances N1B-C75B 1.5 with sigma of 0.02 3. Uiso/Uaniso restraints and constraints Uanis(O4S) = Uanis(O4SB) Uanis(C73B) = Uanis(C73) Uanis(N1B) = Uanis(N1) Uanis(C77) = Uanis(C77B) Uanis(C75B) = Uanis(C75) Uanis(C76) = Uanis(C76B) 4. Others Sof(H4SD)=Sof(H4SE)=Sof(H4SF)=Sof(O4SB)=Sof(H4SG)=1-FVAR(1) Sof(H4SA)=Sof(H4SB)=Sof(H4SC)=Sof(O4S)=Sof(H4S)=FVAR(1) Sof(H74D)=Sof(H74E)=Sof(H74F)=Sof(H78D)=Sof(H78E)=Sof(H78F)=Sof(N1B)=Sof(H1B)= Sof(C75B)=Sof(H75C)=Sof(H75D)=Sof(C76B)=Sof(H76D)=Sof(H76E)=Sof(H76F)= Sof(C77B)=Sof(H77C)=Sof(H77D)=Sof(C73B)=Sof(H73C)=Sof(H73D)=1-FVAR(2) Sof(N1)=Sof(H1)=Sof(H74A)=Sof(H74B)=Sof(H74C)=Sof(C73)=Sof(H73A)=Sof(H73B)= Sof(C75)=Sof(H75A)=Sof(H75B)=Sof(C76)=Sof(H76A)=Sof(H76B)=Sof(H76C)=Sof(H78A)= Sof(H78B)=Sof(H78C)=Sof(C77)=Sof(H77A)=Sof(H77B)=FVAR(2) 5.a Ternary CH refined with riding coordinates: N1(H1), N1B(H1B) 5.b Secondary CH2 refined with riding coordinates: C12(H12A,H12B), C16(H16A,H16B), C38(H38A,H38B), C59(H59A,H59B), C61(H61A, H61B), C63(H63A,H63B), C73(H73A,H73B), C75(H75A,H75B), C77(H77A,H77B), C75B(H75C,H75D), C77B(H77C,H77D), C73B(H73C,H73D) 5.c Me refined with riding coordinates: C4S(H4SA,H4SB,H4SC), C4S(H4SD,H4SE,H4SF) 5.d Aromatic/amide H refined with riding coordinates: C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C18(H18), C19(H19), C21(H21), C22(H22), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34), C40(H40), C41(H41), C43(H43), C44(H44), C46(H46), C47(H47), C48(H48), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C65(H65), C66(H66), C68(H68), C69(H69), C70(H70), C71(H71), C72(H72) 5.e Idealised Me refined as rotating group: C60(H60A,H60B,H60C), C62(H62A,H62B,H62C), C64(H64A,H64B,H64C), C3S(H3SA,H3SB, H3SC), C74(H74A,H74B,H74C), C74(H74D,H74E,H74F), C76(H76A,H76B,H76C), C78(H78A, H78B,H78C), C78(H78D,H78E,H78F), C2S(H2SA,H2SB,H2SC), C1S(H1SA,H1SB,H1SC), C76B(H76D,H76E,H76F) 5.f Idealised tetrahedral OH refined as rotating group: O3S(H3S), O2S(H2S), O1S(H1S), O4S(H4S), O4SB(H4SG) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group U1 U 0.10294(2) 0.19234(2) 0.20221(2) 0.01418(4) Uani 1 1 d . . . . . O2 O 0.12819(13) 0.15824(10) 0.14157(7) 0.0210(4) Uani 1 1 d . . . . . O3 O 0.07081(12) 0.06627(9) 0.22966(7) 0.0201(4) Uani 1 1 d . . . . . O6 O 0.10540(13) 0.31817(10) 0.16892(7) 0.0196(4) Uani 1 1 d . . . . . O5 O -0.02960(12) 0.26270(9) 0.16673(7) 0.0188(4) Uani 1 1 d . . . . . O8 O 0.24381(12) 0.13517(9) 0.24428(7) 0.0181(4) Uani 1 1 d . . . . . O7 O 0.26359(12) 0.24144(9) 0.21101(6) 0.0170(4) Uani 1 1 d . . . . . O4 O -0.04829(12) 0.12637(9) 0.19608(7) 0.0189(4) Uani 1 1 d . . . . . O1 O 0.07766(12) 0.22606(10) 0.26310(7) 0.0191(4) Uani 1 1 d . . . . . O3S O 0.26274(18) -0.05661(12) 0.48992(9) 0.0415(6) Uani 1 1 d . . . . . H3S H 0.2694 -0.0813 0.4638 0.062 Uiso 1 1 calc R U . . . O2S O 0.23598(15) 0.35579(11) 0.09551(8) 0.0318(5) Uani 1 1 d . . . . . H2S H 0.1918 0.3515 0.1149 0.048 Uiso 1 1 calc R U . . . O1S O -0.28665(17) 0.26748(13) 0.09635(9) 0.0410(6) Uani 1 1 d . . . . . H1S H -0.2648 0.2291 0.1086 0.062 Uiso 1 1 calc R U . . . N1 N 0.2049(2) -0.02304(16) 0.28419(12) 0.0270(7) Uani 0.829(3) 1 d . . P A 1 H1 H 0.1616 0.0087 0.2631 0.032 Uiso 0.829(3) 1 calc R U P A 1 C1 C -0.01519(18) 0.06862(14) 0.21498(9) 0.0168(5) Uani 1 1 d . . . . . C2 C -0.07676(17) 0.00393(14) 0.21836(10) 0.0179(5) Uani 1 1 d . . . . . C3 C -0.06910(18) -0.05060(14) 0.18206(10) 0.0194(5) Uani 1 1 d . . . . . C4 C -0.12325(19) -0.11241(15) 0.18632(11) 0.0227(6) Uani 1 1 d . . . . . H4 H -0.1167 -0.1506 0.1630 0.027 Uiso 1 1 calc R U . . . C5 C -0.1862(2) -0.11891(15) 0.22388(11) 0.0257(6) Uani 1 1 d . . . . . H5 H -0.2239 -0.1606 0.2256 0.031 Uiso 1 1 calc R U . . . C6 C -0.19396(19) -0.06462(15) 0.25881(10) 0.0232(6) Uani 1 1 d . . . . . H6 H -0.2381 -0.0692 0.2842 0.028 Uiso 1 1 calc R U . . . C7 C -0.13852(18) -0.00308(14) 0.25783(10) 0.0198(5) Uani 1 1 d . . . . . C8 C -0.14329(18) 0.04815(15) 0.30108(10) 0.0200(5) Uani 1 1 d . . . . . C9 C -0.15056(19) 0.12230(15) 0.29644(11) 0.0224(6) Uani 1 1 d . . . . . H9 H -0.1524 0.1437 0.2637 0.027 Uiso 1 1 calc R U . . . C10 C -0.15521(19) 0.16527(15) 0.33931(11) 0.0228(6) Uani 1 1 d . . . . . H10 H -0.1585 0.2157 0.3353 0.027 Uiso 1 1 calc R U . . . C11 C -0.15520(18) 0.13623(15) 0.38801(10) 0.0216(6) Uani 1 1 d . . . . . C12 C -0.1584(2) 0.18247(15) 0.43530(11) 0.0230(6) Uani 1 1 d . . . . . H12A H -0.1484 0.1519 0.4658 0.028 Uiso 1 1 calc R U . . . H12B H -0.2215 0.2044 0.4362 0.028 Uiso 1 1 calc R U . . . C13 C -0.08458(18) 0.24147(14) 0.43710(10) 0.0192(5) Uani 1 1 d . . . . . C14 C -0.10731(19) 0.31085(14) 0.42024(10) 0.0200(6) Uani 1 1 d . . . . . C15 C -0.03609(19) 0.36313(14) 0.41910(9) 0.0194(5) Uani 1 1 d . . . . . C16 C -0.05755(19) 0.43509(14) 0.39393(10) 0.0211(6) Uani 1 1 d . . . . . H16A H -0.0130 0.4712 0.4086 0.025 Uiso 1 1 calc R U . . . H16B H -0.1217 0.4501 0.4016 0.025 Uiso 1 1 calc R U . . . C17 C -0.05071(18) 0.43329(14) 0.33625(10) 0.0198(5) Uani 1 1 d . . . . . C18 C -0.05837(19) 0.37035(15) 0.30786(10) 0.0219(6) Uani 1 1 d . . . . . H18 H -0.0618 0.3258 0.3250 0.026 Uiso 1 1 calc R U . . . C19 C -0.06117(18) 0.37125(14) 0.25541(10) 0.0201(5) Uani 1 1 d . . . . . H19 H -0.0693 0.3275 0.2373 0.024 Uiso 1 1 calc R U . . . C20 C -0.05235(18) 0.43496(14) 0.22837(10) 0.0194(5) Uani 1 1 d . . . . . C21 C -0.03921(19) 0.49748(14) 0.25708(10) 0.0218(6) Uani 1 1 d . . . . . H21 H -0.0296 0.5415 0.2402 0.026 Uiso 1 1 calc R U . . . C22 C -0.03990(19) 0.49666(15) 0.30961(11) 0.0225(6) Uani 1 1 d . . . . . H22 H -0.0328 0.5404 0.3278 0.027 Uiso 1 1 calc R U . . . C23 C -0.06100(18) 0.43917(14) 0.17145(10) 0.0199(5) Uani 1 1 d . . . . . C24 C -0.03148(17) 0.38518(14) 0.13908(10) 0.0177(5) Uani 1 1 d . . . . . C25 C -0.04372(18) 0.39230(15) 0.08584(10) 0.0217(6) Uani 1 1 d . . . . . C26 C -0.01605(19) 0.33482(15) 0.05032(10) 0.0230(6) Uani 1 1 d . . . . . C27 C -0.0538(2) 0.26616(16) 0.05256(11) 0.0284(6) Uani 1 1 d . . . . . H27 H -0.0967 0.2551 0.0776 0.034 Uiso 1 1 calc R U . . . C28 C -0.0292(2) 0.21404(18) 0.01846(12) 0.0372(8) Uani 1 1 d . . . . . H28 H -0.0547 0.1672 0.0204 0.045 Uiso 1 1 calc R U . . . C29 C 0.0327(2) 0.2302(2) -0.01841(13) 0.0443(9) Uani 1 1 d . . . . . H29 H 0.0497 0.1944 -0.0417 0.053 Uiso 1 1 calc R U . . . C30 C 0.0699(2) 0.2986(2) -0.02129(12) 0.0400(9) Uani 1 1 d . . . . . H30 H 0.1124 0.3096 -0.0465 0.048 Uiso 1 1 calc R U . . . C31 C 0.0447(2) 0.35082(18) 0.01281(11) 0.0294(7) Uani 1 1 d . . . . . H31 H 0.0693 0.3978 0.0104 0.035 Uiso 1 1 calc R U . . . C32 C -0.0832(2) 0.45531(16) 0.06562(11) 0.0256(6) Uani 1 1 d . . . . . H32 H -0.0893 0.4617 0.0299 0.031 Uiso 1 1 calc R U . . . C33 C -0.1135(2) 0.50852(16) 0.09737(11) 0.0281(6) Uani 1 1 d . . . . . H33 H -0.1413 0.5508 0.0833 0.034 Uiso 1 1 calc R U . . . C34 C -0.1035(2) 0.50026(15) 0.14938(11) 0.0248(6) Uani 1 1 d . . . . . H34 H -0.1258 0.5367 0.1707 0.030 Uiso 1 1 calc R U . . . C35 C 0.01670(18) 0.31905(14) 0.15915(9) 0.0167(5) Uani 1 1 d . . . . . C36 C 0.05610(18) 0.34644(14) 0.43676(9) 0.0185(5) Uani 1 1 d . . . . . C37 C 0.07802(18) 0.27678(15) 0.45375(9) 0.0183(5) Uani 1 1 d . . . . . C38 C 0.17896(18) 0.25717(15) 0.46953(10) 0.0204(5) Uani 1 1 d . . . . . H38A H 0.1790 0.2178 0.4947 0.024 Uiso 1 1 calc R U . . . H38B H 0.2102 0.2990 0.4863 0.024 Uiso 1 1 calc R U . . . C39 C 0.23519(18) 0.23394(14) 0.42498(10) 0.0180(5) Uani 1 1 d . . . . . C40 C 0.21492(18) 0.25981(14) 0.37592(10) 0.0190(5) Uani 1 1 d . . . . . H40 H 0.1596 0.2873 0.3688 0.023 Uiso 1 1 calc R U . . . C41 C 0.27431(18) 0.24597(14) 0.33734(10) 0.0182(5) Uani 1 1 d . . . . . H41 H 0.2603 0.2658 0.3046 0.022 Uiso 1 1 calc R U . . . C42 C 0.35391(18) 0.20358(14) 0.34566(10) 0.0179(5) Uani 1 1 d . . . . . C43 C 0.37121(18) 0.17355(15) 0.39414(10) 0.0202(5) Uani 1 1 d . . . . . H43 H 0.4231 0.1422 0.4004 0.024 Uiso 1 1 calc R U . . . C44 C 0.31301(19) 0.18934(14) 0.43298(10) 0.0203(6) Uani 1 1 d . . . . . H44 H 0.3265 0.1693 0.4657 0.024 Uiso 1 1 calc R U . . . C45 C 0.42383(19) 0.19429(13) 0.30627(10) 0.0176(5) Uani 1 1 d . . . . . C46 C 0.5193(2) 0.19638(14) 0.32199(11) 0.0214(6) Uani 1 1 d . . . . . H46 H 0.5373 0.2012 0.3571 0.026 Uiso 1 1 calc R U . . . C47 C 0.58796(19) 0.19150(14) 0.28715(11) 0.0223(6) Uani 1 1 d . . . . . H47 H 0.6525 0.1931 0.2984 0.027 Uiso 1 1 calc R U . . . C48 C 0.56266(19) 0.18425(14) 0.23594(11) 0.0207(6) Uani 1 1 d . . . . . H48 H 0.6102 0.1810 0.2124 0.025 Uiso 1 1 calc R U . . . C49 C 0.46845(19) 0.18160(13) 0.21836(10) 0.0177(5) Uani 1 1 d . . . . . C50 C 0.39860(18) 0.18713(13) 0.25387(10) 0.0166(5) Uani 1 1 d . . . . . C51 C 0.29675(19) 0.18791(13) 0.23541(9) 0.0161(5) Uani 1 1 d . . . . . C52 C 0.44599(19) 0.16868(14) 0.16307(10) 0.0194(5) Uani 1 1 d . . . . . C53 C 0.37418(19) 0.12287(14) 0.14564(10) 0.0209(5) Uani 1 1 d . . . . . H53 H 0.3347 0.1020 0.1693 0.025 Uiso 1 1 calc R U . . . C54 C 0.3591(2) 0.10701(16) 0.09418(11) 0.0281(6) Uani 1 1 d . . . . . H54 H 0.3087 0.0766 0.0828 0.034 Uiso 1 1 calc R U . . . C55 C 0.4181(2) 0.13598(18) 0.05961(11) 0.0324(7) Uani 1 1 d . . . . . H55 H 0.4094 0.1245 0.0246 0.039 Uiso 1 1 calc R U . . . C56 C 0.4896(2) 0.18147(17) 0.07637(11) 0.0308(7) Uani 1 1 d . . . . . H56 H 0.5299 0.2013 0.0527 0.037 Uiso 1 1 calc R U . . . C57 C 0.5033(2) 0.19855(15) 0.12743(11) 0.0249(6) Uani 1 1 d . . . . . H57 H 0.5520 0.2308 0.1383 0.030 Uiso 1 1 calc R U . . . C58 C 0.00839(19) 0.22390(14) 0.45295(10) 0.0195(5) Uani 1 1 d . . . . . C59 C 0.0338(2) 0.14807(15) 0.46897(10) 0.0237(6) Uani 1 1 d . . . . . H59A H 0.0992 0.1382 0.4604 0.028 Uiso 1 1 calc R U . . . H59B H -0.0078 0.1144 0.4493 0.028 Uiso 1 1 calc R U . . . C60 C 0.0252(2) 0.13390(17) 0.52613(11) 0.0310(7) Uani 1 1 d . . . . . H60A H 0.0697 0.1644 0.5459 0.047 Uiso 1 1 calc R U . . . H60B H 0.0393 0.0836 0.5336 0.047 Uiso 1 1 calc R U . . . H60C H -0.0389 0.1447 0.5352 0.047 Uiso 1 1 calc R U . . . C61 C 0.13135(19) 0.40408(15) 0.43825(10) 0.0218(6) Uani 1 1 d . . . . . H61A H 0.1182 0.4378 0.4098 0.026 Uiso 1 1 calc R U . . . H61B H 0.1933 0.3817 0.4338 0.026 Uiso 1 1 calc R U . . . C62 C 0.1349(2) 0.44530(16) 0.48860(11) 0.0270(6) Uani 1 1 d . . . . . H62A H 0.0743 0.4687 0.4925 0.040 Uiso 1 1 calc R U . . . H62B H 0.1846 0.4815 0.4886 0.040 Uiso 1 1 calc R U . . . H62C H 0.1481 0.4120 0.5168 0.040 Uiso 1 1 calc R U . . . C63 C -0.20742(19) 0.33171(15) 0.40345(11) 0.0238(6) Uani 1 1 d . . . . . H63A H -0.2423 0.2884 0.3918 0.029 Uiso 1 1 calc R U . . . H63B H -0.2062 0.3650 0.3743 0.029 Uiso 1 1 calc R U . . . C64 C -0.2596(2) 0.36751(16) 0.44613(11) 0.0277(6) Uani 1 1 d . . . . . H64A H -0.2639 0.3339 0.4744 0.041 Uiso 1 1 calc R U . . . H64B H -0.3229 0.3811 0.4332 0.041 Uiso 1 1 calc R U . . . H64C H -0.2251 0.4103 0.4580 0.041 Uiso 1 1 calc R U . . . C65 C -0.1495(2) 0.06208(15) 0.39230(11) 0.0256(6) Uani 1 1 d . . . . . H65 H -0.1501 0.0406 0.4249 0.031 Uiso 1 1 calc R U . . . C66 C -0.1428(2) 0.01901(15) 0.34998(11) 0.0247(6) Uani 1 1 d . . . . . H66 H -0.1379 -0.0313 0.3542 0.030 Uiso 1 1 calc R U . . . C67 C -0.00531(18) -0.04613(15) 0.13963(10) 0.0203(5) Uani 1 1 d . . . . . C68 C -0.0023(2) 0.01389(15) 0.10792(11) 0.0245(6) Uani 1 1 d . . . . . H68 H -0.0400 0.0545 0.1142 0.029 Uiso 1 1 calc R U . . . C69 C 0.0552(2) 0.01440(16) 0.06738(11) 0.0290(6) Uani 1 1 d . . . . . H69 H 0.0577 0.0556 0.0464 0.035 Uiso 1 1 calc R U . . . C70 C 0.1089(2) -0.04467(17) 0.05737(12) 0.0307(7) Uani 1 1 d . . . . . H70 H 0.1475 -0.0442 0.0293 0.037 Uiso 1 1 calc R U . . . C71 C 0.1069(2) -0.10442(17) 0.08801(11) 0.0289(6) Uani 1 1 d . . . . . H71 H 0.1440 -0.1450 0.0810 0.035 Uiso 1 1 calc R U . . . C72 C 0.05037(19) -0.10498(15) 0.12908(11) 0.0243(6) Uani 1 1 d . . . . . H72 H 0.0496 -0.1460 0.1503 0.029 Uiso 1 1 calc R U . . . C4S C -0.2624(2) 0.0812(2) 0.13536(15) 0.0438(9) Uani 1 1 d . . . . . H4SA H -0.2666 0.0811 0.0981 0.066 Uiso 0.664(7) 1 calc R U P B 2 H4SB H -0.3243 0.0710 0.1478 0.066 Uiso 0.664(7) 1 calc R U P B 2 H4SC H -0.2176 0.0446 0.1478 0.066 Uiso 0.664(7) 1 calc R U P B 2 H4SD H -0.2834 0.0621 0.1020 0.066 Uiso 0.336(7) 1 calc R U P B 3 H4SE H -0.3172 0.0945 0.1540 0.066 Uiso 0.336(7) 1 calc R U P B 3 H4SF H -0.2258 0.0448 0.1545 0.066 Uiso 0.336(7) 1 calc R U P B 3 C3S C 0.2143(3) 0.00673(18) 0.47642(13) 0.0399(8) Uani 1 1 d . . . . . H3SA H 0.2473 0.0319 0.4502 0.060 Uiso 1 1 calc R U . . . H3SB H 0.2114 0.0374 0.5064 0.060 Uiso 1 1 calc R U . . . H3SC H 0.1504 -0.0050 0.4633 0.060 Uiso 1 1 calc R U . . . C74 C 0.0699(3) -0.1032(2) 0.31562(16) 0.0552(11) Uani 1 1 d . . . . . H74A H 0.0857 -0.0965 0.3520 0.083 Uiso 0.829(3) 1 calc R U P A 1 H74B H 0.0426 -0.1509 0.3099 0.083 Uiso 0.829(3) 1 calc R U P A 1 H74C H 0.0243 -0.0668 0.3037 0.083 Uiso 0.829(3) 1 calc R U P A 1 H74D H 0.1137 -0.0978 0.3455 0.083 Uiso 0.171(3) 1 calc R U P A 2 H74E H 0.0307 -0.1456 0.3198 0.083 Uiso 0.171(3) 1 calc R U P A 2 H74F H 0.0298 -0.0607 0.3120 0.083 Uiso 0.171(3) 1 calc R U P A 2 C73 C 0.1586(3) -0.0963(2) 0.28654(17) 0.0351(9) Uani 0.829(3) 1 d . . P A 1 H73A H 0.2057 -0.1301 0.3018 0.042 Uiso 0.829(3) 1 calc R U P A 1 H73B H 0.1432 -0.1123 0.2512 0.042 Uiso 0.829(3) 1 calc R U P A 1 C75 C 0.2225(3) 0.0123(2) 0.33547(15) 0.0335(9) Uani 0.829(3) 1 d . . P A 1 H75A H 0.2830 0.0384 0.3360 0.040 Uiso 0.829(3) 1 calc R U P A 1 H75B H 0.2280 -0.0250 0.3621 0.040 Uiso 0.829(3) 1 calc R U P A 1 C76 C 0.1447(3) 0.0645(2) 0.34784(14) 0.0338(9) Uani 0.829(3) 1 d . . P A 1 H76A H 0.1380 0.1011 0.3213 0.051 Uiso 0.829(3) 1 calc R U P A 1 H76B H 0.1608 0.0874 0.3806 0.051 Uiso 0.829(3) 1 calc R U P A 1 H76C H 0.0854 0.0384 0.3496 0.051 Uiso 0.829(3) 1 calc R U P A 1 C78 C 0.2782(3) -0.0500(2) 0.20323(14) 0.0467(9) Uani 1 1 d . . . . . H78A H 0.2564 -0.0996 0.2012 0.070 Uiso 0.829(3) 1 calc R U P A 1 H78B H 0.3368 -0.0454 0.1859 0.070 Uiso 0.829(3) 1 calc R U P A 1 H78C H 0.2303 -0.0186 0.1869 0.070 Uiso 0.829(3) 1 calc R U P A 1 H78D H 0.2259 -0.0701 0.1820 0.070 Uiso 0.171(3) 1 calc R U P A 2 H78E H 0.3358 -0.0519 0.1848 0.070 Uiso 0.171(3) 1 calc R U P A 2 H78F H 0.2641 -0.0001 0.2115 0.070 Uiso 0.171(3) 1 calc R U P A 2 C77 C 0.2950(3) -0.0291(2) 0.25758(15) 0.0334(8) Uani 0.829(3) 1 d . . P A 1 H77A H 0.3282 0.0174 0.2595 0.040 Uiso 0.829(3) 1 calc R U P A 1 H77B H 0.3360 -0.0652 0.2752 0.040 Uiso 0.829(3) 1 calc R U P A 1 C2S C 0.2667(2) 0.28647(17) 0.08075(12) 0.0318(7) Uani 1 1 d . . . . . H2SA H 0.3104 0.2913 0.0537 0.048 Uiso 1 1 calc R U . . . H2SB H 0.2123 0.2580 0.0684 0.048 Uiso 1 1 calc R U . . . H2SC H 0.2984 0.2625 0.1101 0.048 Uiso 1 1 calc R U . . . C1S C -0.2744(3) 0.32216(19) 0.13248(15) 0.0438(9) Uani 1 1 d . . . . . H1SA H -0.2189 0.3119 0.1550 0.066 Uiso 1 1 calc R U . . . H1SB H -0.3300 0.3249 0.1525 0.066 Uiso 1 1 calc R U . . . H1SC H -0.2658 0.3679 0.1152 0.066 Uiso 1 1 calc R U . . . O4S O -0.2322(3) 0.1477(2) 0.1528(2) 0.0413(11) Uani 0.664(7) 1 d . . P B 2 H4S H -0.1741 0.1464 0.1602 0.062 Uiso 0.664(7) 1 calc R U P B 2 O4SB O -0.2052(7) 0.1431(5) 0.1289(4) 0.0413(11) Uani 0.336(7) 1 d . . P B 3 H4SG H -0.1673 0.1350 0.1064 0.062 Uiso 0.336(7) 1 calc R U P B 3 N1B N 0.2231(12) -0.0866(7) 0.2895(5) 0.0270(7) Uani 0.171(3) 1 d D . P A 2 H1B H 0.2457 -0.1216 0.3162 0.032 Uiso 0.171(3) 1 calc R U P A 2 C75B C 0.2199(15) -0.0148(10) 0.3148(9) 0.0335(9) Uani 0.171(3) 1 d D . P A 2 H75C H 0.1768 -0.0169 0.3428 0.040 Uiso 0.171(3) 1 calc R U P A 2 H75D H 0.1953 0.0213 0.2900 0.040 Uiso 0.171(3) 1 calc R U P A 2 C76B C 0.3186(14) 0.0074(10) 0.3360(7) 0.0338(9) Uani 0.171(3) 1 d . . P A 2 H76D H 0.3645 -0.0030 0.3108 0.051 Uiso 0.171(3) 1 calc R U P A 2 H76E H 0.3350 -0.0193 0.3672 0.051 Uiso 0.171(3) 1 calc R U P A 2 H76F H 0.3191 0.0588 0.3434 0.051 Uiso 0.171(3) 1 calc R U P A 2 C77B C 0.2907(13) -0.0900(10) 0.2485(8) 0.0334(8) Uani 0.171(3) 1 d . . P A 2 H77C H 0.3530 -0.0768 0.2643 0.040 Uiso 0.171(3) 1 calc R U P A 2 H77D H 0.2948 -0.1409 0.2384 0.040 Uiso 0.171(3) 1 calc R U P A 2 C73B C 0.1234(16) -0.1116(12) 0.2697(9) 0.0351(9) Uani 0.171(3) 1 d . . P A 2 H73C H 0.0977 -0.0809 0.2416 0.042 Uiso 0.171(3) 1 calc R U P A 2 H73D H 0.1238 -0.1620 0.2582 0.042 Uiso 0.171(3) 1 calc R U P A 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 U1 0.01425(5) 0.01358(5) 0.01455(5) 0.00040(3) -0.00036(3) 0.00013(3) O2 0.0227(9) 0.0211(10) 0.0195(9) -0.0030(7) 0.0022(7) 0.0001(8) O3 0.0177(9) 0.0193(9) 0.0227(10) 0.0005(7) -0.0032(7) 0.0004(7) O6 0.0171(9) 0.0209(9) 0.0208(10) 0.0022(7) 0.0010(7) 0.0012(7) O5 0.0199(9) 0.0169(9) 0.0193(9) 0.0014(7) -0.0014(7) -0.0009(7) O8 0.0180(9) 0.0164(9) 0.0201(9) 0.0017(7) 0.0028(7) -0.0027(7) O7 0.0190(9) 0.0155(9) 0.0162(9) 0.0021(7) -0.0003(7) 0.0008(7) O4 0.0193(9) 0.0154(9) 0.0215(9) 0.0020(7) -0.0018(7) -0.0002(7) O1 0.0200(9) 0.0216(9) 0.0156(9) -0.0013(7) 0.0004(7) 0.0012(7) O3S 0.0528(15) 0.0349(13) 0.0359(13) -0.0080(10) -0.0041(11) 0.0094(11) O2S 0.0330(12) 0.0294(11) 0.0335(12) 0.0018(9) 0.0055(9) -0.0020(9) O1S 0.0451(14) 0.0400(13) 0.0371(13) -0.0049(10) -0.0034(11) 0.0044(11) N1 0.0325(16) 0.0255(15) 0.0223(17) 0.0019(12) -0.0036(13) 0.0068(12) C1 0.0182(12) 0.0180(13) 0.0143(12) -0.0017(10) 0.0005(10) -0.0004(10) C2 0.0157(12) 0.0161(13) 0.0211(13) 0.0016(10) -0.0054(10) 0.0003(10) C3 0.0181(12) 0.0189(13) 0.0206(13) -0.0001(10) -0.0032(10) 0.0016(10) C4 0.0231(14) 0.0192(14) 0.0253(14) -0.0057(11) -0.0028(11) -0.0024(11) C5 0.0236(14) 0.0218(14) 0.0312(16) -0.0011(12) -0.0010(12) -0.0079(11) C6 0.0218(14) 0.0249(15) 0.0228(14) 0.0012(11) 0.0009(11) -0.0044(11) C7 0.0175(13) 0.0213(14) 0.0202(13) 0.0002(11) -0.0031(10) 0.0003(10) C8 0.0145(12) 0.0234(14) 0.0219(14) -0.0021(11) 0.0000(10) -0.0034(10) C9 0.0215(13) 0.0245(14) 0.0212(14) -0.0002(11) 0.0008(11) 0.0000(11) C10 0.0203(13) 0.0213(14) 0.0270(15) -0.0024(11) 0.0021(11) 0.0004(11) C11 0.0150(12) 0.0266(15) 0.0232(14) -0.0036(11) 0.0021(10) -0.0038(11) C12 0.0218(14) 0.0256(14) 0.0221(14) -0.0046(11) 0.0053(11) -0.0023(11) C13 0.0211(13) 0.0233(14) 0.0135(12) -0.0037(10) 0.0040(10) -0.0019(11) C14 0.0206(14) 0.0254(15) 0.0141(13) -0.0055(10) 0.0013(10) 0.0008(11) C15 0.0233(13) 0.0226(14) 0.0127(12) -0.0046(10) 0.0046(10) 0.0017(11) C16 0.0223(13) 0.0210(14) 0.0202(14) -0.0028(10) 0.0012(11) 0.0023(11) C17 0.0154(12) 0.0214(14) 0.0224(14) -0.0014(11) 0.0003(10) 0.0010(10) C18 0.0248(14) 0.0185(13) 0.0224(14) 0.0027(11) 0.0023(11) 0.0018(11) C19 0.0231(13) 0.0175(13) 0.0197(13) -0.0014(10) 0.0013(11) 0.0008(11) C20 0.0159(12) 0.0206(13) 0.0215(14) 0.0010(10) 0.0004(10) 0.0017(10) C21 0.0238(14) 0.0190(13) 0.0225(14) 0.0025(11) 0.0006(11) -0.0009(11) C22 0.0231(14) 0.0199(14) 0.0246(14) -0.0038(11) 0.0010(11) -0.0003(11) C23 0.0200(13) 0.0194(13) 0.0201(14) 0.0011(10) -0.0002(10) -0.0023(10) C24 0.0152(12) 0.0174(13) 0.0203(13) 0.0030(10) -0.0014(10) -0.0018(10) C25 0.0191(13) 0.0246(14) 0.0211(14) 0.0030(11) 0.0004(11) 0.0000(11) C26 0.0216(14) 0.0279(15) 0.0187(14) 0.0009(11) -0.0055(11) 0.0067(11) C27 0.0341(16) 0.0308(16) 0.0194(14) 0.0007(12) -0.0070(12) 0.0053(13) C28 0.048(2) 0.0306(17) 0.0309(17) -0.0079(13) -0.0159(15) 0.0118(15) C29 0.0376(19) 0.060(2) 0.0331(19) -0.0219(17) -0.0121(15) 0.0259(18) C30 0.0221(16) 0.073(3) 0.0244(16) -0.0115(16) -0.0032(13) 0.0100(16) C31 0.0213(14) 0.0452(18) 0.0212(15) -0.0005(13) -0.0030(11) 0.0039(13) C32 0.0284(15) 0.0287(15) 0.0193(14) 0.0054(11) -0.0024(11) 0.0028(12) C33 0.0329(16) 0.0225(15) 0.0287(16) 0.0089(12) 0.0004(12) 0.0069(12) C34 0.0276(15) 0.0212(14) 0.0256(15) 0.0005(11) 0.0021(12) 0.0043(11) C35 0.0214(13) 0.0189(13) 0.0100(12) -0.0026(9) 0.0010(10) 0.0002(10) C36 0.0222(13) 0.0221(13) 0.0114(12) -0.0053(10) 0.0023(10) -0.0002(11) C37 0.0199(13) 0.0260(14) 0.0091(12) -0.0052(10) 0.0016(10) 0.0018(11) C38 0.0207(13) 0.0247(14) 0.0158(13) -0.0014(10) 0.0005(10) 0.0000(11) C39 0.0177(12) 0.0187(13) 0.0174(13) -0.0031(10) 0.0011(10) -0.0031(10) C40 0.0179(12) 0.0194(13) 0.0195(13) -0.0016(10) -0.0006(10) 0.0021(10) C41 0.0208(13) 0.0199(13) 0.0137(12) -0.0006(10) -0.0007(10) -0.0016(11) C42 0.0173(13) 0.0186(13) 0.0177(13) -0.0041(10) 0.0012(10) -0.0028(10) C43 0.0174(13) 0.0224(13) 0.0206(14) -0.0020(11) -0.0014(10) 0.0023(11) C44 0.0200(13) 0.0240(14) 0.0165(13) 0.0014(10) -0.0034(11) -0.0002(11) C45 0.0190(13) 0.0144(13) 0.0191(13) -0.0008(9) 0.0009(10) 0.0002(10) C46 0.0219(14) 0.0213(14) 0.0206(14) -0.0016(10) -0.0015(11) 0.0010(11) C47 0.0151(13) 0.0212(14) 0.0303(16) -0.0022(11) -0.0003(11) -0.0009(10) C48 0.0175(13) 0.0189(13) 0.0265(15) 0.0003(11) 0.0069(11) -0.0008(10) C49 0.0202(13) 0.0141(12) 0.0190(13) 0.0010(10) 0.0031(10) 0.0001(10) C50 0.0185(13) 0.0129(12) 0.0185(13) 0.0010(9) 0.0013(10) -0.0003(10) C51 0.0210(13) 0.0155(13) 0.0120(12) -0.0020(9) 0.0018(10) 0.0005(10) C52 0.0219(13) 0.0182(13) 0.0186(13) 0.0008(10) 0.0042(10) 0.0058(11) C53 0.0217(13) 0.0216(14) 0.0197(13) 0.0002(11) 0.0040(11) 0.0039(11) C54 0.0280(15) 0.0302(16) 0.0260(15) -0.0047(12) -0.0005(12) 0.0066(12) C55 0.0403(18) 0.0399(18) 0.0169(14) -0.0005(12) 0.0023(13) 0.0124(14) C56 0.0366(17) 0.0359(17) 0.0213(15) 0.0082(12) 0.0128(13) 0.0080(14) C57 0.0262(15) 0.0230(14) 0.0264(15) 0.0045(11) 0.0079(12) 0.0023(11) C58 0.0237(14) 0.0222(14) 0.0131(12) -0.0043(10) 0.0042(10) 0.0019(11) C59 0.0235(14) 0.0250(15) 0.0225(14) -0.0003(11) 0.0018(11) 0.0016(11) C60 0.0355(17) 0.0307(16) 0.0271(16) 0.0061(12) 0.0026(13) 0.0041(13) C61 0.0195(13) 0.0254(14) 0.0209(14) -0.0042(11) 0.0033(11) -0.0011(11) C62 0.0255(14) 0.0276(15) 0.0281(15) -0.0068(12) 0.0039(12) -0.0039(12) C63 0.0211(14) 0.0260(15) 0.0238(14) -0.0050(11) -0.0013(11) 0.0022(11) C64 0.0216(14) 0.0324(16) 0.0293(16) -0.0030(12) 0.0042(12) 0.0024(12) C65 0.0284(15) 0.0270(15) 0.0214(14) 0.0027(11) 0.0031(11) -0.0064(12) C66 0.0266(14) 0.0208(14) 0.0267(15) 0.0006(11) 0.0020(12) -0.0063(11) C67 0.0185(13) 0.0212(13) 0.0207(13) -0.0036(11) -0.0034(10) -0.0011(11) C68 0.0262(14) 0.0229(14) 0.0244(15) -0.0027(11) 0.0009(11) 0.0025(11) C69 0.0345(16) 0.0285(16) 0.0242(15) 0.0012(12) 0.0038(12) -0.0010(13) C70 0.0268(15) 0.0375(17) 0.0284(16) -0.0075(13) 0.0069(12) 0.0004(13) C71 0.0250(15) 0.0311(16) 0.0305(16) -0.0087(13) 0.0011(12) 0.0064(12) C72 0.0240(14) 0.0215(14) 0.0270(15) -0.0029(11) -0.0023(11) 0.0008(11) C4S 0.0297(17) 0.046(2) 0.054(2) 0.0022(17) -0.0100(16) -0.0003(15) C3S 0.050(2) 0.0317(18) 0.0383(19) 0.0017(14) 0.0038(16) 0.0034(15) C74 0.047(2) 0.069(3) 0.051(2) 0.018(2) 0.0071(18) 0.017(2) C73 0.038(3) 0.029(2) 0.038(3) -0.0031(17) 0.0013(19) 0.0020(19) C75 0.040(2) 0.036(2) 0.024(2) 0.0009(16) -0.0080(17) -0.0009(18) C76 0.048(2) 0.031(2) 0.0216(18) 0.0004(14) -0.0015(16) 0.0011(17) C78 0.049(2) 0.046(2) 0.047(2) -0.0096(17) 0.0138(17) -0.0151(17) C77 0.0300(19) 0.0230(17) 0.048(2) -0.0002(16) 0.0048(17) 0.0030(15) C2S 0.0335(17) 0.0308(16) 0.0316(17) 0.0052(13) 0.0065(13) 0.0052(13) C1S 0.0345(18) 0.0381(19) 0.059(2) -0.0150(17) 0.0002(17) -0.0022(15) O4S 0.028(2) 0.0405(17) 0.054(3) -0.001(2) -0.0109(19) 0.0034(16) O4SB 0.028(2) 0.0405(17) 0.054(3) -0.001(2) -0.0109(19) 0.0034(16) N1B 0.0325(16) 0.0255(15) 0.0223(17) 0.0019(12) -0.0036(13) 0.0068(12) C75B 0.040(2) 0.036(2) 0.024(2) 0.0009(16) -0.0080(17) -0.0009(18) C76B 0.048(2) 0.031(2) 0.0216(18) 0.0004(14) -0.0015(16) 0.0011(17) C77B 0.0300(19) 0.0230(17) 0.048(2) -0.0002(16) 0.0048(17) 0.0030(15) C73B 0.038(3) 0.029(2) 0.038(3) -0.0031(17) 0.0013(19) 0.0020(19) _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 U1 O2 1.7792(18) . ? U1 O3 2.5161(18) . ? U1 O6 2.5121(18) . ? U1 O5 2.4423(17) . ? U1 O8 2.4779(18) . ? U1 O7 2.4660(17) . ? U1 O4 2.4814(18) . ? U1 O1 1.7827(17) . ? U1 C1 2.893(3) . ? U1 C35 2.872(3) . ? U1 C51 2.850(3) . ? O3 C1 1.264(3) . ? O6 C35 1.276(3) . ? O5 C35 1.266(3) . ? O8 C51 1.272(3) . ? O7 C51 1.266(3) . ? O4 C1 1.268(3) . ? O3S H3S 0.8400 . ? O3S C3S 1.406(4) . ? O2S H2S 0.8400 . ? O2S C2S 1.429(4) . ? O1S H1S 0.8400 . ? O1S C1S 1.401(4) . ? N1 H1 1.0000 . ? N1 C73 1.523(5) . ? N1 C75 1.513(5) . ? N1 C77 1.507(5) . ? C1 C2 1.500(4) . ? C2 C3 1.408(4) . ? C2 C7 1.410(4) . ? C3 C4 1.398(4) . ? C3 C67 1.487(4) . ? C4 H4 0.9500 . ? C4 C5 1.382(4) . ? C5 H5 0.9500 . ? C5 C6 1.380(4) . ? C6 H6 0.9500 . ? C6 C7 1.397(4) . ? C7 C8 1.494(4) . ? C8 C9 1.395(4) . ? C8 C66 1.400(4) . ? C9 H9 0.9500 . ? C9 C10 1.392(4) . ? C10 H10 0.9500 . ? C10 C11 1.395(4) . ? C11 C12 1.521(4) . ? C11 C65 1.393(4) . ? C12 H12A 0.9900 . ? C12 H12B 0.9900 . ? C12 C13 1.524(4) . ? C13 C14 1.403(4) . ? C13 C58 1.405(4) . ? C14 C15 1.411(4) . ? C14 C63 1.520(4) . ? C15 C16 1.523(4) . ? C15 C36 1.403(4) . ? C16 H16A 0.9900 . ? C16 H16B 0.9900 . ? C16 C17 1.531(4) . ? C17 C18 1.396(4) . ? C17 C22 1.391(4) . ? C18 H18 0.9500 . ? C18 C19 1.382(4) . ? C19 H19 0.9500 . ? C19 C20 1.398(4) . ? C20 C21 1.399(4) . ? C20 C23 1.501(4) . ? C21 H21 0.9500 . ? C21 C22 1.387(4) . ? C22 H22 0.9500 . ? C23 C24 1.403(4) . ? C23 C34 1.403(4) . ? C24 C25 1.411(4) . ? C24 C35 1.496(4) . ? C25 C26 1.495(4) . ? C25 C32 1.397(4) . ? C26 C27 1.395(4) . ? C26 C31 1.387(4) . ? C27 H27 0.9500 . ? C27 C28 1.386(4) . ? C28 H28 0.9500 . ? C28 C29 1.386(5) . ? C29 H29 0.9500 . ? C29 C30 1.387(5) . ? C30 H30 0.9500 . ? C30 C31 1.390(5) . ? C31 H31 0.9500 . ? C32 H32 0.9500 . ? C32 C33 1.386(4) . ? C33 H33 0.9500 . ? C33 C34 1.380(4) . ? C34 H34 0.9500 . ? C36 C37 1.406(4) . ? C36 C61 1.520(4) . ? C37 C38 1.519(4) . ? C37 C58 1.401(4) . ? C38 H38A 0.9900 . ? C38 H38B 0.9900 . ? C38 C39 1.526(3) . ? C39 C40 1.396(4) . ? C39 C44 1.394(4) . ? C40 H40 0.9500 . ? C40 C41 1.388(4) . ? C41 H41 0.9500 . ? C41 C42 1.391(4) . ? C42 C43 1.405(4) . ? C42 C45 1.494(4) . ? C43 H43 0.9500 . ? C43 C44 1.389(4) . ? C44 H44 0.9500 . ? C45 C46 1.399(4) . ? C45 C50 1.413(4) . ? C46 H46 0.9500 . ? C46 C47 1.387(4) . ? C47 H47 0.9500 . ? C47 C48 1.384(4) . ? C48 H48 0.9500 . ? C48 C49 1.396(4) . ? C49 C50 1.412(4) . ? C49 C52 1.494(4) . ? C50 C51 1.504(4) . ? C52 C53 1.392(4) . ? C52 C57 1.399(4) . ? C53 H53 0.9500 . ? C53 C54 1.394(4) . ? C54 H54 0.9500 . ? C54 C55 1.389(4) . ? C55 H55 0.9500 . ? C55 C56 1.379(5) . ? C56 H56 0.9500 . ? C56 C57 1.387(4) . ? C57 H57 0.9500 . ? C58 C59 1.517(4) . ? C59 H59A 0.9900 . ? C59 H59B 0.9900 . ? C59 C60 1.543(4) . ? C60 H60A 0.9800 . ? C60 H60B 0.9800 . ? C60 H60C 0.9800 . ? C61 H61A 0.9900 . ? C61 H61B 0.9900 . ? C61 C62 1.534(4) . ? C62 H62A 0.9800 . ? C62 H62B 0.9800 . ? C62 H62C 0.9800 . ? C63 H63A 0.9900 . ? C63 H63B 0.9900 . ? C63 C64 1.540(4) . ? C64 H64A 0.9800 . ? C64 H64B 0.9800 . ? C64 H64C 0.9800 . ? C65 H65 0.9500 . ? C65 C66 1.385(4) . ? C66 H66 0.9500 . ? C67 C68 1.402(4) . ? C67 C72 1.395(4) . ? C68 H68 0.9500 . ? C68 C69 1.387(4) . ? C69 H69 0.9500 . ? C69 C70 1.378(4) . ? C70 H70 0.9500 . ? C70 C71 1.380(4) . ? C71 H71 0.9500 . ? C71 C72 1.389(4) . ? C72 H72 0.9500 . ? C4S H4SA 0.9800 . ? C4S H4SB 0.9800 . ? C4S H4SC 0.9800 . ? C4S H4SD 0.9800 . ? C4S H4SE 0.9800 . ? C4S H4SF 0.9800 . ? C4S O4S 1.385(6) . ? C4S O4SB 1.432(10) . ? C3S H3SA 0.9800 . ? C3S H3SB 0.9800 . ? C3S H3SC 0.9800 . ? C74 H74A 0.9800 . ? C74 H74B 0.9800 . ? C74 H74C 0.9800 . ? C74 H74D 0.9800 . ? C74 H74E 0.9800 . ? C74 H74F 0.9800 . ? C74 C73 1.524(6) . ? C74 C73B 1.48(2) . ? C73 H73A 0.9900 . ? C73 H73B 0.9900 . ? C75 H75A 0.9900 . ? C75 H75B 0.9900 . ? C75 C76 1.527(6) . ? C76 H76A 0.9800 . ? C76 H76B 0.9800 . ? C76 H76C 0.9800 . ? C78 H78A 0.9800 . ? C78 H78B 0.9800 . ? C78 H78C 0.9800 . ? C78 H78D 0.9800 . ? C78 H78E 0.9800 . ? C78 H78F 0.9800 . ? C78 C77 1.491(5) . ? C78 C77B 1.412(19) . ? C77 H77A 0.9900 . ? C77 H77B 0.9900 . ? C2S H2SA 0.9800 . ? C2S H2SB 0.9800 . ? C2S H2SC 0.9800 . ? C1S H1SA 0.9800 . ? C1S H1SB 0.9800 . ? C1S H1SC 0.9800 . ? O4S H4S 0.8400 . ? O4SB H4SG 0.8400 . ? N1B H1B 1.0000 . ? N1B C75B 1.501(17) . ? N1B C77B 1.49(2) . ? N1B C73B 1.56(3) . ? C75B H75C 0.9900 . ? C75B H75D 0.9900 . ? C75B C76B 1.54(3) . ? C76B H76D 0.9800 . ? C76B H76E 0.9800 . ? C76B H76F 0.9800 . ? C77B H77C 0.9900 . ? C77B H77D 0.9900 . ? C73B H73C 0.9900 . ? C73B H73D 0.9900 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O2 U1 O3 88.48(7) . . ? O2 U1 O6 90.76(7) . . ? O2 U1 O5 92.44(7) . . ? O2 U1 O8 92.59(7) . . ? O2 U1 O7 88.87(7) . . ? O2 U1 O4 89.19(7) . . ? O2 U1 O1 179.71(8) . . ? O2 U1 C1 88.24(8) . . ? O2 U1 C35 92.58(8) . . ? O2 U1 C51 91.17(8) . . ? O3 U1 C1 25.84(6) . . ? O3 U1 C35 143.67(7) . . ? O3 U1 C51 94.28(6) . . ? O6 U1 O3 169.92(6) . . ? O6 U1 C1 144.09(6) . . ? O6 U1 C35 26.34(7) . . ? O6 U1 C51 95.79(6) . . ? O5 U1 O3 117.68(6) . . ? O5 U1 O6 52.30(6) . . ? O5 U1 O8 172.58(6) . . ? O5 U1 O7 121.91(6) . . ? O5 U1 O4 66.00(6) . . ? O5 U1 C1 91.87(6) . . ? O5 U1 C35 25.98(7) . . ? O5 U1 C51 147.91(6) . . ? O8 U1 O3 67.91(6) . . ? O8 U1 O6 122.17(6) . . ? O8 U1 O4 119.52(6) . . ? O8 U1 C1 93.73(6) . . ? O8 U1 C35 148.13(7) . . ? O8 U1 C51 26.47(6) . . ? O7 U1 O3 120.40(6) . . ? O7 U1 O6 69.62(6) . . ? O7 U1 O8 52.77(6) . . ? O7 U1 O4 171.93(6) . . ? O7 U1 C1 146.19(6) . . ? O7 U1 C35 95.93(7) . . ? O7 U1 C51 26.31(6) . . ? O4 U1 O3 51.71(6) . . ? O4 U1 O6 118.24(6) . . ? O4 U1 C1 25.87(6) . . ? O4 U1 C35 91.98(7) . . ? O4 U1 C51 145.96(6) . . ? O1 U1 O3 91.23(7) . . ? O1 U1 O6 89.54(7) . . ? O1 U1 O5 87.75(7) . . ? O1 U1 O8 87.24(7) . . ? O1 U1 O7 91.22(7) . . ? O1 U1 O4 90.69(7) . . ? O1 U1 C1 91.53(8) . . ? O1 U1 C35 87.69(7) . . ? O1 U1 C51 88.79(7) . . ? C35 U1 C1 117.85(7) . . ? C51 U1 C1 120.12(7) . . ? C51 U1 C35 121.99(7) . . ? C1 O3 U1 93.99(15) . . ? C35 O6 U1 92.75(15) . . ? C35 O5 U1 96.31(15) . . ? C51 O8 U1 93.29(15) . . ? C51 O7 U1 94.01(15) . . ? C1 O4 U1 95.52(15) . . ? C3S O3S H3S 109.5 . . ? C2S O2S H2S 109.5 . . ? C1S O1S H1S 109.5 . . ? C73 N1 H1 107.5 . . ? C75 N1 H1 107.5 . . ? C75 N1 C73 113.9(3) . . ? C77 N1 H1 107.5 . . ? C77 N1 C73 109.6(3) . . ? C77 N1 C75 110.4(3) . . ? O3 C1 U1 60.17(13) . . ? O3 C1 O4 118.7(2) . . ? O3 C1 C2 120.9(2) . . ? O4 C1 U1 58.61(13) . . ? O4 C1 C2 120.3(2) . . ? C2 C1 U1 176.71(18) . . ? C3 C2 C1 118.3(2) . . ? C3 C2 C7 120.9(2) . . ? C7 C2 C1 120.8(2) . . ? C2 C3 C67 123.2(2) . . ? C4 C3 C2 118.5(2) . . ? C4 C3 C67 118.2(2) . . ? C3 C4 H4 119.5 . . ? C5 C4 C3 121.1(3) . . ? C5 C4 H4 119.5 . . ? C4 C5 H5 120.1 . . ? C6 C5 C4 119.7(3) . . ? C6 C5 H5 120.1 . . ? C5 C6 H6 119.2 . . ? C5 C6 C7 121.7(3) . . ? C7 C6 H6 119.2 . . ? C2 C7 C8 124.3(2) . . ? C6 C7 C2 118.0(2) . . ? C6 C7 C8 117.5(2) . . ? C9 C8 C7 125.2(2) . . ? C9 C8 C66 117.6(3) . . ? C66 C8 C7 117.1(2) . . ? C8 C9 H9 119.7 . . ? C10 C9 C8 120.6(3) . . ? C10 C9 H9 119.7 . . ? C9 C10 H10 119.1 . . ? C9 C10 C11 121.8(3) . . ? C11 C10 H10 119.1 . . ? C10 C11 C12 122.4(3) . . ? C65 C11 C10 117.3(3) . . ? C65 C11 C12 120.2(3) . . ? C11 C12 H12A 109.1 . . ? C11 C12 H12B 109.1 . . ? C11 C12 C13 112.4(2) . . ? H12A C12 H12B 107.8 . . ? C13 C12 H12A 109.1 . . ? C13 C12 H12B 109.1 . . ? C14 C13 C12 120.9(2) . . ? C14 C13 C58 120.4(2) . . ? C58 C13 C12 118.6(2) . . ? C13 C14 C15 119.6(2) . . ? C13 C14 C63 121.6(2) . . ? C15 C14 C63 118.7(2) . . ? C14 C15 C16 119.7(2) . . ? C36 C15 C14 120.0(2) . . ? C36 C15 C16 120.0(2) . . ? C15 C16 H16A 109.0 . . ? C15 C16 H16B 109.0 . . ? C15 C16 C17 113.0(2) . . ? H16A C16 H16B 107.8 . . ? C17 C16 H16A 109.0 . . ? C17 C16 H16B 109.0 . . ? C18 C17 C16 123.0(2) . . ? C22 C17 C16 120.0(2) . . ? C22 C17 C18 117.0(2) . . ? C17 C18 H18 119.2 . . ? C19 C18 C17 121.6(3) . . ? C19 C18 H18 119.2 . . ? C18 C19 H19 119.2 . . ? C18 C19 C20 121.6(3) . . ? C20 C19 H19 119.2 . . ? C19 C20 C21 116.7(2) . . ? C19 C20 C23 123.4(2) . . ? C21 C20 C23 119.9(2) . . ? C20 C21 H21 119.2 . . ? C22 C21 C20 121.5(3) . . ? C22 C21 H21 119.2 . . ? C17 C22 H22 119.3 . . ? C21 C22 C17 121.5(3) . . ? C21 C22 H22 119.3 . . ? C24 C23 C20 124.2(2) . . ? C34 C23 C20 117.7(2) . . ? C34 C23 C24 118.1(2) . . ? C23 C24 C25 121.0(2) . . ? C23 C24 C35 121.8(2) . . ? C25 C24 C35 117.2(2) . . ? C24 C25 C26 122.3(2) . . ? C32 C25 C24 118.8(3) . . ? C32 C25 C26 118.8(2) . . ? C27 C26 C25 121.2(3) . . ? C31 C26 C25 119.5(3) . . ? C31 C26 C27 119.2(3) . . ? C26 C27 H27 119.8 . . ? C28 C27 C26 120.4(3) . . ? C28 C27 H27 119.8 . . ? C27 C28 H28 120.0 . . ? C29 C28 C27 120.0(3) . . ? C29 C28 H28 120.0 . . ? C28 C29 H29 120.0 . . ? C28 C29 C30 120.0(3) . . ? C30 C29 H29 120.0 . . ? C29 C30 H30 120.1 . . ? C29 C30 C31 119.9(3) . . ? C31 C30 H30 120.1 . . ? C26 C31 C30 120.5(3) . . ? C26 C31 H31 119.8 . . ? C30 C31 H31 119.8 . . ? C25 C32 H32 119.8 . . ? C33 C32 C25 120.5(3) . . ? C33 C32 H32 119.8 . . ? C32 C33 H33 119.9 . . ? C34 C33 C32 120.2(3) . . ? C34 C33 H33 119.9 . . ? C23 C34 H34 119.3 . . ? C33 C34 C23 121.3(3) . . ? C33 C34 H34 119.3 . . ? O6 C35 U1 60.90(13) . . ? O6 C35 C24 120.7(2) . . ? O5 C35 U1 57.71(13) . . ? O5 C35 O6 118.5(2) . . ? O5 C35 C24 120.7(2) . . ? C24 C35 U1 176.94(18) . . ? C15 C36 C37 119.8(2) . . ? C15 C36 C61 119.8(2) . . ? C37 C36 C61 120.4(2) . . ? C36 C37 C38 120.0(2) . . ? C58 C37 C36 120.3(2) . . ? C58 C37 C38 119.5(2) . . ? C37 C38 H38A 109.0 . . ? C37 C38 H38B 109.0 . . ? C37 C38 C39 113.0(2) . . ? H38A C38 H38B 107.8 . . ? C39 C38 H38A 109.0 . . ? C39 C38 H38B 109.0 . . ? C40 C39 C38 121.8(2) . . ? C44 C39 C38 120.3(2) . . ? C44 C39 C40 117.8(2) . . ? C39 C40 H40 119.5 . . ? C41 C40 C39 121.0(2) . . ? C41 C40 H40 119.5 . . ? C40 C41 H41 119.4 . . ? C40 C41 C42 121.3(2) . . ? C42 C41 H41 119.4 . . ? C41 C42 C43 117.9(2) . . ? C41 C42 C45 122.0(2) . . ? C43 C42 C45 120.0(2) . . ? C42 C43 H43 119.8 . . ? C44 C43 C42 120.5(2) . . ? C44 C43 H43 119.8 . . ? C39 C44 H44 119.3 . . ? C43 C44 C39 121.4(2) . . ? C43 C44 H44 119.3 . . ? C46 C45 C42 118.0(2) . . ? C46 C45 C50 118.5(2) . . ? C50 C45 C42 123.4(2) . . ? C45 C46 H46 119.5 . . ? C47 C46 C45 121.0(3) . . ? C47 C46 H46 119.5 . . ? C46 C47 H47 120.0 . . ? C48 C47 C46 120.1(3) . . ? C48 C47 H47 120.0 . . ? C47 C48 H48 119.4 . . ? C47 C48 C49 121.1(3) . . ? C49 C48 H48 119.4 . . ? C48 C49 C50 118.7(2) . . ? C48 C49 C52 118.4(2) . . ? C50 C49 C52 122.8(2) . . ? C45 C50 C51 120.0(2) . . ? C49 C50 C45 120.5(2) . . ? C49 C50 C51 119.5(2) . . ? O8 C51 U1 60.24(13) . . ? O8 C51 C50 120.3(2) . . ? O7 C51 U1 59.68(13) . . ? O7 C51 O8 119.9(2) . . ? O7 C51 C50 119.7(2) . . ? C50 C51 U1 178.51(18) . . ? C53 C52 C49 122.1(2) . . ? C53 C52 C57 118.2(3) . . ? C57 C52 C49 119.5(2) . . ? C52 C53 H53 119.3 . . ? C52 C53 C54 121.3(3) . . ? C54 C53 H53 119.3 . . ? C53 C54 H54 120.2 . . ? C55 C54 C53 119.5(3) . . ? C55 C54 H54 120.2 . . ? C54 C55 H55 120.1 . . ? C56 C55 C54 119.7(3) . . ? C56 C55 H55 120.1 . . ? C55 C56 H56 119.6 . . ? C55 C56 C57 120.8(3) . . ? C57 C56 H56 119.6 . . ? C52 C57 H57 119.8 . . ? C56 C57 C52 120.5(3) . . ? C56 C57 H57 119.8 . . ? C13 C58 C59 120.4(2) . . ? C37 C58 C13 119.7(2) . . ? C37 C58 C59 119.9(2) . . ? C58 C59 H59A 108.8 . . ? C58 C59 H59B 108.8 . . ? C58 C59 C60 113.6(2) . . ? H59A C59 H59B 107.7 . . ? C60 C59 H59A 108.8 . . ? C60 C59 H59B 108.8 . . ? C59 C60 H60A 109.5 . . ? C59 C60 H60B 109.5 . . ? C59 C60 H60C 109.5 . . ? H60A C60 H60B 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C36 C61 H61A 109.3 . . ? C36 C61 H61B 109.3 . . ? C36 C61 C62 111.4(2) . . ? H61A C61 H61B 108.0 . . ? C62 C61 H61A 109.3 . . ? C62 C61 H61B 109.3 . . ? C61 C62 H62A 109.5 . . ? C61 C62 H62B 109.5 . . ? C61 C62 H62C 109.5 . . ? H62A C62 H62B 109.5 . . ? H62A C62 H62C 109.5 . . ? H62B C62 H62C 109.5 . . ? C14 C63 H63A 109.1 . . ? C14 C63 H63B 109.1 . . ? C14 C63 C64 112.7(2) . . ? H63A C63 H63B 107.8 . . ? C64 C63 H63A 109.1 . . ? C64 C63 H63B 109.1 . . ? C63 C64 H64A 109.5 . . ? C63 C64 H64B 109.5 . . ? C63 C64 H64C 109.5 . . ? H64A C64 H64B 109.5 . . ? H64A C64 H64C 109.5 . . ? H64B C64 H64C 109.5 . . ? C11 C65 H65 119.3 . . ? C66 C65 C11 121.3(3) . . ? C66 C65 H65 119.3 . . ? C8 C66 H66 119.3 . . ? C65 C66 C8 121.3(3) . . ? C65 C66 H66 119.3 . . ? C68 C67 C3 122.4(2) . . ? C72 C67 C3 119.2(2) . . ? C72 C67 C68 118.3(3) . . ? C67 C68 H68 119.8 . . ? C69 C68 C67 120.4(3) . . ? C69 C68 H68 119.8 . . ? C68 C69 H69 119.9 . . ? C70 C69 C68 120.3(3) . . ? C70 C69 H69 119.9 . . ? C69 C70 H70 119.9 . . ? C69 C70 C71 120.3(3) . . ? C71 C70 H70 119.9 . . ? C70 C71 H71 120.1 . . ? C70 C71 C72 119.8(3) . . ? C72 C71 H71 120.1 . . ? C67 C72 H72 119.5 . . ? C71 C72 C67 120.9(3) . . ? C71 C72 H72 119.5 . . ? H4SA C4S H4SB 109.5 . . ? H4SA C4S H4SC 109.5 . . ? H4SB C4S H4SC 109.5 . . ? H4SD C4S H4SE 109.5 . . ? H4SD C4S H4SF 109.5 . . ? H4SE C4S H4SF 109.5 . . ? O4S C4S H4SA 109.5 . . ? O4S C4S H4SB 109.5 . . ? O4S C4S H4SC 109.5 . . ? O4SB C4S H4SD 109.5 . . ? O4SB C4S H4SE 109.5 . . ? O4SB C4S H4SF 109.5 . . ? O3S C3S H3SA 109.5 . . ? O3S C3S H3SB 109.5 . . ? O3S C3S H3SC 109.5 . . ? H3SA C3S H3SB 109.5 . . ? H3SA C3S H3SC 109.5 . . ? H3SB C3S H3SC 109.5 . . ? H74A C74 H74B 109.5 . . ? H74A C74 H74C 109.5 . . ? H74B C74 H74C 109.5 . . ? H74D C74 H74E 109.5 . . ? H74D C74 H74F 109.5 . . ? H74E C74 H74F 109.5 . . ? C73 C74 H74A 109.5 . . ? C73 C74 H74B 109.5 . . ? C73 C74 H74C 109.5 . . ? C73B C74 H74D 109.5 . . ? C73B C74 H74E 109.5 . . ? C73B C74 H74F 109.5 . . ? N1 C73 C74 118.2(3) . . ? N1 C73 H73A 107.8 . . ? N1 C73 H73B 107.8 . . ? C74 C73 H73A 107.8 . . ? C74 C73 H73B 107.8 . . ? H73A C73 H73B 107.1 . . ? N1 C75 H75A 109.0 . . ? N1 C75 H75B 109.0 . . ? N1 C75 C76 112.7(3) . . ? H75A C75 H75B 107.8 . . ? C76 C75 H75A 109.0 . . ? C76 C75 H75B 109.0 . . ? C75 C76 H76A 109.5 . . ? C75 C76 H76B 109.5 . . ? C75 C76 H76C 109.5 . . ? H76A C76 H76B 109.5 . . ? H76A C76 H76C 109.5 . . ? H76B C76 H76C 109.5 . . ? H78A C78 H78B 109.5 . . ? H78A C78 H78C 109.5 . . ? H78B C78 H78C 109.5 . . ? H78D C78 H78E 109.5 . . ? H78D C78 H78F 109.5 . . ? H78E C78 H78F 109.5 . . ? C77 C78 H78A 109.5 . . ? C77 C78 H78B 109.5 . . ? C77 C78 H78C 109.5 . . ? C77B C78 H78D 109.5 . . ? C77B C78 H78E 109.5 . . ? C77B C78 H78F 109.5 . . ? N1 C77 H77A 109.2 . . ? N1 C77 H77B 109.2 . . ? C78 C77 N1 112.1(3) . . ? C78 C77 H77A 109.2 . . ? C78 C77 H77B 109.2 . . ? H77A C77 H77B 107.9 . . ? O2S C2S H2SA 109.5 . . ? O2S C2S H2SB 109.5 . . ? O2S C2S H2SC 109.5 . . ? H2SA C2S H2SB 109.5 . . ? H2SA C2S H2SC 109.5 . . ? H2SB C2S H2SC 109.5 . . ? O1S C1S H1SA 109.5 . . ? O1S C1S H1SB 109.5 . . ? O1S C1S H1SC 109.5 . . ? H1SA C1S H1SB 109.5 . . ? H1SA C1S H1SC 109.5 . . ? H1SB C1S H1SC 109.5 . . ? C4S O4S H4S 109.5 . . ? C4S O4SB H4SG 109.5 . . ? C75B N1B H1B 106.8 . . ? C75B N1B C73B 111.4(15) . . ? C77B N1B H1B 106.8 . . ? C77B N1B C75B 113.5(16) . . ? C77B N1B C73B 111.1(14) . . ? C73B N1B H1B 106.8 . . ? N1B C75B H75C 109.5 . . ? N1B C75B H75D 109.5 . . ? N1B C75B C76B 110.5(16) . . ? H75C C75B H75D 108.1 . . ? C76B C75B H75C 109.5 . . ? C76B C75B H75D 109.5 . . ? C75B C76B H76D 109.5 . . ? C75B C76B H76E 109.5 . . ? C75B C76B H76F 109.5 . . ? H76D C76B H76E 109.5 . . ? H76D C76B H76F 109.5 . . ? H76E C76B H76F 109.5 . . ? C78 C77B N1B 122.5(14) . . ? C78 C77B H77C 106.7 . . ? C78 C77B H77D 106.7 . . ? N1B C77B H77C 106.7 . . ? N1B C77B H77D 106.7 . . ? H77C C77B H77D 106.6 . . ? C74 C73B N1B 101.5(14) . . ? C74 C73B H73C 111.5 . . ? C74 C73B H73D 111.5 . . ? N1B C73B H73C 111.5 . . ? N1B C73B H73D 111.5 . . ? H73C C73B H73D 109.3 . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O3S H3S O2S 0.84 1.95 2.787(3) 170.7 2_545 O2S H2S O6 0.84 2.04 2.855(3) 164.5 . O1S H1S O4S 0.84 1.95 2.774(5) 164.7 . O1S H1S O4SB 0.84 1.88 2.716(9) 172.3 . N1 H1 O3 1.00 1.86 2.860(3) 173.3 . O4S H4S O4 0.84 2.01 2.825(4) 162.5 . N1B H1B O6 1.00 2.41 3.166(15) 131.4 2_545 _shelx_estimated_absorpt_T_max 0.720 _shelx_estimated_absorpt_T_min 0.227 _shelx_hkl_checksum 42722 _shelx_hkl_file ; -1 0 0 -0.45 0.02 1 0 0 -0.41 0.04 2 0 0 291.20 9.36 -2 0 0 300.47 9.37 3 0 0 -0.47 0.17 -3 0 0 -0.64 0.14 -3 0 0 -0.17 0.16 -3 0 0 -0.62 0.14 3 0 0 -0.47 0.12 -4 0 0 44.28 1.35 -4 0 0 46.96 1.40 4 0 0 44.24 1.57 4 0 0 41.19 1.36 4 0 0 44.25 1.31 5 0 0 0.10 0.13 5 0 0 -0.10 0.12 -5 0 0 -0.20 0.14 5 0 0 0.04 0.16 -5 0 0 -0.15 0.16 -6 0 0 423.32 11.85 6 0 0 412.28 11.48 6 0 0 417.73 13.40 -6 0 0 418.58 11.56 -7 0 0 -0.15 0.22 7 0 0 -0.31 0.17 -7 0 0 -0.38 0.21 -8 0 0 37.02 1.42 -8 0 0 39.87 1.39 -9 0 0 0.33 0.26 -9 0 0 0.00 0.25 -10 0 0 32.69 1.29 -10 0 0 29.07 1.31 -11 0 0 -0.54 0.30 -11 0 0 0.15 0.33 12 0 0 2.00 0.49 12 0 0 2.07 0.51 12 0 0 2.64 0.46 12 0 0 1.42 0.47 13 0 0 -0.33 0.39 13 0 0 -0.18 0.32 13 0 0 0.09 0.41 14 0 0 40.16 1.91 14 0 0 37.11 1.59 14 0 0 37.91 1.67 15 0 0 0.30 0.37 15 0 0 -0.58 0.32 15 0 0 0.35 0.38 16 0 0 18.99 0.93 16 0 0 17.96 1.08 16 0 0 18.51 0.94 1 -1 0 6.70 0.25 1 1 0 6.96 0.27 -1 1 0 6.82 0.25 2 -1 0 86.85 2.77 -2 1 0 84.83 2.77 2 1 0 85.81 2.79 3 -1 0 119.40 3.75 -3 -1 0 116.38 3.25 -3 -1 0 113.43 3.34 -3 1 0 115.69 3.33 3 1 0 121.77 3.78 3 1 0 113.48 3.23 -3 1 0 110.61 3.23 -3 1 0 115.26 3.76 3 1 0 114.56 3.33 4 -1 0 36.04 1.33 4 -1 0 36.99 1.10 -4 -1 0 38.93 1.22 -4 -1 0 37.84 1.17 4 1 0 36.86 1.36 4 1 0 35.52 1.18 -4 1 0 37.50 1.20 -4 1 0 36.16 1.15 4 1 0 38.56 1.14 -5 -1 0 5.90 0.37 -5 -1 0 6.57 0.39 5 -1 0 5.66 0.30 5 -1 0 5.34 0.39 5 -1 0 5.09 0.32 5 1 0 5.72 0.41 -5 1 0 6.26 0.36 5 1 0 5.33 0.33 -5 1 0 6.04 0.37 5 1 0 5.76 0.37 -6 -1 0 118.37 3.51 6 -1 0 111.76 3.92 -6 -1 0 120.77 3.42 -6 1 0 123.67 3.51 6 1 0 116.74 3.35 6 1 0 108.20 3.45 -6 1 0 117.86 3.40 7 -1 0 13.17 0.75 -7 -1 0 14.79 0.73 -7 -1 0 14.44 0.68 -7 1 0 14.67 0.68 -7 1 0 15.17 0.71 7 1 0 14.15 0.61 -8 -1 0 272.71 7.72 -8 -1 0 264.29 7.92 8 1 0 261.24 7.60 -8 1 0 280.05 7.72 -8 1 0 280.06 7.92 -9 -1 0 19.35 0.98 -9 -1 0 21.55 0.97 -9 1 0 22.19 0.95 -9 1 0 20.83 0.97 -10 -1 0 2.61 0.43 -10 -1 0 2.17 0.42 -10 1 0 2.82 0.43 -10 1 0 3.23 0.43 -11 -1 0 13.50 0.82 -11 -1 0 13.44 0.87 -11 1 0 15.66 0.89 -11 1 0 13.28 0.81 -12 -1 0 108.96 3.29 12 -1 0 111.03 4.31 12 -1 0 111.92 3.54 12 -1 0 108.87 3.63 12 1 0 109.95 4.24 12 1 0 106.00 3.51 13 -1 0 1.81 0.43 13 -1 0 2.19 0.52 13 -1 0 1.95 0.52 13 1 0 2.76 0.52 13 1 0 2.61 0.50 14 -1 0 11.29 0.95 14 -1 0 10.36 0.89 14 -1 0 12.20 0.78 14 -1 0 11.21 0.88 14 1 0 11.61 0.91 14 1 0 12.51 0.87 15 -1 0 4.43 0.58 15 -1 0 3.46 0.59 15 -1 0 2.88 0.49 15 1 0 3.80 0.56 15 1 0 3.77 0.58 16 -1 0 26.29 1.15 16 -1 0 27.81 1.15 16 -1 0 24.99 1.35 16 1 0 25.78 1.34 16 1 0 26.98 1.14 2 -2 0 19.86 0.93 -2 2 0 20.30 0.71 2 2 0 20.39 0.66 2 2 0 19.47 0.64 2 2 0 21.78 0.76 -2 2 0 20.25 0.64 -3 -2 0 289.45 8.05 -3 -2 0 292.28 8.26 3 -2 0 297.73 9.30 -3 2 0 299.08 8.23 3 2 0 298.98 9.35 -3 2 0 295.09 9.30 -3 2 0 276.94 8.02 3 2 0 294.25 8.04 -4 -2 0 9.57 0.43 4 -2 0 10.17 0.48 -4 -2 0 9.75 0.46 4 2 0 9.48 0.46 -4 2 0 10.30 0.45 4 2 0 9.64 0.42 4 2 0 9.64 0.51 -4 2 0 9.53 0.42 -5 -2 0 36.78 1.23 -5 -2 0 37.33 1.19 5 -2 0 35.88 1.33 5 2 0 35.75 1.15 5 2 0 35.02 1.20 5 2 0 36.02 1.39 -5 2 0 36.51 1.20 -5 2 0 35.45 1.16 -6 -2 0 108.40 3.22 6 -2 0 104.71 3.68 -6 -2 0 111.97 3.33 6 2 0 106.34 3.28 6 2 0 111.13 3.18 -6 2 0 115.27 3.30 -6 2 0 109.96 3.20 -7 -2 0 56.88 1.80 -7 -2 0 53.92 1.86 -7 2 0 57.09 1.84 7 2 0 53.33 1.72 7 2 0 52.67 1.81 -7 2 0 56.87 1.78 -8 -2 0 22.87 0.96 -8 -2 0 23.12 1.02 8 2 0 22.48 0.89 -8 2 0 21.70 0.96 -8 2 0 23.50 0.95 -9 -2 0 23.22 1.01 -9 -2 0 22.05 1.04 -9 2 0 23.82 1.00 -9 2 0 22.78 1.02 -10 -2 0 108.61 3.37 -10 -2 0 102.15 3.46 -10 2 0 109.71 3.36 -10 2 0 105.05 3.43 -11 -2 0 51.45 2.03 -11 2 0 53.12 1.92 -12 -2 0 7.21 0.56 12 -2 0 7.27 0.64 12 -2 0 7.20 0.80 12 -2 0 6.75 0.71 12 2 0 5.87 0.66 12 2 0 6.12 0.67 13 -2 0 19.42 1.13 13 -2 0 21.33 1.33 -13 -2 0 21.12 0.90 13 -2 0 19.99 1.05 13 2 0 22.33 1.24 13 2 0 22.50 1.16 14 -2 0 56.43 2.15 14 -2 0 56.81 2.56 14 -2 0 55.01 2.05 14 2 0 57.68 2.47 14 2 0 55.72 2.09 15 -2 0 11.50 0.73 15 -2 0 9.68 0.78 15 -2 0 9.64 0.86 15 2 0 10.55 0.79 15 2 0 9.35 0.81 16 -2 0 24.27 1.32 16 -2 0 25.71 1.10 16 2 0 25.65 1.10 16 2 0 24.27 1.27 1 -3 0 9.24 0.54 1 3 0 9.45 0.34 -2 -3 0 215.25 9.07 2 -3 0 229.05 9.07 -2 3 0 230.19 7.17 2 3 0 235.70 6.39 2 3 0 220.39 6.22 2 3 0 232.98 7.24 -2 3 0 222.82 6.34 -3 -3 0 115.48 3.27 -3 -3 0 113.03 3.37 3 -3 0 118.27 4.77 3 3 0 121.29 3.38 -3 3 0 109.94 3.24 3 3 0 116.60 3.28 3 3 0 121.18 3.83 -3 3 0 117.37 3.33 -4 -3 0 151.13 4.51 -4 -3 0 154.74 4.38 4 3 0 157.54 5.12 4 3 0 160.22 4.51 4 3 0 159.86 4.39 -4 3 0 160.66 4.47 -4 3 0 149.40 4.35 -5 -3 0 171.76 4.90 5 -3 0 165.96 6.21 -5 -3 0 178.07 5.06 5 3 0 175.28 4.89 5 3 0 173.65 5.04 -5 3 0 179.45 5.01 -5 3 0 171.77 4.88 -6 -3 0 8.07 0.51 -6 -3 0 7.08 0.46 6 -3 0 7.29 0.59 -6 3 0 8.12 0.47 6 3 0 7.40 0.46 6 3 0 6.88 0.43 -6 3 0 7.31 0.43 -7 -3 0 0.49 0.24 -7 -3 0 0.07 0.21 7 3 0 0.44 0.21 -7 3 0 0.21 0.21 -7 3 0 0.68 0.22 7 3 0 0.62 0.24 -8 -3 0 6.90 0.58 -8 -3 0 5.82 0.50 -8 3 0 7.41 0.50 8 3 0 6.41 0.46 -8 3 0 6.15 0.49 8 3 0 6.61 0.54 -9 -3 0 74.18 2.44 -9 -3 0 73.40 2.54 -9 3 0 73.39 2.46 9 3 0 77.19 2.35 -9 3 0 74.03 2.41 -10 -3 0 1.73 0.38 -10 -3 0 1.53 0.42 -10 3 0 1.65 0.36 -10 3 0 1.68 0.36 11 -3 0 20.63 0.98 12 -3 0 18.48 1.03 12 -3 0 15.35 1.16 12 -3 0 16.54 0.92 -12 -3 0 16.32 0.84 12 3 0 18.87 1.04 12 3 0 16.42 0.99 13 -3 0 26.42 1.56 -13 -3 0 27.17 1.10 13 -3 0 27.03 1.23 13 -3 0 28.55 1.34 13 3 0 26.39 1.30 13 3 0 27.15 1.41 14 -3 0 1.16 0.36 -14 -3 0 0.55 0.25 14 -3 0 0.44 0.38 14 -3 0 0.42 0.42 14 3 0 0.16 0.34 14 3 0 1.33 0.45 15 -3 0 102.54 4.16 15 -3 0 108.33 3.42 15 -3 0 103.32 3.33 15 3 0 104.31 4.07 15 3 0 105.49 3.34 16 -3 0 6.66 0.55 16 -3 0 6.25 0.55 16 -3 0 6.55 0.52 16 -3 0 6.50 0.69 16 3 0 6.93 0.59 16 3 0 8.10 0.66 0 -4 0 25.64 1.25 -1 -4 0 359.16 14.00 1 -4 0 343.62 13.99 1 4 0 349.38 9.80 2 -4 0 5.00 0.46 -2 -4 0 5.44 0.50 2 4 0 5.15 0.33 2 4 0 5.60 0.31 -2 4 0 5.48 0.23 2 4 0 5.40 0.30 3 -4 0 85.76 3.54 -3 -4 0 83.51 3.57 -3 -4 0 80.65 2.48 -3 -4 0 83.15 2.40 3 4 0 84.84 2.43 3 4 0 86.28 2.50 -3 4 0 84.90 2.43 3 4 0 87.83 2.84 -4 -4 0 5.72 0.36 -4 -4 0 6.26 0.34 4 -4 0 5.68 0.49 -4 4 0 6.61 0.34 4 4 0 6.41 0.36 4 4 0 6.98 0.36 -4 4 0 5.92 0.31 -5 -4 0 34.80 1.14 -5 -4 0 34.09 1.20 5 -4 0 31.62 1.48 5 4 0 35.47 1.15 -5 4 0 35.59 1.15 5 4 0 36.90 1.21 -5 4 0 32.50 1.10 -6 -4 0 6.85 0.47 6 -4 0 7.20 0.64 -6 -4 0 7.64 0.46 -6 4 0 7.29 0.42 6 4 0 9.22 0.48 6 4 0 8.72 0.52 -6 4 0 8.50 0.46 -7 -4 0 301.20 8.39 -7 -4 0 290.58 8.62 7 -4 0 293.44 10.59 -7 4 0 294.13 8.55 -7 4 0 302.81 8.35 7 4 0 295.87 8.60 7 4 0 308.15 8.36 -8 -4 0 -0.29 0.21 -8 -4 0 0.39 0.28 8 4 0 0.37 0.22 8 4 0 0.21 0.22 -8 4 0 0.25 0.22 -8 4 0 -0.04 0.20 -9 -4 0 5.11 0.50 9 4 0 4.15 0.42 -9 4 0 4.05 0.44 -9 4 0 4.46 0.47 -10 -4 0 38.10 1.55 -10 4 0 41.26 1.57 10 4 0 42.39 1.47 -10 4 0 40.63 1.54 -11 -4 0 128.31 3.88 11 -4 0 130.32 5.08 11 -4 0 127.22 3.97 11 -4 0 123.58 4.04 11 4 0 128.98 4.00 12 -4 0 1.73 0.53 -12 -4 0 2.34 0.41 12 -4 0 2.77 0.43 12 -4 0 2.24 0.48 12 4 0 1.87 0.50 12 4 0 2.09 0.41 13 -4 0 69.00 2.40 13 -4 0 68.31 3.05 -13 -4 0 67.22 2.23 13 -4 0 69.16 2.48 13 4 0 68.65 2.44 13 4 0 70.03 2.83 14 -4 0 1.08 0.38 14 -4 0 1.09 0.49 -14 -4 0 1.21 0.29 14 -4 0 0.78 0.41 14 4 0 1.66 0.42 14 4 0 1.35 0.46 15 -4 0 2.82 0.46 15 -4 0 2.14 0.39 15 -4 0 2.27 0.52 15 4 0 3.23 0.50 15 4 0 2.06 0.44 16 -4 0 3.53 0.42 16 -4 0 2.84 0.50 16 -4 0 2.70 0.38 16 -4 0 3.19 0.38 16 4 0 3.65 0.49 16 4 0 3.42 0.43 0 -5 0 -0.06 0.23 0 5 0 -0.04 0.07 -1 -5 0 9.41 0.67 1 -5 0 10.34 0.66 1 5 0 10.08 0.38 1 5 0 10.17 0.43 1 5 0 9.20 0.35 -2 -5 0 2.78 0.42 2 -5 0 3.73 0.41 2 5 0 2.85 0.24 2 5 0 2.79 0.26 2 5 0 2.91 0.22 -3 -5 0 52.22 2.39 -3 -5 0 50.24 1.55 3 -5 0 53.77 2.13 3 -5 0 55.52 2.36 3 5 0 56.12 1.66 -3 5 0 52.98 1.56 3 5 0 54.17 1.60 4 -5 0 36.89 1.72 4 -5 0 37.72 1.59 -4 -5 0 36.56 1.80 -4 -5 0 35.38 1.14 4 5 0 35.76 1.22 4 5 0 37.58 1.18 -4 5 0 37.88 1.15 -5 -5 0 158.46 6.37 -5 -5 0 149.14 4.26 5 -5 0 149.59 5.50 5 -5 0 135.29 5.36 -5 5 0 148.39 4.33 5 5 0 159.71 4.30 5 5 0 149.86 4.41 -6 -5 0 21.85 0.83 6 -5 0 22.92 1.16 -6 -5 0 19.51 1.36 6 5 0 23.30 0.86 -6 5 0 22.57 0.83 -6 5 0 21.10 0.80 6 5 0 21.90 0.90 -7 -5 0 5.58 0.45 7 -5 0 6.70 0.67 7 5 0 5.06 0.47 -7 5 0 5.27 0.42 -7 5 0 5.40 0.42 7 5 0 5.52 0.45 -8 -5 0 4.85 0.46 8 5 0 3.86 0.40 8 5 0 4.76 0.49 -8 5 0 4.28 0.40 -8 5 0 3.82 0.40 -9 -5 0 97.80 3.13 -9 -5 0 105.02 4.74 -9 5 0 98.41 3.16 9 5 0 102.87 3.25 -9 5 0 98.03 3.08 9 5 0 98.27 3.07 10 5 0 4.46 0.47 -10 5 0 4.72 0.51 -10 5 0 4.72 0.51 11 -5 0 14.81 0.89 11 -5 0 14.40 0.79 11 -5 0 12.97 1.18 -11 -5 0 14.74 0.83 11 5 0 12.39 0.87 12 -5 0 7.31 0.66 12 -5 0 8.15 0.96 -12 -5 0 8.68 0.67 12 -5 0 9.18 0.79 12 5 0 8.49 0.78 12 5 0 8.96 0.70 13 -5 0 7.85 0.94 13 -5 0 9.83 0.69 -13 -5 0 7.96 0.62 13 -5 0 8.86 0.77 13 5 0 9.28 0.73 13 5 0 9.50 0.82 -14 -5 0 1.55 0.31 14 -5 0 1.99 0.56 14 -5 0 1.15 0.41 14 -5 0 1.21 0.37 14 5 0 1.44 0.43 14 5 0 1.73 0.42 15 -5 0 47.87 1.74 15 -5 0 47.61 1.72 -15 -5 0 46.83 1.50 15 -5 0 46.68 2.18 15 5 0 48.22 1.74 15 5 0 46.08 2.03 16 -5 0 10.37 0.62 16 -5 0 9.37 0.60 16 -5 0 9.16 0.76 16 5 0 11.65 0.65 16 5 0 10.21 0.71 0 -6 0 268.23 10.77 0 6 0 264.20 7.44 1 -6 0 39.06 1.81 -1 -6 0 40.70 1.84 1 6 0 35.30 1.12 1 6 0 38.76 1.16 1 6 0 37.76 1.31 2 -6 0 42.96 1.90 2 -6 0 38.92 1.69 -2 -6 0 42.21 1.94 2 6 0 38.50 1.43 2 6 0 38.29 1.22 2 6 0 42.76 1.27 3 -6 0 201.99 7.42 3 -6 0 211.60 8.45 -3 -6 0 207.85 8.51 3 6 0 204.74 5.77 3 6 0 211.94 5.92 -3 6 0 205.28 5.81 4 -6 0 98.41 4.06 4 -6 0 88.42 3.51 -4 -6 0 98.75 4.17 4 -6 0 94.67 3.64 4 6 0 94.16 2.77 4 6 0 97.09 2.86 -4 6 0 94.41 2.75 -5 -6 0 2.58 0.56 5 -6 0 2.15 0.33 5 -6 0 2.31 0.44 5 6 0 1.64 0.26 -5 6 0 1.82 0.21 5 6 0 2.34 0.31 6 -6 0 14.47 0.93 6 -6 0 13.29 0.76 -6 -6 0 13.65 1.10 6 6 0 14.63 0.69 -6 6 0 14.96 0.62 6 6 0 15.58 0.67 7 -6 0 73.75 2.98 -7 6 0 69.34 2.24 7 6 0 72.06 2.36 7 6 0 72.85 2.26 8 -6 0 24.80 1.36 -8 -6 0 23.91 1.72 -8 6 0 24.82 0.99 8 6 0 24.26 1.06 8 6 0 23.17 0.98 9 6 0 51.14 1.74 -9 6 0 48.48 1.75 9 6 0 50.79 1.86 -10 6 0 59.34 2.13 10 6 0 63.21 2.09 -11 -6 0 21.00 1.05 11 -6 0 26.00 1.61 11 -6 0 22.18 1.12 11 -6 0 21.36 1.02 11 6 0 21.18 1.14 12 -6 0 0.00 0.30 12 -6 0 0.65 0.51 -12 -6 0 0.45 0.33 12 -6 0 0.57 0.38 12 6 0 -0.18 0.38 12 6 0 0.63 0.30 13 -6 0 23.71 1.20 -13 -6 0 26.31 1.10 13 -6 0 26.33 1.61 13 -6 0 23.57 1.14 13 6 0 26.80 1.30 13 6 0 27.07 1.26 14 -6 0 27.79 1.19 14 -6 0 28.34 1.23 -14 -6 0 26.35 1.06 14 -6 0 25.74 1.56 14 6 0 24.97 1.32 14 6 0 27.78 1.24 15 -6 0 5.17 0.51 15 -6 0 3.64 0.47 15 -6 0 4.76 0.65 -15 -6 0 4.84 0.38 15 6 0 4.43 0.51 15 6 0 4.85 0.54 16 -6 0 9.94 0.60 16 -6 0 10.88 0.78 16 -6 0 9.83 0.58 16 6 0 9.79 0.68 16 6 0 9.92 0.59 0 -7 0 -0.05 0.25 0 7 0 0.14 0.08 1 -7 0 25.62 1.33 1 -7 0 22.84 1.15 -1 -7 0 25.68 1.37 1 7 0 26.03 0.80 1 7 0 23.58 0.77 -2 -7 0 182.08 7.48 2 -7 0 175.23 6.49 2 -7 0 165.97 6.41 2 -7 0 188.28 7.43 2 7 0 186.47 5.13 2 7 0 179.75 5.00 3 -7 0 3.71 0.51 3 -7 0 3.37 0.47 3 -7 0 2.77 0.36 -3 -7 0 3.36 0.55 3 7 0 2.79 0.26 3 7 0 2.92 0.28 4 -7 0 193.62 7.21 4 -7 0 208.89 8.29 4 -7 0 206.41 7.34 -4 -7 0 199.34 8.42 4 7 0 199.66 5.67 4 7 0 208.58 5.84 -4 7 0 195.58 5.68 5 -7 0 83.25 3.31 -5 -7 0 83.83 3.84 5 -7 0 80.08 3.14 5 7 0 79.71 2.49 5 7 0 85.76 2.59 -5 7 0 83.57 2.44 -6 -7 0 30.03 1.88 6 -7 0 32.68 1.42 6 -7 0 30.66 1.59 -6 7 0 31.64 1.08 6 7 0 31.99 1.21 6 7 0 32.74 1.15 -7 -7 0 2.38 0.70 7 -7 0 2.73 0.53 7 7 0 2.69 0.38 7 7 0 2.63 0.34 -7 7 0 3.05 0.31 8 -7 0 78.72 3.23 -8 -7 0 70.25 3.83 -8 7 0 76.20 2.43 8 7 0 79.46 2.45 8 7 0 76.29 2.56 -9 7 0 34.63 1.30 9 7 0 33.26 1.31 10 -7 0 7.19 0.57 11 -7 0 35.84 2.05 11 -7 0 31.52 1.32 -11 -7 0 34.54 1.40 11 -7 0 32.93 1.41 11 7 0 32.61 1.44 -12 -7 0 41.44 1.59 12 -7 0 41.90 2.26 12 -7 0 40.78 1.65 12 -7 0 40.54 1.58 12 7 0 42.26 1.70 13 -7 0 16.39 0.96 -13 -7 0 16.82 0.85 13 -7 0 16.61 0.91 13 -7 0 18.55 1.35 13 7 0 16.06 0.96 13 7 0 18.16 1.01 -14 -7 0 8.53 0.56 14 -7 0 8.99 0.64 14 -7 0 8.04 0.90 14 -7 0 9.85 0.70 14 7 0 8.47 0.68 14 7 0 8.46 0.70 15 -7 0 21.71 0.97 15 -7 0 22.94 0.98 -15 -7 0 22.07 0.85 15 7 0 22.05 1.13 15 7 0 22.41 0.98 16 -7 0 32.87 1.19 16 -7 0 31.90 1.12 0 -8 0 168.08 6.91 0 -8 0 158.96 5.93 0 -8 0 161.11 5.98 0 8 0 168.89 4.65 -1 -8 0 14.54 0.85 1 -8 0 15.37 0.84 1 -8 0 15.61 0.90 1 -8 0 16.82 1.03 -1 -8 0 16.71 1.06 1 8 0 16.62 0.58 2 -8 0 58.92 2.42 2 -8 0 54.03 2.32 2 -8 0 62.49 2.74 -2 -8 0 60.44 2.82 2 8 0 57.50 1.75 2 8 0 60.82 1.81 3 -8 0 1.96 0.36 3 -8 0 2.39 0.47 -3 -8 0 2.55 0.58 3 -8 0 1.47 0.42 3 8 0 1.96 0.26 3 8 0 1.73 0.24 4 -8 0 247.27 10.31 -4 -8 0 267.94 10.54 4 -8 0 247.07 8.99 4 -8 0 249.37 9.12 4 8 0 258.98 7.26 4 8 0 244.06 7.05 5 -8 0 5.38 0.65 -5 -8 0 6.76 0.88 5 -8 0 5.36 0.54 5 8 0 6.05 0.44 5 8 0 5.51 0.39 6 -8 0 60.77 2.58 -6 -8 0 57.85 3.05 6 -8 0 57.44 2.37 6 8 0 57.67 1.97 6 8 0 58.84 1.90 7 -8 0 5.61 0.72 -7 -8 0 6.04 0.99 7 8 0 5.18 0.50 7 8 0 6.27 0.50 8 -8 0 25.07 1.46 8 8 0 24.84 1.03 8 8 0 22.93 1.09 9 -8 0 0.10 0.46 9 8 0 0.49 0.30 -10 -8 0 156.53 4.71 10 -8 0 158.07 4.67 -10 -8 0 159.80 8.31 10 -8 0 141.12 6.28 10 -8 0 160.03 4.74 10 8 0 155.29 4.72 11 -8 0 2.27 0.75 11 -8 0 2.00 0.39 -11 -8 0 2.36 0.47 11 -8 0 2.73 0.50 11 8 0 1.22 0.45 12 -8 0 5.68 0.94 12 -8 0 7.48 0.62 -12 -8 0 6.89 0.63 12 -8 0 7.33 0.66 12 8 0 8.02 0.72 13 -8 0 1.89 0.40 -13 -8 0 1.68 0.37 13 -8 0 1.51 0.43 13 -8 0 1.98 0.61 13 8 0 1.32 0.34 13 8 0 1.07 0.42 -14 -8 0 31.53 1.18 14 -8 0 30.33 1.23 14 -8 0 31.56 1.25 14 -8 0 31.94 1.72 14 8 0 28.56 1.23 14 8 0 31.45 1.43 15 -8 0 0.63 0.27 15 -8 0 0.16 0.37 15 -8 0 0.15 0.26 -15 -8 0 -0.07 0.18 15 -8 0 0.12 0.26 15 8 0 0.34 0.27 15 8 0 -0.18 0.27 0 -9 0 -0.02 0.20 0 -9 0 0.11 0.31 0 -9 0 -0.17 0.30 0 9 0 -0.17 0.09 1 -9 0 8.08 0.76 1 -9 0 6.58 0.66 -1 -9 0 9.27 0.82 -1 -9 0 6.48 0.54 1 -9 0 7.34 0.58 1 9 0 7.76 0.35 -2 -9 0 232.14 9.19 2 -9 0 220.29 9.07 2 -9 0 213.55 7.95 2 -9 0 212.28 7.85 2 9 0 216.75 6.24 3 -9 0 3.11 0.54 3 -9 0 2.76 0.52 3 -9 0 3.28 0.44 -3 -9 0 3.67 0.66 3 9 0 3.80 0.32 3 9 0 3.93 0.32 4 -9 0 109.36 4.23 -4 -9 0 111.49 4.91 4 -9 0 106.23 4.06 4 -9 0 107.43 4.67 4 9 0 102.84 3.15 4 9 0 107.16 3.25 5 -9 0 9.49 0.72 5 -9 0 10.29 0.86 -5 -9 0 9.53 1.12 5 9 0 10.22 0.57 5 9 0 10.11 0.54 6 -9 0 104.13 4.17 6 -9 0 102.50 3.93 6 9 0 105.93 3.24 6 9 0 98.89 3.11 7 -9 0 14.65 1.09 7 9 0 13.10 0.70 7 9 0 13.76 0.76 8 -9 0 106.18 4.26 8 9 0 97.24 3.31 8 9 0 104.32 3.20 9 -9 0 0.17 0.50 -9 -9 0 2.41 0.50 -10 -9 0 2.82 0.60 10 -9 0 1.77 0.73 10 -9 0 2.11 0.36 -10 -9 0 1.96 0.42 10 -9 0 1.77 0.41 10 9 0 1.45 0.45 11 -9 0 0.90 0.32 -11 -9 0 1.00 0.39 11 -9 0 0.49 0.37 11 -9 0 1.11 0.64 11 9 0 1.01 0.42 12 -9 0 71.98 3.32 12 -9 0 69.66 2.35 12 -9 0 68.42 2.36 -12 -9 0 70.88 2.37 12 9 0 67.96 2.38 -13 -9 0 0.94 0.34 13 -9 0 1.10 0.53 13 -9 0 1.08 0.34 13 -9 0 0.44 0.34 13 9 0 0.75 0.30 13 9 0 1.20 0.40 -14 -9 0 12.95 0.68 14 -9 0 13.12 0.73 14 -9 0 13.13 0.69 14 -9 0 14.22 1.06 14 9 0 13.85 0.82 -15 -9 0 1.93 0.26 15 -9 0 1.85 0.33 15 -9 0 2.09 0.34 15 -9 0 1.76 0.43 15 9 0 2.40 0.36 0 -10 0 82.17 3.26 0 -10 0 84.18 3.77 0 -10 0 79.88 3.16 -1 -10 0 14.79 0.86 -1 -10 0 15.65 1.15 1 -10 0 15.11 0.89 1 -10 0 16.74 1.13 1 -10 0 15.59 0.99 1 10 0 17.20 0.60 -2 -10 0 53.23 2.72 2 -10 0 56.88 2.66 2 -10 0 51.19 2.36 2 -10 0 54.43 2.26 2 10 0 55.93 1.71 3 -10 0 46.00 2.27 -3 -10 0 47.94 2.47 3 -10 0 44.01 2.10 3 -10 0 44.71 1.96 3 10 0 44.66 1.49 -4 -10 0 238.94 9.82 4 -10 0 224.31 8.28 4 -10 0 229.29 8.46 4 -10 0 234.60 9.52 4 10 0 229.22 6.64 4 10 0 219.87 6.47 -5 -10 0 7.49 1.05 5 -10 0 6.66 0.80 5 -10 0 5.81 0.60 5 10 0 5.78 0.46 5 10 0 6.49 0.47 6 -10 0 31.18 1.46 -6 -10 0 24.77 1.98 6 -10 0 33.06 1.71 6 10 0 29.03 1.13 6 10 0 28.97 1.18 7 -10 0 16.21 1.19 7 10 0 15.61 0.80 7 10 0 16.87 0.86 8 -10 0 21.47 1.46 8 10 0 23.28 1.03 -9 -10 0 22.18 1.03 9 -10 0 20.92 1.72 -9 -10 0 24.44 1.22 9 -10 0 23.30 0.88 -9 -10 0 24.27 1.82 9 -10 0 25.17 1.58 9 -10 0 24.66 1.02 9 -10 0 24.04 1.23 10 -10 0 129.74 3.95 10 -10 0 131.41 3.94 -10 -10 0 130.54 7.05 -10 -10 0 126.32 4.02 11 -10 0 12.43 0.78 -11 -10 0 14.63 0.86 11 -10 0 12.94 1.40 11 -10 0 13.04 0.74 12 -10 0 0.30 0.55 12 -10 0 0.63 0.34 12 -10 0 0.21 0.29 -12 -10 0 0.35 0.32 13 -10 0 1.15 0.32 13 -10 0 1.22 0.32 -13 -10 0 1.38 0.33 13 -10 0 1.54 0.54 13 10 0 1.33 0.32 -14 -10 0 51.94 1.68 14 -10 0 47.94 2.28 14 -10 0 51.55 1.74 14 10 0 51.37 2.07 15 -10 0 1.11 0.37 -15 -10 0 1.37 0.23 15 -10 0 1.18 0.26 15 10 0 1.24 0.29 0 -11 0 0.00 0.32 0 -11 0 0.52 0.35 0 -11 0 -0.12 0.20 -1 -11 0 5.53 0.55 1 -11 0 4.77 0.69 -1 -11 0 5.16 0.76 1 -11 0 4.94 0.66 1 -11 0 5.26 0.56 2 -11 0 30.43 1.65 2 -11 0 33.36 1.83 2 -11 0 33.40 1.56 -2 -11 0 32.18 1.91 2 11 0 33.12 1.11 3 -11 0 18.44 1.02 -3 -11 0 18.18 1.35 3 -11 0 17.27 1.18 3 -11 0 15.61 1.13 3 11 0 17.22 0.72 4 -11 0 31.78 1.69 4 -11 0 31.15 1.73 4 -11 0 32.05 1.52 4 11 0 30.02 1.13 4 11 0 28.73 1.10 5 -11 0 101.54 4.13 -5 -11 0 99.92 4.85 5 -11 0 102.01 3.90 5 11 0 94.51 3.01 5 11 0 99.80 3.12 6 -11 0 20.74 1.37 6 11 0 18.00 0.85 6 11 0 19.17 0.92 7 -11 0 13.69 1.15 7 11 0 13.30 0.74 8 -11 0 41.52 1.29 8 -11 0 40.67 1.97 -8 -11 0 41.17 1.67 8 -11 0 40.01 1.91 -8 -11 0 41.67 1.57 8 -11 0 45.03 2.43 -8 -11 0 45.84 2.99 8 -11 0 40.24 2.21 9 -11 0 21.64 0.80 -9 -11 0 20.70 1.75 9 -11 0 17.47 1.71 9 -11 0 21.35 1.16 -9 -11 0 21.59 0.98 9 -11 0 20.02 1.45 -9 -11 0 19.71 1.08 -10 -11 0 1.15 0.43 10 -11 0 -0.43 0.57 -10 -11 0 0.32 0.36 -10 -11 0 0.48 0.27 -10 -11 0 1.05 0.53 11 -11 0 10.58 0.65 -11 -11 0 10.45 0.74 11 -11 0 9.70 1.22 12 -11 0 40.89 1.52 12 -11 0 43.10 2.29 -12 -11 0 41.65 1.56 13 -11 0 4.21 0.45 -13 -11 0 4.45 0.45 13 -11 0 4.66 0.74 13 11 0 3.99 0.45 14 -11 0 7.73 0.53 14 -11 0 7.19 0.50 14 -11 0 8.07 0.77 -14 -11 0 8.09 0.49 14 11 0 7.96 0.56 0 -12 0 16.66 1.28 0 -12 0 19.38 1.05 1 -12 0 43.99 2.31 1 -12 0 42.50 1.92 1 -12 0 44.06 2.09 -1 -12 0 40.61 1.88 -1 -12 0 45.87 2.40 2 -12 0 7.50 0.67 2 -12 0 6.33 0.79 2 -12 0 7.48 0.86 -2 -12 0 7.48 0.97 3 -12 0 40.87 2.08 -3 -12 0 40.39 2.38 3 -12 0 40.88 2.20 3 -12 0 43.07 1.92 3 12 0 42.06 1.42 -4 -12 0 12.92 1.31 4 -12 0 15.83 1.15 4 -12 0 15.92 1.01 4 -12 0 15.43 1.15 4 12 0 16.13 0.73 5 -12 0 22.11 1.24 5 -12 0 23.75 1.47 5 12 0 20.73 0.92 5 12 0 21.96 0.96 6 -12 0 7.69 0.98 6 12 0 8.32 0.58 7 -12 0 106.21 4.24 -7 -12 0 104.10 3.42 7 -12 0 112.30 4.52 -7 -12 0 97.78 6.25 7 -12 0 105.32 2.89 7 -12 0 103.42 4.22 -7 -12 0 107.30 3.36 7 -12 0 109.32 4.52 -8 -12 0 3.55 0.45 8 -12 0 2.35 0.48 8 -12 0 2.45 0.26 8 -12 0 4.57 0.90 8 -12 0 3.33 0.75 8 -12 0 2.64 0.67 -8 -12 0 2.28 0.47 -8 -12 0 1.06 1.06 -9 -12 0 10.16 1.30 9 -12 0 11.41 0.82 9 -12 0 11.04 1.17 9 -12 0 8.49 1.19 -9 -12 0 12.19 0.82 9 -12 0 11.96 0.56 -9 -12 0 11.74 0.70 -10 -12 0 7.98 0.56 -10 -12 0 8.60 0.73 10 -12 0 7.14 0.47 -10 -12 0 7.29 1.02 10 -12 0 5.98 1.08 11 -12 0 50.07 1.80 -11 -12 0 55.47 1.92 11 -12 0 54.46 2.81 -12 -12 0 3.25 0.43 12 -12 0 2.26 0.67 12 -12 0 3.20 0.39 -13 -12 0 42.41 1.47 13 -12 0 43.89 1.48 13 -12 0 40.53 1.49 13 -12 0 41.77 2.06 13 12 0 43.26 1.75 14 -12 0 4.81 0.40 14 -12 0 5.65 0.70 14 -12 0 4.17 0.55 -14 -12 0 5.17 0.39 14 12 0 5.40 0.44 0 -13 0 -0.22 0.37 0 -13 0 0.13 0.27 -1 -13 0 40.07 1.80 1 -13 0 35.97 2.15 -1 -13 0 41.39 2.29 1 -13 0 39.76 1.83 1 -13 0 38.67 2.00 -2 -13 0 0.29 0.51 2 -13 0 -0.21 0.43 2 -13 0 0.36 0.41 2 -13 0 -0.26 0.24 3 -13 0 13.01 1.06 3 -13 0 10.61 0.85 3 -13 0 11.59 1.13 -3 -13 0 12.12 1.35 4 -13 0 1.17 0.48 4 -13 0 0.75 0.36 4 -13 0 1.15 0.53 5 -13 0 122.94 4.84 5 -13 0 115.39 4.61 -5 -13 0 108.47 6.63 6 -13 0 1.99 0.71 6 -13 0 1.18 0.33 6 -13 0 1.29 0.51 6 -13 0 1.18 0.42 -6 -13 0 1.00 0.33 6 -13 0 1.03 0.64 -6 -13 0 0.24 1.69 -6 -13 0 1.10 0.38 7 -13 0 5.38 0.86 7 -13 0 4.00 0.59 7 -13 0 4.93 0.87 7 -13 0 4.27 0.28 -7 -13 0 4.69 0.51 -7 -13 0 4.67 0.57 -7 -13 0 3.11 1.72 7 -13 0 4.38 0.67 -8 -13 0 0.02 0.35 -8 -13 0 -1.00 0.96 8 -13 0 1.17 0.60 8 -13 0 0.77 0.34 8 -13 0 0.92 0.59 8 -13 0 0.19 0.56 -8 -13 0 0.56 0.30 8 -13 0 0.20 0.16 9 -13 0 36.78 1.19 -9 -13 0 34.33 2.58 -9 -13 0 38.84 1.55 -9 -13 0 37.00 1.42 9 -13 0 31.02 2.16 9 -13 0 39.44 1.74 10 -13 0 0.07 0.61 -10 -13 0 -0.88 0.48 10 -13 0 0.29 0.19 -10 -13 0 -0.01 0.24 11 -13 0 16.06 0.68 11 -13 0 15.06 1.34 -11 -13 0 14.16 0.82 -12 -13 0 0.10 0.30 12 -13 0 1.20 0.52 12 -13 0 0.96 0.62 -12 -13 0 0.24 0.29 12 -13 0 0.12 0.21 13 -13 0 31.41 1.14 13 -13 0 30.05 1.59 13 -13 0 31.43 1.84 13 13 0 33.89 1.37 0 -14 0 14.20 0.97 0 -14 0 15.09 1.26 1 -14 0 49.04 2.69 1 -14 0 53.00 2.28 -1 -14 0 49.53 2.78 2 -14 0 0.07 0.43 2 -14 0 0.01 0.49 -2 -14 0 0.21 0.54 2 -14 0 0.09 0.30 3 -14 0 128.85 5.03 3 -14 0 114.20 4.86 3 -14 0 125.06 4.75 3 -14 0 117.90 5.44 4 -14 0 32.86 2.03 -4 -14 0 30.38 1.25 4 -14 0 33.67 1.90 -4 -14 0 31.87 1.24 4 -14 0 30.66 1.58 4 -14 0 29.25 1.68 -4 -14 0 32.21 2.52 4 -14 0 30.97 1.72 5 -14 0 1.94 0.51 5 -14 0 1.25 0.50 -5 -14 0 0.85 1.22 -5 -14 0 1.30 0.36 5 -14 0 2.21 0.69 -5 -14 0 1.64 0.37 5 -14 0 1.50 0.37 5 -14 0 2.90 0.80 6 -14 0 1.79 0.47 -6 -14 0 1.93 0.42 -6 -14 0 2.21 0.40 -6 -14 0 1.54 1.86 6 -14 0 2.14 0.41 6 -14 0 2.84 0.83 6 -14 0 2.19 0.69 6 -14 0 1.91 0.59 -7 -14 0 89.07 2.95 7 -14 0 89.71 2.46 7 -14 0 91.03 3.97 -7 -14 0 91.36 2.91 7 -14 0 88.13 3.68 7 -14 0 86.25 3.64 -7 -14 0 83.29 5.53 7 -14 0 87.53 3.94 7 -14 0 92.35 4.61 8 -14 0 5.46 0.63 8 -14 0 5.02 0.33 -8 -14 0 4.84 0.51 8 -14 0 6.22 0.96 8 -14 0 6.00 1.23 -8 -14 0 4.23 1.25 -8 -14 0 4.85 0.57 -9 -14 0 40.83 1.48 9 -14 0 40.84 1.26 9 -14 0 36.90 2.30 -9 -14 0 35.59 2.69 9 -14 0 41.81 1.83 10 -14 0 30.16 2.32 10 -14 0 29.13 1.95 -10 -14 0 32.73 2.18 10 -14 0 33.27 1.07 -10 -14 0 31.26 1.21 11 -14 0 24.41 1.85 11 -14 0 23.57 0.84 -11 -14 0 21.60 0.90 -11 -14 0 22.22 1.04 11 -14 0 23.39 1.58 12 -14 0 0.19 0.17 -12 -14 0 0.51 0.27 12 -14 0 0.19 0.53 -12 -14 0 0.28 0.27 12 -14 0 -0.13 0.41 13 -14 0 30.62 1.75 13 14 0 33.53 1.34 0 -15 0 0.26 0.33 0 -15 0 -0.16 0.16 0 -15 0 0.26 0.78 0 -15 0 -0.06 0.32 0 -15 0 0.50 0.45 0 -15 0 -0.13 0.30 1 -15 0 20.75 0.72 -1 -15 0 19.89 1.29 1 -15 0 20.43 1.48 1 -15 0 21.28 1.29 1 -15 0 21.57 1.24 1 -15 0 20.27 1.38 -1 -15 0 20.27 0.80 -1 -15 0 21.92 1.46 -1 -15 0 21.33 2.06 -1 -15 0 23.89 1.30 1 -15 0 21.11 1.28 2 -15 0 16.21 1.10 -2 -15 0 14.92 1.08 2 -15 0 16.35 1.06 -2 -15 0 14.97 1.71 -2 -15 0 14.23 0.70 2 -15 0 15.59 1.06 2 -15 0 14.61 1.16 2 -15 0 15.71 1.30 2 -15 0 15.35 1.28 3 -15 0 13.12 1.19 3 -15 0 12.24 1.03 -3 -15 0 9.32 1.46 3 -15 0 10.93 0.94 -3 -15 0 11.60 0.68 3 -15 0 10.48 0.84 3 -15 0 11.18 1.21 4 -15 0 2.60 0.58 4 -15 0 1.30 0.48 4 -15 0 1.22 0.62 -4 -15 0 1.87 0.34 -4 -15 0 1.68 0.35 4 -15 0 1.68 0.38 4 -15 0 1.89 0.70 -4 -15 0 1.84 0.99 5 -15 0 27.55 1.60 -5 -15 0 24.13 2.78 5 -15 0 24.46 1.70 -5 -15 0 25.75 1.09 5 -15 0 24.58 1.34 5 -15 0 25.64 1.50 5 -15 0 25.21 1.84 -5 -15 0 24.82 1.11 6 -15 0 25.36 1.62 -6 -15 0 29.54 3.35 6 -15 0 25.27 1.94 -6 -15 0 25.00 1.12 6 -15 0 24.73 1.34 6 -15 0 22.75 1.65 6 -15 0 24.26 1.43 -6 -15 0 24.21 1.10 7 -15 0 0.31 0.33 7 -15 0 0.20 0.48 -7 -15 0 0.33 1.51 -7 -15 0 0.43 0.30 7 -15 0 0.58 0.71 8 -15 0 36.77 1.73 8 -15 0 36.85 1.12 8 -15 0 36.98 2.16 -8 -15 0 36.98 1.41 8 -15 0 33.11 2.54 -8 -15 0 33.44 2.71 9 -15 0 32.55 2.08 -9 -15 0 34.78 2.44 9 -15 0 36.43 1.12 -9 -15 0 35.74 1.33 -10 -15 0 -0.48 0.48 10 -15 0 -0.32 0.69 -10 -15 0 0.26 0.22 10 -15 0 -0.17 0.53 10 -15 0 0.00 0.16 11 -15 0 11.02 0.50 11 -15 0 13.38 1.37 11 -15 0 11.82 1.10 -11 -15 0 10.85 0.66 -11 -15 0 11.73 0.56 12 -15 0 31.77 1.56 12 -15 0 31.02 1.78 12 -15 0 29.72 0.96 -12 -15 0 30.69 1.14 0 -16 0 301.10 11.51 0 -16 0 300.66 8.06 0 -16 0 294.09 12.30 0 -16 0 309.20 10.95 1 -16 0 3.47 0.56 1 -16 0 3.18 0.27 1 -16 0 2.73 0.67 -1 -16 0 4.26 0.64 -1 -16 0 3.39 0.32 1 -16 0 3.54 0.59 1 -16 0 3.80 0.69 -1 -16 0 3.09 1.00 2 -16 0 18.53 1.19 -2 -16 0 16.75 1.85 2 -16 0 17.83 1.41 -2 -16 0 17.06 0.73 -2 -16 0 17.96 1.18 2 -16 0 17.00 1.25 2 -16 0 15.79 1.09 3 -16 0 25.87 1.40 -3 -16 0 24.73 1.05 -3 -16 0 24.61 2.23 3 -16 0 24.69 1.52 3 -16 0 24.80 1.47 3 -16 0 24.80 1.73 3 -16 0 25.48 1.74 4 -16 0 51.23 2.51 4 -16 0 56.56 2.45 4 -16 0 55.07 2.95 4 -16 0 53.36 2.73 -4 -16 0 52.15 1.87 -4 -16 0 52.59 3.84 4 -16 0 55.11 2.55 -5 -16 0 8.86 2.08 5 -16 0 4.43 0.68 -5 -16 0 4.02 0.47 5 -16 0 5.21 0.75 5 -16 0 4.53 0.93 5 -16 0 4.31 0.55 -6 -16 0 63.57 4.50 6 -16 0 61.03 3.35 6 -16 0 57.80 2.64 6 -16 0 56.76 2.81 6 -16 0 60.77 2.63 -6 -16 0 57.91 2.05 7 -16 0 26.47 1.48 -7 -16 0 22.10 2.53 7 -16 0 23.90 1.32 7 -16 0 24.26 1.62 7 -16 0 23.35 1.97 -7 -16 0 22.13 1.04 8 -16 0 6.09 0.61 8 -16 0 6.20 0.90 8 -16 0 2.71 0.93 -8 -16 0 2.59 1.05 -8 -16 0 5.29 0.48 9 -16 0 5.75 0.92 -9 -16 0 5.26 0.97 -9 -16 0 7.39 0.49 -9 -16 0 7.52 0.61 9 -16 0 5.47 1.07 9 -16 0 6.59 0.35 10 -16 0 37.00 2.33 10 -16 0 35.86 2.00 -10 -16 0 40.92 1.45 -10 -16 0 37.19 1.31 -11 -16 0 1.65 0.32 -11 -16 0 1.88 0.25 11 -16 0 2.95 0.55 11 -16 0 2.44 0.66 0 -17 0 -0.08 0.26 0 -17 0 -0.11 0.15 1 -17 0 7.38 0.87 -1 -17 0 7.47 0.79 1 -17 0 6.62 0.38 -1 -17 0 7.84 1.36 -1 -17 0 6.83 0.45 1 -17 0 8.29 0.84 1 -17 0 7.77 0.96 1 -17 0 8.56 0.76 -2 -17 0 59.83 4.15 2 -17 0 67.40 2.85 2 -17 0 66.29 2.85 -2 -17 0 62.45 1.92 2 -17 0 63.79 3.23 2 -17 0 63.05 2.90 -2 -17 0 64.35 2.89 3 -17 0 1.28 0.38 -3 -17 0 1.89 0.34 3 -17 0 1.19 0.43 3 -17 0 1.01 0.48 3 -17 0 1.37 0.62 -3 -17 0 0.92 0.99 4 -17 0 13.66 1.09 4 -17 0 16.19 1.42 -4 -17 0 16.27 2.24 -4 -17 0 14.80 0.77 -4 -17 0 14.71 0.68 4 -17 0 14.25 1.12 4 -17 0 15.64 0.98 -5 -17 0 3.31 2.01 5 -17 0 1.53 0.51 5 -17 0 1.38 0.69 -5 -17 0 1.17 0.32 5 -17 0 0.99 0.45 -5 -17 0 1.07 0.31 5 -17 0 1.21 0.38 -6 -17 0 42.37 1.58 -6 -17 0 45.40 1.63 6 -17 0 43.76 2.71 6 -17 0 48.51 2.16 6 -17 0 43.68 2.09 6 -17 0 46.56 2.31 -6 -17 0 43.20 3.64 7 -17 0 1.23 0.54 7 -17 0 -0.11 0.61 -7 -17 0 0.08 0.28 -7 -17 0 0.02 0.24 -7 -17 0 -0.92 1.11 7 -17 0 0.63 0.32 -8 -17 0 52.09 3.47 8 -17 0 54.37 2.73 8 -17 0 60.84 2.42 -8 -17 0 58.32 1.97 -8 -17 0 58.96 1.91 9 -17 0 0.52 0.50 -9 -17 0 1.58 0.27 -9 -17 0 1.50 0.35 -9 -17 0 0.06 0.56 9 -17 0 0.79 0.67 10 -17 0 2.71 0.72 -10 -17 0 2.36 0.35 10 -17 0 3.64 0.61 -10 -17 0 2.98 0.28 -11 -17 0 0.51 0.23 0 -18 0 52.58 1.54 0 -18 0 51.36 2.39 -1 -18 0 20.06 0.78 1 -18 0 23.00 1.27 -1 -18 0 20.78 2.08 1 -18 0 20.02 1.32 -1 -18 0 22.12 1.28 1 -18 0 22.45 0.71 2 -18 0 0.22 0.29 2 -18 0 1.03 0.44 -2 -18 0 0.30 0.32 -2 -18 0 0.17 0.18 2 -18 0 1.18 0.41 -2 -18 0 0.77 0.92 2 -18 0 0.71 0.51 3 -18 0 5.00 0.68 3 -18 0 5.06 0.84 3 -18 0 4.01 0.66 -3 -18 0 4.30 0.42 -3 -18 0 3.84 1.54 3 -18 0 4.50 0.56 4 -18 0 32.57 1.59 4 -18 0 32.71 2.06 4 -18 0 30.94 1.67 -4 -18 0 31.12 1.21 4 -18 0 32.26 1.73 -4 -18 0 34.79 3.46 -5 -18 0 13.86 0.66 5 -18 0 14.13 1.03 -5 -18 0 14.92 0.75 5 -18 0 15.85 1.04 5 -18 0 15.39 1.41 5 -18 0 14.90 1.12 -5 -18 0 13.51 2.28 6 -18 0 49.97 2.18 6 -18 0 46.90 2.30 -6 -18 0 46.93 1.57 -6 -18 0 45.17 3.37 -6 -18 0 44.02 1.60 6 -18 0 44.42 2.71 6 -18 0 47.56 2.11 -7 -18 0 1.41 0.29 7 -18 0 1.20 0.71 7 -18 0 1.46 0.53 -7 -18 0 1.45 0.32 -7 -18 0 0.96 0.93 7 -18 0 1.63 0.37 -8 -18 0 11.91 0.57 -8 -18 0 11.08 0.63 8 -18 0 10.68 1.02 -8 -18 0 9.06 1.15 9 -18 0 0.16 0.37 9 -18 0 -0.16 0.53 -9 -18 0 -0.04 0.16 -9 -18 0 0.08 0.24 0 -19 0 -0.03 0.12 0 -19 0 0.35 0.28 -1 -19 0 4.18 0.29 -1 -19 0 3.49 0.51 1 -19 0 4.30 0.24 1 -19 0 3.96 0.52 2 -19 0 43.79 2.06 -2 -19 0 38.87 3.30 2 -19 0 45.50 2.01 -2 -19 0 44.43 1.35 3 -19 0 2.76 0.42 3 -19 0 2.80 0.53 -3 -19 0 2.42 0.30 3 -19 0 2.78 0.68 -3 -19 0 2.86 1.87 3 -19 0 2.23 0.48 -4 -19 0 28.50 1.04 4 -19 0 26.86 1.79 -4 -19 0 31.16 3.16 4 -19 0 26.97 1.46 4 -19 0 28.24 1.52 4 -19 0 26.46 1.40 5 -19 0 16.47 1.03 -5 -19 0 21.16 2.32 5 -19 0 20.98 1.22 -5 -19 0 15.27 0.74 5 -19 0 18.33 1.46 5 -19 0 16.91 1.15 -6 -19 0 8.49 0.53 -6 -19 0 8.48 1.36 6 -19 0 10.34 0.73 6 -19 0 8.86 1.14 6 -19 0 11.59 0.93 7 -19 0 0.38 0.39 7 -19 0 0.12 0.57 -7 -19 0 0.96 0.73 -7 -19 0 -0.11 0.19 -7 -19 0 -0.12 0.22 8 -19 0 6.52 0.74 -8 -19 0 8.61 0.43 -8 -19 0 6.89 0.44 -8 -19 0 7.21 0.91 8 -19 0 5.09 0.83 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29.21 1.36 -2 -6 3 26.44 1.46 2 -6 -3 27.20 1.25 -2 6 3 27.80 0.84 2 6 -3 28.39 0.88 1 -6 -3 102.09 4.25 -1 -6 3 108.46 4.37 1 6 -3 99.50 2.83 -1 6 3 96.70 2.87 0 -6 -3 88.21 3.82 0 -6 3 98.28 3.94 0 6 3 86.17 2.52 0 6 -3 88.37 2.51 0 6 3 93.20 2.61 1 -6 3 3.32 0.40 -1 -6 -3 4.37 0.47 1 -6 3 3.91 0.49 1 6 3 4.04 0.26 1 6 3 3.53 0.22 -1 6 -3 3.79 0.19 1 6 3 3.81 0.31 -2 -6 -3 205.63 8.52 2 -6 3 226.55 8.58 2 -6 3 202.38 7.47 2 6 3 204.22 5.80 -2 6 -3 203.13 5.88 2 6 3 214.20 5.97 3 -6 3 34.05 1.66 3 -6 3 32.24 1.39 -3 -6 -3 33.59 1.67 3 -6 3 34.30 1.54 -3 6 -3 34.62 1.07 3 6 3 36.10 1.16 3 6 3 33.69 1.11 4 -6 3 77.51 3.34 -4 -6 -3 74.07 3.38 4 -6 3 75.81 3.02 4 6 3 76.65 2.38 -4 6 -3 75.30 2.28 4 6 3 80.46 2.30 5 -6 3 17.59 1.06 5 6 3 17.55 0.74 -5 6 -3 17.89 0.71 5 6 3 18.36 0.79 6 -6 3 174.85 6.61 -6 6 -3 179.26 5.23 6 6 3 179.73 5.32 6 6 3 184.14 5.16 7 -6 3 16.32 1.07 7 6 3 17.67 0.77 -7 6 -3 16.84 0.75 7 6 3 16.59 0.81 8 -6 3 49.50 2.24 -8 6 -3 49.82 1.73 8 6 3 49.15 1.80 8 6 3 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3 11.79 0.79 11 -9 -3 12.74 0.76 11 9 -3 11.79 0.86 10 -9 -3 1.20 0.38 10 -9 -3 1.15 0.34 10 -9 -3 0.79 0.60 -10 -9 3 0.55 0.36 10 9 -3 1.32 0.43 -9 -9 3 103.08 5.60 9 -9 -3 110.50 4.27 -9 -9 3 86.36 5.13 8 -9 -3 0.50 0.46 -8 -9 3 -0.46 0.68 8 9 -3 0.01 0.24 7 -9 -3 53.21 2.24 7 -9 -3 54.52 2.48 -7 -9 3 46.00 3.00 7 9 -3 54.90 1.80 -6 -9 3 3.09 0.84 6 -9 -3 3.25 0.62 6 -9 -3 3.75 0.51 6 9 -3 3.36 0.37 5 -9 -3 46.49 1.97 -5 -9 3 40.98 2.48 5 -9 -3 46.98 2.13 5 9 -3 44.80 1.49 -4 -9 3 10.56 1.07 4 -9 -3 10.98 0.82 4 -9 -3 11.17 0.90 4 -9 -3 11.40 0.78 4 9 -3 10.59 0.52 3 -9 -3 145.54 5.49 3 -9 -3 151.76 6.26 3 -9 -3 149.65 5.60 -3 -9 3 150.28 6.49 3 9 -3 145.24 4.21 2 -9 -3 7.13 0.66 2 -9 -3 6.29 0.56 2 -9 -3 7.15 0.72 -2 -9 3 6.81 0.84 1 -9 -3 6.19 0.65 1 -9 -3 6.38 0.57 -1 -9 3 6.65 0.63 -1 -9 3 5.79 0.48 -1 -9 3 5.39 0.74 1 -9 -3 5.85 0.64 0 -9 -3 14.53 0.83 0 -9 -3 12.59 0.87 0 -9 3 13.23 0.76 0 -9 -3 13.40 0.95 0 -9 3 13.08 0.87 0 -9 3 15.05 1.07 0 9 -3 14.61 0.51 0 9 3 14.31 0.54 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1.32 -13 -9 -3 17.38 0.89 13 9 3 19.49 1.03 13 9 3 19.88 0.93 -14 -9 -3 0.68 0.27 14 -9 3 0.38 0.27 14 -9 3 0.78 0.42 14 -9 3 1.09 0.29 14 9 3 1.54 0.36 -15 -9 -3 35.38 1.15 15 -9 3 34.41 1.23 15 -9 3 34.00 1.62 15 9 3 34.39 1.49 15 -10 -3 53.07 1.73 -15 -10 3 53.60 1.61 15 10 -3 49.84 2.03 14 -10 -3 1.03 0.33 -14 -10 3 2.12 0.32 14 10 -3 1.84 0.33 13 -10 -3 0.43 0.54 -13 -10 3 0.90 0.30 13 -10 -3 0.93 0.32 13 -10 -3 0.58 0.31 13 -10 -3 0.34 0.31 13 10 -3 1.10 0.29 12 -10 -3 2.90 0.73 12 -10 -3 3.19 0.45 12 -10 -3 3.16 0.47 -12 -10 3 2.59 0.44 11 -10 -3 83.45 3.87 11 -10 -3 83.79 2.77 -11 -10 3 90.61 2.83 11 -10 -3 85.06 2.79 10 -10 -3 37.79 2.18 10 -10 -3 36.66 1.41 10 -10 -3 37.13 1.42 -10 -10 3 37.88 1.52 9 -10 -3 18.54 1.34 9 -10 -3 17.47 0.85 -9 -10 3 18.25 1.50 9 -10 -3 17.41 1.41 -9 -10 3 16.60 0.83 -8 -10 3 40.31 2.59 8 -10 -3 37.23 2.05 8 10 -3 38.01 1.47 7 -10 -3 59.29 2.74 7 -10 -3 57.30 2.46 7 10 -3 58.43 1.97 6 -10 -3 2.09 0.42 6 -10 -3 1.67 0.51 -6 -10 3 1.68 0.76 6 10 -3 1.25 0.28 5 -10 -3 128.14 4.89 -5 -10 3 130.18 5.99 5 -10 -3 127.25 5.07 5 10 -3 129.59 3.79 4 -10 -3 60.65 2.54 4 -10 -3 61.64 2.69 -4 -10 3 62.41 3.17 4 -10 -3 57.81 2.83 4 10 -3 60.31 1.89 3 -10 -3 2.04 0.41 3 -10 -3 1.96 0.44 -3 -10 3 2.71 0.64 3 -10 -3 1.87 0.48 2 -10 -3 0.74 0.36 2 -10 -3 1.07 0.40 -2 -10 3 0.68 0.46 2 -10 -3 0.93 0.32 -1 -10 3 120.51 5.14 1 -10 -3 112.40 4.33 1 -10 -3 112.44 4.95 1 -10 -3 114.14 4.40 -1 -10 3 111.20 4.21 0 -10 -3 15.36 0.91 0 -10 -3 16.39 1.00 0 -10 -3 15.86 1.08 0 -10 3 14.59 0.97 0 -10 3 16.58 1.18 0 -10 3 15.19 0.84 1 -10 3 19.36 1.26 -1 -10 -3 18.32 1.21 1 -10 3 18.30 0.98 -1 -10 -3 18.61 1.01 1 -10 3 17.72 1.10 1 10 3 19.47 0.72 -2 -10 -3 60.63 2.52 2 -10 3 64.83 2.53 2 -10 3 61.88 2.69 2 -10 3 61.56 3.00 -2 -10 -3 61.24 2.98 2 10 3 64.79 1.98 3 -10 3 137.50 5.99 3 -10 3 141.61 5.35 3 10 3 135.52 4.01 3 10 3 141.15 4.13 4 -10 3 0.27 0.41 4 -10 3 0.33 0.36 4 10 3 0.08 0.20 4 10 3 0.29 0.21 5 -10 3 75.54 3.60 5 -10 3 80.78 3.36 5 10 3 78.22 2.46 5 10 3 79.71 2.56 6 -10 3 35.11 1.84 6 10 3 34.36 1.27 6 10 3 30.68 1.31 7 -10 3 26.93 1.59 7 10 3 24.48 1.14 7 10 3 25.07 1.06 -8 -10 -3 15.74 1.88 8 -10 3 23.36 1.45 -9 -10 -3 93.88 5.26 9 -10 3 89.50 3.92 -9 -10 -3 91.90 2.98 9 -10 3 93.65 2.88 -9 -10 -3 91.35 3.12 10 -10 3 11.08 0.65 10 -10 3 12.56 0.75 -10 -10 -3 11.73 0.88 10 -10 3 10.30 1.32 -10 -10 -3 15.31 1.23 11 -10 3 -0.51 0.53 11 -10 3 0.49 0.34 -11 -10 -3 -0.12 0.32 11 -10 3 0.38 0.26 -12 -10 -3 1.76 0.39 12 -10 3 1.11 0.58 12 -10 3 1.41 0.32 12 -10 3 1.03 0.35 13 -10 3 51.07 2.48 -13 -10 -3 52.70 1.81 13 -10 3 50.96 1.80 13 -10 3 52.49 1.73 13 10 3 55.58 2.17 14 -10 3 1.07 0.44 -14 -10 -3 1.09 0.27 14 -10 3 0.85 0.27 14 10 3 0.42 0.27 15 10 3 11.33 0.67 14 -11 -3 10.52 0.63 -14 -11 3 10.83 0.57 14 11 -3 10.78 0.65 13 -11 -3 27.46 1.63 -13 -11 3 27.19 1.12 13 -11 -3 28.38 1.16 13 -11 -3 29.91 1.20 13 11 -3 30.83 1.31 -12 -11 3 17.11 0.86 12 -11 -3 16.16 1.34 12 -11 -3 15.37 0.84 11 -11 -3 12.89 0.75 11 -11 -3 12.00 1.27 -11 -11 3 13.45 0.80 10 -11 -3 28.95 1.22 -10 -11 3 30.22 1.21 -10 -11 3 33.06 2.18 -10 -11 3 30.87 1.34 10 -11 -3 31.93 1.97 -9 -11 3 39.12 2.54 9 -11 -3 39.04 2.11 9 -11 -3 39.49 2.18 9 -11 -3 34.61 1.22 -9 -11 3 35.80 1.39 -8 -11 3 1.81 0.70 8 -11 -3 0.31 0.18 8 -11 -3 0.02 0.28 8 -11 -3 0.39 0.52 -8 -11 3 -0.10 0.31 -8 -11 3 0.15 0.25 8 -11 -3 0.34 0.50 7 -11 -3 26.83 1.40 7 -11 -3 27.06 1.67 7 11 -3 25.63 1.11 6 -11 -3 55.39 2.63 6 -11 -3 55.14 2.38 6 11 -3 52.36 1.82 -5 -11 3 15.27 1.45 5 -11 -3 14.86 1.17 5 -11 -3 15.42 1.00 5 11 -3 14.31 0.69 4 -11 -3 25.19 1.48 4 -11 -3 27.19 1.38 -4 -11 3 27.22 1.85 4 -11 -3 25.17 1.48 4 11 -3 24.18 0.95 -3 -11 3 54.57 2.96 3 -11 -3 59.06 2.45 3 -11 -3 56.38 2.71 3 -11 -3 55.17 2.53 -2 -11 3 39.06 2.24 2 -11 -3 39.65 1.81 2 -11 -3 39.05 1.92 2 -11 -3 39.05 2.04 -1 -11 3 0.30 0.22 1 -11 -3 0.12 0.24 1 -11 -3 0.37 0.34 -1 -11 3 0.32 0.43 1 -11 -3 0.39 0.36 0 -11 -3 23.99 1.46 0 -11 3 21.86 1.31 0 -11 3 24.51 1.19 0 -11 -3 25.10 1.27 0 -11 3 25.05 1.57 -1 -11 -3 106.92 4.15 -1 -11 -3 99.83 4.78 1 -11 3 111.42 4.89 1 -11 3 109.20 4.10 1 -11 3 108.89 4.27 1 11 3 112.19 3.20 2 -11 3 5.94 0.76 2 -11 3 5.49 0.72 2 11 3 4.58 0.37 3 -11 3 0.48 0.42 3 -11 3 0.84 0.40 3 11 3 0.74 0.22 4 -11 3 78.50 3.64 4 -11 3 83.15 3.38 4 11 3 74.78 2.42 4 11 3 75.97 2.50 5 -11 3 27.88 1.64 5 -11 3 28.19 1.65 5 11 3 28.18 1.10 5 11 3 26.44 1.14 6 -11 3 1.16 0.56 6 11 3 0.85 0.31 6 11 3 0.90 0.28 -7 -11 -3 42.08 3.89 7 -11 3 58.33 2.45 7 -11 3 59.70 2.71 7 11 3 57.95 1.93 8 -11 3 9.91 1.31 -8 -11 -3 6.74 1.53 8 -11 3 10.40 0.48 -8 -11 -3 10.13 0.69 -8 -11 -3 13.74 0.88 8 -11 3 10.86 1.11 8 -11 3 11.46 0.84 -9 -11 -3 4.00 0.48 9 -11 3 2.59 0.85 9 -11 3 4.25 0.78 -9 -11 -3 4.21 0.83 -9 -11 -3 3.81 0.55 9 -11 3 3.44 0.31 -10 -11 -3 11.51 1.13 10 -11 3 10.50 1.33 10 -11 3 10.24 0.61 -10 -11 -3 10.59 0.82 -10 -11 -3 10.45 0.84 11 -11 3 49.10 2.55 11 -11 3 44.18 1.56 -11 -11 -3 41.13 1.66 12 -11 3 15.85 0.78 12 -11 3 16.87 1.31 -12 -11 -3 16.67 0.87 -13 -11 -3 5.04 0.47 13 -11 3 4.72 0.71 13 -11 3 6.71 0.49 13 11 3 6.55 0.55 -14 -11 -3 28.17 1.02 14 -11 3 28.04 1.43 14 -11 3 26.64 1.02 14 11 3 28.14 1.25 14 -12 -3 38.80 1.36 14 -12 -3 41.52 2.09 14 12 -3 39.37 1.60 13 -12 -3 0.19 0.27 -13 -12 3 0.07 0.24 13 12 -3 0.30 0.23 12 -12 -3 30.13 1.21 12 -12 -3 27.70 1.16 12 -12 -3 31.48 1.78 -12 -12 3 29.59 1.20 11 -12 -3 6.04 0.95 -11 -12 3 7.28 0.62 -11 -12 3 6.48 0.64 11 -12 -3 6.56 0.57 10 -12 -3 35.62 1.22 10 -12 -3 35.94 2.13 -10 -12 3 35.51 1.34 9 -12 -3 1.64 0.26 -9 -12 3 1.68 0.34 9 -12 -3 2.41 0.69 9 -12 -3 1.41 0.63 -9 -12 3 1.07 0.67 8 -12 -3 91.58 2.61 8 -12 -3 89.18 4.00 8 -12 -3 95.79 3.71 8 -12 -3 90.89 3.97 -8 -12 3 92.46 2.95 8 -12 -3 92.84 3.77 -8 -12 3 89.90 5.30 7 -12 -3 8.23 0.42 -7 -12 3 9.23 0.61 7 -12 -3 9.09 0.68 -7 -12 3 8.99 0.69 7 -12 -3 9.60 1.01 7 -12 -3 9.15 0.78 7 -12 -3 9.44 1.08 7 -12 -3 8.50 0.75 -7 -12 3 9.58 1.51 -6 -12 3 0.46 0.82 6 -12 -3 2.74 0.69 6 -12 -3 2.50 0.49 6 12 -3 2.63 0.38 5 -12 -3 1.73 0.59 5 -12 -3 2.03 0.46 -5 -12 3 1.78 0.75 5 12 -3 2.24 0.35 4 -12 -3 121.97 4.96 4 -12 -3 131.50 4.82 -4 -12 3 114.78 5.76 3 -12 -3 9.37 0.85 3 -12 -3 10.75 1.04 -3 -12 3 10.88 1.25 3 -12 -3 9.71 0.80 2 -12 -3 24.00 1.47 -2 -12 3 25.00 1.68 2 -12 -3 22.48 1.42 2 -12 -3 23.24 1.30 1 -12 -3 22.44 1.42 1 -12 -3 24.14 1.27 1 -12 -3 22.13 1.36 -1 -12 3 21.44 1.54 0 -12 -3 20.36 1.15 0 -12 3 19.68 1.22 0 -12 3 19.33 1.41 0 -12 -3 19.28 1.31 1 -12 3 4.36 0.67 -1 -12 -3 2.77 0.47 1 -12 3 3.99 0.71 2 -12 3 131.14 5.09 2 -12 3 124.23 5.71 2 12 3 130.90 3.83 3 -12 3 3.85 0.67 3 -12 3 3.51 0.67 3 12 3 4.04 0.40 4 -12 3 24.33 1.55 4 -12 3 28.14 1.61 4 12 3 23.34 1.02 5 -12 3 5.46 0.83 5 -12 3 4.54 0.73 5 12 3 4.12 0.47 5 12 3 4.82 0.47 6 -12 3 126.87 5.00 -6 -12 -3 117.50 7.21 6 -12 3 139.00 5.24 6 12 3 126.03 3.86 7 -12 3 -0.48 0.48 7 -12 3 0.06 0.54 7 -12 3 -0.09 0.34 7 -12 3 0.15 0.13 -7 -12 -3 0.38 0.32 -7 -12 -3 -1.20 1.58 7 -12 3 0.87 0.64 -7 -12 -3 0.08 0.36 8 -12 3 26.78 1.42 8 -12 3 25.37 1.67 8 -12 3 27.80 0.90 -8 -12 -3 29.58 1.31 -8 -12 -3 29.09 1.21 -8 -12 -3 23.50 2.46 8 -12 3 23.18 1.88 -9 -12 -3 0.61 0.69 9 -12 3 0.67 0.68 -9 -12 -3 1.15 0.41 9 -12 3 1.15 0.22 9 -12 3 1.92 0.41 -9 -12 -3 1.67 0.36 10 -12 3 35.72 1.18 10 -12 3 32.66 2.22 -10 -12 -3 35.65 1.37 -10 -12 -3 36.68 2.41 -10 -12 -3 35.55 1.52 11 -12 3 0.67 0.62 11 -12 3 0.54 0.25 -11 -12 -3 0.03 0.33 -11 -12 -3 -0.28 0.31 12 -12 3 21.83 0.93 -12 -12 -3 24.12 1.02 12 -12 3 22.13 1.48 13 -12 3 5.81 0.45 -13 -12 -3 6.34 0.49 13 -12 3 6.76 0.78 13 12 3 5.95 0.51 -14 -12 -3 12.00 0.56 14 -12 3 12.79 0.85 14 12 3 11.89 0.68 -13 -13 3 2.16 0.31 13 -13 -3 1.34 0.31 13 -13 -3 2.22 0.61 13 13 -3 2.16 0.30 12 -13 -3 30.15 1.95 -12 -13 3 26.46 1.14 12 -13 -3 26.17 1.09 12 -13 -3 24.36 1.54 -12 -13 3 28.83 1.11 11 -13 -3 0.96 0.24 -11 -13 3 0.66 0.33 11 -13 -3 -0.01 0.68 11 -13 -3 0.63 0.58 -11 -13 3 0.79 0.34 -10 -13 3 75.04 2.46 -10 -13 3 77.21 2.63 10 -13 -3 76.18 3.50 10 -13 -3 77.20 2.26 -9 -13 3 0.12 0.24 -9 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5.16 -3 -3 -4 160.17 4.44 3 3 4 164.46 4.55 -3 3 -4 161.21 4.53 -3 3 -4 157.88 4.39 3 3 4 165.59 4.43 -4 -3 -4 73.89 2.35 4 -3 4 70.78 2.85 -4 -3 -4 75.15 2.27 4 3 4 79.47 2.33 -4 3 -4 76.84 2.23 4 3 4 77.73 2.25 -4 3 -4 77.90 2.31 -5 -3 -4 4.39 0.37 5 -3 4 4.85 0.49 -5 -3 -4 3.92 0.40 5 3 4 4.63 0.39 -5 3 -4 4.13 0.36 5 3 4 5.01 0.35 -5 3 -4 3.67 0.32 6 -3 4 1.89 0.39 -6 -3 -4 1.37 0.30 -6 -3 -4 1.56 0.29 -6 3 -4 2.12 0.28 6 3 4 1.55 0.26 -6 3 -4 2.12 0.31 6 3 4 2.04 0.31 -7 -3 -4 47.43 1.64 -7 -3 -4 47.38 1.71 -7 3 -4 48.34 1.67 7 3 4 47.55 1.66 7 3 4 47.71 1.57 -7 3 -4 48.86 1.60 -8 -3 -4 15.94 0.88 -8 -3 -4 16.52 0.83 -8 3 -4 19.20 0.82 -8 3 -4 18.06 0.85 8 3 4 17.53 0.77 -9 -3 -4 1.76 0.37 -9 -3 -4 2.20 0.42 -9 3 -4 2.39 0.38 9 3 4 2.75 0.35 -9 3 -4 2.06 0.35 -10 -3 -4 44.57 1.66 -10 -3 -4 43.02 1.74 -10 3 -4 43.12 1.63 -10 3 -4 44.01 1.69 11 -3 4 88.44 3.77 -11 -3 -4 92.67 2.94 11 -3 4 91.49 2.98 11 -3 4 95.39 3.10 11 3 4 95.79 3.61 11 3 4 94.94 3.04 12 -3 4 0.18 0.36 -12 -3 -4 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2.88 11 -4 -4 94.59 3.02 11 4 -4 92.62 3.49 11 4 -4 89.37 3.04 -10 -4 4 3.47 0.46 -10 4 4 3.78 0.46 -10 4 4 3.66 0.45 -9 4 4 77.71 2.49 -9 4 4 78.21 2.55 -8 -4 4 1.75 0.33 -8 4 4 1.66 0.28 -8 4 4 1.89 0.30 -7 -4 4 12.18 0.59 -7 -4 4 10.82 0.61 7 -4 -4 11.32 0.78 -7 4 4 11.12 0.55 -7 4 4 10.40 0.55 7 4 -4 10.81 0.56 -6 -4 4 0.31 0.19 -6 -4 4 -0.03 0.17 6 -4 -4 0.07 0.28 -6 4 4 0.22 0.17 -6 4 4 0.14 0.17 6 4 -4 0.33 0.19 5 -4 -4 171.79 6.47 -5 -4 4 182.98 5.07 -5 -4 4 179.88 5.22 5 -4 -4 172.93 5.78 5 4 -4 189.24 5.08 -5 4 4 180.01 5.04 -5 4 4 181.99 5.17 4 -4 -4 11.16 0.46 -4 -4 4 10.88 0.49 -4 -4 4 10.62 0.47 -4 4 4 12.47 0.47 -4 4 4 11.35 0.45 4 4 -4 11.67 0.48 -3 -4 4 0.18 0.13 3 -4 -4 0.07 0.09 -3 -4 4 0.22 0.12 -3 -4 4 0.12 0.24 -3 4 4 0.19 0.11 3 4 -4 0.26 0.13 -3 4 4 0.36 0.11 -2 -4 4 10.46 0.39 -2 -4 4 10.53 0.72 -2 4 4 11.18 0.38 -2 4 4 11.05 0.40 2 4 -4 11.74 0.42 1 -4 -4 303.48 9.43 1 -4 -4 293.19 11.88 -1 -4 4 302.51 11.98 -1 4 4 295.42 8.34 1 4 -4 305.77 8.16 -1 4 4 287.98 8.14 0 -4 -4 30.06 1.04 0 -4 4 31.11 1.44 0 4 -4 29.41 0.91 0 4 4 28.82 0.91 0 4 4 28.38 0.88 1 -4 4 51.76 2.30 -1 -4 -4 51.93 1.77 -1 4 -4 51.56 1.53 1 4 4 50.98 1.51 1 4 4 54.04 1.57 -2 -4 -4 10.84 0.53 2 -4 4 10.81 0.71 -2 -4 -4 11.25 0.43 2 4 4 11.19 0.45 -2 4 -4 10.45 0.44 2 4 4 11.48 0.48 3 -4 4 41.24 1.85 -3 -4 -4 38.21 1.49 -3 -4 -4 39.66 1.81 3 -4 4 38.41 1.67 -3 -4 -4 41.55 1.27 -3 -4 -4 38.78 1.34 3 4 4 44.72 1.34 -3 4 -4 43.35 1.30 3 4 4 41.08 1.27 -3 4 -4 41.84 1.22 4 -4 4 18.44 0.97 -4 -4 -4 18.77 0.71 4 -4 4 16.98 0.92 -4 -4 -4 16.93 0.75 -4 -4 -4 17.53 0.98 4 4 4 18.39 0.69 4 4 4 18.15 0.74 -4 4 -4 18.72 0.71 -4 4 -4 17.47 0.66 -5 -4 -4 183.00 5.66 5 -4 4 176.50 6.94 -5 -4 -4 195.90 5.50 -5 4 -4 202.66 5.61 -5 4 -4 199.65 5.45 5 4 4 199.03 5.47 5 4 4 197.08 5.64 6 -4 4 2.78 0.44 -6 -4 -4 2.82 0.38 -6 -4 -4 2.81 0.36 6 4 4 2.93 0.33 -6 4 -4 2.56 0.30 -6 4 -4 2.50 0.33 6 4 4 2.69 0.35 -7 -4 -4 33.38 1.28 -7 4 -4 33.80 1.23 7 4 4 33.92 1.30 -7 4 -4 37.15 1.32 7 4 4 35.77 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0.74 -6 -6 4 9.25 1.04 6 -6 -4 7.72 0.57 6 6 -4 7.34 0.45 -6 6 4 7.27 0.41 5 -6 -4 187.22 6.79 -5 -6 4 193.20 7.87 5 -6 -4 172.29 6.66 5 6 -4 189.21 5.26 -5 6 4 187.07 5.31 4 -6 -4 59.00 2.43 4 -6 -4 65.85 2.55 -4 -6 4 62.44 2.91 -4 6 4 62.09 1.86 4 6 -4 63.94 1.89 3 -6 -4 8.62 0.56 3 -6 -4 7.80 0.61 -3 -6 4 8.73 0.75 -3 6 4 8.14 0.34 3 6 -4 8.28 0.38 2 -6 -4 48.94 2.20 2 -6 -4 48.40 2.02 -2 -6 4 53.77 2.36 2 6 -4 48.93 1.47 -2 6 4 49.30 1.46 1 -6 -4 36.99 1.68 -1 -6 4 37.06 1.81 -1 6 4 35.22 1.09 1 6 -4 36.60 1.08 0 -6 -4 4.49 0.43 0 -6 4 5.17 0.59 0 6 -4 4.06 0.20 0 6 4 4.25 0.24 0 6 -4 3.79 0.23 0 6 4 3.98 0.21 1 -6 4 68.57 2.95 1 -6 4 64.07 2.56 -1 -6 -4 64.90 2.84 1 6 4 64.20 1.89 -1 6 -4 67.27 1.92 1 6 4 66.19 1.97 2 -6 4 141.01 5.17 2 -6 4 143.32 5.90 2 6 4 141.09 4.10 -2 6 -4 140.72 4.02 2 6 4 140.07 3.98 3 -6 4 162.26 6.59 3 -6 4 150.39 5.79 3 6 4 159.38 4.62 3 6 4 161.93 4.49 -3 6 -4 159.47 4.54 4 -6 4 46.66 2.15 4 -6 4 44.79 1.98 -4 6 -4 45.46 1.46 4 6 4 46.79 1.47 4 6 4 45.89 1.53 5 -6 4 45.58 2.07 5 -6 4 48.73 2.22 -5 6 -4 47.79 1.54 5 6 4 48.12 1.55 5 6 4 46.78 1.62 6 -6 4 83.63 3.46 -6 6 -4 88.60 2.69 6 6 4 86.95 2.77 6 6 4 89.48 2.67 7 -6 4 17.49 1.07 7 6 4 16.54 0.75 -7 6 -4 15.83 0.74 7 6 4 15.50 0.80 8 6 4 41.51 1.47 -8 6 -4 40.08 1.49 8 6 4 42.47 1.58 9 6 4 121.89 3.80 -9 6 -4 115.84 3.69 9 6 4 117.90 3.61 10 -6 4 6.26 0.52 10 -6 4 7.21 0.94 -10 -6 -4 6.85 0.66 -11 -6 -4 8.14 0.72 11 -6 4 9.95 0.77 11 -6 4 10.16 0.63 11 -6 4 9.67 1.07 11 6 4 11.66 0.79 -12 -6 -4 23.73 1.09 12 -6 4 24.12 1.15 12 -6 4 22.78 1.06 12 -6 4 23.46 1.52 12 6 4 25.08 1.23 12 6 4 22.42 1.16 -13 -6 -4 36.63 1.42 13 -6 4 39.19 1.48 13 -6 4 39.61 1.55 13 -6 4 37.78 2.00 13 6 4 36.78 1.73 13 6 4 38.97 1.55 -14 -6 -4 0.02 0.22 14 -6 4 0.01 0.41 14 -6 4 0.40 0.28 14 -6 4 0.53 0.33 14 6 4 0.05 0.31 14 6 4 0.23 0.32 15 -6 4 30.90 1.59 15 -6 4 30.22 1.19 15 -6 4 31.98 1.22 -15 -6 -4 30.36 1.04 15 6 4 31.73 1.21 15 6 4 29.05 1.43 16 -6 4 20.32 1.11 16 -6 4 19.12 0.81 16 6 4 21.08 1.03 16 -7 -4 18.02 0.75 16 -7 -4 18.90 0.83 15 -7 -4 1.39 0.33 -15 -7 4 1.13 0.23 15 -7 -4 1.25 0.36 15 7 -4 1.12 0.32 15 7 -4 1.28 0.36 14 -7 -4 40.53 1.55 14 -7 -4 42.05 1.58 14 -7 -4 40.77 1.57 -14 -7 4 38.78 1.39 14 7 -4 37.25 1.55 14 7 -4 37.79 1.71 13 -7 -4 23.94 1.54 13 -7 -4 23.27 1.16 13 -7 -4 23.70 1.14 -13 -7 4 24.50 1.04 13 7 -4 21.67 1.15 13 7 -4 22.57 1.17 -12 -7 4 5.70 0.57 12 -7 -4 6.86 0.97 12 -7 -4 6.18 0.62 12 -7 -4 5.42 0.64 12 7 -4 5.85 0.68 11 -7 -4 5.96 0.59 -11 -7 4 5.06 0.55 11 -7 -4 5.16 0.59 11 -7 -4 5.61 0.91 11 7 -4 4.79 0.62 10 -7 -4 71.86 2.45 -10 -7 4 71.49 2.41 10 -7 -4 71.33 2.40 10 7 -4 72.87 2.47 -9 -7 4 7.67 1.31 -9 7 4 11.75 0.63 8 -7 -4 3.85 0.62 -8 -7 4 1.89 0.79 8 7 -4 3.05 0.37 -8 7 4 4.07 0.38 7 -7 -4 24.83 1.41 -7 -7 4 23.77 1.78 -7 7 4 25.97 0.95 7 7 -4 24.98 0.99 6 -7 -4 93.78 3.74 -6 -7 4 104.94 4.68 6 -7 -4 101.60 3.93 6 7 -4 99.10 2.97 -6 7 4 97.41 2.94 5 -7 -4 28.96 1.38 5 -7 -4 30.09 1.51 -5 -7 4 30.79 1.77 -5 7 4 30.61 0.99 5 7 -4 30.22 1.06 4 -7 -4 166.67 6.38 4 -7 -4 179.94 6.49 -4 -7 4 175.88 7.47 -4 7 4 183.73 5.02 4 7 -4 176.01 4.98 3 -7 -4 19.30 1.09 -3 -7 4 19.81 1.24 3 -7 -4 18.16 0.97 3 -7 -4 18.83 1.08 3 7 -4 20.14 0.70 -3 7 4 19.91 0.64 2 -7 -4 16.76 0.93 -2 -7 4 17.66 1.13 2 -7 -4 14.63 0.83 2 -7 -4 15.25 0.92 2 7 -4 16.27 0.58 -2 7 4 15.59 0.53 -1 -7 4 0.44 0.26 -1 -7 4 0.70 0.36 1 -7 -4 0.01 0.22 1 -7 -4 0.33 0.25 -1 7 4 0.25 0.10 1 7 -4 0.39 0.12 0 -7 4 129.65 5.15 0 -7 -4 111.71 4.97 0 -7 4 115.69 4.40 0 -7 -4 113.48 4.37 0 7 4 123.13 3.44 0 7 -4 121.84 3.42 1 -7 4 104.68 4.51 -1 -7 -4 102.60 4.41 1 -7 4 101.64 3.92 -1 7 -4 107.88 2.99 1 7 4 102.84 2.95 1 7 4 105.91 3.06 2 -7 4 6.59 0.64 -2 -7 -4 6.66 0.61 2 -7 4 7.13 0.62 2 7 4 6.68 0.40 -2 7 -4 6.03 0.31 2 7 4 7.02 0.37 3 -7 4 107.87 4.49 3 -7 4 103.32 3.98 3 7 4 102.38 3.02 -3 7 -4 101.87 3.02 3 7 4 104.71 3.12 4 -7 4 156.84 6.37 4 -7 4 149.09 5.65 4 7 4 153.71 4.36 4 7 4 149.07 4.49 -4 7 -4 150.00 4.38 5 -7 4 5.93 0.66 5 -7 4 6.20 0.69 5 7 4 5.93 0.44 -5 7 -4 5.84 0.38 5 7 4 6.47 0.50 6 -7 4 22.05 1.26 -6 7 -4 21.61 0.85 6 7 4 22.50 0.90 6 7 4 22.12 0.96 7 -7 4 17.04 1.10 7 7 4 17.41 0.79 -7 7 -4 17.12 0.76 7 7 4 17.45 0.86 8 -7 4 55.79 2.55 8 7 4 57.57 2.05 -8 7 -4 57.88 1.94 8 7 4 58.22 1.94 9 7 4 7.53 0.66 9 7 4 5.73 0.53 -9 7 -4 5.59 0.53 10 -7 4 86.01 2.80 10 -7 4 88.14 3.85 -10 -7 -4 84.45 2.85 10 -7 4 84.20 2.71 10 7 4 86.79 2.83 -11 -7 -4 43.34 1.68 11 -7 4 44.45 2.31 11 -7 4 42.41 1.57 11 -7 4 42.08 1.65 11 7 4 44.19 1.71 12 -7 4 3.26 0.43 -12 -7 -4 4.09 0.52 12 -7 4 3.78 0.73 12 -7 4 3.60 0.51 12 7 4 2.88 0.45 12 7 4 3.98 0.54 -13 -7 -4 11.23 0.69 13 -7 4 11.14 1.09 13 -7 4 10.69 0.73 13 -7 4 11.12 0.70 13 7 4 10.42 0.78 13 7 4 11.27 0.78 -14 -7 -4 50.07 1.68 14 -7 4 49.20 2.34 14 -7 4 48.93 1.77 14 -7 4 50.98 1.79 14 7 4 50.88 2.14 14 7 4 51.69 1.78 15 -7 4 8.46 0.56 15 -7 4 8.06 0.55 -15 -7 -4 8.11 0.45 15 -7 4 8.44 0.79 15 7 4 8.81 0.56 15 7 4 7.80 0.64 15 -8 -4 3.37 0.38 -15 -8 4 3.53 0.32 15 -8 -4 3.08 0.41 15 8 -4 2.54 0.38 14 -8 -4 35.67 1.39 14 -8 -4 34.41 1.40 -14 -8 4 34.38 1.25 14 -8 -4 35.24 1.37 14 8 -4 34.15 1.53 14 8 -4 33.27 1.37 13 -8 -4 2.04 0.40 -13 -8 4 2.04 0.38 13 -8 -4 2.50 0.46 13 8 -4 2.49 0.39 13 8 -4 0.92 0.42 -12 -8 4 95.14 3.03 12 -8 -4 93.53 4.12 12 -8 -4 97.30 3.13 12 -8 -4 92.78 3.13 12 8 -4 97.07 3.15 11 -8 -4 8.27 1.08 11 -8 -4 8.34 0.68 11 -8 -4 8.29 0.70 -11 -8 4 8.01 0.68 11 8 -4 7.13 0.72 -10 -8 4 9.75 0.75 10 -8 -4 10.77 0.70 10 -8 -4 10.02 0.75 10 8 -4 10.12 0.80 9 -8 -4 3.13 0.66 -9 -8 4 2.54 0.98 8 -8 -4 150.89 5.67 8 8 -4 141.68 4.32 -8 8 4 143.43 4.30 7 -8 -4 1.99 0.50 7 -8 -4 1.67 0.38 -7 -8 4 1.19 0.69 7 8 -4 0.74 0.26 -7 8 4 1.61 0.23 6 -8 -4 12.27 0.96 6 -8 -4 11.67 0.76 -6 -8 4 13.53 1.19 -6 8 4 11.27 0.51 6 8 -4 12.59 0.61 5 -8 -4 9.22 0.79 5 -8 -4 8.32 0.67 -5 -8 4 10.11 1.11 5 8 -4 8.08 0.47 4 -8 -4 192.78 6.81 4 -8 -4 180.54 6.68 -4 -8 4 183.98 7.85 4 8 -4 178.66 5.19 3 -8 -4 13.81 0.91 3 -8 -4 14.11 0.85 3 -8 -4 13.14 0.90 -3 -8 4 13.40 1.06 3 8 -4 14.04 0.56 2 -8 -4 142.88 5.33 -2 -8 4 151.28 6.28 2 -8 -4 144.59 5.38 2 -8 -4 145.15 6.05 2 8 -4 145.14 4.08 -2 8 4 142.74 4.11 1 -8 -4 30.21 1.53 -1 -8 4 29.70 1.67 -1 -8 4 30.06 1.37 1 -8 -4 28.51 1.41 1 -8 -4 30.44 1.37 -1 8 4 29.88 0.95 0 -8 -4 31.57 1.63 0 -8 -4 31.32 1.47 0 -8 4 34.33 1.77 0 -8 4 31.02 1.49 0 8 -4 33.25 1.03 0 8 4 32.98 1.06 1 -8 4 14.90 1.02 1 -8 4 14.65 0.91 -1 -8 -4 14.75 0.96 -1 8 -4 14.53 0.52 1 8 4 14.97 0.61 2 -8 4 189.30 7.42 2 -8 4 172.67 6.47 2 8 4 174.85 4.96 -2 8 -4 170.82 5.00 2 8 4 175.20 5.11 3 -8 4 2.10 0.47 3 -8 4 2.89 0.50 3 8 4 2.66 0.29 3 8 4 2.64 0.32 4 -8 4 16.54 1.10 4 -8 4 17.75 1.11 4 8 4 17.52 0.73 4 8 4 18.28 0.79 5 -8 4 16.95 1.11 5 -8 4 18.81 1.17 5 8 4 18.62 0.84 5 8 4 18.95 0.79 -5 8 -4 18.42 0.72 6 -8 4 195.95 7.16 -6 8 -4 189.52 5.54 6 8 4 187.03 5.51 6 8 4 192.31 5.70 7 -8 4 5.06 0.72 7 8 4 5.29 0.48 -7 8 -4 5.24 0.43 7 8 4 5.35 0.52 8 -8 4 90.75 3.64 -8 8 -4 86.90 2.73 8 8 4 85.08 2.73 8 8 4 81.58 2.85 -10 -8 -4 52.37 2.02 10 -8 4 56.02 1.96 10 -8 4 50.02 1.84 -10 -8 -4 63.25 3.28 10 -8 4 58.77 2.91 10 8 4 52.88 1.98 11 -8 4 -0.30 0.31 -11 -8 -4 -0.07 0.34 11 -8 4 0.21 0.54 11 -8 4 0.15 0.25 11 8 4 0.58 0.37 12 -8 4 60.75 2.20 12 -8 4 63.73 2.18 12 -8 4 68.35 3.06 -12 -8 -4 64.57 2.23 12 8 4 66.08 2.25 -13 -8 -4 0.71 0.34 13 -8 4 0.45 0.27 13 -8 4 0.27 0.32 13 -8 4 0.09 0.42 13 8 4 0.45 0.35 13 8 4 0.50 0.31 14 -8 4 0.17 0.28 14 -8 4 0.53 0.42 -14 -8 -4 0.04 0.23 14 -8 4 0.23 0.26 14 8 4 -0.09 0.29 14 8 4 0.08 0.29 -15 -8 -4 0.21 0.19 15 -8 4 0.46 0.24 15 -8 4 0.19 0.23 15 -8 4 0.03 0.33 15 8 4 -0.12 0.25 15 -9 -4 1.94 0.34 -15 -9 4 1.75 0.24 15 9 -4 1.90 0.33 14 -9 -4 38.01 1.47 -14 -9 4 38.36 1.34 14 -9 -4 38.41 1.39 14 9 -4 37.65 1.62 13 -9 -4 1.86 0.43 13 -9 -4 1.80 0.42 13 -9 -4 1.73 0.41 -13 -9 4 2.57 0.40 13 9 -4 2.40 0.38 13 9 -4 2.34 0.47 12 -9 -4 4.43 0.52 -12 -9 4 4.60 0.52 12 -9 -4 4.75 0.56 12 9 -4 5.82 0.63 11 -9 -4 1.28 0.68 11 -9 -4 2.01 0.41 -11 -9 4 1.05 0.38 11 -9 -4 1.60 0.43 11 9 -4 1.34 0.44 10 -9 -4 72.61 3.44 10 -9 -4 75.25 2.51 10 -9 -4 79.35 2.50 -10 -9 4 76.02 2.52 10 9 -4 71.93 2.51 9 -9 -4 3.52 0.73 -9 -9 4 4.80 0.77 -9 -9 4 2.82 0.38 9 -9 -4 4.58 0.47 -8 -9 4 1.72 0.98 8 -9 -4 1.91 0.57 8 9 -4 1.42 0.34 7 -9 -4 8.83 0.95 7 -9 -4 9.25 0.72 -7 -9 4 11.23 1.47 7 9 -4 7.65 0.54 6 -9 -4 157.33 6.02 6 -9 -4 169.33 6.26 6 9 -4 162.61 4.74 5 -9 -4 2.26 0.53 5 -9 -4 1.99 0.40 -5 -9 4 1.38 0.63 5 9 -4 2.13 0.28 4 -9 -4 82.88 3.26 4 -9 -4 80.52 3.36 -4 -9 4 83.49 3.95 4 9 -4 82.36 2.46 -3 -9 4 6.70 0.85 3 -9 -4 6.33 0.57 3 -9 -4 6.50 0.64 3 -9 -4 5.06 0.64 3 9 -4 5.81 0.35 2 -9 -4 67.34 2.72 -2 -9 4 70.32 3.31 2 -9 -4 65.98 2.78 2 -9 -4 68.05 3.07 -1 -9 4 54.86 2.69 1 -9 -4 55.71 2.51 1 -9 -4 53.42 2.21 -1 -9 4 49.23 2.19 1 -9 -4 53.89 2.28 0 -9 4 211.98 8.84 0 -9 -4 206.89 7.61 0 -9 -4 206.80 7.62 0 -9 4 207.59 7.63 0 9 -4 215.55 5.97 0 9 4 215.02 6.01 1 -9 4 1.62 0.40 -1 -9 -4 1.63 0.34 1 -9 4 1.83 0.51 -1 -9 -4 1.64 0.42 1 9 4 1.59 0.23 -2 -9 -4 3.52 0.44 2 -9 4 3.58 0.54 2 -9 4 4.16 0.65 2 9 4 3.23 0.32 2 9 4 3.04 0.29 3 -9 4 48.74 2.20 3 -9 4 47.63 2.39 3 9 4 47.62 1.55 3 9 4 49.70 1.63 4 -9 4 292.53 12.09 4 -9 4 301.29 10.69 4 9 4 296.64 8.51 4 9 4 289.25 8.26 5 -9 4 0.22 0.33 5 -9 4 -0.15 0.34 5 9 4 0.32 0.24 5 9 4 -0.30 0.19 6 -9 4 17.48 1.19 6 9 4 19.14 0.84 6 9 4 18.20 0.89 7 -9 4 8.23 0.94 7 9 4 7.75 0.64 7 9 4 9.12 0.57 8 -9 4 84.95 3.62 8 9 4 84.00 2.85 9 -9 4 7.75 0.53 9 -9 4 8.47 0.62 9 -9 4 8.48 1.18 9 -9 4 9.64 1.01 -9 -9 -4 9.33 0.78 9 9 4 7.67 0.67 -10 -9 -4 118.99 6.38 10 -9 4 125.44 5.12 10 -9 4 120.29 3.64 -10 -9 -4 113.09 3.70 10 -9 4 117.73 3.57 10 9 4 108.67 3.62 -11 -9 -4 0.19 0.37 11 -9 4 0.42 0.35 11 -9 4 1.13 0.32 11 -9 4 0.99 0.61 11 9 4 0.83 0.40 12 -9 4 0.47 0.34 12 -9 4 1.13 0.31 12 -9 4 0.40 0.49 -12 -9 -4 0.48 0.34 12 9 4 0.03 0.35 -13 -9 -4 7.49 0.60 13 -9 4 7.18 0.57 13 -9 4 7.81 0.90 13 -9 4 7.39 0.57 13 9 4 7.67 0.63 14 -9 4 34.35 1.28 -14 -9 -4 35.35 1.24 14 -9 4 33.85 1.21 14 -9 4 33.21 1.72 14 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5.05 6 -13 -4 2.54 1.21 6 -13 -4 2.77 0.50 6 -13 -4 2.10 0.68 -6 -13 4 1.35 1.46 6 -13 -4 2.70 0.44 6 -13 -4 1.95 0.50 6 -13 -4 2.27 0.21 6 -13 -4 3.68 0.80 6 -13 -4 3.14 0.60 -6 -13 4 2.22 0.37 5 -13 -4 3.81 0.76 5 -13 -4 2.43 0.52 -5 -13 4 3.76 0.41 5 -13 -4 2.09 0.65 5 -13 -4 2.54 0.18 5 -13 -4 2.88 0.47 5 -13 -4 2.12 1.07 5 -13 -4 2.39 0.50 -5 -13 4 1.96 0.87 4 -13 -4 -0.50 0.41 -4 -13 4 0.60 0.67 4 -13 -4 0.48 0.37 3 -13 -4 136.69 5.15 3 -13 -4 133.23 5.80 -3 -13 4 121.34 6.09 3 -13 -4 127.68 5.30 3 13 -4 139.08 3.99 2 -13 -4 10.32 1.03 2 -13 -4 10.06 0.91 -2 -13 4 9.08 1.14 2 -13 -4 8.09 0.83 1 -13 -4 15.23 1.16 1 -13 -4 14.33 1.00 -1 -13 4 15.98 1.32 0 -13 4 9.74 1.13 0 -13 -4 9.20 0.77 1 -13 4 56.49 3.00 -1 -13 -4 58.40 2.53 1 -13 4 58.65 2.66 2 -13 4 0.18 0.41 2 -13 4 -0.21 0.38 3 -13 4 47.51 2.55 3 -13 4 49.63 2.40 3 13 4 46.97 1.65 4 -13 4 3.84 0.71 4 -13 4 4.75 0.80 4 13 4 4.54 0.48 -5 -13 -4 18.69 0.95 5 -13 4 18.02 1.28 -5 -13 -4 19.00 1.35 5 -13 4 16.43 1.54 -5 -13 -4 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4 15.54 0.99 13 -13 4 15.72 0.64 13 13 4 15.92 0.78 13 -14 -4 0.50 0.44 -13 -14 4 0.35 0.21 12 -14 -4 3.48 0.75 -12 -14 4 2.35 0.35 12 -14 -4 2.26 0.27 -12 -14 4 2.74 0.38 -11 -14 4 48.85 1.61 11 -14 -4 44.35 2.77 -11 -14 4 49.53 1.77 11 -14 -4 50.70 1.53 10 -14 -4 0.05 0.64 -10 -14 4 1.37 0.37 -10 -14 4 0.82 0.26 10 -14 -4 0.97 0.22 -9 -14 4 14.88 0.87 9 -14 -4 16.88 0.67 9 -14 -4 17.80 1.67 9 -14 -4 15.99 1.26 -9 -14 4 14.28 1.44 -9 -14 4 15.11 0.77 8 -14 -4 8.39 0.45 -8 -14 4 7.05 1.21 -8 -14 4 8.97 0.70 8 -14 -4 7.44 0.88 8 -14 -4 8.72 0.97 8 -14 -4 10.16 1.33 -8 -14 4 7.91 0.57 7 -14 -4 29.79 2.05 7 -14 -4 28.83 1.80 7 -14 -4 27.53 1.62 7 -14 -4 24.06 2.78 7 -14 -4 27.51 1.41 -7 -14 4 28.27 1.20 7 -14 -4 26.57 1.45 7 -14 -4 28.01 0.91 -7 -14 4 26.87 1.13 -7 -14 4 28.15 2.35 -6 -14 4 3.82 1.55 6 -14 -4 3.48 0.63 6 -14 -4 3.29 0.80 -6 -14 4 3.53 0.42 6 -14 -4 3.25 1.30 6 -14 -4 3.35 0.24 6 -14 -4 3.35 0.78 6 -14 -4 4.14 0.59 6 -14 -4 3.25 0.49 6 -14 -4 3.61 0.60 5 -14 -4 91.72 6.08 -5 -14 4 81.48 5.89 5 -14 -4 103.03 3.97 5 -14 -4 94.74 3.94 5 -14 -4 98.48 4.56 5 -14 -4 97.13 3.91 5 -14 -4 98.16 3.98 -5 -14 4 99.10 3.03 5 -14 -4 97.01 2.61 5 -14 -4 95.58 4.17 4 -14 -4 17.88 2.10 4 -14 -4 17.08 1.22 4 -14 -4 17.12 1.40 4 -14 -4 18.87 1.18 -4 -14 4 19.92 0.87 4 -14 -4 19.42 1.19 4 -14 -4 20.74 1.25 -4 -14 4 20.07 0.86 4 -14 -4 18.46 1.45 3 -14 -4 0.11 0.32 3 -14 -4 0.47 0.54 3 -14 -4 -0.08 0.44 3 -14 -4 0.87 0.40 3 -14 -4 0.18 0.77 -3 -14 4 0.41 0.57 -2 -14 4 20.00 1.65 2 -14 -4 23.31 1.33 2 -14 -4 22.12 1.51 2 -14 -4 22.41 1.37 -1 -14 4 119.48 5.56 1 -14 -4 117.18 4.66 0 -14 4 2.25 0.69 0 -14 -4 2.27 0.49 1 -14 4 39.19 2.08 1 -14 4 39.92 2.33 -1 -14 -4 40.54 1.94 2 -14 4 1.31 0.56 -2 -14 -4 1.41 0.80 2 -14 4 1.25 0.58 3 -14 4 30.71 1.78 -3 -14 -4 27.38 2.39 3 -14 4 31.13 1.69 -3 -14 -4 28.06 1.69 3 -14 4 30.74 1.80 3 -14 4 29.54 1.48 4 -14 4 1.13 0.49 4 -14 4 1.10 0.50 4 -14 4 0.17 0.53 -4 -14 -4 1.20 0.47 4 -14 4 0.25 0.53 4 -14 4 1.02 0.31 -4 -14 -4 0.74 0.33 -4 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62.63 1.78 1 -16 -4 63.62 2.88 1 -16 -4 66.24 2.71 1 -16 -4 58.46 4.17 1 -16 -4 59.69 3.07 1 -16 -4 60.19 2.73 0 -16 4 25.64 1.46 0 -16 4 26.56 1.74 0 -16 -4 26.22 2.40 0 -16 4 25.34 1.64 0 -16 -4 24.23 1.46 0 -16 -4 25.44 0.94 0 -16 -4 27.63 1.69 0 -16 4 26.33 0.83 0 -16 -4 23.61 1.52 -1 -16 -4 1.40 0.47 1 -16 4 1.82 0.17 -1 -16 -4 2.07 0.91 1 -16 4 2.70 0.70 -1 -16 -4 1.65 0.29 1 -16 4 1.80 0.51 1 -16 4 1.47 0.39 1 -16 4 1.35 0.56 2 -16 4 41.78 2.36 2 -16 4 43.73 2.13 -2 -16 -4 42.14 3.14 -2 -16 -4 42.11 2.19 2 -16 4 41.88 1.19 2 -16 4 45.57 2.34 2 -16 4 40.04 1.95 -3 -16 -4 9.24 1.44 -3 -16 -4 8.71 0.97 3 -16 4 8.94 1.10 3 -16 4 9.29 1.04 3 -16 4 9.32 0.72 -3 -16 -4 9.40 0.68 3 -16 4 8.31 1.07 -3 -16 -4 8.07 0.57 3 -16 4 9.89 1.01 4 -16 4 0.41 0.58 -4 -16 -4 1.12 0.85 4 -16 4 0.45 0.39 -4 -16 -4 0.77 0.33 -4 -16 -4 1.17 0.51 4 -16 4 0.96 0.50 4 -16 4 0.92 0.49 -4 -16 -4 0.76 0.34 5 -16 4 14.74 1.28 -5 -16 -4 14.37 0.87 -5 -16 -4 14.91 0.85 5 -16 4 15.06 1.13 5 -16 4 17.66 1.24 -5 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1.03 0 -18 -4 14.18 0.66 -1 -18 -4 0.35 0.73 -1 -18 -4 0.41 0.35 1 -18 4 0.37 0.11 -1 -18 -4 0.37 0.23 1 -18 4 1.24 0.44 1 -18 4 0.64 0.57 1 -18 4 0.61 0.28 -2 -18 -4 82.16 5.11 2 -18 4 81.68 3.63 2 -18 4 80.01 3.87 2 -18 4 81.91 3.37 -2 -18 -4 82.90 3.61 -2 -18 -4 82.15 2.44 2 -18 4 83.85 3.48 3 -18 4 1.11 0.56 -3 -18 -4 1.12 0.34 3 -18 4 2.34 0.58 -3 -18 -4 1.48 0.48 3 -18 4 2.25 0.53 -3 -18 -4 1.69 0.95 3 -18 4 2.21 0.54 4 -18 4 1.65 0.67 4 -18 4 3.70 0.68 -4 -18 -4 2.85 0.41 -4 -18 -4 3.02 1.38 -4 -18 -4 2.37 0.57 4 -18 4 2.63 0.63 4 -18 4 2.36 0.56 -5 -18 -4 1.70 0.35 -5 -18 -4 7.25 2.04 5 -18 4 1.69 0.47 5 -18 4 2.18 0.72 5 -18 4 2.62 0.62 -6 -18 -4 78.67 4.84 6 -18 4 73.09 3.02 6 -18 4 66.44 3.59 -6 -18 -4 71.37 2.36 -7 -18 -4 -1.25 1.04 7 -18 4 0.76 0.31 7 -18 4 0.90 0.55 7 -18 4 0.18 0.58 -7 -18 -4 0.58 0.26 8 -18 4 49.14 1.99 -8 -18 -4 43.42 2.88 -8 -18 -4 50.60 1.60 -8 -18 -4 47.45 1.63 8 -18 4 47.52 2.51 9 -18 4 1.26 0.47 -9 -18 -4 0.52 0.19 -9 -18 -4 0.87 0.49 -9 -18 -4 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5 111.39 3.21 -5 6 -5 109.47 3.25 6 -6 5 41.29 1.88 -6 6 -5 40.44 1.40 6 6 5 37.84 1.46 6 6 5 42.75 1.41 7 -6 5 4.04 0.59 -7 6 -5 4.08 0.40 7 6 5 3.85 0.40 7 6 5 3.66 0.42 8 6 5 76.21 2.55 -8 6 -5 74.80 2.47 9 6 5 48.86 1.87 -9 6 -5 50.52 1.80 9 6 5 49.86 1.74 10 -6 5 4.95 0.82 10 -6 5 3.36 0.47 10 -6 5 3.71 0.42 -10 -6 -5 3.84 0.54 10 6 5 4.49 0.56 11 -6 5 26.36 1.12 11 -6 5 27.14 1.22 11 -6 5 27.76 1.69 -11 -6 -5 28.09 1.24 11 6 5 27.19 1.25 12 -6 5 51.96 1.88 12 -6 5 55.54 1.97 -12 -6 -5 52.63 1.89 12 -6 5 51.44 2.54 12 6 5 51.75 2.22 12 6 5 54.93 1.97 -13 -6 -5 4.12 0.47 13 -6 5 4.62 0.49 13 -6 5 4.12 0.52 13 -6 5 4.05 0.71 13 6 5 4.77 0.56 13 6 5 4.54 0.56 14 -6 5 1.16 0.35 -14 -6 -5 0.79 0.26 14 -6 5 1.03 0.31 14 -6 5 1.04 0.47 14 6 5 0.89 0.35 14 6 5 0.79 0.36 15 -6 5 25.85 1.40 15 -6 5 26.02 1.05 -15 -6 -5 23.15 0.88 15 -6 5 26.01 1.04 15 6 5 26.21 1.04 15 6 5 24.69 1.25 16 -6 5 21.27 1.13 16 -7 -5 10.09 0.58 16 -7 -5 10.33 0.53 15 -7 -5 0.55 0.33 15 -7 -5 0.46 0.29 -15 -7 5 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-1 8 5 309.16 8.74 1 8 -5 320.45 8.78 0 -8 5 16.47 1.00 0 -8 5 17.38 1.18 0 -8 -5 18.15 1.00 0 -8 -5 17.67 1.04 0 8 5 19.27 0.68 0 8 -5 18.08 0.64 1 -8 5 287.39 11.45 1 -8 5 271.92 9.94 1 8 5 275.21 7.70 1 8 5 285.16 7.93 -1 8 -5 274.43 7.85 2 -8 5 41.53 1.89 2 -8 5 41.79 2.11 2 8 5 42.51 1.40 -2 8 -5 42.54 1.30 2 8 5 39.47 1.32 3 -8 5 5.31 0.64 3 -8 5 5.44 0.67 -3 8 -5 5.56 0.33 3 8 5 5.30 0.43 3 8 5 5.47 0.40 4 -8 5 12.98 0.89 4 -8 5 11.12 0.87 -4 8 -5 11.31 0.52 4 8 5 12.20 0.63 4 8 5 12.05 0.58 5 -8 5 230.61 8.28 5 -8 5 222.73 9.29 5 8 5 220.77 6.39 -5 8 -5 222.98 6.46 5 8 5 227.88 6.60 6 -8 5 14.70 1.08 6 8 5 14.59 0.72 -6 8 -5 14.23 0.66 6 8 5 14.30 0.76 7 -8 5 11.94 0.94 7 8 5 11.95 0.70 7 8 5 12.55 0.67 -7 8 -5 12.11 0.63 8 -8 5 1.05 0.51 -8 8 -5 1.72 0.34 8 8 5 1.50 0.34 8 8 5 1.93 0.39 -9 -8 -5 129.41 6.57 9 -8 5 113.13 3.62 10 -8 5 0.02 0.23 10 -8 5 1.04 0.34 10 -8 5 1.08 0.65 -10 -8 -5 0.23 0.38 10 8 5 0.15 0.34 11 -8 5 50.26 2.51 11 -8 5 45.25 1.65 -11 -8 -5 49.07 1.80 11 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30.05 2.03 8 -9 -5 0.82 0.47 -8 -9 5 0.87 0.86 -7 -9 5 190.85 8.73 7 -9 -5 193.74 7.09 7 -9 -5 194.51 7.33 7 9 -5 191.82 5.60 6 -9 -5 0.62 0.42 -6 -9 5 0.28 0.55 6 -9 -5 0.69 0.34 6 9 -5 1.12 0.27 5 -9 -5 1.13 0.42 -5 -9 5 0.49 0.57 5 -9 -5 0.41 0.29 5 9 -5 0.39 0.19 4 -9 -5 2.10 0.50 4 -9 -5 2.05 0.41 -4 -9 5 2.65 0.69 4 9 -5 2.24 0.27 3 -9 -5 245.82 8.98 -3 -9 5 258.03 10.51 3 -9 -5 251.61 9.07 3 -9 -5 247.29 10.20 3 9 -5 244.46 6.96 2 -9 -5 1.00 0.32 2 -9 -5 1.63 0.38 -2 -9 5 0.78 0.46 2 -9 -5 1.18 0.38 2 9 -5 1.06 0.18 -1 -9 5 110.77 4.75 1 -9 -5 105.27 4.01 1 -9 -5 103.04 4.50 1 -9 -5 103.87 4.04 -1 -9 5 99.03 3.95 1 9 -5 104.84 3.08 -1 9 5 107.49 3.06 0 -9 -5 0.85 0.29 0 -9 5 1.42 0.38 0 -9 5 1.04 0.46 0 -9 -5 0.75 0.33 0 -9 -5 1.48 0.38 0 9 5 0.97 0.20 0 9 -5 0.86 0.16 1 -9 5 53.08 2.36 1 -9 5 56.75 2.74 -1 9 -5 56.09 1.69 1 9 5 57.63 1.78 2 -9 5 0.77 0.37 2 -9 5 0.77 0.40 2 9 5 0.62 0.20 2 9 5 0.84 0.23 3 -9 5 175.25 6.53 3 -9 5 174.72 7.39 3 9 5 174.05 4.99 3 9 5 175.82 5.15 4 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2.90 -1 -10 5 64.02 3.13 1 -10 -5 62.55 2.66 1 10 -5 64.18 1.93 0 -10 -5 8.30 0.65 0 -10 5 7.76 0.76 0 -10 -5 7.93 0.76 0 -10 5 8.81 0.87 0 10 5 8.74 0.45 0 10 -5 8.55 0.40 1 -10 5 85.03 3.78 -1 -10 -5 76.29 3.17 1 -10 5 78.15 3.26 1 10 5 81.70 2.46 -2 -10 -5 27.81 1.41 2 -10 5 28.99 1.70 2 -10 5 29.29 1.53 2 10 5 29.91 1.08 3 -10 5 26.25 1.48 3 -10 5 27.49 1.58 3 10 5 25.80 0.99 3 10 5 26.91 1.05 4 -10 5 22.60 1.37 4 -10 5 21.61 1.37 4 10 5 20.20 0.93 4 10 5 21.78 0.88 5 -10 5 107.47 4.73 5 -10 5 108.32 4.33 5 10 5 103.94 3.22 5 10 5 105.01 3.35 6 -10 5 4.09 0.72 6 10 5 3.31 0.41 6 10 5 4.34 0.47 7 -10 5 3.40 0.70 7 10 5 2.97 0.45 7 10 5 2.77 0.41 8 -10 5 39.49 2.02 8 -10 5 37.58 1.14 8 -10 5 29.89 2.16 -8 -10 -5 38.26 1.44 -8 -10 -5 35.15 1.52 -8 -10 -5 30.07 2.67 9 -10 5 111.66 4.96 9 -10 5 114.12 3.37 -9 -10 -5 107.56 3.65 -9 -10 -5 107.71 3.56 9 -10 5 112.66 4.59 -9 -10 -5 112.77 6.19 -9 -10 -5 111.31 3.53 9 -10 5 113.03 3.42 10 -10 5 0.34 0.30 10 -10 5 0.05 0.23 10 -10 5 0.51 0.65 -10 -10 -5 -0.27 0.36 11 -10 5 18.16 0.83 -11 -10 -5 16.98 0.95 11 -10 5 17.99 0.87 11 -10 5 15.18 1.48 12 -10 5 3.80 0.43 -12 -10 -5 3.03 0.45 12 -10 5 3.98 0.42 12 -10 5 3.68 0.75 13 -10 5 11.85 0.63 13 -10 5 11.31 0.99 -13 -10 -5 11.75 0.68 13 -10 5 10.80 0.59 13 10 5 11.33 0.73 14 -10 5 0.60 0.23 14 -10 5 0.22 0.38 -14 -10 -5 0.71 0.24 14 10 5 0.87 0.30 14 -11 -5 34.22 1.31 -14 -11 5 36.60 1.23 14 11 -5 35.91 1.48 13 -11 -5 28.28 1.19 -13 -11 5 28.49 1.12 13 11 -5 29.41 1.28 -12 -11 5 0.15 0.30 12 -11 -5 0.16 0.30 -11 -11 5 35.98 1.45 11 -11 -5 39.22 1.46 11 -11 -5 35.92 1.45 -10 -11 5 38.66 1.59 -10 -11 5 36.69 1.49 10 -11 -5 38.19 1.45 -10 -11 5 39.18 1.41 9 -11 -5 13.33 1.20 9 -11 -5 14.56 0.66 -9 -11 5 13.79 1.32 -9 -11 5 13.70 0.73 8 -11 -5 8.45 0.49 -8 -11 5 8.75 0.58 -8 -11 5 8.12 1.11 8 -11 -5 9.65 1.09 7 -11 -5 50.92 2.47 7 -11 -5 44.81 2.13 6 -11 -5 23.60 1.50 6 -11 -5 23.29 1.29 6 11 -5 19.91 0.92 -5 -11 5 0.81 0.66 5 -11 -5 1.50 0.55 5 -11 -5 1.16 0.40 5 11 -5 1.69 0.29 4 -11 -5 50.40 2.40 4 -11 -5 53.04 2.30 -4 -11 5 48.09 2.83 4 11 -5 50.98 1.65 -3 -11 5 105.45 5.06 3 -11 -5 109.55 4.37 3 -11 -5 106.48 4.24 3 -11 -5 106.66 4.74 3 11 -5 111.96 3.29 2 -11 -5 14.34 0.95 -2 -11 5 12.79 1.18 2 -11 -5 14.10 0.99 2 -11 -5 13.57 1.04 2 11 -5 14.15 0.61 -1 -11 5 26.40 1.66 1 -11 -5 26.15 1.44 1 -11 -5 24.49 1.32 1 11 -5 24.53 0.89 0 -11 5 40.86 2.21 0 -11 5 39.33 1.87 0 -11 -5 38.26 1.80 -1 -11 -5 41.28 1.84 1 -11 5 39.31 2.19 1 -11 5 40.84 1.92 1 11 5 37.67 1.33 2 -11 5 27.96 1.52 -2 -11 -5 26.64 1.39 2 -11 5 28.01 1.68 2 11 5 28.61 1.06 3 -11 5 69.62 3.32 3 -11 5 68.13 2.99 3 11 5 68.66 2.24 4 -11 5 84.90 3.93 4 -11 5 89.26 3.63 4 11 5 82.54 2.63 4 11 5 83.84 2.73 5 -11 5 8.36 0.96 5 -11 5 8.84 0.86 5 11 5 7.92 0.58 5 11 5 7.75 0.58 6 -11 5 25.42 1.56 6 11 5 25.48 1.07 6 11 5 24.59 1.13 -7 -11 -5 9.52 2.00 7 -11 5 12.03 1.34 7 -11 5 12.86 1.14 7 -11 5 11.92 0.49 -7 -11 -5 11.95 0.76 -8 -11 -5 1.05 1.29 8 -11 5 4.63 0.99 8 -11 5 5.69 0.37 8 -11 5 6.80 0.93 -8 -11 -5 6.27 0.65 -8 -11 -5 5.30 0.55 -9 -11 -5 10.68 1.11 -9 -11 -5 7.55 0.63 -9 -11 -5 5.98 0.69 9 -11 5 7.32 1.17 9 -11 5 7.88 0.97 -10 -11 -5 45.47 2.76 10 -11 5 42.18 1.49 10 -11 5 47.04 2.58 -10 -11 -5 42.07 1.68 -10 -11 -5 40.91 1.73 11 -11 5 27.48 1.78 11 -11 5 24.08 1.01 -11 -11 -5 26.30 1.18 -12 -11 -5 3.60 0.46 12 -11 5 4.07 0.73 12 -11 5 3.43 0.38 13 -11 5 15.52 1.13 13 -11 5 17.09 0.76 13 11 5 17.88 0.91 14 -11 5 34.38 1.22 -14 -11 -5 35.84 1.21 14 -11 5 34.37 1.66 14 11 5 37.49 1.51 14 -12 -5 17.30 1.19 13 -12 -5 4.33 0.80 -13 -12 5 4.75 0.43 13 -12 -5 4.05 0.45 13 12 -5 4.28 0.41 12 -12 -5 70.15 2.34 11 -12 -5 5.67 0.55 -11 -12 5 7.35 0.63 -11 -12 5 6.69 0.64 -10 -12 5 0.76 0.27 10 -12 -5 0.53 0.24 -10 -12 5 1.53 0.39 -9 -12 5 6.05 0.52 -9 -12 5 5.75 0.61 9 -12 -5 5.94 0.42 -9 -12 5 4.99 0.90 8 -12 -5 62.17 1.83 8 -12 -5 61.90 2.99 8 -12 -5 60.57 2.63 -8 -12 5 59.87 2.06 -8 -12 5 61.47 3.75 -7 -12 5 3.25 0.83 7 -12 -5 1.33 0.45 7 -12 -5 1.26 0.38 -7 -12 5 0.60 0.28 7 -12 -5 1.67 0.64 7 -12 -5 0.79 0.29 7 -12 -5 1.08 0.19 6 -12 -5 71.48 3.00 6 -12 -5 68.55 3.22 5 -12 -5 9.83 0.84 -5 -12 5 8.10 1.22 5 -12 -5 10.72 1.09 5 12 -5 10.92 0.61 4 -12 -5 41.25 2.13 4 -12 -5 42.45 1.98 4 12 -5 39.56 1.46 3 -12 -5 0.04 0.30 3 -12 -5 0.14 0.42 -3 -12 5 -0.23 0.45 3 12 -5 0.05 0.18 2 -12 -5 137.04 5.47 2 -12 -5 141.81 6.03 2 -12 -5 138.13 5.36 -2 -12 5 137.24 6.33 2 12 -5 143.73 4.14 -1 -12 5 33.70 2.03 1 -12 -5 34.53 1.67 1 -12 -5 31.22 1.75 0 -12 -5 7.22 0.74 0 -12 5 5.04 0.69 0 -12 5 7.04 0.92 1 -12 5 19.42 1.38 -1 -12 -5 18.68 1.14 1 -12 5 20.38 1.30 2 -12 5 111.52 4.40 2 -12 5 103.14 4.91 2 12 5 109.74 3.30 3 -12 5 3.80 0.71 3 -12 5 5.00 0.77 3 12 5 5.24 0.47 4 -12 5 14.23 1.16 4 -12 5 17.03 1.20 4 12 5 14.87 0.78 5 -12 5 25.11 1.60 5 -12 5 28.25 1.66 5 12 5 23.05 1.05 5 12 5 25.95 1.14 -6 -12 -5 84.08 5.16 6 -12 5 85.45 3.48 -6 -12 -5 88.91 3.92 -6 -12 -5 79.38 2.84 6 -12 5 83.35 2.32 -6 -12 -5 81.82 2.78 6 -12 5 84.84 3.69 6 -12 5 79.11 3.52 6 -12 5 93.52 3.88 7 -12 5 0.84 0.16 -7 -12 -5 -1.61 1.60 -7 -12 -5 0.94 0.41 7 -12 5 0.66 0.62 7 -12 5 1.79 0.72 -7 -12 -5 0.92 0.35 7 -12 5 1.17 0.45 8 -12 5 83.07 3.58 -8 -12 -5 77.02 4.96 8 -12 5 81.11 2.28 -8 -12 -5 82.54 2.69 -8 -12 -5 83.92 2.80 8 -12 5 85.54 3.34 8 -12 5 62.52 3.69 -9 -12 -5 7.54 0.63 9 -12 5 9.08 1.27 9 -12 5 8.37 0.46 -9 -12 -5 8.13 1.13 -9 -12 -5 7.35 0.72 -10 -12 -5 3.36 0.70 -10 -12 -5 3.66 0.54 10 -12 5 5.09 0.97 10 -12 5 3.03 0.35 -10 -12 -5 2.83 0.48 -10 -12 -5 3.28 0.42 11 -12 5 0.92 0.62 11 -12 5 1.19 0.27 -11 -12 -5 0.28 0.33 -11 -12 -5 0.69 0.36 12 -12 5 47.82 1.65 -12 -12 -5 49.44 1.73 12 -12 5 52.80 2.42 -13 -12 -5 5.74 0.46 13 -12 5 5.73 0.68 13 -12 5 5.36 0.41 13 -12 5 5.82 0.73 13 12 5 5.42 0.47 13 -13 -5 0.33 0.26 -13 -13 5 0.10 0.22 13 -13 -5 0.27 0.45 13 13 -5 0.36 0.21 -12 -13 5 1.39 0.31 -12 -13 5 1.32 0.34 12 -13 -5 1.17 0.67 12 -13 -5 1.26 0.33 -11 -13 5 1.26 0.37 -11 -13 5 1.66 0.38 11 -13 -5 1.43 0.28 11 -13 -5 2.30 0.79 -10 -13 5 65.51 2.27 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0.35 10 -9 -7 0.96 0.39 10 -9 -7 1.13 0.36 10 9 -7 0.82 0.40 9 -9 -7 19.13 1.33 -9 -9 7 16.28 0.88 9 -9 -7 16.80 0.89 9 -9 -7 17.28 0.87 8 -9 -7 0.56 0.49 -8 -9 7 1.68 0.96 8 9 -7 0.78 0.33 7 -9 -7 134.73 5.29 -7 -9 7 142.31 6.41 7 -9 -7 129.58 5.02 7 9 -7 124.90 4.11 6 -9 -7 0.20 0.41 6 -9 -7 0.44 0.32 -6 -9 7 0.17 0.59 6 9 -7 0.22 0.24 -5 -9 7 80.99 4.19 5 -9 -7 86.91 3.61 5 -9 -7 89.60 3.49 5 9 -7 89.20 2.77 4 -9 -7 0.42 0.35 4 -9 -7 -0.04 0.27 -4 -9 7 0.69 0.52 4 9 -7 0.74 0.22 -3 -9 7 78.11 3.79 3 -9 -7 76.66 3.23 3 -9 -7 81.95 3.20 -3 9 7 76.81 2.35 3 9 -7 81.40 2.47 -2 -9 7 2.44 0.63 2 -9 -7 3.20 0.47 2 -9 -7 3.54 0.53 2 9 -7 4.30 0.34 -2 9 7 3.81 0.28 -1 -9 7 121.47 4.64 -1 -9 7 127.77 5.55 1 -9 -7 118.79 4.73 -1 9 7 125.87 3.64 1 9 -7 127.33 3.66 0 -9 7 2.60 0.60 0 -9 -7 2.20 0.45 0 -9 7 2.11 0.44 0 9 7 2.66 0.27 0 9 -7 2.03 0.24 1 -9 7 0.79 0.46 1 -9 7 0.56 0.35 1 9 7 0.82 0.22 -1 9 -7 0.27 0.16 2 -9 7 1.56 0.43 2 -9 7 1.21 0.44 2 9 7 1.43 0.27 -2 9 -7 1.14 0.20 2 9 7 1.85 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1.24 1 -10 -7 13.52 1.00 1 -10 -7 14.26 0.93 -1 -10 7 14.60 0.93 -1 10 7 15.57 0.63 1 10 -7 15.23 0.63 0 -10 -7 2.47 0.51 0 -10 7 2.43 0.47 0 -10 7 2.62 0.62 0 10 7 2.63 0.29 0 10 -7 1.74 0.22 1 -10 7 130.78 5.81 1 -10 7 131.47 5.05 -1 10 -7 132.30 3.85 1 10 7 131.93 3.93 2 -10 7 27.52 1.70 2 -10 7 30.65 1.55 2 10 7 28.54 1.10 3 -10 7 4.18 0.67 3 -10 7 6.25 0.76 3 10 7 5.85 0.46 3 10 7 5.62 0.48 4 -10 7 60.06 2.95 4 10 7 62.56 2.08 4 10 7 60.25 1.98 5 -10 7 47.40 2.46 5 -10 7 52.18 2.39 5 10 7 48.57 1.77 5 10 7 47.61 1.67 6 -10 7 0.63 0.46 6 10 7 0.40 0.26 6 10 7 0.33 0.31 7 -10 7 102.11 4.12 7 10 7 93.80 3.07 8 -10 7 14.71 1.16 -8 -10 -7 12.05 1.47 8 -10 7 15.79 0.76 -8 -10 -7 14.63 0.93 8 -10 7 16.63 1.57 -8 -10 -7 13.49 0.81 8 -10 7 14.34 0.67 -8 -10 -7 13.38 1.75 9 -10 7 38.28 1.39 -9 -10 -7 37.94 1.62 9 -10 7 37.70 1.33 -9 -10 -7 35.64 1.46 -9 -10 -7 37.26 1.58 9 -10 7 35.91 1.94 9 -10 7 40.19 2.33 10 -10 7 1.42 0.66 10 -10 7 1.59 0.30 -10 -10 -7 0.77 0.41 10 -10 7 1.70 0.37 11 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7 26.21 1.95 5 -11 -7 25.84 1.61 5 -11 -7 27.12 1.47 5 11 -7 25.45 1.08 -4 -11 7 81.35 4.55 4 -11 -7 98.58 4.00 4 -11 -7 101.92 3.89 4 11 -7 97.89 3.00 3 -11 -7 27.79 1.58 3 -11 -7 28.42 1.48 -3 -11 7 26.16 1.81 3 11 -7 25.47 1.02 2 -11 -7 4.18 0.59 -2 -11 7 3.89 0.78 2 -11 -7 3.53 0.64 2 11 -7 3.91 0.36 1 -11 -7 60.12 2.77 1 -11 -7 63.07 2.71 -1 -11 7 68.54 3.29 1 11 -7 62.44 1.99 0 -11 -7 125.12 4.77 0 -11 7 123.38 5.56 0 -11 7 120.50 4.73 0 11 7 122.72 3.67 1 -11 7 10.01 0.93 -1 -11 -7 10.61 0.84 1 -11 7 10.03 0.97 1 11 7 10.37 0.56 -2 -11 -7 67.39 2.83 2 -11 7 64.24 3.24 2 -11 7 69.13 2.91 2 11 7 64.80 2.16 3 -11 7 95.87 3.99 3 -11 7 97.49 4.46 3 11 7 97.58 3.07 4 -11 7 15.43 1.17 4 -11 7 14.00 1.14 4 11 7 14.76 0.79 4 11 7 16.05 0.75 5 -11 7 14.46 1.18 5 -11 7 14.91 1.15 5 11 7 16.20 0.78 5 11 7 15.35 0.83 6 -11 7 63.82 2.81 6 11 7 54.64 1.98 -7 -11 -7 1.71 1.59 -7 -11 -7 5.78 0.58 -7 -11 -7 6.17 0.65 7 -11 7 6.49 0.38 7 -11 7 6.23 0.86 7 -11 7 5.83 1.03 -7 -11 -7 7.19 1.13 8 -11 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42.89 2.33 5 -12 7 43.59 2.18 -5 -12 -7 40.54 1.62 5 -12 7 39.81 2.24 5 -12 7 38.69 1.91 -5 -12 -7 40.42 2.93 5 12 7 42.31 1.53 -6 -12 -7 0.18 0.32 6 -12 7 0.81 0.62 6 -12 7 0.64 0.53 -6 -12 -7 0.50 0.38 6 -12 7 0.82 0.45 6 -12 7 0.37 0.15 -6 -12 -7 0.63 0.90 -6 -12 -7 1.26 0.66 -7 -12 -7 4.61 0.60 7 -12 7 5.10 0.81 7 -12 7 4.43 0.31 7 -12 7 5.85 1.00 -7 -12 -7 5.32 0.56 -7 -12 -7 5.91 1.04 -7 -12 -7 1.49 1.68 7 -12 7 4.34 0.65 -8 -12 -7 51.72 1.84 -8 -12 -7 52.25 1.95 8 -12 7 50.60 2.46 -8 -12 -7 45.61 3.44 -8 -12 -7 45.87 2.76 8 -12 7 48.60 1.49 8 -12 7 48.40 2.74 -9 -12 -7 8.08 0.99 9 -12 7 5.04 0.98 -9 -12 -7 6.25 0.67 9 -12 7 6.27 0.42 -9 -12 -7 5.49 0.56 -10 -12 -7 1.90 0.46 -10 -12 -7 0.91 0.37 10 -12 7 0.60 0.23 -10 -12 -7 0.65 0.36 10 -12 7 0.48 0.60 -11 -12 -7 10.76 0.70 11 -12 7 12.48 1.16 -11 -12 -7 10.43 0.74 11 -12 7 10.26 0.57 12 -12 7 30.26 1.11 12 -12 7 29.34 1.64 -12 -12 -7 30.64 1.20 12 12 7 32.73 1.37 13 -12 7 0.97 0.40 13 -12 7 0.71 0.22 -13 -12 -7 1.13 0.27 13 12 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112.41 3.61 10 6 -9 114.27 3.64 -9 -6 9 26.49 2.03 -9 6 9 24.78 1.08 -9 6 9 27.98 1.11 9 6 -9 25.72 1.21 8 -6 -9 8.87 0.91 -8 -6 9 8.05 1.16 -8 6 9 6.92 0.49 8 6 -9 8.30 0.67 -8 6 9 8.50 0.53 -7 -6 9 17.48 1.42 7 -6 -9 17.87 1.16 -7 6 9 17.25 0.78 7 6 -9 16.51 0.85 -7 6 9 18.55 0.78 6 -6 -9 138.87 5.19 -6 -6 9 130.57 5.96 6 6 -9 135.35 4.11 -6 6 9 135.63 4.01 -6 6 9 131.23 3.90 -5 -6 9 8.96 0.86 -5 6 9 8.57 0.47 -5 6 9 9.93 0.49 5 6 -9 9.99 0.56 -4 -6 9 28.47 1.62 4 6 -9 28.57 1.06 -4 6 9 25.94 0.93 -4 6 9 26.73 0.96 -3 -6 9 151.06 6.50 3 6 -9 156.02 4.49 -3 6 9 150.45 4.30 -3 6 9 150.07 4.41 -2 -6 9 8.57 0.79 2 -6 -9 7.17 0.49 -2 6 9 7.72 0.39 2 6 -9 7.93 0.46 -2 6 9 8.17 0.41 -1 -6 9 4.05 0.63 1 6 -9 3.42 0.32 -1 6 9 3.76 0.29 -1 6 9 4.03 0.31 0 -6 9 164.87 6.92 0 6 -9 166.05 4.78 0 6 9 160.59 4.63 0 6 9 165.82 4.77 1 -6 9 50.08 2.52 -1 6 -9 53.68 1.72 1 6 9 55.14 1.73 1 6 9 56.39 1.68 2 -6 9 10.94 0.75 2 -6 9 10.48 0.81 2 6 9 9.55 0.50 2 6 9 9.69 0.53 -2 6 -9 9.73 0.53 3 -6 9 23.81 1.30 3 -6 9 23.82 1.22 3 6 9 23.32 0.94 -3 6 -9 22.56 0.85 3 6 9 23.19 0.89 -3 6 -9 22.74 0.91 4 -6 9 124.93 4.59 4 -6 9 118.56 5.09 -4 6 -9 121.75 3.53 -4 6 -9 117.55 3.65 4 6 9 121.49 3.56 4 6 9 118.50 3.67 5 -6 9 18.33 1.04 -5 6 -9 16.97 0.79 -5 6 -9 17.55 0.76 5 6 9 14.50 0.79 5 6 9 18.29 0.78 6 -6 9 2.82 0.50 -6 6 -9 2.58 0.36 6 6 9 2.75 0.36 6 6 9 2.26 0.36 -6 6 -9 3.28 0.39 7 -6 9 45.10 2.02 -7 6 -9 42.94 1.59 -7 6 -9 42.40 1.54 7 6 9 42.94 1.64 8 6 9 84.99 2.92 -8 6 -9 89.86 2.80 8 6 9 88.93 2.79 -8 6 -9 86.73 2.87 9 -6 9 3.87 0.48 -9 -6 -9 3.71 0.78 9 -6 9 5.30 0.81 9 -6 9 4.05 0.42 -9 -6 -9 4.58 0.60 9 6 9 4.64 0.52 10 -6 9 22.18 1.05 -10 -6 -9 21.94 1.12 10 -6 9 21.22 1.46 10 -6 9 24.07 0.99 -10 -6 -9 21.94 1.56 10 6 9 22.89 1.08 10 6 9 22.55 1.14 -11 -6 -9 5.39 0.60 11 -6 9 5.12 0.49 -11 -6 -9 5.58 0.83 11 -6 9 5.38 0.57 11 -6 9 5.04 0.78 11 6 9 4.12 0.53 11 6 9 5.76 0.58 -12 -6 -9 9.46 0.66 12 -6 9 9.57 0.61 12 -6 9 9.17 0.97 12 -6 9 8.69 0.69 12 6 9 8.57 0.72 12 6 9 9.31 0.72 13 -6 9 9.44 0.62 13 -6 9 10.99 0.69 13 -6 9 11.22 0.97 -13 -6 -9 10.54 0.64 13 6 9 9.90 0.69 13 6 9 9.29 0.75 14 -6 9 45.46 1.55 14 -6 9 44.14 1.56 -14 -6 -9 42.74 1.42 14 -6 9 42.15 2.02 14 6 9 42.70 1.52 14 6 9 40.80 1.85 15 -6 9 5.26 0.42 15 -6 9 4.18 0.39 15 -6 9 4.96 0.59 15 6 9 4.22 0.48 15 6 9 4.65 0.39 15 -7 -9 33.57 1.27 15 -7 -9 34.13 1.31 -15 -7 9 32.88 1.08 15 7 -9 31.97 1.24 -14 -7 9 13.69 0.66 14 -7 -9 12.77 0.82 14 -7 -9 13.04 0.81 14 7 -9 14.19 0.85 -13 -7 9 0.63 0.27 13 -7 -9 0.72 0.38 13 -7 -9 -0.06 0.38 13 7 -9 -0.38 0.37 -12 -7 9 35.58 1.38 12 -7 -9 36.33 1.56 12 -7 -9 35.77 1.53 12 7 -9 36.39 1.56 11 -7 -9 86.28 2.98 -11 -7 9 90.03 2.82 11 -7 -9 89.79 2.98 11 7 -9 84.93 2.96 -10 -7 9 0.74 0.33 10 -7 -9 1.79 0.42 10 -7 -9 1.63 0.44 10 -7 -9 2.23 0.41 10 7 -9 1.32 0.45 9 -7 -9 15.00 0.82 9 -7 -9 14.15 0.83 9 -7 -9 14.55 1.14 -8 -7 9 67.94 3.68 8 -7 -9 66.03 2.98 -8 7 9 68.16 2.23 -7 -7 9 58.88 3.10 7 -7 -9 55.55 2.54 7 7 -9 53.73 1.97 -7 7 9 55.96 1.86 -6 -7 9 5.37 0.86 6 -7 -9 4.76 0.56 6 -7 -9 4.97 0.68 6 7 -9 4.60 0.46 -6 7 9 4.62 0.38 5 -7 -9 75.00 2.97 -5 -7 9 72.59 3.54 -5 7 9 73.58 2.28 5 7 -9 72.69 2.39 -4 -7 9 16.37 1.26 4 7 -9 17.84 0.78 -4 7 9 17.70 0.69 -3 -7 9 13.57 1.04 3 7 -9 12.37 0.60 -3 7 9 12.97 0.55 -3 7 9 11.20 0.51 -2 -7 9 17.81 1.23 2 7 -9 17.00 0.72 -2 7 9 17.43 0.67 -2 7 9 15.78 0.63 -1 -7 9 103.01 4.91 1 7 -9 114.47 3.34 -1 7 9 115.85 3.31 -1 7 9 112.12 3.21 0 -7 9 86.34 3.77 0 7 -9 83.45 2.51 0 7 9 81.71 2.51 0 7 9 78.73 2.42 1 -7 9 40.97 2.09 1 -7 9 42.49 1.85 -1 7 -9 40.89 1.38 1 7 9 42.31 1.40 1 7 9 40.32 1.33 2 -7 9 81.48 3.58 2 -7 9 74.92 3.14 2 7 9 77.01 2.38 -2 7 -9 78.31 2.44 2 7 9 83.81 2.49 3 -7 9 79.06 3.17 3 -7 9 79.24 3.55 -3 7 -9 77.97 2.47 3 7 9 79.35 2.52 3 7 9 80.14 2.42 4 -7 9 4.88 0.61 4 -7 9 4.31 0.57 -4 7 -9 4.64 0.42 4 7 9 4.94 0.46 4 7 9 5.20 0.43 5 -7 9 104.12 4.59 5 -7 9 113.11 4.20 -5 7 -9 105.59 3.28 5 7 9 107.41 3.23 5 7 9 101.57 3.33 6 -7 9 42.71 1.98 6 7 9 42.44 1.50 -6 7 -9 40.94 1.51 6 7 9 41.43 1.58 7 -7 9 4.58 0.64 -7 7 -9 4.59 0.46 7 7 9 4.04 0.49 7 7 9 4.38 0.47 8 7 9 13.06 0.74 -8 7 -9 11.76 0.72 8 7 9 12.17 0.79 9 -7 9 170.95 6.68 9 -7 9 170.13 5.13 9 -7 9 166.50 5.04 -9 -7 -9 169.62 5.21 -9 -7 -9 179.67 7.18 9 7 9 171.81 5.08 -10 -7 -9 9.86 0.80 10 -7 9 10.23 1.10 10 -7 9 9.75 0.61 -10 -7 -9 10.24 1.16 10 -7 9 8.36 0.68 10 7 9 8.58 0.71 11 -7 9 8.17 0.98 11 -7 9 7.86 0.66 -11 -7 -9 8.41 0.72 11 -7 9 7.73 0.60 -11 -7 -9 8.84 1.05 11 7 9 9.09 0.67 11 7 9 8.07 0.67 12 -7 9 24.74 1.57 12 -7 9 27.21 1.18 -12 -7 -9 27.14 1.18 12 -7 9 29.35 1.14 12 7 9 26.73 1.32 12 7 9 26.84 1.17 13 -7 9 25.45 1.07 13 -7 9 22.14 1.41 13 -7 9 24.44 1.03 -13 -7 -9 26.25 1.04 13 7 9 24.52 1.06 13 7 9 24.21 1.24 14 -7 9 0.01 0.37 14 -7 9 -0.12 0.25 14 -7 9 -0.15 0.22 -14 -7 -9 0.11 0.21 14 7 9 0.19 0.26 14 7 9 0.08 0.28 15 -7 9 23.64 1.20 15 -7 9 22.14 0.88 15 -7 9 22.58 0.85 15 -8 -9 0.72 0.28 -15 -8 9 1.21 0.21 15 -8 -9 0.83 0.27 14 -8 -9 2.92 0.45 14 -8 -9 2.46 0.41 -14 -8 9 2.12 0.31 14 8 -9 1.48 0.40 -13 -8 9 46.77 1.57 13 -8 -9 43.46 1.73 13 -8 -9 44.73 1.71 13 8 -9 41.63 1.68 -12 -8 9 0.42 0.30 12 -8 -9 0.18 0.34 12 -8 -9 1.04 0.42 12 8 -9 1.02 0.42 11 -8 -9 31.57 1.39 -11 -8 9 31.09 1.29 11 -8 -9 34.19 1.42 11 8 -9 30.70 1.40 10 -8 -9 1.92 0.41 -10 -8 9 1.32 0.37 10 -8 -9 1.58 0.43 10 8 -9 1.82 0.47 9 -8 -9 63.76 2.20 9 -8 -9 62.06 2.18 -9 -8 9 61.00 2.11 9 -8 -9 62.36 2.91 9 -8 -9 63.98 2.16 9 8 -9 61.16 2.19 8 -8 -9 -0.55 0.40 -8 -8 9 0.34 0.71 -8 8 9 0.22 0.22 8 8 -9 0.34 0.29 -7 -8 9 54.73 3.02 7 -8 -9 54.47 2.52 -7 8 9 53.25 1.75 7 8 -9 48.09 1.87 -6 -8 9 8.28 1.12 6 -8 -9 7.49 0.73 6 -8 -9 7.17 0.82 -6 8 9 7.48 0.45 6 8 -9 6.66 0.56 5 -8 -9 37.88 1.73 5 -8 -9 39.07 1.88 -5 -8 9 30.18 2.07 -5 8 9 37.64 1.25 5 8 -9 36.87 1.37 -4 -8 9 8.19 0.98 4 -8 -9 7.45 0.77 -4 8 9 7.94 0.42 4 8 -9 7.67 0.50 -3 -8 9 162.11 6.99 3 8 -9 158.65 4.73 -3 8 9 159.33 4.64 -2 -8 9 5.91 0.82 2 8 -9 5.22 0.38 -2 8 9 5.58 0.35 -1 -8 9 25.61 1.58 -1 8 9 23.97 0.90 1 8 -9 25.77 0.94 0 -8 9 10.82 0.95 0 8 9 10.24 0.52 0 8 9 10.34 0.49 0 8 -9 10.19 0.51 1 -8 9 102.15 3.98 1 -8 9 104.42 4.60 -1 8 -9 100.29 3.09 1 8 9 105.27 3.13 1 8 9 102.77 3.02 2 -8 9 0.08 0.33 2 -8 9 0.57 0.40 2 8 9 0.13 0.18 2 8 9 0.29 0.22 -2 8 -9 -0.05 0.16 3 -8 9 59.84 2.60 3 -8 9 59.29 2.88 -3 8 -9 63.04 1.98 3 8 9 61.78 1.95 3 8 9 60.57 2.03 4 -8 9 2.11 0.49 4 -8 9 2.96 0.54 -4 8 -9 1.77 0.30 4 8 9 2.56 0.34 4 8 9 2.73 0.36 5 -8 9 12.98 0.95 5 -8 9 12.65 0.94 5 8 9 11.33 0.69 5 8 9 13.39 0.68 -5 8 -9 12.88 0.66 6 -8 9 6.88 0.77 6 8 9 7.93 0.63 -6 8 -9 7.25 0.52 6 8 9 7.54 0.57 7 -8 9 81.80 3.41 7 8 9 80.62 2.74 -7 8 -9 78.72 2.62 7 8 9 81.77 2.62 8 -8 9 0.27 0.44 -8 -8 -9 0.61 0.64 8 -8 9 0.62 0.22 8 -8 9 0.80 0.32 -9 -8 -9 4.82 0.91 9 -8 9 3.59 0.76 -9 -8 -9 4.10 0.60 9 -8 9 4.43 0.49 9 -8 9 3.67 0.40 9 8 9 3.82 0.49 10 -8 9 1.52 0.32 10 -8 9 1.49 0.37 10 -8 9 1.31 0.60 -10 -8 -9 0.92 0.60 -10 -8 -9 1.46 0.44 10 8 9 2.20 0.42 11 -8 9 42.66 1.59 -11 -8 -9 44.22 1.69 11 -8 9 39.23 2.18 11 -8 9 45.01 1.55 11 8 9 42.32 1.59 11 8 9 42.17 1.83 12 -8 9 2.07 0.35 -12 -8 -9 2.30 0.42 12 -8 9 2.22 0.40 12 -8 9 2.90 0.61 12 8 9 1.57 0.36 12 8 9 1.88 0.39 13 -8 9 21.80 1.34 -13 -8 -9 23.02 0.96 13 -8 9 22.51 0.94 13 -8 9 21.74 0.94 13 8 9 21.07 1.11 13 8 9 20.72 0.92 14 -8 9 7.88 0.49 14 -8 9 6.91 0.73 14 -8 9 8.00 0.49 -14 -8 -9 7.24 0.46 14 8 9 6.75 0.59 15 -9 -9 36.07 1.31 14 -9 -9 -0.02 0.29 14 -9 -9 -0.06 0.28 -14 -9 9 -0.04 0.21 -13 -9 9 4.94 0.46 13 -9 -9 5.51 0.56 13 -9 -9 4.58 0.53 12 -9 -9 1.12 0.40 -12 -9 9 0.98 0.33 12 -9 -9 1.05 0.41 -11 -9 9 58.73 2.01 11 -9 -9 57.33 2.10 11 -9 -9 58.27 2.12 11 9 -9 57.48 2.08 10 -9 -9 3.04 0.50 -10 -9 9 3.76 0.48 10 -9 -9 2.93 0.48 10 9 -9 3.69 0.55 -9 -9 9 29.41 1.27 9 -9 -9 31.72 1.33 9 -9 -9 35.20 1.92 9 -9 -9 32.00 1.33 8 -9 -9 7.38 0.95 8 -9 -9 5.75 0.57 -8 -9 9 5.52 0.46 8 -9 -9 5.91 0.56 -7 -9 9 44.10 3.10 7 -9 -9 60.43 2.69 7 9 -9 60.55 2.04 -6 -9 9 0.28 0.60 6 -9 -9 0.44 0.35 6 -9 -9 0.15 0.42 6 9 -9 0.11 0.24 5 -9 -9 174.12 6.67 5 -9 -9 179.80 6.56 -5 9 9 168.35 5.08 5 9 -9 178.39 5.25 -4 -9 9 13.86 1.22 4 -9 -9 12.69 0.99 4 -9 -9 13.80 0.93 4 9 -9 13.93 0.68 -4 9 9 13.32 0.58 -3 -9 9 3.53 0.74 3 -9 -9 3.89 0.59 -3 9 9 3.45 0.30 3 9 -9 2.94 0.34 -2 -9 9 0.49 0.47 2 -9 -9 0.65 0.38 2 9 -9 0.62 0.21 -2 9 9 0.85 0.19 -1 -9 9 105.31 4.87 1 9 -9 104.90 3.22 -1 9 9 109.52 3.20 0 -9 9 0.34 0.42 0 9 -9 0.87 0.20 0 9 9 0.72 0.21 1 -9 9 53.93 2.76 1 -9 9 53.99 2.38 1 9 9 55.74 1.82 1 9 9 54.98 1.74 -1 9 -9 56.73 1.79 2 -9 9 1.62 0.50 2 -9 9 0.71 0.37 2 9 9 1.10 0.26 -2 9 -9 1.62 0.25 2 9 9 0.94 0.23 3 -9 9 180.25 7.79 3 -9 9 190.78 6.90 3 9 9 181.48 5.30 3 9 9 185.83 5.48 -3 9 -9 182.65 5.39 4 -9 9 12.88 0.95 4 -9 9 12.12 0.95 4 9 9 10.63 0.66 -4 9 -9 11.83 0.61 4 9 9 11.29 0.62 5 -9 9 62.40 2.91 5 -9 9 64.25 2.73 -5 9 -9 58.51 1.99 5 9 9 58.82 2.01 5 9 9 58.85 2.10 6 -9 9 0.60 0.45 6 9 9 1.06 0.32 6 9 9 0.49 0.27 7 -9 9 4.92 0.72 7 9 9 4.74 0.51 8 -9 9 7.31 0.48 -8 -9 -9 6.69 0.63 -8 -9 -9 5.50 1.07 8 -9 9 7.41 0.57 8 -9 9 8.52 1.09 8 -9 9 6.66 0.86 -8 -9 -9 8.10 0.78 9 -9 9 167.98 5.11 9 -9 9 171.50 5.06 9 -9 9 180.63 6.85 -9 -9 -9 170.41 5.25 -9 -9 -9 170.94 7.30 10 -9 9 1.10 0.34 -10 -9 -9 1.38 0.44 -10 -9 -9 1.43 0.68 10 -9 9 1.84 0.64 10 -9 9 1.52 0.30 10 9 9 1.70 0.39 11 -9 9 10.29 1.11 11 -9 9 12.93 0.73 11 -9 9 12.43 0.68 -11 -9 -9 11.93 0.82 11 9 9 12.17 0.73 11 9 9 14.03 0.81 12 -9 9 3.66 0.42 12 -9 9 3.11 0.61 12 -9 9 3.60 0.40 -12 -9 -9 3.05 0.45 12 9 9 4.06 0.47 13 -9 9 37.96 1.90 13 -9 9 40.22 1.37 13 -9 9 40.23 1.40 -13 -9 -9 39.86 1.41 13 9 9 37.39 1.68 14 -9 9 0.24 0.20 14 -9 9 0.73 0.23 -14 -9 -9 1.03 0.22 14 -9 9 0.65 0.38 14 9 9 0.95 0.29 -14 -10 9 8.20 0.48 14 -10 -9 9.09 0.60 13 -10 -9 30.85 1.21 13 -10 -9 32.61 1.33 -13 -10 9 32.72 1.19 12 -10 -9 1.84 0.41 -12 -10 9 2.15 0.36 12 -10 -9 1.68 0.40 11 -10 -9 6.39 0.61 -11 -10 9 4.70 0.52 11 -10 -9 5.15 0.57 10 -10 -9 20.69 1.04 -10 -10 9 20.75 1.00 10 -10 -9 21.56 1.06 -9 -10 9 61.76 2.18 9 -10 -9 64.54 2.16 -9 -10 9 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4 -10 9 63.72 3.12 4 10 9 64.71 2.12 4 10 9 64.30 2.21 5 -10 9 34.50 1.82 5 -10 9 34.56 1.92 5 10 9 33.61 1.32 5 10 9 35.44 1.41 6 -10 9 2.77 0.61 6 10 9 3.34 0.44 6 10 9 2.72 0.43 7 -10 9 84.68 3.88 7 -10 9 84.11 2.67 7 -10 9 85.27 2.62 -7 -10 -9 87.66 2.89 7 -10 9 89.97 3.70 -8 -10 -9 21.96 1.89 8 -10 9 27.53 1.59 8 -10 9 28.57 1.86 -8 -10 -9 23.87 1.24 -8 -10 -9 20.76 2.05 -8 -10 -9 27.13 1.18 8 -10 9 26.20 1.04 8 -10 9 26.38 0.98 9 -10 9 3.06 0.35 9 -10 9 3.66 0.44 -9 -10 -9 2.79 0.84 9 -10 9 3.27 0.80 -9 -10 -9 2.87 0.55 10 -10 9 18.47 0.86 10 -10 9 19.78 1.45 -10 -10 -9 19.42 1.51 -10 -10 -9 17.92 1.02 10 -10 9 16.99 0.80 -11 -10 -9 43.86 1.64 11 -10 9 40.56 2.16 11 -10 9 41.40 1.48 11 -10 9 43.47 1.50 11 10 9 41.37 1.79 -12 -10 -9 -0.21 0.28 12 -10 9 -0.04 0.41 12 -10 9 0.00 0.25 12 -10 9 0.59 0.25 12 10 9 0.43 0.28 13 -10 9 15.46 1.07 -13 -10 -9 15.90 0.76 13 -10 9 17.77 0.74 13 10 9 16.23 0.88 -14 -10 -9 8.74 0.45 14 -10 9 7.84 0.69 14 -10 9 8.67 0.47 14 -11 -9 12.93 0.68 -13 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-10 -5 10 1.04 0.32 10 -5 -10 1.78 0.40 10 -5 -10 1.31 0.42 10 5 -10 0.90 0.42 -9 -5 10 67.11 3.52 -9 5 10 59.78 2.09 -9 5 10 62.36 2.16 8 -5 -10 2.22 0.52 -8 -5 10 2.32 0.77 8 5 -10 1.47 0.36 -8 5 10 2.36 0.34 -8 5 10 2.08 0.32 -7 -5 10 84.35 3.96 7 -5 -10 81.98 3.37 -7 5 10 79.16 2.52 -7 5 10 83.36 2.60 7 5 -10 76.72 2.65 -6 -5 10 15.44 1.18 -6 5 10 14.89 0.67 -6 5 10 15.93 0.71 6 5 -10 14.02 0.74 -5 -5 10 170.83 7.54 -5 5 10 179.92 5.07 5 5 -10 180.28 5.28 -5 5 10 179.19 5.20 -4 -5 10 2.73 0.52 -4 5 10 1.95 0.25 4 5 -10 2.23 0.30 -4 5 10 2.32 0.26 -3 -5 10 18.60 1.16 -3 5 10 14.82 0.63 -3 5 10 16.85 0.67 3 5 -10 16.93 0.73 -2 -5 10 -0.15 0.36 -2 5 10 0.66 0.19 2 5 -10 0.47 0.20 -2 5 10 0.27 0.17 -1 -5 10 185.90 7.68 -1 5 10 179.80 5.17 -1 5 10 185.09 5.31 1 5 -10 184.58 5.34 0 -5 10 0.46 0.37 0 5 -10 0.17 0.19 0 5 10 0.29 0.17 0 5 10 0.38 0.18 1 -5 10 44.17 2.14 1 5 10 44.02 1.48 1 5 10 45.39 1.43 -1 5 -10 44.66 1.49 2 -5 10 20.46 1.18 2 5 10 21.49 0.85 -2 5 -10 21.42 0.86 2 5 10 21.52 0.81 -2 5 -10 20.34 0.78 3 5 10 3.14 0.36 3 5 10 2.95 0.32 -3 5 -10 2.43 0.29 -3 5 -10 3.10 0.36 -4 5 -10 0.53 0.22 4 5 10 0.37 0.22 -4 5 -10 0.45 0.24 4 5 10 0.28 0.23 -5 5 -10 57.78 1.98 -5 5 -10 56.90 1.90 5 5 10 58.87 1.90 5 5 10 58.21 1.98 6 5 10 0.29 0.26 6 5 10 0.63 0.26 -6 5 -10 0.20 0.24 -6 5 -10 0.26 0.23 -7 5 -10 0.17 0.25 -7 5 -10 0.53 0.28 7 5 10 0.51 0.27 7 5 10 0.48 0.29 -8 5 -10 6.73 0.59 -8 5 -10 6.62 0.60 8 5 10 7.68 0.59 -9 -5 -10 121.83 5.10 -9 -5 -10 121.60 3.78 9 -5 10 119.34 3.72 9 -5 10 115.73 3.61 9 5 10 116.12 3.65 -10 -5 -10 0.90 0.50 10 -5 10 0.32 0.24 10 -5 10 0.23 0.31 -10 -5 -10 0.09 0.37 10 -5 10 0.57 0.46 10 5 10 0.67 0.34 10 5 10 0.19 0.28 11 -5 10 33.30 1.38 -11 -5 -10 34.57 1.39 -11 -5 -10 31.50 1.87 11 -5 10 30.21 1.76 11 -5 10 33.80 1.30 11 5 10 32.21 1.53 11 5 10 32.83 1.36 12 -5 10 1.97 0.36 -12 -5 -10 2.44 0.60 12 -5 10 2.22 0.59 12 -5 10 2.31 0.42 -12 -5 -10 2.17 0.40 12 5 10 2.32 0.44 12 5 10 2.27 0.43 13 -5 10 41.79 1.62 13 -5 10 42.60 1.58 -13 -5 -10 43.24 1.51 13 -5 10 43.32 2.11 13 5 10 43.48 1.93 13 5 10 45.04 1.62 14 -5 10 1.90 0.49 -14 -5 -10 1.72 0.26 14 -5 10 1.97 0.36 14 -5 10 2.36 0.35 14 5 10 2.52 0.41 14 5 10 1.15 0.37 15 -5 10 40.64 1.43 15 -5 10 40.40 1.85 15 -5 10 42.75 1.46 15 5 10 42.04 1.78 15 5 10 43.85 1.42 15 -6 -10 2.47 0.40 15 -6 -10 3.28 0.43 -15 -6 10 3.07 0.27 15 6 -10 3.30 0.44 14 -6 -10 15.34 0.90 -14 -6 10 15.63 0.70 14 -6 -10 15.87 0.92 14 6 -10 16.45 0.94 -13 -6 10 54.41 1.81 13 -6 -10 53.57 2.05 13 -6 -10 53.80 2.05 13 6 -10 55.79 2.07 -12 -6 10 0.87 0.31 12 -6 -10 0.83 0.38 12 -6 -10 2.11 0.49 12 6 -10 0.63 0.42 11 -6 -10 20.64 1.10 -11 -6 10 18.31 0.92 11 -6 -10 20.46 1.07 11 6 -10 20.14 1.12 10 -6 -10 66.69 2.37 -10 -6 10 63.38 2.17 10 -6 -10 65.83 2.33 10 6 -10 66.48 2.36 -9 -6 10 9.57 1.40 -9 6 10 9.91 0.62 -8 -6 10 0.27 0.58 8 -6 -10 0.58 0.43 -8 6 10 0.28 0.24 8 6 -10 0.83 0.31 -8 6 10 -0.04 0.21 7 -6 -10 88.22 3.52 -7 -6 10 85.38 4.11 -7 6 10 84.41 2.65 -7 6 10 81.60 2.58 7 6 -10 78.38 2.73 -6 -6 10 49.53 2.65 -6 6 10 50.48 1.68 6 6 -10 49.39 1.77 -6 6 10 50.97 1.65 -5 -6 10 15.03 1.13 -5 6 10 14.83 0.64 5 6 -10 15.54 0.74 -5 6 10 14.23 0.65 -4 -6 10 38.68 2.13 -4 6 10 39.16 1.30 -4 6 10 40.40 1.35 4 6 -10 42.14 1.44 -3 -6 10 121.80 5.40 -3 6 10 125.74 3.65 3 6 -10 127.28 3.73 -3 6 10 119.02 3.54 -2 -6 10 14.19 1.06 -2 6 10 14.51 0.59 -2 6 10 14.43 0.61 2 6 -10 15.67 0.67 -1 -6 10 10.61 0.94 1 6 -10 12.02 0.57 -1 6 10 12.31 0.55 -1 6 10 12.09 0.52 0 -6 10 13.40 1.03 0 6 -10 14.80 0.66 0 6 10 15.97 0.65 0 6 10 15.47 0.61 1 -6 10 130.35 5.74 1 6 10 135.43 4.00 1 6 10 135.36 3.88 -1 6 -10 138.98 4.01 2 -6 10 35.15 1.83 2 6 10 36.43 1.29 2 6 10 36.68 1.24 -2 6 -10 37.15 1.29 3 -6 10 107.14 4.70 -3 6 -10 110.37 3.36 -3 6 -10 109.65 3.23 3 6 10 110.65 3.38 3 6 10 112.19 3.27 4 -6 10 22.88 1.26 -4 6 -10 22.43 0.92 4 6 10 25.20 0.96 -4 6 -10 24.59 1.00 4 6 10 23.45 1.00 5 -6 10 3.76 0.53 5 6 10 3.44 0.41 -5 6 -10 3.32 0.38 -5 6 -10 3.34 0.40 5 6 10 4.12 0.40 -6 6 -10 23.05 1.00 6 6 10 22.90 1.02 6 6 10 22.71 0.96 -6 6 -10 20.52 0.94 -7 6 -10 141.05 4.35 -7 6 -10 143.70 4.24 7 6 10 136.54 4.38 7 6 10 142.40 4.23 8 6 10 3.27 0.50 -8 6 -10 2.37 0.42 8 6 10 3.04 0.43 -8 6 -10 3.36 0.44 -9 -6 -10 19.95 1.09 9 -6 10 20.12 1.40 9 -6 10 20.79 0.89 9 -6 10 20.25 0.98 -9 -6 -10 19.80 1.50 9 6 10 20.56 0.99 10 -6 10 33.69 1.88 10 -6 10 34.61 1.31 10 -6 10 35.44 1.40 -10 -6 -10 35.01 2.01 -10 -6 -10 35.04 1.48 10 6 10 33.47 1.53 10 6 10 32.83 1.38 -11 -6 -10 31.59 1.90 11 -6 10 35.61 1.31 11 -6 10 32.99 1.37 -11 -6 -10 31.72 1.38 11 -6 10 33.12 1.83 11 6 10 31.27 1.51 11 6 10 34.51 1.37 12 -6 10 0.39 0.26 12 -6 10 -0.08 0.44 -12 -6 -10 0.65 0.46 -12 -6 -10 -0.30 0.28 12 -6 10 0.40 0.31 12 6 10 1.03 0.35 12 6 10 0.15 0.31 -13 -6 -10 37.50 1.39 13 -6 10 40.71 1.46 13 -6 10 38.16 1.94 13 -6 10 39.54 1.49 13 6 10 38.87 1.46 13 6 10 38.01 1.74 14 -6 10 20.03 0.91 14 -6 10 22.20 0.91 14 -6 10 20.80 1.23 -14 -6 -10 19.89 0.80 14 6 10 22.14 0.92 14 6 10 20.34 1.09 15 -6 10 10.93 0.77 15 -6 10 10.12 0.56 15 -7 -10 30.74 1.17 15 -7 -10 29.29 1.20 -15 -7 10 31.05 0.99 15 7 -10 28.66 1.14 14 -7 -10 16.87 0.91 -14 -7 10 15.98 0.71 14 -7 -10 15.44 0.89 14 7 -10 17.11 0.90 13 -7 -10 14.73 0.92 13 -7 -10 14.09 0.88 -13 -7 10 14.00 0.71 13 7 -10 12.52 0.87 12 -7 -10 56.22 2.15 12 -7 -10 58.21 2.17 -12 -7 10 59.76 1.98 12 7 -10 56.76 2.15 -11 -7 10 1.19 0.33 11 -7 -10 0.47 0.37 11 -7 -10 0.80 0.43 11 7 -10 1.31 0.44 10 -7 -10 0.02 0.31 10 -7 -10 0.30 0.37 -10 -7 10 0.60 0.31 10 7 -10 1.07 0.40 -9 -7 10 5.23 0.53 9 -7 -10 6.28 0.63 9 -7 -10 5.63 0.58 9 -7 -10 6.48 0.85 9 7 -10 6.28 0.65 8 -7 -10 24.81 1.52 -8 -7 10 24.83 1.87 -8 7 10 24.58 1.02 8 7 -10 23.85 1.13 7 -7 -10 1.82 0.53 -7 -7 10 2.12 0.71 7 7 -10 2.34 0.38 -7 7 10 1.68 0.29 6 -7 -10 79.99 3.35 -6 -7 10 77.18 3.86 6 -7 -10 79.65 3.18 -6 7 10 80.27 2.49 6 7 -10 77.89 2.60 -5 -7 10 28.66 1.78 -5 7 10 29.38 1.06 5 7 -10 28.15 1.14 -4 -7 10 26.49 1.70 -4 7 10 28.18 0.98 -4 7 10 27.15 1.00 4 7 -10 28.11 1.09 -3 -7 10 13.14 1.08 3 7 -10 11.16 0.59 -3 7 10 12.10 0.55 -3 7 10 10.61 0.50 -2 -7 10 116.09 5.76 2 7 -10 137.53 3.97 -2 7 10 130.22 3.80 -2 7 10 146.07 3.93 -1 -7 10 74.87 3.42 1 7 -10 72.22 2.26 -1 7 10 71.28 2.22 -1 7 10 69.49 2.15 0 -7 10 28.00 1.57 0 7 10 27.34 0.99 0 7 10 26.64 0.95 0 7 -10 25.66 0.99 1 -7 10 13.06 1.02 1 7 10 15.40 0.64 1 7 10 15.21 0.68 -1 7 -10 15.99 0.68 2 -7 10 148.68 6.53 2 7 10 154.47 4.59 2 7 10 157.02 4.45 -2 7 -10 157.14 4.57 3 -7 10 46.40 2.08 3 -7 10 46.22 2.27 3 7 10 47.01 1.63 -3 7 -10 46.64 1.51 3 7 10 46.20 1.55 -3 7 -10 46.37 1.59 4 -7 10 23.09 1.26 4 7 10 21.64 0.92 -4 7 -10 23.05 0.96 -4 7 -10 22.44 0.90 4 7 10 23.48 0.99 5 -7 10 47.17 2.09 5 7 10 41.52 1.62 5 7 10 47.47 1.58 -5 7 -10 43.58 1.60 6 -7 10 48.74 2.16 6 7 10 45.70 1.64 -6 7 -10 45.35 1.66 6 7 10 44.96 1.71 7 7 10 -0.07 0.27 -7 7 -10 0.42 0.26 7 7 10 -0.01 0.25 8 -7 10 113.17 3.42 -8 -7 -10 112.94 5.06 -9 -7 -10 95.84 4.22 9 -7 10 87.86 2.88 9 -7 10 86.16 3.82 -9 -7 -10 89.53 3.02 9 -7 10 89.03 2.80 9 7 10 90.08 2.88 -10 -7 -10 1.90 0.46 10 -7 10 1.74 0.32 10 -7 10 1.26 0.38 -10 -7 -10 1.75 0.65 10 -7 10 1.95 0.62 10 7 10 1.27 0.35 10 7 10 1.84 0.40 11 -7 10 2.75 0.39 11 -7 10 2.68 0.45 11 -7 10 2.61 0.64 -11 -7 -10 3.18 0.51 -11 -7 -10 3.51 0.72 11 7 10 2.54 0.44 11 7 10 2.18 0.40 -12 -7 -10 33.91 1.34 12 -7 10 31.19 1.78 12 -7 10 34.48 1.29 12 -7 10 34.02 1.34 12 7 10 31.47 1.52 12 7 10 33.60 1.33 -13 -7 -10 3.05 0.38 13 -7 10 2.68 0.37 13 -7 10 3.70 0.44 13 -7 10 2.20 0.55 13 7 10 2.87 0.44 13 7 10 2.43 0.39 14 -7 10 8.18 0.78 14 -7 10 8.99 0.55 -14 -7 -10 8.42 0.48 14 -7 10 7.96 0.51 14 7 10 9.22 0.67 14 7 10 7.91 0.53 15 -8 -10 -0.26 0.22 -15 -8 10 0.03 0.16 15 -8 -10 -0.13 0.23 -14 -8 10 38.10 1.30 14 -8 -10 38.86 1.45 14 -8 -10 38.44 1.50 13 -8 -10 8.69 0.71 -13 -8 10 6.78 0.54 13 -8 -10 7.53 0.67 13 8 -10 8.41 0.71 -12 -8 10 1.89 0.36 12 -8 -10 1.17 0.43 12 -8 -10 1.71 0.45 12 8 -10 1.46 0.46 11 -8 -10 2.37 0.45 -11 -8 10 2.11 0.39 11 -8 -10 2.73 0.50 11 8 -10 1.60 0.47 10 -8 -10 59.42 2.12 -10 -8 10 56.86 2.00 10 -8 -10 59.05 2.13 10 8 -10 57.14 2.11 9 -8 -10 0.78 0.36 9 -8 -10 0.23 0.48 -9 -8 10 0.26 0.30 9 -8 -10 0.79 0.38 9 8 -10 0.14 0.36 -8 -8 10 6.95 1.26 8 -8 -10 7.89 0.92 -8 8 10 6.95 0.54 -7 -8 10 18.37 1.61 7 -8 -10 20.01 1.33 -7 8 10 19.05 0.82 7 8 -10 19.02 0.95 6 -8 -10 82.13 3.50 -6 -8 10 82.49 4.08 6 -8 -10 82.19 3.32 -6 8 10 82.17 2.56 6 8 -10 81.23 2.70 5 -8 -10 0.32 0.30 5 -8 -10 0.63 0.39 -5 -8 10 0.21 0.47 5 8 -10 0.44 0.24 -5 8 10 0.42 0.19 -4 -8 10 98.74 4.76 -4 8 10 106.43 3.11 4 8 -10 103.40 3.22 -3 -8 10 1.13 0.54 3 8 -10 1.65 0.28 -3 8 10 2.28 0.26 -2 -8 10 19.33 1.37 -2 8 10 18.63 0.76 2 8 -10 19.98 0.82 -1 -8 10 17.39 1.26 1 8 -10 17.38 0.74 -1 8 10 17.41 0.71 -1 8 10 17.18 0.68 0 -8 10 171.34 7.05 0 8 10 157.26 4.65 0 8 10 162.12 4.79 0 8 -10 162.99 4.79 1 -8 10 15.29 1.12 1 8 10 15.33 0.70 1 8 10 15.05 0.66 -1 8 -10 15.04 0.68 2 -8 10 2.57 0.50 2 -8 10 2.95 0.56 2 8 10 2.56 0.30 -2 8 -10 2.18 0.31 2 8 10 2.89 0.34 3 -8 10 9.37 0.83 3 -8 10 9.78 0.85 3 8 10 8.84 0.53 3 8 10 9.96 0.59 -3 8 -10 10.02 0.57 4 -8 10 129.52 4.76 4 -8 10 119.51 5.25 4 8 10 118.23 3.75 -4 8 -10 119.56 3.70 4 8 10 120.60 3.64 5 -8 10 1.23 0.45 5 8 10 0.47 0.26 5 8 10 0.26 0.27 -5 8 -10 1.32 0.29 6 -8 10 125.99 4.78 -6 8 -10 120.21 3.73 6 8 10 121.31 3.68 6 8 10 115.37 3.80 7 8 10 13.62 0.82 -7 8 -10 13.25 0.75 7 8 10 14.94 0.78 8 -8 10 76.75 2.34 -8 -8 -10 74.30 3.70 8 -8 10 72.83 3.35 8 -8 10 72.32 2.40 -8 -8 -10 72.26 2.60 8 8 10 72.54 2.41 9 -8 10 1.04 0.35 9 -8 10 1.02 0.58 -9 -8 -10 0.98 0.62 -9 -8 -10 1.80 0.50 9 -8 10 0.81 0.27 9 8 10 1.17 0.38 -10 -8 -10 95.79 4.22 10 -8 10 88.88 2.92 10 -8 10 89.38 2.85 -10 -8 -10 91.73 3.04 10 -8 10 90.35 3.91 10 8 10 88.94 2.88 11 -8 10 2.15 0.34 11 -8 10 1.21 0.55 -11 -8 -10 1.50 0.42 -11 -8 -10 2.30 0.66 11 -8 10 2.37 0.41 11 8 10 1.91 0.39 11 8 10 2.28 0.39 12 -8 10 1.50 0.35 -12 -8 -10 1.82 0.39 12 -8 10 2.08 0.34 12 -8 10 1.95 0.55 12 8 10 1.66 0.37 12 8 10 1.09 0.34 13 -8 10 0.37 0.27 -13 -8 -10 0.49 0.26 13 -8 10 0.73 0.27 13 -8 10 0.25 0.38 13 8 10 0.38 0.27 13 8 10 0.68 0.31 14 -8 10 49.61 2.19 14 -8 10 51.39 1.68 14 -8 10 50.83 1.64 -14 -8 -10 52.43 1.61 14 8 10 48.74 2.04 14 -9 -10 13.10 0.74 14 -9 -10 11.35 0.64 -14 -9 10 12.30 0.59 -13 -9 10 0.31 0.25 13 -9 -10 0.18 0.32 13 -9 -10 0.40 0.34 12 -9 -10 67.92 2.42 12 -9 -10 73.58 2.49 -12 -9 10 70.87 2.30 -11 -9 10 7.25 0.61 11 -9 -10 8.69 0.73 11 -9 -10 9.76 0.76 10 -9 -10 0.06 0.35 -10 -9 10 0.05 0.30 10 -9 -10 -0.20 0.29 -9 -9 10 2.80 0.44 9 -9 -10 3.32 0.50 9 -9 -10 3.22 0.73 9 -9 -10 3.56 0.48 8 -9 -10 63.49 2.10 -8 -9 10 58.14 2.10 -8 -9 10 55.44 1.93 8 -9 -10 57.37 2.07 8 -9 -10 66.07 2.91 7 -9 -10 0.09 0.47 -7 -9 10 0.56 0.78 7 9 -10 0.67 0.30 6 -9 -10 78.15 3.20 6 -9 -10 78.77 3.37 -6 9 10 75.82 2.41 6 9 -10 75.47 2.57 -5 -9 10 3.25 0.78 5 -9 -10 4.55 0.69 5 -9 -10 5.31 0.66 5 9 -10 5.70 0.50 -5 9 10 5.57 0.37 4 -9 -10 44.77 2.14 4 -9 -10 43.66 2.03 -4 -9 10 43.54 2.51 4 9 -10 42.63 1.56 -4 9 10 43.58 1.45 -3 -9 10 27.33 1.79 3 -9 -10 26.53 1.49 3 9 -10 26.40 1.05 -3 9 10 25.69 0.96 -2 -9 10 94.10 4.51 2 9 -10 96.23 2.97 -2 9 10 97.20 2.91 -1 -9 10 1.46 0.52 1 9 -10 1.02 0.23 -1 9 10 0.77 0.21 0 -9 10 17.55 1.28 0 9 10 16.88 0.70 0 9 10 17.56 0.75 0 9 -10 16.07 0.72 1 -9 10 3.78 0.67 -1 9 -10 3.81 0.36 1 9 10 3.72 0.35 1 9 10 3.03 0.36 2 -9 10 156.31 7.00 2 -9 10 167.17 6.16 -2 9 -10 166.28 4.83 2 9 10 164.45 4.89 2 9 10 162.74 4.73 3 -9 10 0.63 0.39 3 -9 10 0.56 0.41 -3 9 -10 0.04 0.20 3 9 10 0.33 0.25 3 9 10 0.12 0.20 4 -9 10 12.16 0.97 4 -9 10 12.37 0.99 4 9 10 12.08 0.70 -4 9 -10 10.69 0.63 4 9 10 12.02 0.65 5 -9 10 2.44 0.55 5 9 10 2.93 0.41 5 9 10 3.17 0.43 -5 9 -10 2.49 0.36 6 -9 10 41.05 2.03 6 9 10 43.03 1.52 6 9 10 38.37 1.58 -6 9 -10 39.33 1.48 -7 -9 -10 0.00 0.30 7 -9 10 -0.03 0.20 7 -9 10 0.23 0.45 7 -9 10 -0.07 0.27 -7 -9 -10 -0.78 0.55 -8 -9 -10 65.54 3.65 8 -9 10 73.84 2.30 -8 -9 -10 76.56 2.62 8 -9 10 71.90 2.36 8 -9 10 74.78 3.40 9 -9 10 2.45 0.40 9 -9 10 3.08 0.36 -9 -9 -10 1.59 0.72 -9 -9 -10 2.29 0.52 9 -9 10 1.98 0.67 -10 -9 -10 5.70 0.65 10 -9 10 5.67 0.48 -10 -9 -10 7.08 1.03 10 -9 10 4.95 0.50 10 -9 10 5.19 0.84 11 -9 10 0.28 0.25 11 -9 10 0.55 0.30 11 -9 10 0.84 0.52 -11 -9 -10 0.68 0.37 -11 -9 -10 0.59 0.49 11 9 10 0.26 0.26 -12 -9 -10 74.34 2.39 12 -9 10 73.92 2.34 12 -9 10 71.21 3.12 12 -9 10 75.60 2.34 12 9 10 67.99 2.81 13 -9 10 0.03 0.36 13 -9 10 -0.29 0.22 13 -9 10 0.22 0.23 -13 -9 -10 0.04 0.24 13 9 10 0.44 0.28 14 -9 10 2.54 0.45 -14 -9 -10 2.15 0.26 14 -9 10 1.82 0.27 -14 -10 10 37.19 1.22 14 -10 -10 35.29 1.35 -13 -10 10 7.52 0.52 13 -10 -10 9.45 0.60 13 -10 -10 8.02 0.65 -12 -10 10 6.90 0.54 12 -10 -10 6.82 0.59 12 -10 -10 5.15 0.57 11 -10 -10 3.37 0.48 11 -10 -10 2.38 0.47 -11 -10 10 2.36 0.40 10 -10 -10 126.08 4.06 -10 -10 10 130.26 3.97 10 -10 -10 137.06 4.15 -9 -10 10 0.70 0.35 9 -10 -10 1.04 0.36 -9 -10 10 0.97 0.26 -9 -10 10 1.02 0.34 9 -10 -10 0.76 0.57 9 -10 -10 0.98 0.38 8 -10 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0.10 0.54 10 -13 -10 0.50 1.00 -10 -13 10 1.15 0.24 9 -13 -10 53.51 2.81 -9 -13 10 54.90 1.89 -9 -13 10 51.89 1.74 9 -13 -10 48.04 4.09 9 -13 -10 50.42 1.83 8 -13 -10 0.97 0.24 -8 -13 10 1.39 0.28 8 -13 -10 0.75 1.10 8 -13 -10 0.72 0.54 -8 -13 10 0.93 0.33 7 -13 -10 2.76 0.32 7 -13 -10 2.46 0.67 -7 -13 10 3.57 0.45 7 -13 -10 2.03 1.14 -7 -13 10 3.12 0.36 7 -13 -10 3.17 0.61 -6 -13 10 0.23 0.21 6 -13 -10 0.74 0.59 -6 -13 10 0.62 0.29 6 -13 -10 -0.31 0.39 6 -13 -10 0.40 0.21 6 -13 -10 0.43 0.49 6 -13 -10 -0.25 0.83 5 -13 -10 82.08 2.39 5 -13 -10 83.73 3.51 5 -13 -10 79.30 3.68 5 -13 -10 83.20 5.35 -5 -13 10 81.24 2.62 5 -13 -10 84.40 3.92 -5 -13 10 72.96 3.92 -5 -13 10 83.11 2.55 4 -13 -10 3.43 0.82 4 -13 -10 4.15 0.68 -4 -13 10 2.49 0.95 4 -13 -10 4.56 0.64 4 -13 -10 4.73 0.37 4 -13 -10 5.28 1.27 -4 -13 10 4.05 0.43 4 -13 -10 6.10 0.86 -4 -13 10 4.72 0.39 -3 -13 10 3.71 0.34 3 -13 -10 5.03 0.89 -3 -13 10 3.59 0.97 -3 -13 10 3.63 0.39 3 -13 -10 4.04 1.10 3 -13 -10 3.62 0.34 3 -13 -10 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-5 -13 -10 140.44 8.04 5 -13 10 141.11 5.70 -5 -13 -10 146.05 6.29 5 -13 10 138.59 5.73 5 -13 10 142.20 3.89 -5 -13 -10 146.39 4.50 -5 -13 -10 142.74 4.51 -6 -13 -10 -0.48 0.58 -6 -13 -10 0.36 0.34 -6 -13 -10 0.04 0.36 6 -13 10 -0.03 0.39 6 -13 10 0.29 0.17 -6 -13 -10 -0.21 1.09 6 -13 10 0.94 0.60 -7 -13 -10 -0.08 0.34 -7 -13 -10 0.23 0.62 7 -13 10 0.01 0.15 -7 -13 -10 0.47 0.33 7 -13 10 0.68 0.56 8 -13 10 6.72 0.97 -8 -13 -10 5.76 0.63 8 -13 10 5.87 0.40 -8 -13 -10 3.96 1.12 -8 -13 -10 6.33 0.58 -8 -13 -10 5.68 1.06 8 -13 10 6.24 0.42 9 -13 10 72.14 2.38 -9 -13 -10 80.53 4.41 -9 -13 -10 76.57 2.55 -9 -13 -10 78.04 2.66 9 -13 10 81.03 3.49 -9 -13 -10 81.80 3.77 10 -13 10 0.90 0.23 -10 -13 -10 0.73 0.34 -10 -13 -10 1.15 0.35 10 -13 10 1.51 0.51 -11 -13 -10 10.39 0.62 -11 -13 -10 10.08 0.65 11 -13 10 8.23 0.81 11 -13 10 9.80 0.50 12 -13 10 0.42 0.32 -12 -13 -10 0.66 0.25 -12 -14 10 -0.20 0.21 -12 -14 10 0.24 0.22 11 -14 -10 32.82 2.63 -11 -14 10 30.41 1.14 -11 -14 10 30.34 1.19 10 -14 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1.11 -5 3 14 31.90 1.16 -5 3 14 30.13 1.17 5 3 -14 29.70 1.23 -4 -3 14 9.27 0.52 -4 3 14 9.58 0.55 -4 3 14 10.79 0.56 4 3 -14 9.41 0.62 -3 -3 14 326.95 9.26 3 3 -14 325.37 9.59 -3 3 14 333.08 9.53 -3 3 14 344.04 9.31 -2 -3 14 2.18 0.27 2 3 -14 2.16 0.33 -2 3 14 2.29 0.30 -2 3 14 2.45 0.30 -1 -3 14 25.61 0.96 1 3 -14 28.64 1.11 -1 3 14 27.16 1.01 -1 3 14 27.31 1.05 0 3 14 70.40 2.30 0 3 -14 72.73 2.25 0 3 -14 70.97 2.36 0 3 14 72.78 2.24 -1 -3 -14 91.64 2.86 1 3 14 90.25 2.92 1 3 14 98.11 2.85 -1 3 -14 97.01 2.87 -1 3 -14 91.92 2.98 -2 -3 -14 0.96 0.27 -2 3 -14 1.21 0.32 -2 3 -14 0.93 0.27 2 3 14 0.81 0.26 2 3 14 1.06 0.26 -3 -3 -14 42.39 1.53 3 3 14 45.28 1.54 -3 3 -14 45.36 1.58 -3 3 -14 45.55 1.68 3 3 14 43.09 1.60 -4 -3 -14 41.64 1.53 -4 3 -14 44.15 1.68 -4 3 -14 46.04 1.60 4 3 14 42.84 1.61 4 3 14 42.78 1.51 -5 -3 -14 51.33 1.80 -5 3 -14 50.77 1.84 -5 3 -14 53.27 1.95 5 3 14 54.35 1.79 5 3 14 50.59 1.88 -6 -3 -14 6.63 0.59 -6 3 -14 7.89 0.65 -6 3 -14 7.28 0.68 6 3 14 7.76 0.59 -7 3 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1.13 0.45 10 -4 -14 1.13 0.39 -10 -4 14 1.01 0.29 10 4 -14 0.42 0.42 9 -4 -14 29.62 1.34 -9 -4 14 28.43 1.15 9 -4 -14 28.81 1.36 9 4 -14 29.69 1.38 -8 -4 14 3.92 0.89 -8 4 14 5.02 0.50 -7 -4 14 75.99 3.79 -7 4 14 77.40 2.50 -7 4 14 78.09 2.57 -6 -4 14 19.31 1.35 -6 4 14 17.96 0.85 6 4 -14 15.67 0.88 -6 4 14 18.59 0.83 -5 -4 14 169.53 7.25 5 4 -14 162.98 5.10 -5 4 14 167.79 5.03 -5 4 14 172.66 4.91 -4 -4 14 27.45 1.63 -4 4 14 26.70 1.07 -4 4 14 28.30 1.05 4 4 -14 27.52 1.14 3 4 -14 4.27 0.44 -3 4 14 4.81 0.42 -3 4 14 4.70 0.40 -2 4 14 35.46 1.29 -2 4 14 35.25 1.24 2 4 -14 36.64 1.36 1 4 -14 320.90 9.58 -1 4 14 329.93 9.53 -1 4 14 345.73 9.30 0 4 14 0.41 0.21 0 4 14 0.26 0.21 0 4 -14 0.36 0.24 -1 4 -14 39.77 1.41 -1 4 -14 38.81 1.49 1 4 14 42.70 1.41 1 4 14 39.92 1.45 -2 4 -14 3.05 0.36 2 4 14 3.15 0.36 -2 4 -14 2.95 0.41 2 4 14 2.52 0.36 -3 4 -14 89.86 2.99 -3 4 -14 94.07 2.87 3 4 14 91.55 2.83 3 4 14 90.47 2.93 4 4 14 20.78 0.88 4 4 14 18.96 0.93 -4 4 -14 19.24 0.89 -4 4 -14 17.73 0.95 -5 4 -14 139.29 4.18 5 4 14 135.91 4.27 -5 4 -14 134.47 4.32 5 4 14 138.41 4.11 6 4 14 12.57 0.71 -6 4 -14 13.32 0.76 -6 4 -14 11.22 0.78 -7 -4 -14 4.90 0.79 7 4 14 3.92 0.48 -7 4 -14 3.91 0.51 -8 -4 -14 0.90 0.47 8 -4 14 -0.22 0.28 8 -4 14 0.49 0.23 -8 -4 -14 0.40 0.43 8 4 14 0.22 0.33 9 -4 14 63.86 2.09 -9 -4 -14 62.63 2.99 9 -4 14 61.28 2.20 -9 -4 -14 60.25 2.23 9 4 14 60.47 2.14 10 -4 14 0.85 0.28 -10 -4 -14 0.35 0.37 -10 -4 -14 1.55 0.53 10 -4 14 0.31 0.33 10 4 14 1.08 0.38 11 -4 14 5.03 0.48 11 -4 14 4.57 0.56 -11 -4 -14 4.74 0.77 -11 -4 -14 5.32 0.54 11 4 14 5.90 0.58 12 -4 14 17.59 0.92 -12 -4 -14 16.07 0.79 12 -4 14 16.36 0.81 -12 -4 -14 15.97 1.20 12 4 14 18.25 0.89 13 -4 14 52.61 1.84 -13 -4 -14 51.39 2.43 13 -4 14 50.70 1.76 13 4 14 52.77 1.77 14 -4 14 0.32 0.26 14 4 14 0.53 0.25 -14 4 -14 0.54 0.33 15 -5 -14 3.52 0.41 15 5 -14 2.22 0.38 14 -5 -14 1.49 0.37 14 -5 -14 1.66 0.39 -14 -5 14 1.64 0.25 14 5 -14 1.08 0.41 13 -5 -14 76.93 2.67 13 -5 -14 77.00 2.70 -13 -5 14 76.77 2.37 13 5 -14 79.07 2.68 12 -5 -14 0.93 0.39 -12 -5 14 1.40 0.31 12 -5 -14 1.80 0.47 12 5 -14 0.84 0.44 11 -5 -14 20.98 1.11 -11 -5 14 19.54 0.90 11 -5 -14 18.91 1.10 11 5 -14 19.24 1.12 10 -5 -14 7.35 0.73 -10 -5 14 7.36 0.58 10 -5 -14 5.99 0.66 10 5 -14 6.67 0.71 -9 -5 14 68.13 2.19 9 -5 -14 65.95 2.40 9 -5 -14 67.89 2.45 9 5 -14 65.26 2.39 8 -5 -14 8.02 0.70 -8 -5 14 8.61 1.20 8 -5 -14 7.66 0.90 -7 -5 14 76.81 3.87 -7 5 14 80.91 2.60 -7 5 14 76.28 2.51 -6 -5 14 7.50 1.00 -6 5 14 6.86 0.54 6 5 -14 6.24 0.59 -6 5 14 6.16 0.49 -5 -5 14 69.68 3.49 -5 5 14 74.55 2.36 5 5 -14 69.77 2.43 -5 5 14 73.31 2.29 -4 -5 14 5.44 0.82 4 5 -14 3.99 0.45 -4 5 14 5.63 0.45 -4 5 14 4.73 0.40 -3 -5 14 191.41 8.57 -3 5 14 210.30 5.82 3 5 -14 195.91 6.03 -3 5 14 215.04 5.98 -2 5 14 22.23 0.88 2 5 -14 21.97 0.97 -2 5 14 22.42 0.92 -1 5 14 7.22 0.45 -1 5 14 6.76 0.47 1 5 -14 6.72 0.55 0 5 14 11.53 0.58 0 5 14 10.57 0.58 0 5 -14 10.77 0.64 1 5 14 268.47 7.85 1 5 14 272.44 7.65 -1 5 -14 271.78 7.90 -1 5 -14 268.32 7.64 2 5 14 3.43 0.38 2 5 14 2.93 0.39 -2 5 -14 3.41 0.43 -2 5 -14 2.65 0.35 3 5 14 68.26 2.20 3 5 14 66.29 2.28 -3 5 -14 69.84 2.33 -3 5 -14 65.80 2.20 4 5 14 4.16 0.44 4 5 14 4.48 0.50 -4 5 -14 3.15 0.42 -4 5 -14 4.30 0.51 -5 5 -14 27.98 1.24 -5 5 -14 25.97 1.15 5 5 14 28.77 1.23 5 5 14 27.96 1.14 -6 5 -14 1.02 0.36 -6 5 -14 -0.02 0.27 6 5 14 -0.10 0.28 6 5 14 0.02 0.32 -7 -5 -14 137.09 5.66 7 -5 14 129.57 3.98 -8 -5 -14 8.63 0.79 8 -5 14 8.22 0.55 8 -5 14 7.52 0.65 -8 -5 -14 8.45 0.99 8 5 14 7.41 0.63 9 -5 14 0.62 0.26 -9 -5 -14 0.71 0.49 -9 -5 -14 0.47 0.40 9 -5 14 1.12 0.37 9 5 14 1.27 0.37 10 -5 14 33.62 1.38 -10 -5 -14 31.55 1.88 10 -5 14 31.49 1.27 -10 -5 -14 32.80 1.41 10 5 14 33.64 1.35 11 -5 14 49.01 1.88 -11 -5 -14 49.63 2.56 11 -5 14 52.95 1.81 -11 -5 -14 50.94 1.85 11 5 14 55.65 1.87 12 -5 14 1.39 0.37 12 -5 14 2.13 0.34 -12 -5 -14 2.10 0.57 -12 -5 -14 1.79 0.35 12 5 14 2.16 0.39 -13 -5 -14 10.14 0.52 -13 -5 -14 9.45 0.87 13 -5 14 9.88 0.63 13 -5 14 10.40 0.59 13 5 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2.81 0.38 -2 6 14 9.83 0.56 2 6 -14 9.61 0.61 -2 6 14 9.44 0.51 -1 6 14 71.01 2.22 1 6 -14 65.53 2.24 -1 6 14 65.96 2.12 0 6 14 9.04 0.56 0 6 -14 9.03 0.59 0 6 14 8.80 0.53 -1 6 -14 8.34 0.52 -1 6 -14 9.30 0.60 1 6 14 8.93 0.53 1 6 14 9.11 0.57 -2 6 -14 61.16 2.03 -2 6 -14 61.52 2.14 2 6 14 63.98 2.05 2 6 14 62.90 2.12 3 6 14 52.29 1.85 -3 6 -14 49.98 1.76 3 6 14 52.26 1.77 -3 6 -14 51.60 1.88 -4 6 -14 10.74 0.69 4 6 14 9.13 0.61 4 6 14 9.26 0.65 -4 6 -14 8.98 0.60 5 6 14 55.97 2.02 -5 6 -14 54.01 2.01 -5 6 -14 54.82 1.94 5 6 14 55.15 1.92 6 6 14 22.45 1.01 -6 6 -14 20.00 1.05 -6 6 -14 20.65 1.01 6 6 14 21.42 1.08 -7 -6 -14 4.85 0.89 -7 -6 -14 4.48 0.66 7 -6 14 3.67 0.39 7 -6 14 3.65 0.47 7 6 14 4.02 0.49 -8 -6 -14 80.12 2.86 -8 -6 -14 84.28 3.86 8 -6 14 82.53 2.63 8 -6 14 83.46 2.74 8 6 14 82.81 2.68 9 -6 14 56.71 1.94 -9 -6 -14 57.18 2.15 9 -6 14 55.33 2.03 -9 -6 -14 57.66 2.88 9 6 14 57.78 2.00 -10 -6 -14 12.39 1.15 -10 -6 -14 12.32 0.87 10 -6 14 12.63 0.70 10 -6 14 12.23 0.76 10 6 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52.62 1.96 -7 -7 14 48.03 2.88 -6 7 14 56.66 1.91 -6 7 14 59.43 1.99 6 7 -14 55.77 2.08 -5 -7 14 1.03 0.60 5 7 -14 1.82 0.37 -5 7 14 1.53 0.28 -5 7 14 1.51 0.28 -4 -7 14 26.32 1.86 4 7 -14 28.56 1.20 -4 7 14 30.93 1.15 -4 7 14 28.38 1.09 -3 -7 14 29.55 1.88 -3 7 14 30.14 1.16 3 7 -14 30.63 1.23 -3 7 14 29.62 1.10 -2 7 14 55.92 1.87 2 7 -14 59.19 2.02 -2 7 14 60.01 1.96 -1 7 14 0.05 0.19 -1 7 14 0.35 0.22 1 7 -14 -0.10 0.20 0 7 -14 71.44 2.40 0 7 14 70.51 2.28 0 7 14 75.75 2.39 -1 7 -14 64.97 2.06 1 7 14 65.45 2.08 -1 7 -14 63.49 2.17 1 7 14 61.49 2.15 -2 7 -14 15.01 0.73 2 7 14 15.29 0.79 2 7 14 14.63 0.74 -2 7 -14 14.83 0.79 3 7 14 62.23 2.12 -3 7 -14 62.53 2.12 3 7 14 66.70 2.24 -3 7 -14 66.34 2.25 4 7 14 123.01 3.61 -4 7 -14 114.14 3.72 -4 7 -14 115.71 3.59 4 7 14 114.24 3.72 -5 7 -14 17.33 0.88 5 7 14 17.01 0.88 5 7 14 17.90 0.94 -5 7 -14 16.15 0.90 -6 -7 -14 1.01 0.62 6 -7 14 0.76 0.25 -6 7 -14 1.30 0.37 7 -7 14 36.14 1.42 7 -7 14 38.16 1.34 -7 -7 -14 37.83 2.25 -7 -7 -14 34.71 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22.34 1.35 -6 -2 21 22.81 0.99 6 2 -21 22.95 1.31 -6 2 21 22.41 0.95 5 -2 -21 6.68 0.84 -5 -2 21 6.31 0.55 -5 2 21 5.91 0.51 5 2 -21 5.38 0.75 4 -2 -21 128.12 4.25 -4 -2 21 127.52 3.83 -4 2 21 124.73 3.79 4 2 -21 131.56 4.19 3 -2 -21 58.24 2.35 -3 -2 21 59.63 2.00 3 2 -21 61.47 2.32 -3 2 21 59.31 1.98 -2 -2 21 1.87 0.37 2 -2 -21 1.34 0.61 -2 2 21 1.68 0.36 2 2 -21 1.46 0.55 1 -2 -21 16.88 1.25 -1 -2 21 15.28 0.83 -1 2 21 17.52 0.84 1 2 -21 13.97 1.11 0 -2 -21 85.59 3.03 0 -2 -21 87.12 3.16 0 -2 21 83.21 2.71 0 2 -21 84.25 3.05 0 2 -21 84.72 2.94 0 2 21 88.13 2.74 1 -2 21 17.37 0.91 -1 -2 -21 19.95 1.21 -1 -2 -21 21.78 1.38 -1 2 -21 19.65 1.13 1 2 21 19.08 0.94 -2 -2 -21 2.26 0.58 2 -2 21 2.38 0.44 2 2 21 2.76 0.44 -2 2 -21 1.66 0.52 -3 -2 -21 66.41 2.53 3 -2 21 63.32 2.23 -3 2 -21 69.78 2.43 3 2 21 66.32 2.24 4 -2 21 19.44 1.00 -4 -2 -21 23.59 1.27 4 2 21 20.24 1.00 -4 2 -21 19.02 1.09 5 -2 21 0.86 0.37 -5 -2 -21 2.23 0.54 5 2 21 0.74 0.35 -6 -2 -21 19.68 1.38 6 -2 21 18.25 0.98 -6 -2 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1.42 0.44 9 -5 -21 2.75 0.52 -9 -5 21 1.99 0.35 9 5 -21 1.79 0.51 -8 -5 21 90.68 4.11 8 -5 -21 86.15 3.06 -8 -5 21 89.28 2.79 8 -5 -21 86.86 3.10 8 5 -21 93.88 3.09 7 -5 -21 0.18 0.40 -7 -5 21 -0.11 0.27 7 -5 -21 0.34 0.36 -7 -5 21 -0.31 0.56 7 5 -21 0.27 0.44 6 -5 -21 28.92 1.37 6 -5 -21 29.04 1.41 -6 -5 21 27.76 1.14 -6 -5 21 25.83 1.78 6 5 -21 27.12 1.40 -5 -5 21 1.75 0.63 -5 -5 21 1.47 0.34 5 -5 -21 0.90 0.47 5 -5 -21 1.01 0.42 5 5 -21 1.47 0.53 4 -5 -21 54.44 2.14 -4 -5 21 56.83 2.80 4 -5 -21 53.77 2.19 -4 -5 21 56.73 1.92 4 5 -21 56.80 2.19 3 -5 -21 1.07 0.47 -3 -5 21 0.55 0.30 3 -5 -21 0.02 0.39 -3 -5 21 0.71 0.55 3 5 -21 0.23 0.48 -2 -5 21 64.13 2.23 2 -5 -21 67.18 2.66 2 -5 -21 68.55 2.58 2 -5 -21 67.57 2.49 -2 -5 21 71.76 3.20 2 5 -21 71.58 2.57 -1 -5 21 0.55 0.32 1 -5 -21 0.16 0.58 1 5 -21 0.80 0.49 1 5 -21 0.13 0.53 0 -5 -21 1.07 0.61 0 -5 21 0.63 0.34 0 -5 21 0.90 0.26 0 -5 -21 0.32 0.52 0 5 21 0.48 0.31 1 -5 21 6.09 0.60 -1 -5 -21 4.95 0.77 1 -5 21 6.36 0.49 1 5 21 6.61 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12.71 0.76 -11 -7 21 10.61 1.03 -11 -7 21 11.61 0.58 -10 -7 21 1.56 0.30 10 -7 -21 0.44 0.34 -10 -7 21 -0.21 0.55 10 -7 -21 0.84 0.38 -9 -7 21 52.61 2.80 9 -7 -21 53.32 2.05 -9 -7 21 57.53 1.85 9 -7 -21 55.43 2.07 8 -7 -21 12.78 0.91 8 -7 -21 12.90 0.87 -8 -7 21 14.83 1.47 -8 -7 21 12.93 0.72 7 -7 -21 1.71 0.45 7 -7 -21 1.78 0.49 -7 -7 21 0.32 0.66 -7 -7 21 0.39 0.29 6 -7 -21 21.54 1.16 6 -7 -21 19.27 1.15 -6 -7 21 20.57 0.95 -6 -7 21 21.44 1.60 5 -7 -21 16.10 1.08 -5 -7 21 17.97 0.89 5 -7 -21 20.07 1.10 -5 -7 21 21.02 1.55 4 -7 -21 2.70 0.52 -4 -7 21 3.58 0.44 -4 -7 21 2.78 0.73 4 -7 -21 1.71 0.50 -3 -7 21 1.03 0.25 -3 -7 21 1.08 0.36 3 -7 -21 0.88 0.43 -3 -7 21 0.94 0.34 -3 -7 21 0.55 0.58 3 -7 -21 1.11 0.50 -2 -7 21 24.63 1.11 -2 -7 21 24.19 0.96 -2 -7 21 24.43 1.67 2 -7 -21 24.75 1.27 2 -7 -21 23.82 1.31 -1 -7 21 47.20 1.62 1 -7 -21 48.21 2.02 -1 -7 21 49.03 2.51 -1 -7 21 49.04 1.78 1 -7 -21 45.65 1.92 0 -7 21 2.86 0.34 0 -7 -21 2.55 0.53 0 -7 -21 2.65 0.59 0 -7 21 3.02 0.46 -1 -7 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1.97 4 -1 22 47.59 1.79 -4 1 -22 51.38 1.93 4 1 22 49.70 1.80 -5 -1 -22 18.28 1.08 5 -1 22 18.76 0.98 -5 1 -22 19.88 1.06 5 1 22 18.37 0.96 -6 -1 -22 7.47 0.72 6 -1 22 7.79 0.65 6 1 22 7.48 0.63 7 -1 22 0.54 0.35 -7 -1 -22 0.73 0.38 -7 -1 -22 0.96 0.52 -7 1 -22 0.65 0.48 7 1 22 0.52 0.35 8 -1 22 52.01 1.81 -8 -1 -22 51.18 1.77 -8 -1 -22 49.41 2.48 8 1 22 49.88 1.79 -8 1 -22 52.84 2.47 -9 -1 -22 3.86 0.65 9 -1 22 4.11 0.47 -9 1 -22 3.58 0.63 9 1 22 4.66 0.48 10 -1 22 0.42 0.29 -10 -1 -22 0.82 0.43 -10 1 -22 0.51 0.40 10 1 22 0.95 0.31 -11 -1 -22 3.74 0.54 11 -1 22 3.42 0.38 -11 1 -22 2.94 0.48 11 1 22 3.18 0.35 -12 -2 22 0.23 0.48 12 -2 -22 0.50 0.41 12 -2 -22 0.32 0.34 12 2 -22 0.85 0.40 11 -2 -22 16.04 1.02 11 2 -22 15.64 0.98 -10 -2 22 16.64 0.74 10 -2 -22 15.70 1.07 10 2 -22 17.76 1.07 -9 -2 22 7.69 0.53 9 -2 -22 8.35 0.87 9 2 -22 6.19 0.76 8 -2 -22 24.59 1.39 -8 -2 22 23.80 1.00 8 2 -22 24.22 1.34 -7 -2 22 68.96 2.23 7 -2 -22 67.74 2.63 7 2 -22 68.13 2.58 -6 -2 22 15.22 0.79 6 -2 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8 -3 22 15.77 0.89 8 3 22 16.39 0.83 -8 3 -22 17.74 1.17 -9 -3 -22 21.72 1.38 -9 -3 -22 22.23 0.94 9 -3 22 21.84 0.99 9 -3 22 22.43 1.03 9 3 22 21.90 0.95 -9 3 -22 22.85 1.34 10 -3 22 3.95 0.43 10 -3 22 3.02 0.41 -10 -3 -22 2.86 0.56 10 3 22 2.98 0.36 -10 3 -22 2.66 0.51 -11 -3 -22 37.96 1.87 11 3 22 41.71 1.32 12 -4 -22 1.11 0.44 -12 -4 22 0.71 0.48 12 -4 -22 1.02 0.35 12 4 -22 0.76 0.36 11 -4 -22 40.51 1.68 -11 -4 22 40.56 1.33 -11 -4 22 41.01 2.10 11 -4 -22 40.73 1.60 11 4 -22 39.34 1.58 10 -4 -22 0.21 0.36 -10 -4 22 1.01 0.63 -10 -4 22 0.50 0.26 10 -4 -22 0.63 0.49 10 4 -22 -0.08 0.38 9 -4 -22 0.04 0.38 -9 -4 22 0.23 0.25 -9 -4 22 0.36 0.60 9 -4 -22 0.45 0.49 9 4 -22 -0.64 0.39 -8 -4 22 1.74 0.34 8 -4 -22 1.62 0.59 8 -4 -22 2.22 0.51 -8 -4 22 1.93 0.74 8 4 -22 0.95 0.49 7 -4 -22 45.11 2.02 -7 -4 22 46.54 1.65 7 -4 -22 44.62 1.91 7 4 -22 49.51 1.97 -6 -4 22 4.73 0.87 6 -4 -22 5.52 0.79 6 -4 -22 4.15 0.65 -6 -4 22 4.55 0.48 6 4 -22 4.12 0.67 -5 -4 22 14.33 1.29 5 -4 -22 12.46 1.11 -5 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2.81 8 -4 22 0.25 0.34 -8 -4 -22 0.64 0.46 -8 -4 -22 0.70 0.37 8 -4 22 0.21 0.33 8 4 22 0.63 0.30 9 -4 22 41.26 1.49 9 -4 22 39.73 1.53 -9 -4 -22 40.75 1.47 -9 -4 -22 38.92 2.07 -9 4 -22 42.18 2.01 9 4 22 42.88 1.45 10 -4 22 7.24 0.52 -10 -4 -22 5.94 0.72 10 -4 22 7.43 0.53 -10 -4 -22 6.28 0.44 -10 4 -22 7.53 0.72 10 4 22 6.28 0.46 12 -5 -22 4.73 0.49 -11 -5 22 10.57 1.02 -11 -5 22 11.09 0.55 11 -5 -22 11.57 0.75 11 5 -22 8.94 0.71 -10 -5 22 0.03 0.56 -10 -5 22 0.37 0.25 10 -5 -22 0.22 0.34 10 -5 -22 0.26 0.35 10 5 -22 0.40 0.39 9 -5 -22 68.56 2.55 -9 -5 22 73.79 3.41 9 -5 -22 68.76 2.50 -9 -5 22 74.34 2.28 9 5 -22 71.90 2.52 -8 -5 22 0.40 0.63 8 -5 -22 0.05 0.39 -8 -5 22 0.48 0.30 8 -5 -22 0.60 0.39 8 5 -22 0.67 0.44 -7 -5 22 5.59 0.52 7 -5 -22 4.23 0.62 7 -5 -22 4.69 0.62 -7 -5 22 6.10 0.99 7 5 -22 5.17 0.69 -6 -5 22 1.54 0.35 6 -5 -22 1.12 0.44 -6 -5 22 1.34 0.64 6 -5 -22 -0.16 0.40 6 5 -22 1.29 0.47 5 -5 -22 75.55 2.74 -5 -5 22 75.38 2.47 5 -5 -22 76.20 2.80 -5 -5 22 77.44 3.56 5 5 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40.98 1.56 -7 -5 -22 39.63 2.13 7 -5 22 37.96 1.41 -7 -5 -22 37.70 1.61 7 5 22 41.31 1.45 8 -5 22 12.52 0.75 8 -5 22 12.85 0.66 -8 -5 -22 11.66 0.78 -8 -5 -22 11.95 1.07 8 5 22 12.89 0.69 -9 -5 -22 23.23 1.43 -9 -5 -22 24.28 1.02 9 -5 22 24.30 1.04 9 5 22 23.51 0.94 -10 -5 -22 1.45 0.45 10 -5 22 0.65 0.28 -10 -5 -22 1.05 0.25 10 5 22 0.70 0.24 -10 5 -22 1.33 0.40 12 -6 -22 0.56 0.30 -11 -6 22 31.96 1.75 11 -6 -22 32.71 1.33 -11 -6 22 33.03 1.12 11 -6 -22 30.70 1.28 10 -6 -22 7.76 0.67 10 -6 -22 8.84 0.74 -10 -6 22 10.45 0.57 -10 -6 22 8.56 1.03 10 6 -22 8.18 0.68 -9 -6 22 -0.10 0.60 9 -6 -22 -0.43 0.33 -9 -6 22 0.42 0.27 9 -6 -22 0.44 0.35 9 6 -22 0.40 0.39 8 -6 -22 1.50 0.47 -8 -6 22 1.46 0.70 8 -6 -22 1.00 0.40 -8 -6 22 2.15 0.36 8 6 -22 1.72 0.48 -7 -6 22 31.11 1.24 -7 -6 22 32.72 2.01 7 -6 -22 30.85 1.49 7 -6 -22 33.48 1.48 7 6 -22 32.84 1.45 -6 -6 22 5.47 0.91 6 -6 -22 5.11 0.67 6 -6 -22 5.52 0.67 -6 -6 22 5.46 0.52 6 6 -22 5.34 0.68 5 -6 -22 18.19 1.05 5 -6 -22 18.44 1.10 -5 -6 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1.35 0.30 4 -8 -28 0.82 0.43 -4 -8 28 1.29 0.47 4 -8 -28 1.70 0.40 3 -8 -28 7.77 0.68 -3 -8 28 9.11 0.56 3 -8 -28 8.58 0.75 2 -8 -28 47.02 1.78 -2 -8 28 47.53 1.58 -2 -8 28 45.84 1.63 1 -8 -28 0.05 0.35 -1 -8 28 0.11 0.27 -1 -8 28 0.53 0.29 1 -8 -28 0.04 0.40 0 -8 -28 14.87 0.88 0 -8 -28 13.58 0.84 0 -8 28 13.90 0.72 1 -8 28 3.55 0.39 1 -8 28 3.85 0.40 -1 -8 -28 3.08 0.49 2 -8 28 26.97 1.03 3 -8 28 1.47 0.28 -3 -8 -28 1.84 0.38 -4 -9 28 75.30 2.29 -3 -9 28 0.62 0.26 3 -9 -28 0.94 0.36 -3 -9 28 0.58 0.27 -2 -9 28 6.23 0.48 2 -9 -28 6.84 0.66 -2 -9 28 7.04 0.50 2 -9 -28 6.07 0.58 1 -9 -28 0.14 0.38 -1 -9 28 0.07 0.27 1 -9 -28 1.00 0.36 -1 -9 28 0.31 0.26 0 -9 28 30.75 1.13 1 -9 28 -0.43 0.22 -1 -9 -28 0.21 0.32 -1 -9 -28 0.31 0.32 2 -9 28 33.39 1.19 -2 -9 -28 33.46 1.30 2 -10 -28 37.90 1.41 -1 -10 28 3.38 0.35 1 -10 -28 3.44 0.44 0 -10 28 10.45 0.56 7 0 -29 28.48 1.18 7 0 -29 29.32 1.25 6 0 -29 0.67 0.42 6 0 -29 0.06 0.34 5 0 -29 22.32 1.08 4 0 -29 -0.22 0.35 -4 0 29 0.03 0.24 3 0 -29 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0.36 4 1 29 3.26 0.34 5 -1 29 22.55 0.86 5 1 29 22.75 0.84 7 -2 -29 12.74 0.84 7 -2 -29 13.16 0.79 6 -2 -29 32.01 1.42 -6 -2 29 32.61 1.10 6 -2 -29 33.23 1.36 6 2 -29 31.95 1.24 5 -2 -29 9.23 0.84 -5 -2 29 10.75 0.55 5 -2 -29 9.39 0.77 5 2 -29 9.01 0.66 -4 -2 29 4.86 0.43 4 -2 -29 3.14 0.54 4 2 -29 4.53 0.52 3 -2 -29 32.40 1.43 -3 -2 29 32.81 1.21 3 2 -29 33.24 1.33 2 -2 -29 28.97 1.31 -2 -2 29 28.56 1.11 2 2 -29 26.31 1.17 1 -2 -29 -0.22 0.37 -1 -2 29 -0.08 0.27 0 -2 29 13.74 0.74 0 -2 -29 14.15 0.90 0 2 29 16.07 0.69 1 -2 29 21.45 0.92 -1 -2 -29 22.62 1.07 1 2 29 20.82 0.84 2 -2 29 6.86 0.52 -2 -2 -29 7.26 0.60 2 2 29 7.21 0.47 -3 -2 -29 2.29 0.39 3 -2 29 2.62 0.35 3 2 29 2.54 0.31 -4 -2 -29 30.30 1.12 4 -2 29 31.42 1.12 4 2 29 31.21 1.06 5 -2 29 29.28 1.05 7 -3 -29 3.09 0.53 7 -3 -29 3.55 0.49 6 -3 -29 0.50 0.44 6 -3 -29 0.70 0.39 -6 -3 29 0.94 0.25 -5 -3 29 3.69 0.38 5 -3 -29 4.99 0.59 4 -3 -29 37.69 1.56 -4 -3 29 37.94 1.32 3 -3 -29 1.70 0.48 -3 -3 29 0.71 0.30 -2 -3 29 6.01 0.50 2 -3 -29 6.13 0.67 -1 -3 29 19.09 0.85 1 -3 -29 15.50 0.99 0 -3 29 15.88 0.78 0 -3 -29 14.49 0.92 -1 -3 -29 0.13 0.37 1 -3 29 0.75 0.30 2 -3 29 17.45 0.81 -2 -3 -29 18.22 0.92 -3 -3 -29 7.26 0.58 3 -3 29 7.68 0.52 4 -3 29 3.12 0.35 -4 -3 -29 2.71 0.36 5 -3 29 8.10 0.49 -6 -4 29 47.99 1.53 6 -4 -29 47.83 1.76 6 -4 -29 48.53 1.83 5 -4 -29 1.26 0.41 -5 -4 29 1.34 0.28 -4 -4 29 7.95 0.52 4 -4 -29 7.79 0.72 3 -4 -29 0.39 0.42 -3 -4 29 -0.02 0.27 2 -4 -29 50.96 1.95 -2 -4 29 52.12 1.74 -1 -4 29 0.11 0.29 1 -4 -29 0.25 0.43 0 -4 29 30.58 1.19 0 -4 -29 32.85 1.40 -1 -4 -29 2.40 0.47 1 -4 29 1.62 0.35 -2 -4 -29 5.66 0.57 2 -4 29 5.64 0.48 3 -4 29 0.31 0.25 -3 -4 -29 0.29 0.30 -4 -4 -29 59.39 1.94 4 -4 29 61.38 1.90 -6 -5 29 1.69 0.27 6 -5 -29 1.33 0.41 -5 -5 29 0.91 0.28 5 -5 -29 1.89 0.45 4 -5 -29 49.98 1.87 -4 -5 29 50.77 1.65 -3 -5 29 0.82 0.30 3 -5 -29 0.54 0.41 -2 -5 29 16.87 0.80 2 -5 -29 17.86 1.01 1 -5 -29 0.71 0.42 -1 -5 29 1.00 0.31 0 -5 29 25.95 1.05 0 -5 -29 26.63 1.23 1 -5 29 -0.23 0.27 -1 -5 -29 -0.53 0.33 2 -5 29 47.56 1.58 -2 -5 -29 45.38 1.68 3 -5 29 1.87 0.32 -3 -5 -29 2.52 0.40 -4 -5 -29 0.81 0.29 4 -5 29 0.47 0.25 -5 -6 29 20.68 0.82 5 -6 -29 19.61 0.99 4 -6 -29 5.94 0.61 4 -6 -29 6.68 0.63 -4 -6 29 5.83 0.46 -3 -6 29 29.00 1.10 2 -6 -29 13.91 0.88 -2 -6 29 12.76 0.67 -1 -6 29 0.54 0.29 1 -6 -29 -0.20 0.37 0 -6 29 25.45 0.99 0 -6 -29 22.49 1.13 -1 -6 -29 28.63 1.24 1 -6 29 29.97 1.12 -2 -6 -29 10.64 0.72 2 -6 29 11.22 0.61 2 -6 29 11.98 0.65 -3 -6 -29 2.03 0.37 3 -6 29 1.57 0.30 -4 -7 29 34.88 1.21 3 -7 -29 8.41 0.67 -3 -7 29 8.09 0.52 3 -7 -29 8.50 0.71 2 -7 -29 8.47 0.72 -2 -7 29 8.60 0.55 2 -7 -29 8.98 0.71 0 -7 -29 6.58 0.63 0 -7 29 6.21 0.51 0 -7 29 5.96 0.48 1 -7 29 3.02 0.39 -1 -7 -29 3.55 0.47 1 -7 29 3.44 0.38 2 -7 29 14.77 0.71 -2 -7 -29 16.02 0.82 2 -7 29 16.01 0.71 -2 -8 29 0.47 0.25 -1 -8 29 2.43 0.33 1 -8 -29 2.38 0.43 0 -8 -29 1.64 0.39 5 0 -30 -0.04 0.31 4 0 -30 21.43 1.00 -3 0 30 0.06 0.23 3 0 -30 -0.67 0.30 -2 0 30 26.53 0.97 2 0 -30 27.21 1.15 -1 0 30 -0.19 0.23 1 0 -30 -0.56 0.30 0 0 -30 52.14 1.80 0 0 30 54.90 1.71 1 0 30 -0.12 0.22 2 0 30 9.09 0.51 3 0 30 0.08 0.21 6 -1 -30 4.06 0.47 5 -1 -30 8.90 0.66 5 1 -30 8.30 0.60 4 -1 -30 38.27 1.46 -4 -1 30 37.50 1.24 4 1 -30 37.64 1.40 3 -1 -30 0.05 0.36 -3 -1 30 0.13 0.23 3 1 -30 -0.26 0.32 -2 -1 30 51.98 1.66 2 -1 -30 51.55 1.85 2 1 -30 50.69 1.76 1 -1 -30 6.94 0.61 -1 -1 30 7.93 0.51 1 1 -30 7.23 0.56 -1 1 30 8.31 0.46 0 -1 30 10.74 0.60 0 -1 -30 12.85 0.73 0 1 30 11.20 0.56 1 -1 30 0.01 0.24 -1 -1 -30 0.30 0.30 1 1 30 -0.14 0.21 -2 -1 -30 27.61 1.05 2 -1 30 29.05 1.03 2 1 30 27.19 0.98 3 -1 30 0.60 0.23 3 1 30 0.52 0.22 4 -1 30 1.67 0.26 6 -2 -30 24.95 1.07 5 -2 -30 5.63 0.55 4 -2 -30 9.34 0.72 -4 -2 30 10.06 0.53 -3 -2 30 27.79 1.02 3 -2 -30 27.88 1.22 -2 -2 30 5.08 0.44 2 -2 -30 5.03 0.57 1 -2 -30 0.43 0.35 -1 -2 30 0.68 0.27 0 -2 30 31.54 1.14 0 -2 -30 31.07 1.27 1 -2 30 20.08 0.82 -1 -2 -30 19.20 0.91 2 -2 30 1.62 0.30 -2 -2 -30 1.44 0.33 3 -2 30 7.33 0.47 4 -2 30 44.04 1.42 5 -3 -30 36.55 1.42 -4 -3 30 9.08 0.51 4 -3 -30 8.01 0.68 -3 -3 30 0.12 0.24 3 -3 -30 0.60 0.38 2 -3 -30 10.22 0.77 -2 -3 30 10.81 0.59 1 -3 -30 56.88 2.02 -1 -3 30 58.36 1.86 0 -3 30 1.35 0.30 0 -3 -30 1.23 0.38 1 -3 30 16.92 0.76 -1 -3 -30 17.40 0.87 -2 -3 -30 13.17 0.72 2 -3 30 14.80 0.67 3 -3 30 9.60 0.53 5 -4 -30 4.99 0.54 4 -4 -30 1.03 0.39 -4 -4 30 1.09 0.26 -3 -4 30 31.97 1.15 3 -4 -30 33.37 1.36 2 -4 -30 1.09 0.41 -2 -4 30 1.37 0.30 1 -4 -30 2.96 0.49 -1 -4 30 2.87 0.36 0 -4 -30 0.75 0.36 0 -4 30 0.62 0.29 -1 -4 -30 44.11 1.57 1 -4 30 42.42 1.45 -2 -4 -30 0.52 0.30 2 -4 30 0.42 0.25 3 -4 30 18.88 0.77 4 -5 -30 12.69 0.79 -4 -5 30 13.10 0.61 -3 -5 30 0.01 0.24 3 -5 -30 0.55 0.37 2 -5 -30 1.69 0.43 -2 -5 30 1.52 0.31 -1 -5 30 51.93 1.67 1 -5 -30 50.03 1.82 0 -5 30 0.05 0.25 0 -5 -30 0.46 0.35 1 -5 30 16.30 0.73 -1 -5 -30 16.82 0.85 -2 -5 -30 8.90 0.59 2 -5 30 8.27 0.51 3 -6 -30 30.16 1.26 -3 -6 30 31.59 1.10 -2 -6 30 10.30 0.57 1 -6 -30 5.61 0.55 -1 -6 30 5.14 0.43 0 -6 30 12.76 0.64 0 -6 -30 14.27 0.78 -1 -6 -30 45.52 1.60 3 -1 -31 6.39 0.54 2 -1 -31 4.21 0.45 -1 -1 31 70.99 2.11 1 -1 -31 70.36 2.22 0 -1 31 0.19 0.20 1 -1 31 24.26 0.87 3 -2 -31 35.94 1.35 2 -2 -31 2.03 0.38 -2 -2 31 1.61 0.26 1 -2 -31 6.51 0.53 -1 -2 31 6.94 0.44 0 -2 -31 28.12 1.10 0 -2 31 29.69 1.02 1 -2 31 24.44 0.89 2 -3 -31 47.82 1.69 -2 -3 31 49.63 1.54 1 -3 -31 6.91 0.56 -1 -3 31 7.48 0.45 0 -3 31 1.31 0.26 0 -3 -31 1.05 0.32 0 0 0 0.00 0.00 ; _shelx_res_checksum 58324 _shelx_res_file ; TITL Final_04 in P2(1)/n CELL 1.54178 14.2622 18.6958 26.3842 90 93.484 90 ZERR 4 0.0012 0.0015 0.0022 0 0.003 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H N O U UNIT 328 356 4 48 4 EQIV $1 0.5-X,-0.5+Y,0.5-Z DFIX 1.5 N1B C75B EADP O4S O4SB EADP C73B C73 EADP N1B N1 EADP C77 C77B EADP C75B C75 EADP C76 C76B L.S. 10 PLAN -20 0 0 SIZE 0.05 0.05 0.3 TEMP -173.15 HTAB O3S O2S_$1 HTAB O2S O6 HTAB O1S O4S HTAB O1S O4SB HTAB N1 O3 HTAB O4S O4 HTAB N1B O6_$1 BOND $H fmap 2 acta 136 OMIT 1 1 2 OMIT 0 4 0 REM C:/Users/Curtis/Desktop/Aaron/Final_04.hkl WGHT 0.028300 7.470900 FVAR 0.05570 0.66420 0.82884 U1 5 0.102942 0.192344 0.202211 11.00000 0.01425 0.01358 = 0.01455 0.00040 -0.00036 0.00013 O2 4 0.128189 0.158241 0.141575 11.00000 0.02265 0.02111 = 0.01946 -0.00298 0.00221 0.00013 O3 4 0.070807 0.066267 0.229657 11.00000 0.01767 0.01927 = 0.02275 0.00051 -0.00324 0.00040 O6 4 0.105401 0.318171 0.168917 11.00000 0.01711 0.02085 = 0.02080 0.00218 0.00098 0.00121 O5 4 -0.029595 0.262699 0.166728 11.00000 0.01988 0.01687 = 0.01925 0.00136 -0.00144 -0.00091 O8 4 0.243814 0.135172 0.244276 11.00000 0.01804 0.01640 = 0.02011 0.00173 0.00284 -0.00270 O7 4 0.263585 0.241439 0.211006 11.00000 0.01904 0.01553 = 0.01618 0.00207 -0.00030 0.00081 O4 4 -0.048288 0.126370 0.196076 11.00000 0.01928 0.01542 = 0.02155 0.00199 -0.00181 -0.00023 O1 4 0.077664 0.226058 0.263096 11.00000 0.02001 0.02162 = 0.01565 -0.00133 0.00037 0.00116 O3S 4 0.262736 -0.056612 0.489922 11.00000 0.05279 0.03485 = 0.03591 -0.00796 -0.00411 0.00936 AFIX 147 H3S 2 0.269370 -0.081317 0.463789 11.00000 -1.50000 AFIX 0 O2S 4 0.235979 0.355785 0.095506 11.00000 0.03298 0.02936 = 0.03349 0.00176 0.00551 -0.00198 AFIX 147 H2S 2 0.191755 0.351509 0.114911 11.00000 -1.50000 AFIX 0 O1S 4 -0.286652 0.267480 0.096351 11.00000 0.04514 0.04003 = 0.03715 -0.00490 -0.00337 0.00437 AFIX 147 H1S 2 -0.264825 0.229061 0.108635 11.00000 -1.50000 AFIX 0 PART 1 N1 3 0.204851 -0.023045 0.284191 31.00000 0.03249 0.02547 = 0.02228 0.00195 -0.00356 0.00675 AFIX 13 H1 2 0.161554 0.008669 0.263128 31.00000 -1.20000 AFIX 0 PART 0 C1 1 -0.015190 0.068616 0.214983 11.00000 0.01823 0.01796 = 0.01427 -0.00172 0.00049 -0.00039 C2 1 -0.076762 0.003933 0.218356 11.00000 0.01566 0.01611 = 0.02106 0.00164 -0.00544 0.00030 C3 1 -0.069102 -0.050604 0.182058 11.00000 0.01807 0.01892 = 0.02060 -0.00008 -0.00321 0.00164 C4 1 -0.123253 -0.112412 0.186321 11.00000 0.02307 0.01924 = 0.02529 -0.00575 -0.00280 -0.00235 AFIX 43 H4 2 -0.116686 -0.150563 0.163020 11.00000 -1.20000 AFIX 0 C5 1 -0.186176 -0.118914 0.223878 11.00000 0.02362 0.02184 = 0.03119 -0.00107 -0.00097 -0.00789 AFIX 43 H5 2 -0.223928 -0.160600 0.225641 11.00000 -1.20000 AFIX 0 C6 1 -0.193957 -0.064621 0.258809 11.00000 0.02179 0.02486 = 0.02278 0.00125 0.00090 -0.00443 AFIX 43 H6 2 -0.238118 -0.069206 0.284157 11.00000 -1.20000 AFIX 0 C7 1 -0.138520 -0.003079 0.257833 11.00000 0.01753 0.02126 = 0.02019 0.00016 -0.00314 0.00033 C8 1 -0.143291 0.048151 0.301081 11.00000 0.01447 0.02338 = 0.02188 -0.00214 0.00000 -0.00342 C9 1 -0.150563 0.122302 0.296438 11.00000 0.02147 0.02446 = 0.02120 -0.00022 0.00079 0.00003 AFIX 43 H9 2 -0.152362 0.143673 0.263726 11.00000 -1.20000 AFIX 0 C10 1 -0.155207 0.165268 0.339311 11.00000 0.02027 0.02131 = 0.02696 -0.00236 0.00211 0.00037 AFIX 43 H10 2 -0.158469 0.215719 0.335291 11.00000 -1.20000 AFIX 0 C11 1 -0.155200 0.136225 0.388009 11.00000 0.01499 0.02663 = 0.02318 -0.00360 0.00211 -0.00381 C12 1 -0.158436 0.182475 0.435305 11.00000 0.02177 0.02558 = 0.02206 -0.00459 0.00530 -0.00230 AFIX 23 H12A 2 -0.148393 0.151869 0.465772 11.00000 -1.20000 H12B 2 -0.221519 0.204368 0.436196 11.00000 -1.20000 AFIX 0 C13 1 -0.084584 0.241471 0.437102 11.00000 0.02112 0.02332 = 0.01354 -0.00369 0.00405 -0.00186 C14 1 -0.107313 0.310851 0.420238 11.00000 0.02055 0.02539 = 0.01408 -0.00554 0.00131 0.00076 C15 1 -0.036087 0.363127 0.419101 11.00000 0.02327 0.02258 = 0.01272 -0.00461 0.00464 0.00173 C16 1 -0.057548 0.435091 0.393929 11.00000 0.02226 0.02095 = 0.02015 -0.00278 0.00123 0.00228 AFIX 23 H16A 2 -0.013003 0.471236 0.408595 11.00000 -1.20000 H16B 2 -0.121710 0.450130 0.401613 11.00000 -1.20000 AFIX 0 C17 1 -0.050706 0.433293 0.336250 11.00000 0.01543 0.02136 = 0.02239 -0.00137 0.00027 0.00095 C18 1 -0.058374 0.370350 0.307859 11.00000 0.02476 0.01852 = 0.02245 0.00271 0.00232 0.00176 AFIX 43 H18 2 -0.061751 0.325821 0.324996 11.00000 -1.20000 AFIX 0 C19 1 -0.061171 0.371250 0.255409 11.00000 0.02315 0.01749 = 0.01969 -0.00141 0.00128 0.00080 AFIX 43 H19 2 -0.069277 0.327544 0.237304 11.00000 -1.20000 AFIX 0 C20 1 -0.052354 0.434958 0.228371 11.00000 0.01590 0.02059 = 0.02152 0.00099 0.00036 0.00171 C21 1 -0.039212 0.497478 0.257079 11.00000 0.02381 0.01900 = 0.02250 0.00251 0.00061 -0.00093 AFIX 43 H21 2 -0.029593 0.541510 0.240189 11.00000 -1.20000 AFIX 0 C22 1 -0.039901 0.496662 0.309610 11.00000 0.02310 0.01989 = 0.02458 -0.00377 0.00098 -0.00026 AFIX 43 H22 2 -0.032835 0.540366 0.327810 11.00000 -1.20000 AFIX 0 C23 1 -0.061004 0.439167 0.171449 11.00000 0.01996 0.01937 = 0.02010 0.00106 -0.00018 -0.00231 C24 1 -0.031479 0.385185 0.139082 11.00000 0.01522 0.01739 = 0.02025 0.00299 -0.00141 -0.00184 C25 1 -0.043724 0.392305 0.085844 11.00000 0.01907 0.02464 = 0.02114 0.00300 0.00044 0.00003 C26 1 -0.016049 0.334820 0.050322 11.00000 0.02161 0.02793 = 0.01867 0.00087 -0.00554 0.00669 C27 1 -0.053819 0.266159 0.052561 11.00000 0.03405 0.03076 = 0.01943 0.00065 -0.00700 0.00530 AFIX 43 H27 2 -0.096691 0.255054 0.077600 11.00000 -1.20000 AFIX 0 C28 1 -0.029159 0.214041 0.018464 11.00000 0.04780 0.03059 = 0.03088 -0.00789 -0.01592 0.01176 AFIX 43 H28 2 -0.054669 0.167246 0.020371 11.00000 -1.20000 AFIX 0 C29 1 0.032713 0.230186 -0.018413 11.00000 0.03757 0.06037 = 0.03313 -0.02188 -0.01209 0.02591 AFIX 43 H29 2 0.049697 0.194421 -0.041734 11.00000 -1.20000 AFIX 0 C30 1 0.069863 0.298553 -0.021290 11.00000 0.02207 0.07300 = 0.02439 -0.01148 -0.00324 0.00999 AFIX 43 H30 2 0.112385 0.309616 -0.046513 11.00000 -1.20000 AFIX 0 C31 1 0.044732 0.350821 0.012811 11.00000 0.02130 0.04520 = 0.02120 -0.00045 -0.00298 0.00387 AFIX 43 H31 2 0.069350 0.397834 0.010414 11.00000 -1.20000 AFIX 0 C32 1 -0.083175 0.455313 0.065621 11.00000 0.02844 0.02874 = 0.01927 0.00541 -0.00245 0.00280 AFIX 43 H32 2 -0.089261 0.461742 0.029855 11.00000 -1.20000 AFIX 0 C33 1 -0.113503 0.508521 0.097370 11.00000 0.03293 0.02246 = 0.02870 0.00892 0.00036 0.00688 AFIX 43 H33 2 -0.141276 0.550807 0.083264 11.00000 -1.20000 AFIX 0 C34 1 -0.103482 0.500261 0.149379 11.00000 0.02761 0.02118 = 0.02559 0.00051 0.00207 0.00434 AFIX 43 H34 2 -0.125799 0.536685 0.170676 11.00000 -1.20000 AFIX 0 C35 1 0.016697 0.319053 0.159149 11.00000 0.02135 0.01888 = 0.01001 -0.00261 0.00096 0.00015 C36 1 0.056098 0.346440 0.436756 11.00000 0.02222 0.02206 = 0.01137 -0.00526 0.00226 -0.00022 C37 1 0.078017 0.276784 0.453754 11.00000 0.01994 0.02598 = 0.00905 -0.00517 0.00159 0.00182 C38 1 0.178960 0.257174 0.469526 11.00000 0.02067 0.02468 = 0.01582 -0.00137 0.00051 0.00004 AFIX 23 H38A 2 0.179032 0.217841 0.494650 11.00000 -1.20000 H38B 2 0.210197 0.298961 0.486272 11.00000 -1.20000 AFIX 0 C39 1 0.235187 0.233942 0.424983 11.00000 0.01771 0.01873 = 0.01744 -0.00305 0.00107 -0.00309 C40 1 0.214915 0.259814 0.375919 11.00000 0.01785 0.01938 = 0.01950 -0.00162 -0.00057 0.00212 AFIX 43 H40 2 0.159646 0.287301 0.368831 11.00000 -1.20000 AFIX 0 C41 1 0.274308 0.245975 0.337338 11.00000 0.02084 0.01994 = 0.01371 -0.00055 -0.00069 -0.00156 AFIX 43 H41 2 0.260337 0.265835 0.304605 11.00000 -1.20000 AFIX 0 C42 1 0.353912 0.203583 0.345664 11.00000 0.01727 0.01865 = 0.01774 -0.00409 0.00120 -0.00282 C43 1 0.371212 0.173552 0.394144 11.00000 0.01736 0.02236 = 0.02064 -0.00200 -0.00142 0.00229 AFIX 43 H43 2 0.423074 0.142230 0.400409 11.00000 -1.20000 AFIX 0 C44 1 0.313009 0.189344 0.432979 11.00000 0.02000 0.02396 = 0.01647 0.00139 -0.00337 -0.00020 AFIX 43 H44 2 0.326533 0.169316 0.465700 11.00000 -1.20000 AFIX 0 C45 1 0.423826 0.194294 0.306267 11.00000 0.01904 0.01444 = 0.01914 -0.00083 0.00089 0.00019 C46 1 0.519252 0.196376 0.321991 11.00000 0.02195 0.02132 = 0.02059 -0.00164 -0.00148 0.00097 AFIX 43 H46 2 0.537264 0.201204 0.357083 11.00000 -1.20000 AFIX 0 C47 1 0.587962 0.191501 0.287147 11.00000 0.01507 0.02116 = 0.03033 -0.00216 -0.00027 -0.00094 AFIX 43 H47 2 0.652455 0.193140 0.298444 11.00000 -1.20000 AFIX 0 C48 1 0.562663 0.184252 0.235941 11.00000 0.01750 0.01886 = 0.02653 0.00027 0.00692 -0.00082 AFIX 43 H48 2 0.610232 0.181024 0.212355 11.00000 -1.20000 AFIX 0 C49 1 0.468446 0.181603 0.218363 11.00000 0.02023 0.01407 = 0.01903 0.00098 0.00314 0.00013 C50 1 0.398604 0.187131 0.253873 11.00000 0.01845 0.01288 = 0.01846 0.00104 0.00129 -0.00031 C51 1 0.296751 0.187914 0.235409 11.00000 0.02102 0.01546 = 0.01201 -0.00201 0.00177 0.00051 C52 1 0.445990 0.168676 0.163067 11.00000 0.02186 0.01819 = 0.01861 0.00078 0.00420 0.00583 C53 1 0.374178 0.122874 0.145643 11.00000 0.02172 0.02159 = 0.01973 0.00022 0.00402 0.00392 AFIX 43 H53 2 0.334653 0.102000 0.169302 11.00000 -1.20000 AFIX 0 C54 1 0.359072 0.107008 0.094182 11.00000 0.02798 0.03020 = 0.02599 -0.00472 -0.00055 0.00663 AFIX 43 H54 2 0.308723 0.076593 0.082835 11.00000 -1.20000 AFIX 0 C55 1 0.418144 0.135975 0.059612 11.00000 0.04031 0.03994 = 0.01693 -0.00055 0.00235 0.01237 AFIX 43 H55 2 0.409385 0.124507 0.024567 11.00000 -1.20000 AFIX 0 C56 1 0.489592 0.181471 0.076375 11.00000 0.03656 0.03588 = 0.02133 0.00818 0.01278 0.00796 AFIX 43 H56 2 0.529857 0.201330 0.052668 11.00000 -1.20000 AFIX 0 C57 1 0.503323 0.198554 0.127430 11.00000 0.02616 0.02297 = 0.02639 0.00445 0.00789 0.00226 AFIX 43 H57 2 0.551994 0.230767 0.138290 11.00000 -1.20000 AFIX 0 C58 1 0.008392 0.223902 0.452951 11.00000 0.02365 0.02223 = 0.01308 -0.00429 0.00423 0.00189 C59 1 0.033797 0.148072 0.468972 11.00000 0.02351 0.02504 = 0.02247 -0.00035 0.00179 0.00158 AFIX 23 H59A 2 0.099179 0.138208 0.460417 11.00000 -1.20000 H59B 2 -0.007754 0.114396 0.449280 11.00000 -1.20000 AFIX 0 C60 1 0.025173 0.133899 0.526129 11.00000 0.03548 0.03068 = 0.02706 0.00613 0.00258 0.00411 AFIX 137 H60A 2 0.069665 0.164404 0.545924 11.00000 -1.50000 H60B 2 0.039310 0.083555 0.533583 11.00000 -1.50000 H60C 2 -0.038931 0.144738 0.535174 11.00000 -1.50000 AFIX 0 C61 1 0.131351 0.404079 0.438246 11.00000 0.01950 0.02540 = 0.02090 -0.00421 0.00326 -0.00109 AFIX 23 H61A 2 0.118188 0.437835 0.409790 11.00000 -1.20000 H61B 2 0.193255 0.381741 0.433816 11.00000 -1.20000 AFIX 0 C62 1 0.134921 0.445301 0.488597 11.00000 0.02551 0.02762 = 0.02811 -0.00677 0.00391 -0.00392 AFIX 137 H62A 2 0.074335 0.468743 0.492531 11.00000 -1.50000 H62B 2 0.184613 0.481505 0.488614 11.00000 -1.50000 H62C 2 0.148095 0.411988 0.516813 11.00000 -1.50000 AFIX 0 C63 1 -0.207417 0.331706 0.403450 11.00000 0.02112 0.02604 = 0.02377 -0.00504 -0.00128 0.00225 AFIX 23 H63A 2 -0.242338 0.288381 0.391796 11.00000 -1.20000 H63B 2 -0.206159 0.365010 0.374327 11.00000 -1.20000 AFIX 0 C64 1 -0.259563 0.367508 0.446131 11.00000 0.02160 0.03240 = 0.02932 -0.00295 0.00418 0.00242 AFIX 137 H64A 2 -0.263872 0.333903 0.474401 11.00000 -1.50000 H64B 2 -0.322899 0.381125 0.433155 11.00000 -1.50000 H64C 2 -0.225107 0.410282 0.458002 11.00000 -1.50000 AFIX 0 C65 1 -0.149471 0.062082 0.392303 11.00000 0.02844 0.02702 = 0.02141 0.00269 0.00313 -0.00643 AFIX 43 H65 2 -0.150127 0.040634 0.424921 11.00000 -1.20000 AFIX 0 C66 1 -0.142841 0.019011 0.349981 11.00000 0.02663 0.02075 = 0.02673 0.00064 0.00196 -0.00632 AFIX 43 H66 2 -0.137885 -0.031337 0.354208 11.00000 -1.20000 AFIX 0 C67 1 -0.005309 -0.046127 0.139634 11.00000 0.01847 0.02116 = 0.02069 -0.00361 -0.00339 -0.00114 C68 1 -0.002322 0.013886 0.107916 11.00000 0.02616 0.02291 = 0.02435 -0.00269 0.00093 0.00251 AFIX 43 H68 2 -0.039965 0.054471 0.114222 11.00000 -1.20000 AFIX 0 C69 1 0.055241 0.014397 0.067382 11.00000 0.03449 0.02849 = 0.02423 0.00123 0.00384 -0.00098 AFIX 43 H69 2 0.057678 0.055616 0.046446 11.00000 -1.20000 AFIX 0 C70 1 0.108905 -0.044666 0.057368 11.00000 0.02683 0.03752 = 0.02839 -0.00754 0.00693 0.00043 AFIX 43 H70 2 0.147468 -0.044249 0.029251 11.00000 -1.20000 AFIX 0 C71 1 0.106875 -0.104417 0.088005 11.00000 0.02504 0.03111 = 0.03046 -0.00869 0.00106 0.00639 AFIX 43 H71 2 0.143996 -0.145028 0.081029 11.00000 -1.20000 AFIX 0 C72 1 0.050367 -0.104980 0.129082 11.00000 0.02400 0.02153 = 0.02698 -0.00291 -0.00232 0.00076 AFIX 43 H72 2 0.049639 -0.146025 0.150280 11.00000 -1.20000 AFIX 0 C4S 1 -0.262391 0.081230 0.135361 11.00000 0.02969 0.04628 = 0.05403 0.00219 -0.01005 -0.00035 PART 2 AFIX 33 H4SA 2 -0.266613 0.081115 0.098149 21.00000 -1.50000 H4SB 2 -0.324339 0.070966 0.147800 21.00000 -1.50000 H4SC 2 -0.217602 0.044561 0.147809 21.00000 -1.50000 AFIX 33 PART 0 PART 3 H4SD 2 -0.283426 0.062125 0.101997 -21.00000 -1.50000 H4SE 2 -0.317161 0.094460 0.154018 -21.00000 -1.50000 H4SF 2 -0.225757 0.044758 0.154481 -21.00000 -1.50000 AFIX 0 PART 0 C3S 1 0.214270 0.006730 0.476422 11.00000 0.04985 0.03173 = 0.03830 0.00167 0.00381 0.00345 AFIX 137 H3SA 2 0.247263 0.031896 0.450216 11.00000 -1.50000 H3SB 2 0.211379 0.037447 0.506385 11.00000 -1.50000 H3SC 2 0.150390 -0.005007 0.463257 11.00000 -1.50000 AFIX 0 C74 1 0.069868 -0.103239 0.315622 11.00000 0.04662 0.06886 = 0.05061 0.01838 0.00712 0.01692 PART 1 AFIX 137 H74A 2 0.085672 -0.096546 0.351980 31.00000 -1.50000 H74B 2 0.042562 -0.150866 0.309864 31.00000 -1.50000 H74C 2 0.024349 -0.066761 0.303718 31.00000 -1.50000 AFIX 137 PART 0 PART 2 H74D 2 0.113680 -0.097806 0.345451 -31.00000 -1.50000 H74E 2 0.030674 -0.145631 0.319817 -31.00000 -1.50000 H74F 2 0.029794 -0.060739 0.312027 -31.00000 -1.50000 AFIX 0 PART 0 PART 1 C73 1 0.158554 -0.096306 0.286542 31.00000 0.03799 0.02914 = 0.03810 -0.00310 0.00129 0.00199 AFIX 23 H73A 2 0.205692 -0.130112 0.301774 31.00000 -1.20000 H73B 2 0.143222 -0.112325 0.251244 31.00000 -1.20000 AFIX 0 C75 1 0.222507 0.012347 0.335467 31.00000 0.03958 0.03607 = 0.02360 0.00090 -0.00801 -0.00091 AFIX 23 H75A 2 0.282989 0.038407 0.336038 31.00000 -1.20000 H75B 2 0.227962 -0.025046 0.362051 31.00000 -1.20000 AFIX 0 C76 1 0.144708 0.064496 0.347835 31.00000 0.04797 0.03147 = 0.02162 0.00040 -0.00153 0.00111 AFIX 137 H76A 2 0.138012 0.101089 0.321267 31.00000 -1.50000 H76B 2 0.160824 0.087424 0.380615 31.00000 -1.50000 H76C 2 0.085365 0.038440 0.349561 31.00000 -1.50000 AFIX 0 PART 0 C78 1 0.278179 -0.049959 0.203234 11.00000 0.04903 0.04577 = 0.04670 -0.00964 0.01380 -0.01507 PART 1 AFIX 137 H78A 2 0.256402 -0.099649 0.201179 31.00000 -1.50000 H78B 2 0.336751 -0.045377 0.185914 31.00000 -1.50000 H78C 2 0.230312 -0.018571 0.186898 31.00000 -1.50000 AFIX 137 PART 0 PART 2 H78D 2 0.225945 -0.070063 0.181963 -31.00000 -1.50000 H78E 2 0.335785 -0.051871 0.184835 -31.00000 -1.50000 H78F 2 0.264146 -0.000135 0.211482 -31.00000 -1.50000 AFIX 0 PART 0 PART 1 C77 1 0.295026 -0.029080 0.257576 31.00000 0.03004 0.02295 = 0.04761 -0.00024 0.00476 0.00296 AFIX 23 H77A 2 0.328219 0.017436 0.259540 31.00000 -1.20000 H77B 2 0.336021 -0.065175 0.275186 31.00000 -1.20000 AFIX 0 PART 0 C2S 1 0.266652 0.286469 0.080747 11.00000 0.03350 0.03076 = 0.03156 0.00525 0.00651 0.00523 AFIX 137 H2SA 2 0.310381 0.291318 0.053704 11.00000 -1.50000 H2SB 2 0.212252 0.258042 0.068361 11.00000 -1.50000 H2SC 2 0.298351 0.262524 0.110059 11.00000 -1.50000 AFIX 0 C1S 1 -0.274406 0.322159 0.132481 11.00000 0.03451 0.03805 = 0.05851 -0.01496 0.00016 -0.00219 AFIX 137 H1SA 2 -0.218864 0.311942 0.155022 11.00000 -1.50000 H1SB 2 -0.329965 0.324900 0.152501 11.00000 -1.50000 H1SC 2 -0.265823 0.367871 0.115186 11.00000 -1.50000 AFIX 0 PART 2 O4S 4 -0.232175 0.147717 0.152777 21.00000 0.02781 0.04052 = 0.05387 -0.00102 -0.01089 0.00342 AFIX 147 H4S 2 -0.174086 0.146385 0.160196 21.00000 -1.50000 AFIX 0 PART 0 PART 3 O4SB 4 -0.205164 0.143097 0.128913 -21.00000 0.02781 0.04052 = 0.05387 -0.00102 -0.01089 0.00342 AFIX 147 H4SG 2 -0.167266 0.134953 0.106448 -21.00000 -1.50000 AFIX 0 PART 0 PART 2 N1B 3 0.223120 -0.086633 0.289505 -31.00000 0.03249 0.02547 = 0.02228 0.00195 -0.00356 0.00675 AFIX 13 H1B 2 0.245688 -0.121618 0.316202 -31.00000 -1.20000 AFIX 0 C75B 1 0.219884 -0.014841 0.314822 -31.00000 0.03958 0.03607 = 0.02360 0.00090 -0.00801 -0.00091 AFIX 23 H75C 2 0.176837 -0.016917 0.342841 -31.00000 -1.20000 H75D 2 0.195332 0.021274 0.289984 -31.00000 -1.20000 AFIX 0 C76B 1 0.318601 0.007434 0.335996 -31.00000 0.04797 0.03147 = 0.02162 0.00040 -0.00153 0.00111 AFIX 137 H76D 2 0.364464 -0.002992 0.310807 -31.00000 -1.50000 H76E 2 0.335019 -0.019327 0.367221 -31.00000 -1.50000 H76F 2 0.319132 0.058794 0.343434 -31.00000 -1.50000 AFIX 0 C77B 1 0.290651 -0.090011 0.248492 -31.00000 0.03004 0.02295 = 0.04761 -0.00024 0.00476 0.00296 AFIX 23 H77C 2 0.353022 -0.076843 0.264265 -31.00000 -1.20000 H77D 2 0.294758 -0.140850 0.238367 -31.00000 -1.20000 AFIX 0 C73B 1 0.123364 -0.111598 0.269708 -31.00000 0.03799 0.02914 = 0.03810 -0.00310 0.00129 0.00199 AFIX 23 H73C 2 0.097689 -0.080865 0.241629 -31.00000 -1.20000 H73D 2 0.123785 -0.161970 0.258153 -31.00000 -1.20000 AFIX 0 HKLF 4 REM Final_04 in P2(1)/n REM R1 = 0.0228 for 11660 Fo > 4sig(Fo) and 0.0246 for all 12372 data REM 900 parameters refined using 1 restraints END WGHT 0.0283 7.4584 REM Highest difference peak 0.848, deepest hole -0.825, 1-sigma level 0.071 Q1 1 0.0446 0.1892 0.1917 11.00000 0.05 0.85 Q2 1 0.1237 0.1770 0.2319 11.00000 0.05 0.74 Q3 1 0.1085 0.2133 0.2311 11.00000 0.05 0.71 Q4 1 0.0862 0.1649 0.1777 11.00000 0.05 0.60 Q5 1 -0.3330 0.0916 0.1173 11.00000 0.05 0.51 Q6 1 0.1333 0.2404 0.2063 11.00000 0.05 0.46 Q7 1 -0.2181 0.0563 0.1092 11.00000 0.05 0.40 Q8 1 0.5199 0.1942 0.0098 11.00000 0.05 0.40 Q9 1 0.1054 0.2840 0.1532 11.00000 0.05 0.38 Q10 1 0.2261 0.2598 0.2201 11.00000 0.05 0.37 Q11 1 0.4587 0.1790 0.1905 11.00000 0.05 0.37 Q12 1 0.1181 -0.1405 0.2908 11.00000 0.05 0.37 Q13 1 0.1034 0.1008 0.2467 11.00000 0.05 0.36 Q14 1 -0.2276 0.1983 0.1545 11.00000 0.05 0.35 Q15 1 0.2556 0.2016 0.1928 11.00000 0.05 0.35 Q16 1 0.1347 0.3010 0.1940 11.00000 0.05 0.34 Q17 1 0.2377 0.1788 0.2498 11.00000 0.05 0.34 Q18 1 0.1038 0.0764 0.2033 11.00000 0.05 0.33 Q19 1 0.1032 0.1036 0.1542 11.00000 0.05 0.33 Q20 1 0.0971 0.9612 0.2033 11.00000 0.05 0.31 ; _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelxl_version_number 2013-3 _database_code_depnum_ccdc_archive 'CCDC 940964'