# Electronic Supplementary Material (ESI) for CrystEngComm # This journal is © The Royal Society of Chemistry 2012 ####################################################################### # # 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_I _database_code_depnum_ccdc_archive 'CCDC 856689' #TrackingRef '8489_web_deposit_cif_file_0_PhilippePoizot_ #1322845766.Li2DHDMQ-4H2O.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety 'C4 H7 Li1 O5' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'C4 H7 Li1 O5' _chemical_formula_weight 142 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x+1/2,y+1/2,-z+1/2 3 -x,-y,-z 4 x+1/2,-y+1/2,z+1/2 _cell_length_a 5.3318(5) _cell_length_b 9.5162(9) _cell_length_c 12.7812(13) _cell_angle_alpha 90 _cell_angle_beta 96.490(10) _cell_angle_gamma 90 _cell_volume 644.34(11) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 1.4637 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 296 _exptl_absorpt_coefficient_mu 0.134 _exptl_crystal_description plate _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _exptl_crystal_size_rad ? _exptl_crystal_colour purple _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details Sadabs _exptl_absorpt_correction_T_min 0.01 _exptl_absorpt_correction_T_max 0.12 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 26652 _diffrn_reflns_theta_min 3.21 _diffrn_reflns_theta_max 26.14 _diffrn_reflns_theta_full 26.14 _diffrn_measured_fraction_theta_max 0.99 _diffrn_measured_fraction_theta_full 0.99 _diffrn_reflns_av_R_equivalents 0.0466 _diffrn_reflns_av_sigmaI/netI 0.0161 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 1284 _reflns_number_gt 978 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0316 _refine_ls_wR_factor_gt 0.0266 _refine_ls_R_factor_all 0.0422 _refine_ls_wR_factor_ref 0.0321 _refine_ls_goodness_of_fit_ref 1.11 _refine_ls_goodness_of_fit_gt 1.07 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 1284 _refine_ls_number_parameters 120 _refine_ls_number_restraints 0 _refine_ls_number_constraints 3 _refine_ls_weighting_scheme unit _refine_ls_weighting_details ? _refine_ls_hydrogen_treatment refall _refine_ls_shift/su_max 0.0430 _refine_ls_shift/su_mean 0.0019 _refine_diff_density_max 0.17 _refine_diff_density_min -0.14 _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c C 0.0033 0.0016 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 2.31 20.843901 1.02 10.2075 1.5886 0.5687 0.865 51.651199 0.2156 H 0.0000 0.0000 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 0.493002 10.5109 0.322912 26.1257 0.140191 3.14236 0.04081 57.799702 0.003038 Li -0.0003 0.0001 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 1.1282 3.9546 0.7508 1.0524 0.6175 85.390503 0.4653 168.261002 0.0377 O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.867 32.908901 0.2508 _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' _computing_molecular_graphics ? _computing_publication_material 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C -0.0049(3) 0.15083(15) -0.00203(12) Uani 0.0273(4) 4 1 d . . . C2 C 0.1362(3) -0.07924(15) 0.08589(11) Uani 0.0264(4) 4 1 d . . . C3 C 0.1410(3) 0.06746(15) 0.08773(11) Uani 0.0270(4) 4 1 d . . . C4 C 0.5115(4) 0.8068(3) 0.15129(17) Uani 0.0493(7) 4 1 d . . . H4a H 0.588(4) 0.751(3) 0.2134(19) Uiso 0.078(7) 4 1 d . . . H4b H 0.612(5) 0.897(3) 0.1454(19) Uiso 0.086(8) 4 1 d . . . H4c H 0.514(4) 0.756(3) 0.088(2) Uiso 0.078(8) 4 1 d . . . O3 O 0.2592(2) 0.14078(11) 0.15896(9) Uani 0.0397(4) 4 1 d . . . O1 O 0.0065(2) 0.28277(11) 0.00753(9) Uani 0.0390(4) 4 1 d . . . O2 O 0.2618(2) 0.84584(11) 0.16977(8) Uani 0.0306(3) 4 1 d . . . Li1 Li 0.2346(5) 0.3513(3) 0.1439(2) Uani 0.0404(9) 4 1 d . . . Ow1 O 0.4675(2) 0.02688(12) 0.34407(9) Uani 0.0372(4) 4 1 d . . . H1a H 0.406(4) 0.065(2) 0.2817(18) Uiso 0.067(5) 4 1 d . . . H1b H 0.460(4) 0.093(2) 0.3930(18) Uiso 0.067(5) 4 1 d . . . Ow2 O 0.4451(3) 0.58557(18) -0.10007(13) Uani 0.0585(6) 4 1 d . . . H2a H 0.328(7) 0.544(4) -0.137(3) Uiso 0.144(12) 4 1 d . . . H2b' H 0.343(13) 0.664(8) -0.079(6) Uiso 0.144(12) 4 0.5 d . . . H2b" H 0.522(16) 0.465(9) 0.042(5) Uiso 0.144(12) 4 0.5 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 C1 C 0.0328(7) 0.0210(7) 0.0280(7) -0.0008(6) 0.0034(6) 0.0016(6) C2 C 0.0325(8) 0.0213(7) 0.0249(7) 0.0003(6) 0.0003(6) 0.0022(5) C3 C 0.0336(8) 0.0235(7) 0.0236(7) -0.0024(6) 0.0014(6) -0.0010(6) C4 C 0.0409(10) 0.0603(13) 0.0464(11) 0.0140(10) 0.0040(8) -0.0018(10) O3 O 0.0585(8) 0.0243(6) 0.0322(6) -0.0040(5) -0.0118(5) -0.0018(5) O1 O 0.0581(7) 0.0195(5) 0.0363(6) -0.0013(5) -0.0088(5) -0.0011(5) O2 O 0.0352(6) 0.0266(5) 0.0288(5) 0.0037(4) -0.0013(4) 0.0036(4) Li1 Li 0.0391(15) 0.0274(14) 0.0534(17) -0.0039(12) -0.0008(13) 0.0001(12) Ow1 O 0.0478(7) 0.0298(6) 0.0311(6) 0.0048(5) -0.0076(5) -0.0017(5) Ow2 O 0.0441(8) 0.0621(10) 0.0690(10) -0.0134(7) 0.0057(7) -0.0095(8) #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag C1 C2 . 3_555 1.390(2) ? C1 C3 . . 1.532(2) ? C1 C3 . 3_555 2.421(2) ? C1 O3 . . 2.3603(18) ? C1 O1 . . 1.2623(18) ? C1 O2 . 3_565 2.4104(17) ? C2 C3 . . 1.396(2) ? C2 C4 . 1_545 2.345(2) ? C2 O3 . . 2.3554(18) ? C2 O1 . 3_555 2.3559(17) ? C2 O2 . 1_545 1.3942(17) ? C3 O3 . . 1.2584(17) ? C3 O1 . . 2.3658(18) ? C3 O2 . 1_545 2.4103(17) ? C4 H4a . . 1.00(2) ? C4 H4b . . 1.02(3) ? C4 H4c . . 0.95(3) ? C4 O2 . . 1.427(2) ? H4a H4b . . 1.66(4) ? H4a H4c . . 1.61(3) ? H4a O2 . . 1.99(2) ? H4b H4c . . 1.60(4) ? H4b O2 . . 1.99(3) ? H4c O2 . . 1.99(3) ? H4c H2b' . . 2.39(7) ? O3 Li1 . . 2.016(3) ? O3 H1a . . 1.82(2) ? O1 Li1 . . 2.113(3) ? O1 H1b . 4_454 1.88(2) ? O1 H2b' . 3_565 2.23(7) ? O2 Li1 . 2_555 2.380(3) ? Li1 Ow1 . 2_555 2.003(3) ? Li1 H1a . 2_555 2.40(2) ? Li1 Ow2 . 3_665 1.951(3) ? Li1 H2b' . 3_665 2.49(7) ? Li1 H2b" . . 2.38(8) ? Ow1 H1a . . 0.90(2) ? Ow1 H1b . . 0.89(2) ? Ow1 H2a . 4_555 2.03(4) ? H1a H1b . . 1.44(3) ? H1b H2a . 4_555 2.42(4) ? Ow2 H2a . . 0.83(4) ? Ow2 H2b' . . 0.98(7) ? Ow2 H2b" . . 2.15(7) ? Ow2 H2b" . 3_665 0.89(7) ? H2a H2b' . . 1.35(8) ? H2a H2b" . 3_665 1.37(8) ? H2b' H2b" . 3_665 1.47(11) ? H2b" H2b" . 3_665 1.26(10) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C2 C1 C3 3_555 . . 119.48(12) ? C2 C1 C3 3_555 . 3_555 29.76(7) ? C2 C1 O3 3_555 . . 148.31(11) ? C2 C1 O1 3_555 . . 125.20(13) ? C2 C1 O2 3_555 . 3_565 30.10(7) ? C3 C1 C3 . . 3_555 89.73(9) ? C3 C1 O3 . . . 28.86(7) ? C3 C1 O1 . . . 115.33(12) ? C3 C1 O2 . . 3_565 149.53(10) ? C3 C1 O3 3_555 . . 118.58(7) ? C3 C1 O1 3_555 . . 154.94(11) ? C3 C1 O2 3_555 . 3_565 59.85(5) ? O3 C1 O1 . . . 86.48(9) ? O3 C1 O2 . . 3_565 177.46(8) ? O1 C1 O2 . . 3_565 95.12(9) ? C1 C2 C3 3_555 . . 120.63(13) ? C1 C2 C4 3_555 . 1_545 112.52(11) ? C1 C2 O3 3_555 . . 146.57(11) ? C1 C2 O1 3_555 . 3_555 25.97(7) ? C1 C2 O2 3_555 . 1_545 119.90(12) ? C3 C2 C4 . . 1_545 116.31(11) ? C3 C2 O3 . . . 25.96(7) ? C3 C2 O1 . . 3_555 146.58(10) ? C3 C2 O2 . . 1_545 119.47(12) ? C4 C2 O3 1_545 . . 94.69(8) ? C4 C2 O1 1_545 . 3_555 90.80(8) ? C4 C2 O2 1_545 . 1_545 34.22(8) ? O3 C2 O1 . . 3_555 172.42(8) ? O3 C2 O2 . . 1_545 93.53(8) ? O1 C2 O2 3_555 . 1_545 93.95(8) ? C1 C3 C1 . . 3_555 90.27(9) ? C1 C3 C2 . . . 119.88(12) ? C1 C3 O3 . . . 115.14(12) ? C1 C3 O1 . . . 28.84(7) ? C1 C3 O2 . . 1_545 150.08(10) ? C1 C3 C2 3_555 . . 29.62(7) ? C1 C3 O3 3_555 . . 154.57(11) ? C1 C3 O1 3_555 . . 119.11(7) ? C1 C3 O2 3_555 . 1_545 59.85(5) ? C2 C3 O3 . . . 124.97(13) ? C2 C3 O1 . . . 148.70(10) ? C2 C3 O2 . . 1_545 30.24(7) ? O3 C3 O1 . . . 86.32(9) ? O3 C3 O2 . . 1_545 94.76(9) ? O1 C3 O2 . . 1_545 177.88(8) ? C2 C4 H4a 1_565 . . 141.5(14) ? C2 C4 H4b 1_565 . . 91.0(14) ? C2 C4 H4c 1_565 . . 91.5(14) ? C2 C4 O2 1_565 . . 33.32(7) ? H4a C4 H4b . . . 109.6(19) ? H4a C4 H4c . . . 111(2) ? H4a C4 O2 . . . 108.2(14) ? H4b C4 H4c . . . 108(2) ? H4b C4 O2 . . . 107.4(15) ? H4c C4 O2 . . . 112.3(14) ? C4 H4a H4b . . . 35.6(12) ? C4 H4a H4c . . . 33.3(12) ? C4 H4a O2 . . . 43.0(10) ? H4b H4a H4c . . . 58.5(15) ? H4b H4a O2 . . . 65.5(12) ? H4c H4a O2 . . . 66.2(12) ? C4 H4b H4a . . . 34.9(12) ? C4 H4b H4c . . . 34.3(13) ? C4 H4b O2 . . . 43.2(10) ? H4a H4b H4c . . . 59.3(15) ? H4a H4b O2 . . . 65.3(12) ? H4c H4b O2 . . . 66.4(13) ? C4 H4c H4a . . . 35.6(13) ? C4 H4c H4b . . . 37.5(14) ? C4 H4c O2 . . . 41.6(11) ? C4 H4c H2b' . . . 156(3) ? H4a H4c H4b . . . 62.2(15) ? H4a H4c O2 . . . 66.0(12) ? H4a H4c H2b' . . . 155(2) ? H4b H4c O2 . . . 66.3(13) ? H4b H4c H2b' . . . 142(2) ? O2 H4c H2b' . . . 115(2) ? C1 O3 C2 . . . 65.06(6) ? C1 O3 C3 . . . 36.00(8) ? C1 O3 Li1 . . . 81.40(10) ? C1 O3 H1a . . . 157.3(7) ? C2 O3 C3 . . . 29.06(8) ? C2 O3 Li1 . . . 146.45(10) ? C2 O3 H1a . . . 93.5(7) ? C3 O3 Li1 . . . 117.39(12) ? C3 O3 H1a . . . 122.3(7) ? Li1 O3 H1a . . . 119.6(7) ? C1 O1 C2 . . 3_555 28.84(8) ? C1 O1 C3 . . . 35.84(8) ? C1 O1 Li1 . . . 113.81(12) ? C1 O1 H1b . . 4_454 123.4(7) ? C1 O1 H2b' . . 3_565 103.5(19) ? C2 O1 C3 3_555 . . 64.67(5) ? C2 O1 Li1 3_555 . . 142.63(10) ? C2 O1 H1b 3_555 . 4_454 96.6(7) ? C2 O1 H2b' 3_555 . 3_565 99.1(18) ? C3 O1 Li1 . . . 77.99(9) ? C3 O1 H1b . . 4_454 153.0(7) ? C3 O1 H2b' . . 3_565 104.3(19) ? Li1 O1 H1b . . 4_454 117.5(7) ? Li1 O1 H2b' . . 3_565 91.2(18) ? H1b O1 H2b' 4_454 . 3_565 98(2) ? C1 O2 C2 3_565 . 1_565 30.01(7) ? C1 O2 C3 3_565 . 1_565 60.29(5) ? C1 O2 C4 3_565 . . 107.65(11) ? C1 O2 H4a 3_565 . . 130.4(7) ? C1 O2 H4b 3_565 . . 107.9(7) ? C1 O2 H4c 3_565 . . 83.5(7) ? C1 O2 Li1 3_565 . 2_555 146.01(9) ? C2 O2 C3 1_565 . 1_565 30.29(7) ? C2 O2 C4 1_565 . . 112.46(13) ? C2 O2 H4a 1_565 . . 141.1(7) ? C2 O2 H4b 1_565 . . 97.6(7) ? C2 O2 H4c 1_565 . . 96.3(7) ? C2 O2 Li1 1_565 . 2_555 134.99(11) ? C3 O2 C4 1_565 . . 111.38(12) ? C3 O2 H4a 1_565 . . 134.7(7) ? C3 O2 H4b 1_565 . . 85.7(8) ? C3 O2 H4c 1_565 . . 108.2(7) ? C3 O2 Li1 1_565 . 2_555 112.81(9) ? C4 O2 H4a . . . 28.7(7) ? C4 O2 H4b . . . 29.4(8) ? C4 O2 H4c . . . 26.1(7) ? C4 O2 Li1 . . 2_555 105.62(12) ? H4a O2 H4b . . . 49.2(10) ? H4a O2 H4c . . . 47.8(10) ? H4a O2 Li1 . . 2_555 79.7(7) ? H4b O2 H4c . . . 47.3(10) ? H4b O2 Li1 . . 2_555 104.5(7) ? H4c O2 Li1 . . 2_555 127.4(7) ? O3 Li1 O1 . . . 78.30(11) ? O3 Li1 O2 . . 2_545 83.66(11) ? O3 Li1 Ow1 . . 2_555 148.37(17) ? O3 Li1 H1a . . 2_555 145.5(6) ? O3 Li1 Ow2 . . 3_665 106.48(15) ? O3 Li1 H2b' . . 3_665 85.6(17) ? O3 Li1 H2b" . . . 118(2) ? O1 Li1 O2 . . 2_545 139.24(15) ? O1 Li1 Ow1 . . 2_555 93.23(12) ? O1 Li1 H1a . . 2_555 114.3(5) ? O1 Li1 Ow2 . . 3_665 107.41(16) ? O1 Li1 H2b' . . 3_665 99.5(16) ? O1 Li1 H2b" . . . 92.0(17) ? O2 Li1 Ow1 2_545 . 2_555 83.39(12) ? O2 Li1 H1a 2_545 . 2_555 65.8(6) ? O2 Li1 Ow2 2_545 . 3_665 112.69(14) ? O2 Li1 H2b' 2_545 . 3_665 115.3(16) ? O2 Li1 H2b" 2_545 . . 128.7(17) ? Ow1 Li1 H1a 2_555 . 2_555 21.3(5) ? Ow1 Li1 Ow2 2_555 . 3_665 105.13(14) ? Ow1 Li1 H2b' 2_555 . 3_665 126.0(17) ? Ow1 Li1 H2b" 2_555 . . 93(2) ? H1a Li1 Ow2 2_555 . 3_665 100.1(6) ? H1a Li1 H2b' 2_555 . 3_665 121.0(18) ? H1a Li1 H2b" 2_555 . . 95(2) ? Ow2 Li1 H2b' 3_665 . 3_665 21.3(17) ? Ow2 Li1 H2b" 3_665 . . 20.7(18) ? H2b' Li1 H2b" 3_665 . . 35(3) ? Li1 Ow1 H1a 2_545 . . 104.8(14) ? Li1 Ow1 H1b 2_545 . . 117.9(15) ? Li1 Ow1 H2a 2_545 . 4_555 103.0(11) ? H1a Ow1 H1b . . . 107(2) ? H1a Ow1 H2a . . 4_555 119.2(18) ? H1b Ow1 H2a . . 4_555 105.5(17) ? O3 H1a Li1 . . 2_545 123.8(11) ? O3 H1a Ow1 . . . 176(2) ? O3 H1a H1b . . . 142.4(18) ? Li1 H1a Ow1 2_545 . . 53.9(12) ? Li1 H1a H1b 2_545 . . 78.7(14) ? Ow1 H1a H1b . . . 36.1(13) ? O1 H1b Ow1 4_555 . . 168(2) ? O1 H1b H1a 4_555 . . 151.7(18) ? O1 H1b H2a 4_555 . 4_555 115.0(13) ? Ow1 H1b H1a . . . 36.6(13) ? Ow1 H1b H2a . . 4_555 53.7(15) ? H1a H1b H2a . . 4_555 79.7(16) ? Li1 Ow2 H2a 3_665 . . 127(3) ? Li1 Ow2 H2b' 3_665 . . 112(4) ? Li1 Ow2 H2b" 3_665 . . 108(2) ? Li1 Ow2 H2b" 3_665 . 3_665 108(6) ? H2a Ow2 H2b' . . . 96(5) ? H2a Ow2 H2b" . . . 106(3) ? H2a Ow2 H2b" . . 3_665 106(6) ? H2b' Ow2 H2b" . . . 104(5) ? H2b' Ow2 H2b" . . 3_665 104(7) ? H2b" Ow2 H2b" . . 3_665 1(6) ? Ow1 H2a H1b 4_454 . 4_454 20.8(7) ? Ow1 H2a Ow2 4_454 . . 150(4) ? Ow1 H2a H2b' 4_454 . . 110(4) ? Ow1 H2a H2b" 4_454 . 3_665 122(4) ? H1b H2a Ow2 4_454 . . 137(3) ? H1b H2a H2b' 4_454 . . 112(4) ? H1b H2a H2b" 4_454 . 3_665 103(4) ? Ow2 H2a H2b' . . . 46(3) ? Ow2 H2a H2b" . . 3_665 38(4) ? H2b' H2a H2b" . . 3_665 65(5) ? H4c H2b' O1 . . 3_565 79(2) ? H4c H2b' Li1 . . 3_665 93(2) ? H4c H2b' Ow2 . . . 111(5) ? H4c H2b' H2a . . . 142(5) ? H4c H2b' H2b" . . 3_665 84(4) ? O1 H2b' Li1 3_565 . 3_665 169(4) ? O1 H2b' Ow2 3_565 . . 144(6) ? O1 H2b' H2a 3_565 . . 114(4) ? O1 H2b' H2b" 3_565 . 3_665 117(5) ? Li1 H2b' Ow2 3_665 . . 47(3) ? Li1 H2b' H2a 3_665 . . 77(4) ? Li1 H2b' H2b" 3_665 . 3_665 69(4) ? Ow2 H2b' H2a . . . 38(3) ? Ow2 H2b' H2b" . . 3_665 36(4) ? H2a H2b' H2b" . . 3_665 58(4) ? Li1 H2b" Ow2 . . . 129(4) ? Li1 H2b" Ow2 . . 3_665 51(5) ? Li1 H2b" H2a . . 3_665 80(4) ? Li1 H2b" H2b' . . 3_665 76(4) ? Li1 H2b" H2b" . . 3_665 129(7) ? Ow2 H2b" Ow2 . . 3_665 179(7) ? Ow2 H2b" H2a . . 3_665 145(6) ? Ow2 H2b" H2b' . . 3_665 139(5) ? Ow2 H2b" H2b" . . 3_665 0(4) ? Ow2 H2b" H2a 3_665 . 3_665 36(3) ? Ow2 H2b" H2b' 3_665 . 3_665 40(5) ? Ow2 H2b" H2b" 3_665 . 3_665 179(9) ? H2a H2b" H2b' 3_665 . 3_665 57(4) ? H2a H2b" H2b" 3_665 . 3_665 145(8) ? H2b' H2b" H2b" 3_665 . 3_665 139(8) ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag Ow1 H1a O3 . . . 0.90(2) 1.82(2) 2.7222(16) 176(2) ? Ow1 H1b O1 . . 4_555 0.89(2) 1.88(2) 2.7552(16) 168(2) ? Ow2 H2a Ow1 . . 4_454 0.83(4) 2.03(4) 2.7804(19) 150(4) ? Ow2 H2b' O1 . . 3_565 0.98(7) 2.23(7) 3.068(2) 144(6) ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 1207.09 1205.12 21.67 o 4 0 0 950.33 938.88 16.84 o 6 0 0 8.05 5.56 1.45 o 1 1 0 110.91 105.93 1.08 o 2 1 0 5.73 6.41 0.42 o 3 1 0 193.17 194.62 2.65 o 4 1 0 0.26 0.64 0.52 < 5 1 0 46.47 42.83 1.56 o 6 1 0 2.23 2.21 1.47 < 0 2 0 0.15 -0.21 0.23 < 1 2 0 54.70 54.65 0.62 o 2 2 0 5.74 3.64 0.31 o 3 2 0 300.75 318.38 3.75 o 4 2 0 273.84 277.11 4.16 o 5 2 0 5.08 6.72 1.01 o 6 2 0 0.05 1.18 1.62 < 1 3 0 0.69 0.31 0.20 < 2 3 0 19.65 20.99 0.53 o 3 3 0 94.08 98.95 1.25 o 4 3 0 4.67 5.19 0.79 o 5 3 0 7.39 6.05 1.16 o 6 3 0 2.10 0.75 1.81 < 0 4 0 1083.90 1102.75 9.92 o 1 4 0 309.41 280.43 2.20 o 2 4 0 1339.58 1329.30 8.89 o 3 4 0 15.86 15.77 0.62 o 4 4 0 27.98 23.71 0.92 o 5 4 0 46.08 48.33 1.61 o 6 4 0 20.30 25.67 3.01 o 1 5 0 2007.16 2057.45 12.63 o 2 5 0 0.01 0.10 0.29 < 3 5 0 151.11 142.00 1.71 o 4 5 0 3.19 2.06 0.50 o 5 5 0 5.83 5.95 0.88 o 0 6 0 54.76 50.21 1.43 o 1 6 0 3.60 3.87 0.43 o 2 6 0 163.68 155.28 1.87 o 3 6 0 8.80 6.19 0.63 o 4 6 0 360.96 358.04 4.11 o 5 6 0 0.99 0.00 0.88 < 1 7 0 1.82 2.93 0.48 o 2 7 0 4.35 3.89 0.55 o 3 7 0 350.86 366.24 4.03 o 4 7 0 47.56 51.03 1.79 o 5 7 0 25.19 23.14 1.96 o 0 8 0 12.88 9.51 1.11 o 1 8 0 7.81 6.53 0.70 o 2 8 0 44.99 44.84 1.35 o 3 8 0 26.87 27.01 1.30 o 4 8 0 37.02 37.27 1.81 o 1 9 0 141.13 126.00 2.39 o 2 9 0 1.87 3.26 0.83 o 3 9 0 14.55 17.28 1.40 o 4 9 0 19.71 22.60 2.03 o 0 10 0 122.74 118.25 3.85 o 1 10 0 16.87 16.85 1.36 o 2 10 0 95.09 103.71 2.94 o 3 10 0 5.19 5.46 1.45 o 1 11 0 27.04 34.57 2.21 o 2 11 0 4.92 5.74 1.47 o -5 0 1 70.98 68.00 4.59 o -3 0 1 303.34 338.53 10.74 o -1 0 1 12181.89 12301.83 199.01 o 1 0 1 348.82 363.17 2.88 o 3 0 1 807.49 808.61 8.96 o 5 0 1 0.36 0.75 0.63 < -6 1 1 10.86 11.99 1.60 o -5 1 1 23.09 20.68 1.14 o -4 1 1 165.04 170.03 2.97 o -3 1 1 54.69 52.67 1.35 o -2 1 1 1148.24 1096.23 10.10 o -1 1 1 50.31 44.65 0.59 o 1 1 1 46.48 42.84 0.49 o 2 1 1 517.78 548.77 4.69 o 3 1 1 15.52 9.79 0.54 o 4 1 1 0.53 0.83 0.45 < 5 1 1 10.29 9.45 1.08 o 6 1 1 84.87 79.17 2.98 o -6 2 1 14.31 17.56 2.09 o -5 2 1 30.92 28.07 1.50 o -4 2 1 0.30 -0.64 0.57 < -3 2 1 0.06 -0.43 0.39 < -2 2 1 86.93 99.31 1.25 o -1 2 1 29.62 32.54 0.47 o 0 2 1 573.92 537.02 3.58 o 1 2 1 3.27 2.24 0.20 o 2 2 1 187.40 203.21 1.58 o 3 2 1 743.70 765.39 6.62 o 4 2 1 93.05 87.05 1.81 o 5 2 1 0.20 1.43 1.01 < 6 2 1 0.00 -0.05 1.62 < -6 3 1 3.29 4.69 1.75 < -5 3 1 8.67 5.46 1.13 o -4 3 1 416.28 411.07 5.75 o -3 3 1 6.26 3.26 0.38 o -2 3 1 3.99 4.86 0.33 o -1 3 1 688.07 656.88 4.16 o 0 3 1 1175.77 1099.91 7.02 o 1 3 1 1184.28 1192.06 7.07 o 2 3 1 2.08 2.38 0.28 o 3 3 1 527.56 525.63 3.95 o 4 3 1 13.37 15.41 0.68 o 5 3 1 28.19 35.23 1.38 o 6 3 1 0.02 1.35 1.76 < -6 4 1 0.36 1.13 1.52 < -5 4 1 2.23 1.95 0.79 < -4 4 1 75.64 67.88 1.31 o -3 4 1 676.75 661.47 4.93 o -2 4 1 15.09 14.26 0.54 o -1 4 1 251.23 225.25 1.85 o 0 4 1 428.69 409.39 3.12 o 1 4 1 1524.07 1510.34 9.36 o 2 4 1 2.83 3.02 0.35 o 3 4 1 229.34 247.87 2.34 o 4 4 1 47.98 49.51 1.19 o 5 4 1 4.50 3.37 0.86 o 6 4 1 1.71 3.09 1.56 < -5 5 1 0.02 0.11 0.77 < -4 5 1 8.44 6.69 0.62 o -3 5 1 16.09 15.82 0.67 o -2 5 1 27.53 31.43 0.75 o -1 5 1 66.12 66.10 1.03 o 0 5 1 319.99 346.97 2.86 o 1 5 1 269.55 284.21 2.44 o 2 5 1 0.14 0.26 0.30 < 3 5 1 29.40 25.92 0.83 o 4 5 1 0.21 0.73 0.50 < 5 5 1 32.08 28.53 1.46 o -5 6 1 135.63 138.64 3.07 o -4 6 1 1.18 1.46 0.63 < -3 6 1 8.69 8.47 0.65 o -2 6 1 2.63 2.19 0.42 o -1 6 1 304.44 253.63 2.50 o 0 6 1 25.06 22.85 0.78 o 1 6 1 138.89 149.58 1.85 o 2 6 1 53.67 54.74 1.11 o 3 6 1 436.88 430.00 4.13 o 4 6 1 0.72 0.35 0.68 < 5 6 1 41.57 40.49 1.95 o -5 7 1 2.35 3.04 1.31 < -4 7 1 346.42 359.84 4.72 o -3 7 1 30.92 28.04 1.17 o -2 7 1 6.39 7.76 0.65 o -1 7 1 2.43 0.93 0.42 < 0 7 1 205.52 210.08 2.38 o 1 7 1 1.31 1.38 0.48 < 2 7 1 271.62 269.84 2.86 o 3 7 1 0.34 0.05 0.62 < 4 7 1 115.21 110.70 2.58 o 5 7 1 4.45 6.30 1.48 o -4 8 1 9.18 10.05 1.21 o -3 8 1 21.61 18.06 1.12 o -2 8 1 26.94 29.40 1.14 o -1 8 1 8.31 10.65 0.79 o 0 8 1 44.68 39.16 1.28 o 1 8 1 11.97 8.25 0.77 o 2 8 1 243.83 247.52 2.89 o 3 8 1 149.45 161.06 2.62 o 4 8 1 2.55 2.69 1.07 < -4 9 1 11.57 8.53 1.53 o -3 9 1 11.47 9.43 1.21 o -2 9 1 71.14 65.18 1.84 o -1 9 1 58.16 64.30 1.75 o 0 9 1 256.43 238.03 3.18 o 1 9 1 0.03 0.19 0.63 < 2 9 1 8.31 10.77 0.99 o 3 9 1 30.14 36.57 1.87 o 4 9 1 4.23 4.20 1.47 < -3 10 1 9.24 4.89 1.43 o -2 10 1 0.11 0.20 0.94 < -1 10 1 179.64 176.13 3.31 o 0 10 1 74.41 77.81 2.28 o 1 10 1 38.26 37.90 1.82 o 2 10 1 6.73 5.99 1.22 o 3 10 1 62.10 71.00 3.01 o -2 11 1 22.47 21.09 2.10 o -1 11 1 2.91 1.57 1.22 < 0 11 1 2.34 4.11 1.26 o 1 11 1 6.29 11.21 1.72 o 2 11 1 1.67 1.94 1.35 < -2 0 2 8107.07 8324.43 127.92 o 0 0 2 792.57 741.31 7.82 o 2 0 2 1.54 1.99 0.33 o 4 0 2 234.16 220.41 3.67 o 6 0 2 50.84 45.73 3.16 o -6 1 2 7.50 7.33 1.42 o -5 1 2 0.27 -0.08 0.62 < -4 1 2 40.21 43.09 1.28 o -3 1 2 3.47 5.89 0.58 o -2 1 2 280.11 276.96 2.96 o -1 1 2 6918.31 6750.23 39.04 o 0 1 2 46.34 32.38 0.48 o 1 1 2 92.78 100.88 0.86 o 2 1 2 57.99 61.07 0.72 o 3 1 2 22.31 21.92 0.62 o 4 1 2 0.81 1.03 0.40 < 5 1 2 27.20 28.31 1.06 o 6 1 2 4.18 4.78 1.22 o -6 2 2 4.11 2.63 1.41 < -5 2 2 0.14 -0.16 0.73 < -4 2 2 14.26 16.65 1.06 o -3 2 2 237.05 231.54 2.97 o -2 2 2 6.68 10.09 0.39 o -1 2 2 1181.03 1136.66 6.72 o 0 2 2 183.39 183.19 1.55 o 1 2 2 1489.75 1393.70 8.08 o 2 2 2 2282.78 2326.58 14.72 o 3 2 2 69.46 62.74 1.01 o 4 2 2 143.80 139.12 1.80 o 5 2 2 6.95 6.58 0.74 o 6 2 2 7.97 8.30 1.41 o -6 3 2 1.70 1.60 1.60 < -5 3 2 106.34 100.71 3.13 o -4 3 2 1.45 -0.15 0.63 < -3 3 2 119.40 125.14 1.46 o -2 3 2 0.47 0.14 0.23 < -1 3 2 561.86 536.30 3.47 o 0 3 2 419.64 416.00 3.12 o 1 3 2 904.64 904.96 5.70 o 2 3 2 8.24 7.32 0.42 o 3 3 2 63.43 69.55 1.09 o 4 3 2 19.72 19.40 0.81 o 5 3 2 21.56 22.10 1.12 o 6 3 2 0.15 0.42 1.23 < -6 4 2 0.48 1.37 1.75 < -5 4 2 0.88 0.55 0.79 < -4 4 2 10.14 7.74 0.64 o -3 4 2 0.47 0.29 0.35 < -2 4 2 309.32 323.56 2.80 o -1 4 2 365.67 344.20 2.62 o 0 4 2 57.34 53.82 0.86 o 1 4 2 143.98 139.78 1.38 o 2 4 2 110.83 118.15 1.38 o 3 4 2 57.39 59.81 1.11 o 4 4 2 34.89 36.29 1.14 o 5 4 2 0.51 0.93 0.82 < 6 4 2 27.80 29.14 2.29 o -5 5 2 2.87 3.85 0.87 o -4 5 2 15.56 20.07 0.86 o -3 5 2 139.49 140.68 1.74 o -2 5 2 16.60 20.07 0.65 o -1 5 2 771.56 835.88 5.52 o 0 5 2 58.71 50.45 0.91 o 1 5 2 1.30 0.38 0.30 < 2 5 2 31.39 32.09 0.83 o 3 5 2 98.79 95.76 1.52 o 4 5 2 2.42 1.61 0.59 < 5 5 2 0.80 0.30 0.84 < -5 6 2 29.39 34.39 1.75 o -4 6 2 4.27 3.38 0.69 o -3 6 2 38.51 36.74 1.09 o -2 6 2 42.18 45.57 1.02 o -1 6 2 174.06 169.61 2.03 o 0 6 2 352.70 363.12 3.25 o 1 6 2 178.76 174.36 2.09 o 2 6 2 337.72 330.80 3.14 o 3 6 2 8.84 6.93 0.69 o 4 6 2 4.07 3.23 0.84 o 5 6 2 3.80 6.16 1.11 o -5 7 2 120.00 116.84 3.31 o -4 7 2 46.24 44.44 1.64 o -3 7 2 9.54 8.11 0.79 o -2 7 2 72.28 73.21 1.45 o -1 7 2 152.40 149.51 1.99 o 0 7 2 211.57 228.56 2.72 o 1 7 2 88.25 83.17 1.62 o 2 7 2 39.78 43.06 1.21 o 3 7 2 639.46 650.74 6.54 o 4 7 2 37.49 38.60 1.82 o 5 7 2 1.79 2.86 1.30 < -4 8 2 12.94 9.97 1.18 o -3 8 2 8.37 9.89 0.99 o -2 8 2 13.65 9.25 0.81 o -1 8 2 0.87 0.42 0.52 < 0 8 2 42.90 34.58 1.26 o 1 8 2 38.00 40.79 1.32 o 2 8 2 122.35 123.15 2.18 o 3 8 2 5.65 6.28 0.93 o 4 8 2 0.01 -0.52 1.06 < -4 9 2 0.10 1.60 1.27 < -3 9 2 10.59 8.01 1.16 o -2 9 2 66.15 57.39 1.76 o -1 9 2 267.77 262.37 3.67 o 0 9 2 0.04 0.05 0.62 < 1 9 2 20.65 19.82 1.16 o 2 9 2 56.09 53.60 1.85 o 3 9 2 37.89 36.57 2.00 o 4 9 2 0.02 1.36 1.33 < -3 10 2 0.66 0.88 1.28 < -2 10 2 19.15 16.70 1.55 o -1 10 2 10.40 10.24 1.21 o 0 10 2 10.36 11.56 1.19 o 1 10 2 0.71 1.02 0.92 < 2 10 2 39.92 39.80 2.23 o 3 10 2 1.55 1.07 1.31 < -2 11 2 21.18 18.62 1.92 o -1 11 2 0.38 0.68 1.21 < 0 11 2 16.62 20.44 1.82 o 1 11 2 15.81 15.18 1.81 o 2 11 2 10.91 10.69 1.75 o -5 0 3 0.02 0.29 0.69 < -3 0 3 131.46 144.45 2.42 o -1 0 3 4037.04 4133.42 31.68 o 1 0 3 370.21 368.85 3.12 o 3 0 3 253.80 244.52 3.26 o 5 0 3 332.01 332.52 5.82 o -6 1 3 13.79 12.15 1.62 o -5 1 3 1.81 1.80 0.65 < -4 1 3 95.28 89.82 1.95 o -3 1 3 1.22 0.39 0.33 < -2 1 3 2192.66 2257.65 14.48 o -1 1 3 8.04 4.97 0.25 o 0 1 3 11.51 13.02 0.36 o 1 1 3 59.44 62.78 0.70 o 2 1 3 667.51 674.37 4.19 o 3 1 3 17.48 19.03 0.60 o 4 1 3 61.41 63.83 1.25 o 5 1 3 5.73 6.26 0.79 o 6 1 3 86.28 89.15 3.31 o -6 2 3 0.87 0.20 1.18 < -5 2 3 186.35 178.88 3.71 o -4 2 3 1.51 2.38 0.62 o -3 2 3 433.24 436.30 4.49 o -2 2 3 216.93 234.94 1.96 o -1 2 3 2082.94 2083.26 12.20 o 0 2 3 554.93 550.34 3.77 o 1 2 3 3705.48 3696.94 20.99 o 2 2 3 103.73 107.57 1.07 o 3 2 3 580.29 606.18 4.21 o 4 2 3 0.39 0.25 0.44 < 5 2 3 9.18 10.18 0.99 o 6 2 3 0.24 1.43 1.19 < -6 3 3 14.41 12.38 2.19 o -5 3 3 2.57 4.34 1.16 o -4 3 3 140.29 131.30 2.59 o -3 3 3 237.76 226.40 2.13 o -2 3 3 4.38 7.64 0.42 o -1 3 3 415.34 406.81 2.91 o 0 3 3 3661.97 3623.50 21.90 o 1 3 3 609.87 639.08 4.28 o 2 3 3 75.98 96.34 1.08 o 3 3 3 0.36 -0.03 0.31 < 4 3 3 270.46 271.98 2.99 o 5 3 3 0.71 0.52 0.74 < 6 3 3 2.01 1.18 1.32 < -6 4 3 4.52 5.95 1.80 o -5 4 3 0.19 0.29 0.81 < -4 4 3 7.63 7.50 0.62 o -3 4 3 7.27 8.44 0.53 o -2 4 3 3.29 1.92 0.33 o -1 4 3 213.78 224.67 1.90 o 0 4 3 27.92 30.07 0.69 o 1 4 3 59.95 67.18 1.02 o 2 4 3 11.32 8.10 0.47 o 3 4 3 39.94 37.01 0.96 o 4 4 3 0.45 0.97 0.53 < 5 4 3 30.02 29.55 1.52 o -5 5 3 15.17 12.08 1.07 o -4 5 3 0.01 -0.36 0.48 < -3 5 3 52.85 55.17 1.19 o -2 5 3 261.28 283.61 2.55 o -1 5 3 109.10 110.19 1.40 o 0 5 3 108.79 116.05 1.41 o 1 5 3 10.38 9.97 0.57 o 2 5 3 38.75 34.87 0.86 o 3 5 3 0.07 0.21 0.47 < 4 5 3 80.66 82.11 1.74 o 5 5 3 12.88 11.58 1.27 o -5 6 3 106.98 108.10 2.63 o -4 6 3 0.30 0.47 0.64 < -3 6 3 5.39 4.82 0.60 o -2 6 3 8.63 8.09 0.58 o -1 6 3 49.36 44.09 1.03 o 0 6 3 1.61 1.03 0.40 < 1 6 3 10.75 11.37 0.64 o 2 6 3 30.66 29.82 0.92 o 3 6 3 0.45 1.12 0.58 < 4 6 3 25.28 28.63 1.50 o 5 6 3 22.69 23.41 1.69 o -5 7 3 6.15 3.58 1.26 < -4 7 3 51.79 55.65 1.79 o -3 7 3 0.04 0.05 0.58 < -2 7 3 299.05 308.65 3.17 o -1 7 3 0.49 1.23 0.49 < 0 7 3 38.95 35.96 1.18 o 1 7 3 71.63 76.64 1.62 o 2 7 3 1172.43 1149.57 9.13 o 3 7 3 13.99 10.05 0.94 o 4 7 3 2.99 2.58 0.97 < -4 8 3 1.39 1.69 0.97 < -3 8 3 32.41 32.30 1.45 o -2 8 3 38.57 40.85 1.33 o -1 8 3 51.57 45.26 1.38 o 0 8 3 77.28 67.94 1.71 o 1 8 3 6.08 5.13 0.72 o 2 8 3 1.04 0.97 0.63 < 3 8 3 0.80 2.16 0.88 < 4 8 3 5.64 6.36 1.35 o -4 9 3 4.90 6.15 1.50 o -3 9 3 22.04 24.52 1.65 o -2 9 3 227.78 219.10 3.28 o -1 9 3 22.40 21.77 1.19 o 0 9 3 17.20 18.28 1.14 o 1 9 3 2.01 1.91 0.74 < 2 9 3 35.63 36.94 1.69 o 3 9 3 6.89 8.63 1.37 o -3 10 3 0.21 0.53 1.31 < -2 10 3 8.21 6.83 1.26 o -1 10 3 2.20 0.82 0.96 < 0 10 3 7.57 5.66 1.03 o 1 10 3 8.54 6.58 1.22 o 2 10 3 0.27 1.12 1.16 < 3 10 3 1.16 0.49 1.40 < -2 11 3 4.05 3.77 1.43 < -1 11 3 0.19 -0.25 1.22 < 0 11 3 19.54 15.19 1.72 o 1 11 3 0.07 0.65 1.28 < -6 0 4 2.69 0.79 1.22 < -4 0 4 38.00 44.53 1.23 o -2 0 4 1694.15 1720.81 15.60 o 0 0 4 3947.69 3903.50 32.58 o 2 0 4 13.96 8.00 0.48 o 4 0 4 23.96 25.82 1.18 o 6 0 4 61.23 63.28 4.28 o -6 1 4 0.75 -0.04 1.21 < -5 1 4 8.99 6.75 0.88 o 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-0.18 0.45 < -3 4 4 15.81 14.52 0.65 o -2 4 4 645.55 673.29 4.89 o -1 4 4 182.65 187.66 1.80 o 0 4 4 476.67 439.16 3.40 o 1 4 4 0.34 0.82 0.31 < 2 4 4 28.52 26.84 0.75 o 3 4 4 0.30 0.39 0.40 < 4 4 4 10.37 10.65 0.79 o 5 4 4 0.63 0.01 0.87 < -5 5 4 3.39 3.25 0.88 o -4 5 4 0.58 1.12 0.53 < -3 5 4 20.95 26.55 0.91 o -2 5 4 61.21 64.72 1.12 o -1 5 4 13.02 8.05 0.52 o 0 5 4 156.06 156.27 1.82 o 1 5 4 202.27 193.13 2.14 o 2 5 4 55.06 63.21 1.19 o 3 5 4 6.40 7.14 0.68 o 4 5 4 5.61 7.71 0.84 o 5 5 4 27.88 21.95 1.53 o -5 6 4 0.90 0.98 0.92 < -4 6 4 97.17 98.79 2.28 o -3 6 4 16.56 20.89 0.99 o -2 6 4 2.94 4.06 0.52 o -1 6 4 60.27 58.84 1.22 o 0 6 4 2.18 3.37 0.48 o 1 6 4 76.23 74.49 1.43 o 2 6 4 393.84 377.50 3.53 o 3 6 4 82.00 83.46 1.85 o 4 6 4 23.57 22.74 1.28 o 5 6 4 7.70 8.25 1.42 o -5 7 4 20.83 16.20 1.64 o -4 7 4 0.85 0.79 0.78 < -3 7 4 48.56 43.81 1.42 o -2 7 4 0.35 0.25 0.48 < -1 7 4 14.77 14.79 0.87 o 0 7 4 139.89 143.71 2.19 o 1 7 4 1594.14 1577.69 12.01 o 2 7 4 6.86 4.24 0.63 o 3 7 4 0.59 0.72 0.69 < 4 7 4 48.63 48.17 2.08 o -4 8 4 2.94 3.66 1.04 o -3 8 4 0.58 0.15 0.73 < -2 8 4 0.22 0.44 0.63 < -1 8 4 19.36 22.69 1.13 o 0 8 4 11.31 11.12 0.87 o 1 8 4 4.42 4.67 0.72 o 2 8 4 112.62 120.25 2.29 o 3 8 4 20.34 21.63 1.50 o 4 8 4 5.37 4.40 1.31 o -4 9 4 12.96 13.02 1.75 o -3 9 4 112.65 113.27 2.92 o -2 9 4 0.03 1.06 0.81 < -1 9 4 33.94 33.42 1.53 o 0 9 4 0.04 -0.09 0.67 < 1 9 4 59.36 63.44 1.96 o 2 9 4 6.89 5.64 1.07 o 3 9 4 11.52 10.35 1.64 o -3 10 4 13.40 10.77 1.75 o -2 10 4 74.66 74.20 2.74 o -1 10 4 1.44 1.85 1.04 < 0 10 4 10.17 10.10 1.28 o 1 10 4 39.44 43.55 2.30 o 2 10 4 53.96 58.73 2.73 o -1 11 4 18.73 17.94 1.94 o 0 11 4 0.27 -0.63 1.21 < 1 11 4 31.78 40.36 2.59 o -5 0 5 24.92 27.16 1.32 o -3 0 5 2930.48 2981.38 32.40 o -1 0 5 3.02 4.05 0.42 o 1 0 5 4221.06 4199.65 31.61 o 3 0 5 161.79 158.78 2.21 o 5 0 5 380.05 380.54 7.45 o -6 1 5 3.75 2.11 1.11 < -5 1 5 8.94 7.57 0.68 o -4 1 5 176.62 173.83 2.19 o -3 1 5 99.03 96.34 1.37 o -2 1 5 321.47 327.12 2.40 o -1 1 5 11.05 8.63 0.38 o 0 1 5 30.23 32.19 0.65 o 1 1 5 25.48 24.50 0.54 o 2 1 5 101.62 117.77 1.23 o 3 1 5 56.61 57.33 0.96 o 4 1 5 142.77 146.60 2.11 o 5 1 5 4.21 4.53 0.93 o -6 2 5 6.76 9.01 2.18 o -5 2 5 18.52 17.45 1.02 o -4 2 5 0.00 -0.23 0.36 < -3 2 5 90.25 92.31 1.16 o -2 2 5 152.92 154.16 1.45 o -1 2 5 18.28 21.09 0.55 o 0 2 5 2.18 0.26 0.24 < 1 2 5 718.64 740.36 4.82 o 2 2 5 20.40 23.19 0.64 o 3 2 5 72.15 74.09 1.16 o 4 2 5 21.40 20.28 0.88 o 5 2 5 0.94 1.06 0.84 < -6 3 5 0.03 -0.72 1.46 < -5 3 5 0.34 0.30 0.74 < -4 3 5 2.43 2.52 0.47 o -3 3 5 1.55 1.08 0.35 o -2 3 5 120.67 113.75 1.28 o -1 3 5 11.63 12.65 0.50 o 0 3 5 507.53 505.71 3.95 o 1 3 5 63.25 69.09 1.06 o 2 3 5 29.09 26.18 0.69 o 3 3 5 78.71 75.70 1.32 o 4 3 5 141.55 128.59 1.99 o 5 3 5 10.34 10.00 1.17 o -6 4 5 3.82 3.18 1.55 < -5 4 5 12.43 14.10 1.13 o -4 4 5 173.67 167.76 2.38 o -3 4 5 465.75 484.35 4.25 o -2 4 5 109.50 111.61 1.38 o -1 4 5 426.67 415.60 3.43 o 0 4 5 310.01 302.51 2.74 o 1 4 5 257.69 266.02 2.73 o 2 4 5 1.38 1.09 0.38 < 3 4 5 233.65 243.55 2.74 o 4 4 5 1.46 0.87 0.62 < 5 4 5 7.92 6.30 1.08 o -5 5 5 0.75 0.93 0.84 < -4 5 5 31.45 31.70 1.17 o -3 5 5 25.92 23.86 0.96 o -2 5 5 245.72 244.06 2.40 o -1 5 5 50.87 52.33 1.08 o 0 5 5 110.38 107.93 1.57 o 1 5 5 225.64 238.70 2.58 o 2 5 5 126.27 128.08 1.85 o 3 5 5 9.05 9.79 0.79 o 4 5 5 122.75 119.49 2.44 o 5 5 5 41.07 39.51 2.10 o -5 6 5 7.14 4.59 1.26 o -4 6 5 4.29 4.49 0.89 o -3 6 5 0.53 0.78 0.59 < -2 6 5 5.73 7.70 0.63 o -1 6 5 236.10 235.97 2.63 o 0 6 5 12.04 11.71 0.70 o 1 6 5 479.95 466.62 4.52 o 2 6 5 81.71 76.74 1.55 o 3 6 5 129.93 129.03 2.45 o 4 6 5 0.10 -0.11 0.79 < 5 6 5 6.09 7.19 1.96 o -5 7 5 0.20 1.04 1.21 < -4 7 5 5.84 5.90 1.02 o -3 7 5 7.94 10.02 0.97 o -2 7 5 0.03 -0.35 0.52 < -1 7 5 84.60 80.71 1.67 o 0 7 5 658.36 636.44 6.11 o 1 7 5 5.77 5.60 0.69 o 2 7 5 0.87 0.69 0.55 < 3 7 5 0.28 -0.40 0.69 < 4 7 5 9.80 6.72 1.26 o -4 8 5 0.90 1.04 1.13 < -3 8 5 12.18 7.26 1.04 o -2 8 5 19.68 17.48 1.13 o -1 8 5 18.91 17.66 1.04 o 0 8 5 1.65 0.44 0.62 < 1 8 5 141.53 137.53 2.40 o 2 8 5 87.66 86.98 2.13 o 3 8 5 30.37 36.06 1.86 o 4 8 5 4.53 3.18 1.37 < -3 9 5 29.01 33.62 2.20 o -2 9 5 33.93 31.72 1.70 o -1 9 5 87.03 95.86 2.34 o 0 9 5 36.32 39.51 1.62 o 1 9 5 11.93 15.22 1.22 o 2 9 5 20.91 20.93 1.65 o 3 9 5 2.72 1.84 1.36 < -2 10 5 0.40 0.93 1.18 < -1 10 5 60.79 61.48 2.59 o 0 10 5 70.28 73.04 2.86 o 1 10 5 70.79 73.75 2.92 o 2 10 5 6.94 4.52 1.45 o -1 11 5 0.35 0.29 1.40 < 0 11 5 1.13 3.84 1.40 < -6 0 6 3.82 3.11 1.60 < -4 0 6 967.14 965.27 13.03 o -2 0 6 28.88 21.72 0.77 o 0 0 6 2868.03 2839.94 23.01 o 2 0 6 132.81 125.48 2.05 o 4 0 6 1436.56 1458.90 16.67 o -6 1 6 11.73 14.67 1.55 o -5 1 6 1.16 1.43 0.63 < -4 1 6 22.19 23.16 0.91 o -3 1 6 1.57 3.01 0.44 o -2 1 6 180.40 182.18 1.65 o -1 1 6 1461.18 1479.60 9.07 o 0 1 6 14.34 15.02 0.54 o 1 1 6 1000.48 1015.46 6.26 o 2 1 6 83.00 89.58 1.17 o 3 1 6 21.51 24.13 0.69 o 4 1 6 10.58 9.09 0.79 o 5 1 6 3.64 3.86 0.98 o -6 2 6 8.66 4.98 1.26 o -5 2 6 13.49 14.39 0.98 o -4 2 6 34.49 32.38 1.01 o -3 2 6 60.06 61.27 1.02 o -2 2 6 42.78 45.78 0.81 o -1 2 6 67.64 62.16 0.97 o 0 2 6 1186.89 1224.08 8.13 o 1 2 6 279.95 274.41 2.39 o 2 2 6 14.52 16.68 0.62 o 3 2 6 37.67 37.76 0.88 o 4 2 6 1.40 1.19 0.59 < 5 2 6 8.36 7.51 1.17 o -6 3 6 5.69 6.49 1.38 o -5 3 6 0.48 0.54 0.69 < -4 3 6 6.84 5.97 0.67 o -3 3 6 6.39 6.09 0.52 o -2 3 6 13.06 15.71 0.59 o -1 3 6 52.73 58.98 1.03 o 0 3 6 163.11 168.74 1.91 o 1 3 6 21.96 31.16 0.81 o 2 3 6 68.94 60.75 1.11 o 3 3 6 47.77 44.17 1.01 o 4 3 6 56.53 55.18 1.48 o 5 3 6 0.60 0.93 1.07 < -5 4 6 0.34 0.16 0.74 < -4 4 6 62.62 56.06 1.48 o -3 4 6 42.96 44.70 1.12 o -2 4 6 750.03 726.94 5.23 o -1 4 6 30.27 31.29 0.87 o 0 4 6 13.88 14.89 0.69 o 1 4 6 7.78 10.26 0.62 o 2 4 6 572.33 591.69 4.77 o 3 4 6 3.87 1.62 0.52 o 4 4 6 63.52 58.60 1.60 o 5 4 6 7.12 5.81 1.23 o -5 5 6 12.67 12.18 1.25 o -4 5 6 12.41 14.35 0.98 o -3 5 6 114.85 121.75 2.00 o -2 5 6 0.29 1.21 0.43 < -1 5 6 15.55 14.97 0.72 o 0 5 6 76.64 70.82 1.38 o 1 5 6 105.12 87.57 1.65 o 2 5 6 44.96 43.62 1.18 o 3 5 6 313.65 294.43 3.42 o 4 5 6 17.49 15.23 1.19 o 5 5 6 46.67 46.39 2.49 o -5 6 6 26.22 30.24 1.99 o -4 6 6 22.37 22.19 1.32 o -3 6 6 18.53 15.38 1.03 o -2 6 6 1.97 1.12 0.49 < -1 6 6 14.36 13.99 0.83 o 0 6 6 1424.23 1421.11 10.75 o 1 6 6 65.33 64.34 1.52 o 2 6 6 23.02 18.54 0.93 o 3 6 6 0.05 0.60 0.64 < 4 6 6 16.89 16.93 1.52 o -4 7 6 6.96 5.46 1.14 o -3 7 6 37.19 39.06 1.62 o -2 7 6 53.24 46.30 1.51 o -1 7 6 460.46 483.66 4.82 o 0 7 6 17.87 14.45 0.92 o 1 7 6 241.30 231.72 3.18 o 2 7 6 1.03 1.47 0.64 < 3 7 6 10.84 9.36 1.14 o 4 7 6 1.08 0.79 1.12 < -4 8 6 5.20 5.76 1.36 o -3 8 6 25.96 25.27 1.51 o -2 8 6 12.78 14.78 1.11 o -1 8 6 22.10 15.30 1.07 o 0 8 6 184.86 189.04 2.86 o 1 8 6 1.31 1.76 0.70 < 2 8 6 31.37 31.66 1.61 o 3 8 6 24.46 26.65 2.01 o -3 9 6 51.62 52.28 2.58 o -2 9 6 20.98 16.30 1.53 o -1 9 6 23.36 24.85 1.62 o 0 9 6 3.57 3.70 0.97 o 1 9 6 19.03 16.31 1.48 o 2 9 6 3.70 1.74 1.14 < 3 9 6 60.28 73.94 3.33 o -2 10 6 23.20 23.72 2.00 o -1 10 6 23.34 26.23 2.01 o 0 10 6 81.01 89.42 3.17 o 1 10 6 3.86 4.57 1.40 o 2 10 6 33.24 38.97 2.69 o -5 0 7 332.14 326.08 6.60 o -3 0 7 209.49 214.23 3.36 o -1 0 7 1354.12 1335.22 12.18 o 1 0 7 0.51 -0.05 0.40 < 3 0 7 965.20 979.38 9.82 o 5 0 7 39.66 39.57 2.70 o -6 1 7 1.12 2.08 1.17 < -5 1 7 0.06 -0.34 0.69 < -4 1 7 172.11 163.04 2.47 o -3 1 7 23.59 23.65 0.74 o -2 1 7 110.25 119.39 1.38 o -1 1 7 6.03 7.22 0.47 o 0 1 7 64.22 81.19 1.18 o 1 1 7 330.06 319.26 2.65 o 2 1 7 0.52 0.81 0.35 < 3 1 7 0.29 -0.04 0.39 < 4 1 7 8.88 8.18 0.87 o 5 1 7 11.67 15.38 1.45 o -6 2 7 0.61 0.99 1.18 < -5 2 7 18.99 20.19 1.26 o -4 2 7 18.29 18.14 0.98 o -3 2 7 120.99 117.77 1.53 o -2 2 7 53.44 50.01 0.96 o -1 2 7 137.01 134.15 1.56 o 0 2 7 8.37 9.21 0.57 o 1 2 7 20.61 17.11 0.68 o 2 2 7 30.00 34.12 0.86 o 3 2 7 0.24 0.64 0.40 < 4 2 7 0.43 0.39 0.60 < 5 2 7 5.43 6.87 1.28 o -5 3 7 4.00 4.48 0.88 o -4 3 7 123.78 129.04 2.19 o -3 3 7 0.69 0.54 0.42 < -2 3 7 52.17 51.19 1.01 o -1 3 7 12.60 10.89 0.59 o 0 3 7 671.60 710.80 5.70 o 1 3 7 34.36 33.65 0.89 o 2 3 7 0.79 0.52 0.42 < 3 3 7 17.77 16.01 0.75 o 4 3 7 15.33 16.00 1.01 o 5 3 7 4.59 3.06 1.25 < -5 4 7 26.92 26.39 1.56 o -4 4 7 4.45 4.09 0.65 o -3 4 7 54.04 48.41 1.21 o -2 4 7 10.79 15.06 0.72 o -1 4 7 8.82 8.93 0.58 o 0 4 7 292.41 306.94 3.08 o 1 4 7 466.25 452.82 3.92 o 2 4 7 97.23 92.43 1.60 o 3 4 7 62.44 50.39 1.32 o 4 4 7 87.15 90.99 2.14 o 5 4 7 17.73 15.14 1.79 o -5 5 7 0.27 1.04 1.03 < -4 5 7 90.11 96.70 2.25 o -3 5 7 0.00 0.19 0.52 < -2 5 7 37.34 39.60 1.11 o -1 5 7 48.05 46.19 1.26 o 0 5 7 22.42 21.28 0.93 o 1 5 7 70.94 58.90 1.53 o 2 5 7 58.59 46.23 1.30 o 3 5 7 19.33 24.38 1.16 o 4 5 7 2.96 1.25 0.94 < -5 6 7 1.78 1.56 1.23 < -4 6 7 0.02 1.02 0.79 < -3 6 7 69.13 66.98 1.81 o -2 6 7 0.04 0.45 0.53 < -1 6 7 365.35 355.76 3.85 o 0 6 7 5.18 4.83 0.67 o 1 6 7 29.30 30.77 1.22 o 2 6 7 3.09 3.95 0.70 o 3 6 7 4.95 5.33 0.84 o 4 6 7 3.01 2.86 1.18 < -4 7 7 0.58 1.11 0.97 < -3 7 7 0.09 1.02 0.82 < -2 7 7 9.38 5.57 0.82 o -1 7 7 2.84 1.82 0.65 < 0 7 7 313.43 310.16 3.80 o 1 7 7 75.03 80.63 1.94 o 2 7 7 3.48 3.80 0.81 o 3 7 7 8.87 9.81 1.16 o 4 7 7 10.38 10.94 1.77 o -4 8 7 0.57 0.39 1.16 < -3 8 7 1.13 1.61 1.02 < -2 8 7 30.87 31.82 1.62 o -1 8 7 163.92 159.57 2.75 o 0 8 7 2.29 2.26 0.74 o 1 8 7 0.40 1.02 0.75 < 2 8 7 15.12 14.63 1.43 o 3 8 7 0.72 2.79 1.28 < -3 9 7 4.39 4.97 1.42 o -2 9 7 9.17 8.43 1.45 o -1 9 7 49.99 55.92 2.45 o 0 9 7 33.71 35.89 2.04 o 1 9 7 12.78 12.29 1.47 o 2 9 7 65.71 71.71 2.98 o -2 10 7 4.93 4.92 1.51 o -1 10 7 48.55 53.48 2.75 o 0 10 7 3.33 4.15 1.38 < 1 10 7 4.13 5.27 1.51 o -6 0 8 53.28 40.95 3.51 o -4 0 8 150.63 151.12 3.60 o -2 0 8 84.75 82.68 1.74 o 0 0 8 122.90 120.49 2.21 o 2 0 8 1209.36 1212.80 11.03 o 4 0 8 4.79 5.23 1.25 o -6 1 8 0.04 -2.01 1.87 < -5 1 8 19.97 16.64 1.27 o -4 1 8 12.25 10.82 0.87 o -3 1 8 167.55 170.90 1.90 o -2 1 8 73.09 69.85 1.17 o -1 1 8 13.80 12.72 0.62 o 0 1 8 9.21 7.75 0.53 o 1 1 8 11.93 12.11 0.62 o 2 1 8 44.42 41.86 1.06 o 3 1 8 417.92 397.78 3.64 o 4 1 8 0.03 0.34 0.72 < 5 1 8 0.74 0.57 1.14 < -5 2 8 0.01 -0.14 0.79 < -4 2 8 0.18 0.54 0.62 < -3 2 8 2.38 2.08 0.47 o -2 2 8 240.68 243.48 2.42 o -1 2 8 38.49 30.77 0.88 o 0 2 8 138.90 139.59 1.87 o 1 2 8 8.48 8.84 0.59 o 2 2 8 25.90 23.61 0.83 o 3 2 8 0.43 1.51 0.49 o 4 2 8 25.52 26.65 1.30 o 5 2 8 2.44 2.01 1.30 < -5 3 8 21.59 22.05 1.51 o -4 3 8 1.61 1.87 0.64 < -3 3 8 22.26 18.01 0.83 o -2 3 8 132.47 127.90 1.72 o -1 3 8 297.81 320.00 3.02 o 0 3 8 78.78 71.48 1.43 o 1 3 8 232.46 243.69 2.73 o 2 3 8 104.23 95.73 1.56 o 3 3 8 24.22 19.40 0.92 o 4 3 8 0.45 1.28 0.79 < 5 3 8 11.90 15.08 1.94 o -5 4 8 0.45 0.86 0.96 < -4 4 8 2.69 2.49 0.70 o -3 4 8 9.88 9.03 0.74 o -2 4 8 7.78 8.02 0.63 o -1 4 8 0.45 0.92 0.44 < 0 4 8 23.41 24.36 0.98 o 1 4 8 4.72 4.26 0.58 o 2 4 8 117.31 96.41 1.81 o 3 4 8 13.27 11.47 0.88 o 4 4 8 0.47 0.39 0.92 < -5 5 8 26.99 21.80 1.72 o -4 5 8 2.31 1.82 0.78 < -3 5 8 9.00 5.23 0.75 o -2 5 8 2.51 2.40 0.55 o -1 5 8 4.11 1.74 0.52 o 0 5 8 85.64 81.28 1.70 o 1 5 8 105.08 92.41 1.90 o 2 5 8 1.16 1.51 0.62 < 3 5 8 77.27 67.73 1.79 o 4 5 8 2.44 3.91 1.16 o -4 6 8 2.14 1.37 0.97 < -3 6 8 23.46 21.43 1.25 o -2 6 8 219.76 234.16 3.03 o -1 6 8 40.33 35.46 1.30 o 0 6 8 2.80 3.72 0.65 o 1 6 8 13.10 12.98 0.96 o 2 6 8 45.50 39.71 1.43 o 3 6 8 12.04 9.62 1.12 o 4 6 8 19.03 19.06 1.96 o -4 7 8 5.76 5.71 1.23 o -3 7 8 8.77 9.50 1.18 o -2 7 8 0.77 0.74 0.73 < -1 7 8 594.30 621.20 5.99 o 0 7 8 114.38 116.85 2.35 o 1 7 8 8.39 7.90 0.91 o 2 7 8 21.21 20.62 1.35 o 3 7 8 40.43 41.12 2.31 o -3 8 8 39.17 33.09 2.06 o -2 8 8 38.69 41.19 1.96 o -1 8 8 22.80 25.50 1.55 o 0 8 8 2.52 2.44 0.91 < 1 8 8 44.72 50.98 2.19 o 2 8 8 21.93 25.71 1.84 o 3 8 8 8.58 8.14 1.67 o -2 9 8 3.67 4.53 1.32 o -1 9 8 24.29 27.45 2.00 o 0 9 8 0.32 1.22 1.18 < 1 9 8 25.67 28.34 2.19 o 2 9 8 26.99 22.94 2.21 o -1 10 8 7.37 6.69 1.72 o 0 10 8 1.26 2.09 1.35 < -5 0 9 207.06 196.59 5.32 o -3 0 9 2.33 2.25 0.64 o -1 0 9 31.25 33.90 1.38 o 1 0 9 104.23 98.25 2.20 o 3 0 9 37.19 35.12 1.58 o -5 1 9 2.23 0.50 0.91 < -4 1 9 0.48 0.06 0.63 < -3 1 9 48.66 47.92 1.08 o -2 1 9 1.12 0.05 0.39 < -1 1 9 51.26 45.13 1.11 o 0 1 9 26.60 26.88 0.89 o 1 1 9 50.35 50.16 1.19 o 2 1 9 447.75 437.60 4.00 o 3 1 9 6.49 6.01 0.73 o 4 1 9 24.64 28.73 1.46 o -5 2 9 0.00 0.72 0.96 < -4 2 9 1.32 1.74 0.73 < -3 2 9 120.77 118.53 1.72 o -2 2 9 0.51 1.47 0.44 o -1 2 9 577.35 601.30 4.86 o 0 2 9 8.82 7.23 0.59 o 1 2 9 166.97 157.20 2.11 o 2 2 9 26.60 28.51 1.02 o 3 2 9 161.42 169.93 2.47 o 4 2 9 8.61 7.42 1.04 o -5 3 9 0.47 1.06 0.99 < -4 3 9 18.19 22.13 1.16 o -3 3 9 0.66 0.40 0.52 < -2 3 9 94.34 92.11 1.55 o -1 3 9 0.10 0.86 0.45 < 0 3 9 549.42 537.19 5.08 o 1 3 9 36.16 30.23 1.09 o 2 3 9 8.48 7.53 0.70 o 3 3 9 11.37 10.63 0.88 o 4 3 9 95.44 93.76 2.48 o -5 4 9 17.28 18.55 1.67 o -4 4 9 46.69 49.62 1.69 o -3 4 9 12.44 11.27 0.84 o -2 4 9 104.42 106.69 1.81 o -1 4 9 16.10 20.26 0.96 o 0 4 9 86.48 86.27 1.81 o 1 4 9 4.17 1.79 0.55 o 2 4 9 53.85 61.32 1.62 o 3 4 9 21.83 17.97 1.12 o 4 4 9 0.28 -0.10 0.99 < -5 5 9 0.01 -0.33 1.22 < -4 5 9 17.83 18.63 1.35 o -3 5 9 3.50 2.59 0.70 o -2 5 9 6.76 5.81 0.70 o -1 5 9 1.93 2.10 0.62 o 0 5 9 0.27 0.44 0.53 < 1 5 9 0.37 0.10 0.58 < 2 5 9 32.63 21.77 1.19 o 3 5 9 7.95 6.97 1.07 o 4 5 9 3.12 3.51 1.45 < -4 6 9 0.96 0.79 1.06 < -3 6 9 14.55 11.51 1.08 o -2 6 9 1.59 1.26 0.70 < -1 6 9 105.54 103.56 2.04 o 0 6 9 15.85 15.52 0.99 o 1 6 9 36.41 31.51 1.41 o 2 6 9 0.18 0.83 0.81 < 3 6 9 0.36 1.37 1.09 < -4 7 9 0.29 -0.93 1.19 < -3 7 9 1.19 1.67 0.98 < -2 7 9 507.28 523.02 5.91 o -1 7 9 47.82 52.25 1.67 o 0 7 9 4.67 4.16 0.88 o 1 7 9 0.65 -0.55 0.83 < 2 7 9 150.42 163.30 3.67 o 3 7 9 0.03 1.04 1.32 < -3 8 9 4.87 1.66 1.25 < -2 8 9 5.86 4.98 1.19 o -1 8 9 19.96 17.43 1.52 o 0 8 9 5.04 3.14 1.17 < 1 8 9 49.62 55.02 2.53 o 2 8 9 4.16 2.23 1.33 < -2 9 9 21.19 18.48 1.90 o -1 9 9 24.92 32.04 2.30 o 0 9 9 13.87 12.62 1.67 o 1 9 9 32.73 36.07 2.49 o -4 0 10 55.29 58.41 2.65 o -2 0 10 43.14 47.07 1.79 o 0 0 10 2.84 2.05 0.73 < 2 0 10 341.97 343.90 4.87 o 4 0 10 45.11 46.93 3.47 o -5 1 10 15.13 13.14 1.47 o -4 1 10 0.90 1.27 0.79 < -3 1 10 23.25 23.27 0.96 o -2 1 10 10.61 7.99 0.68 o -1 1 10 39.58 42.26 1.21 o 0 1 10 67.49 64.66 1.48 o 1 1 10 948.71 940.15 7.48 o 2 1 10 4.62 2.26 0.60 o 3 1 10 1.26 1.43 0.72 < 4 1 10 25.36 26.52 1.81 o -5 2 10 5.45 7.25 1.33 o -4 2 10 11.90 12.40 1.17 o -3 2 10 3.77 2.86 0.57 o -2 2 10 228.25 231.64 2.64 o -1 2 10 3.21 3.26 0.57 o 0 2 10 3.26 1.42 0.53 < 1 2 10 15.51 12.79 0.83 o 2 2 10 31.11 32.89 1.19 o 3 2 10 0.01 -0.28 0.69 < 4 2 10 25.01 27.51 1.82 o -5 3 10 0.72 1.50 1.17 < -4 3 10 9.57 9.96 1.11 o -3 3 10 64.44 58.93 1.45 o -2 3 10 26.26 23.08 1.02 o -1 3 10 111.44 106.68 1.94 o 0 3 10 1.84 0.97 0.53 < 1 3 10 68.94 65.32 1.62 o 2 3 10 1.97 1.02 0.60 < 3 3 10 54.13 50.23 1.66 o 4 3 10 0.19 0.00 1.22 < -5 4 10 0.03 -0.68 1.26 < -4 4 10 2.03 0.72 0.82 < -3 4 10 6.26 5.38 0.77 o -2 4 10 132.87 133.86 2.20 o -1 4 10 0.54 0.68 0.57 < 0 4 10 0.17 0.24 0.55 < 1 4 10 4.33 4.53 0.69 o 2 4 10 135.37 125.34 2.23 o 3 4 10 2.63 2.80 0.94 < 4 4 10 5.07 4.03 1.50 < -4 5 10 2.70 3.28 1.04 o -3 5 10 32.68 33.99 1.50 o -2 5 10 11.58 8.35 0.87 o -1 5 10 0.84 1.37 0.63 < 0 5 10 0.84 0.99 0.63 < 1 5 10 49.30 35.72 1.48 o 2 5 10 68.13 69.41 2.06 o 3 5 10 1.25 -0.06 1.07 < -4 6 10 2.03 1.09 1.22 < -3 6 10 0.61 0.98 0.96 < -2 6 10 56.05 54.10 1.81 o -1 6 10 35.40 36.89 1.43 o 0 6 10 229.05 249.24 3.35 o 1 6 10 6.09 5.57 0.99 o 2 6 10 6.80 6.09 1.23 o 3 6 10 28.03 26.01 2.29 o -3 7 10 181.45 184.32 4.29 o -2 7 10 6.36 6.21 1.14 o -1 7 10 1.12 0.63 0.89 < 0 7 10 3.43 4.88 1.09 o 1 7 10 34.93 29.95 2.00 o 2 7 10 0.08 0.50 1.13 < -2 8 10 54.87 54.48 2.49 o -1 8 10 0.69 -0.33 1.23 < 0 8 10 33.32 40.94 2.40 o 1 8 10 2.84 3.12 1.36 < 2 8 10 0.37 6.68 3.91 < -1 9 10 2.92 3.08 1.47 < 0 9 10 0.00 0.05 1.35 < -5 0 11 3.17 6.44 2.04 o -3 0 11 18.42 19.63 1.52 o -1 0 11 8.10 6.89 1.01 o 1 0 11 859.24 869.51 9.72 o 3 0 11 11.24 11.52 1.74 o -5 1 11 2.05 0.74 1.23 < -4 1 11 4.38 4.19 1.04 o -3 1 11 9.49 7.74 0.83 o -2 1 11 27.25 25.19 1.09 o -1 1 11 27.12 23.74 1.08 o 0 1 11 153.74 161.29 2.43 o 1 1 11 33.76 33.73 1.27 o 2 1 11 14.39 15.03 0.97 o 3 1 11 6.48 5.43 1.02 o 4 1 11 7.95 6.21 1.52 o -5 2 11 11.83 11.19 1.67 o -4 2 11 8.41 8.25 1.25 o -3 2 11 240.65 240.37 3.25 o -2 2 11 3.22 2.35 0.62 o -1 2 11 29.42 27.45 1.16 o 0 2 11 14.42 8.88 0.81 o 1 2 11 47.17 49.51 1.46 o 2 2 11 7.02 4.65 0.74 o 3 2 11 15.69 19.60 1.43 o 4 2 11 17.70 18.20 2.03 o -4 3 11 1.28 0.11 0.83 < -3 3 11 0.81 0.89 0.68 < -2 3 11 30.91 26.16 1.17 o -1 3 11 5.07 2.74 0.65 o 0 3 11 5.96 4.73 0.70 o 1 3 11 5.18 5.40 0.75 o 2 3 11 16.47 18.53 1.11 o 3 3 11 0.83 0.39 0.97 < -4 4 11 4.32 3.86 1.12 o -3 4 11 37.28 38.02 1.52 o -2 4 11 1.51 0.39 0.64 < -1 4 11 48.45 44.29 1.47 o 0 4 11 32.63 28.83 1.31 o 1 4 11 98.61 89.31 2.01 o 2 4 11 12.16 11.99 1.13 o 3 4 11 48.57 51.80 2.36 o -4 5 11 8.79 8.88 1.36 o -3 5 11 29.35 31.84 1.57 o -2 5 11 2.87 2.47 0.82 o -1 5 11 0.45 0.69 0.70 < 0 5 11 53.73 46.94 1.65 o 1 5 11 126.35 125.66 3.08 o 2 5 11 21.19 16.36 1.55 o 3 5 11 0.49 0.72 1.36 < -3 6 11 157.88 155.17 3.65 o -2 6 11 14.38 13.02 1.27 o -1 6 11 27.58 28.33 1.62 o 0 6 11 3.29 3.35 1.03 o 1 6 11 11.03 16.44 1.75 o 2 6 11 18.92 23.29 2.00 o -3 7 11 0.15 0.33 1.23 < -2 7 11 70.83 75.42 2.79 o -1 7 11 3.10 2.35 1.16 < 0 7 11 30.86 38.62 2.26 o 1 7 11 4.18 3.11 1.33 < 2 7 11 2.76 4.06 1.56 < -2 8 11 16.90 20.09 2.16 o -1 8 11 24.12 19.47 2.09 o 0 8 11 2.03 0.99 1.36 < 1 8 11 1.06 1.96 3.55 < -4 0 12 27.60 33.35 2.98 o -2 0 12 18.35 17.22 1.50 o 0 0 12 1137.08 1126.11 12.91 o 2 0 12 0.10 1.13 1.14 < -4 1 12 1.15 0.92 1.13 < -3 1 12 1.17 0.52 0.77 < -2 1 12 79.13 79.90 1.91 o -1 1 12 42.27 40.60 1.43 o 0 1 12 5.56 3.25 0.74 o 1 1 12 0.36 1.06 0.68 < 2 1 12 84.22 91.76 2.19 o 3 1 12 82.14 82.31 2.79 o -4 2 12 46.67 44.12 2.24 o -3 2 12 21.36 19.36 1.25 o -2 2 12 0.07 -0.31 0.63 < -1 2 12 0.62 0.75 0.64 < 0 2 12 0.04 -0.15 0.63 < 1 2 12 4.32 5.62 0.83 o 2 2 12 0.70 0.60 0.84 < 3 2 12 9.89 7.13 1.41 o -4 3 12 2.25 1.53 1.11 < -3 3 12 10.65 8.91 1.04 o -2 3 12 4.36 4.30 0.79 o -1 3 12 1.68 2.30 0.73 o 0 3 12 1.24 0.72 0.69 < 1 3 12 6.89 7.11 0.91 o 2 3 12 0.55 0.59 0.92 < 3 3 12 26.46 33.27 2.30 o -4 4 12 11.92 9.22 1.45 o -3 4 12 7.96 7.47 1.07 o -2 4 12 25.28 24.44 1.38 o -1 4 12 1.56 2.06 0.79 < 0 4 12 49.25 45.63 1.74 o 1 4 12 35.86 39.94 1.82 o 2 4 12 97.81 99.10 3.14 o 3 4 12 4.35 5.21 1.67 o -3 5 12 0.79 0.77 1.07 < -2 5 12 1.21 0.94 0.93 < -1 5 12 82.73 89.77 2.53 o 0 5 12 88.51 94.26 3.01 o 1 5 12 66.51 68.11 2.70 o 2 5 12 0.05 -0.23 1.28 < -3 6 12 17.27 15.89 1.90 o -2 6 12 14.51 16.40 1.70 o -1 6 12 30.25 32.16 1.99 o 0 6 12 3.66 5.19 1.32 o 1 6 12 24.27 24.75 2.05 o 2 6 12 2.88 4.40 1.60 < -2 7 12 1.71 2.84 1.43 < -1 7 12 0.36 1.25 1.27 < 0 7 12 4.42 4.30 1.37 o 1 7 12 3.57 5.28 1.57 o -3 0 13 0.03 0.81 1.23 < -1 0 13 482.01 504.38 7.31 o 1 0 13 10.54 9.19 1.48 o 3 0 13 34.87 39.13 3.82 o -4 1 13 12.69 9.11 1.70 o -3 1 13 0.37 0.81 0.93 < -2 1 13 0.06 -0.04 0.75 < -1 1 13 5.26 4.65 0.87 o 0 1 13 35.93 35.87 1.58 o 1 1 13 11.96 11.97 1.17 o 2 1 13 60.88 61.37 2.29 o 3 1 13 2.63 1.92 1.45 < -4 2 13 4.95 3.69 1.48 < -3 2 13 0.30 1.28 0.92 < -2 2 13 0.12 0.72 0.82 < -1 2 13 22.07 19.23 1.26 o 0 2 13 16.12 14.30 1.27 o 1 2 13 9.61 6.91 1.13 o 2 2 13 1.43 2.79 1.18 < -3 3 13 0.45 1.19 0.97 < -2 3 13 4.23 4.48 0.99 o -1 3 13 23.78 22.29 1.45 o 0 3 13 108.58 104.68 2.77 o 1 3 13 5.64 4.98 1.12 o 2 3 13 14.27 18.20 1.81 o -3 4 13 10.56 9.48 1.45 o -2 4 13 7.74 8.98 1.31 o -1 4 13 13.57 9.99 1.28 o 0 4 13 8.04 7.66 1.38 o 1 4 13 30.05 33.01 1.91 o 2 4 13 0.31 0.88 1.28 < -3 5 13 0.16 1.11 1.33 < -2 5 13 13.15 10.19 1.48 o -1 5 13 12.24 9.43 1.48 o 0 5 13 53.40 44.50 2.55 o 1 5 13 5.09 5.65 1.36 o -2 6 13 5.38 5.43 1.61 o -1 6 13 0.01 1.26 1.32 < 0 6 13 0.15 0.10 1.26 < 1 6 13 0.85 1.14 1.48 < -2 0 14 240.71 242.12 6.23 o 0 0 14 65.99 67.94 3.74 o 2 0 14 0.52 0.59 1.62 < -3 1 14 3.61 2.89 1.25 < -2 1 14 0.77 -0.50 0.97 < -1 1 14 50.45 45.81 2.13 o 0 1 14 0.31 0.23 1.03 < 1 1 14 80.11 86.11 2.78 o 2 1 14 2.89 3.84 1.36 < -3 2 14 9.23 11.30 1.55 o -2 2 14 1.41 1.40 1.11 < -1 2 14 0.12 0.62 1.08 < 0 2 14 5.37 7.97 1.35 o 1 2 14 7.68 9.32 1.35 o 2 2 14 70.52 81.19 3.27 o -3 3 14 3.71 1.96 1.33 < -2 3 14 0.49 -0.05 1.09 < -1 3 14 37.85 41.56 2.30 o 0 3 14 0.68 1.01 1.18 < 1 3 14 15.28 14.93 1.57 o -2 4 14 0.59 -0.45 1.23 < -1 4 14 21.60 23.89 1.95 o 0 4 14 2.62 3.84 1.32 < 1 4 14 2.38 2.52 1.27 < -1 5 14 52.68 51.43 2.84 o 0 5 14 0.00 -0.04 1.30 < -1 0 15 103.46 107.96 4.73 o 1 0 15 11.27 8.33 2.04 o -2 1 15 107.44 105.88 3.71 o -1 1 15 0.49 0.58 1.18 < 0 1 15 2.80 5.25 1.35 o 1 1 15 12.19 11.69 1.55 o -2 2 15 7.67 6.72 1.61 o -1 2 15 3.45 4.08 1.37 < 0 2 15 0.54 1.85 1.28 < 1 2 15 58.87 62.17 3.04 o -1 3 15 12.23 14.16 1.85 o 0 3 15 25.49 27.71 2.13 o data_I _database_code_depnum_ccdc_archive 'CCDC 910541' #TrackingRef '15368_web_deposit_cif_file_0_ChristineFrayret_1352735512.Li2DHDMQ-4H2O-100K.cif' #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety 'C8 H14 Li2 O10' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'C8 H14 Li2 O10' _chemical_formula_weight 284.1 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x+1/2,y+1/2,-z+1/2 3 -x,-y,-z 4 x+1/2,-y+1/2,z+1/2 _cell_length_a 10.5610(8) _cell_length_b 9.4941(7) _cell_length_c 13.2344(8) _cell_angle_alpha 90 _cell_angle_beta 107.394(3) _cell_angle_gamma 90 _cell_volume 1266.296(156) loop_ _jana_cell_twin_matrix_id _jana_cell_twin_volume_fraction _jana_cell_twin_matrix_1_1 _jana_cell_twin_matrix_1_2 _jana_cell_twin_matrix_1_3 _jana_cell_twin_matrix_2_1 _jana_cell_twin_matrix_2_2 _jana_cell_twin_matrix_2_3 _jana_cell_twin_matrix_3_1 _jana_cell_twin_matrix_3_2 _jana_cell_twin_matrix_3_3 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 100 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 1.4896 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 592 _exptl_absorpt_coefficient_mu 0.136 _exptl_crystal_description plate _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _exptl_crystal_size_rad ? _exptl_crystal_colour purple _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details sadabs _exptl_absorpt_correction_T_min 0.942 _exptl_absorpt_correction_T_max 0.986 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 100 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_measurement_specimen_support ? _diffrn_reflns_number 41727 _diffrn_reflns_theta_min 2.94 _diffrn_reflns_theta_max 31.18 _diffrn_reflns_theta_full 31.18 _diffrn_measured_fraction_theta_max 0.99 _diffrn_measured_fraction_theta_full 0.99 _diffrn_reflns_av_R_equivalents 0.0415 _diffrn_reflns_av_sigmaI/netI 0.021 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 4098 _reflns_number_gt 2941 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0327 _refine_ls_wR_factor_gt 0.0488 _refine_ls_R_factor_all 0.0501 _refine_ls_wR_factor_ref 0.0538 _refine_ls_goodness_of_fit_ref 1.15 _refine_ls_goodness_of_fit_gt 1.25 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 4098 _refine_ls_number_parameters 237 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0009F^2^) _refine_ls_hydrogen_treatment refall _refine_ls_shift/su_max 0.0315 _refine_ls_shift/su_mean 0.0028 _refine_diff_density_max 0.63 _refine_diff_density_min -0.23 _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c C 0.0033 0.0016 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 2.31 20.843901 1.02 10.2075 1.5886 0.5687 0.865 51.651199 0.2156 H 0.0000 0.0000 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 0.493002 10.5109 0.322912 26.1257 0.140191 3.14236 0.04081 57.799702 0.003038 Li -0.0003 0.0001 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 1.1282 3.9546 0.7508 1.0524 0.6175 85.390503 0.4653 168.261002 0.0377 O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.867 32.908901 0.2508 _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group O1A O 0.50919(6) 0.28471(6) 0.01149(5) Uani 0.01118(18) 4 1 d . . . O2A O 0.46117(6) -0.15556(6) 0.17258(5) Uani 0.01031(18) 4 1 d . . . O3A O 0.45847(6) 0.14004(6) 0.16308(5) Uani 0.01308(19) 4 1 d . . . C1A C 0.50512(7) 0.15183(8) -0.00051(6) Uani 0.0089(2) 4 1 d . . . C2A C 0.47748(7) -0.08064(8) 0.08710(6) Uani 0.0090(2) 4 1 d . . . C3A C 0.47824(7) 0.06804(8) 0.08994(6) Uani 0.0090(2) 4 1 d . . . C4A C 0.32482(8) -0.19129(10) 0.15901(7) Uani 0.0156(3) 4 1 d . . . H1A H 0.3211(11) -0.2475(14) 0.2213(10) Uiso 0.028(3) 4 1 d . . . H2A H 0.2881(10) -0.2456(13) 0.0964(9) Uiso 0.016(3) 4 1 d . . . H3A H 0.2750(12) -0.1050(13) 0.1535(9) Uiso 0.023(3) 4 1 d . . . O1B O 0.51836(6) 0.78237(6) 0.49939(5) Uani 0.01130(18) 4 1 d . . . O2B O 0.45696(5) 0.65528(6) 0.67131(4) Uani 0.00968(17) 4 1 d . . . O3B O 0.56410(6) 0.64153(6) 0.34558(5) Uani 0.01262(19) 4 1 d . . . C1B C 0.50806(7) 0.65098(8) 0.50557(6) Uani 0.0090(2) 4 1 d . . . C2B C 0.47697(7) 0.57899(8) 0.58769(6) Uani 0.0089(2) 4 1 d . . . C3B C 0.53385(7) 0.56741(8) 0.41420(6) Uani 0.0089(2) 4 1 d . . . C4B C 0.32057(8) 0.69860(10) 0.64856(7) Uani 0.0160(3) 4 1 d . . . H1B H 0.2670(13) 0.6134(14) 0.6415(9) Uiso 0.026(3) 4 1 d . . . H2B H 0.2910(11) 0.7506(14) 0.5827(10) Uiso 0.024(3) 4 1 d . . . H3B H 0.3128(11) 0.7548(14) 0.7057(10) Uiso 0.026(3) 4 1 d . . . Ow1 O 0.44593(6) 1.01932(6) 0.34698(5) Uani 0.01159(19) 4 1 d . . . Hw1a H 0.4448(13) 1.0623(15) 0.2904(12) Uiso 0.035(4) 4 1 d . . . Hw1b H 0.4591(13) 1.0901(15) 0.3891(11) Uiso 0.035(4) 4 1 d . . . Ow2 O 0.27892(6) 0.42170(7) 0.09908(6) Uani 0.0177(2) 4 1 d . . . Hw2a H 0.2177(13) 0.4394(14) 0.1222(10) Uiso 0.027(3) 4 1 d . . . Hw2b H 0.2620(13) 0.4609(15) 0.0467(12) Uiso 0.040(4) 4 1 d . . . Ow3 O 0.56905(6) 0.53282(7) 0.15989(5) Uani 0.01113(18) 4 1 d . . . Hw3a H 0.5652(13) 0.5715(15) 0.2141(12) Uiso 0.034(4) 4 1 d . . . Hw3b H 0.5407(13) 0.6007(14) 0.1141(10) Uiso 0.028(3) 4 1 d . . . Ow4 O 0.74077(6) 0.91452(7) 0.40793(5) Uani 0.0141(2) 4 1 d . . . Hw4a H 0.7824(14) 0.9619(16) 0.3775(11) Uiso 0.039(4) 4 1 d . . . Hw4b H 0.8009(15) 0.8613(15) 0.4375(11) Uiso 0.047(4) 4 1 d . . . Li1 Li 0.55742(15) 0.84985(15) 0.36410(13) Uani 0.0149(5) 4 1 d . . . Li2 Li 0.45818(15) 0.35379(16) 0.15071(12) Uani 0.0146(4) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 O1A O 0.0164(3) 0.0061(3) 0.0118(3) -0.0002(2) 0.0052(2) -0.0013(2) O2A O 0.0123(3) 0.0095(3) 0.0100(3) -0.00054(19) 0.0047(2) 0.0017(2) O3A O 0.0225(3) 0.0085(3) 0.0100(3) 0.0012(2) 0.0074(2) -0.0016(2) C1A C 0.0097(3) 0.0076(4) 0.0094(4) 0.0000(2) 0.0026(3) -0.0004(3) C2A C 0.0124(3) 0.0074(3) 0.0083(4) 0.0006(2) 0.0046(3) 0.0008(3) C3A C 0.0107(3) 0.0075(3) 0.0089(4) 0.0005(2) 0.0028(3) -0.0002(3) C4A C 0.0138(4) 0.0188(4) 0.0151(4) -0.0037(3) 0.0057(3) -0.0018(3) O1B O 0.0172(3) 0.0063(3) 0.0117(3) -0.0009(2) 0.0064(2) -0.0006(2) O2B O 0.0117(3) 0.0091(3) 0.0091(3) 0.00094(19) 0.0044(2) -0.0016(2) O3B O 0.0213(3) 0.0088(3) 0.0102(3) -0.0015(2) 0.0083(2) 0.0008(2) C1B C 0.0102(3) 0.0074(3) 0.0094(4) -0.0002(2) 0.0030(3) -0.0004(3) C2B C 0.0127(3) 0.0073(3) 0.0073(4) 0.0001(2) 0.0043(3) -0.0010(3) C3B C 0.0111(3) 0.0079(3) 0.0079(4) -0.0006(2) 0.0030(3) -0.0008(3) C4B C 0.0140(4) 0.0204(5) 0.0141(4) 0.0044(3) 0.0049(3) -0.0008(3) Ow1 O 0.0183(3) 0.0086(3) 0.0096(3) -0.0010(2) 0.0069(2) -0.0005(2) Ow2 O 0.0149(3) 0.0217(4) 0.0185(4) 0.0038(2) 0.0082(3) 0.0046(3) Ow3 O 0.0167(3) 0.0093(3) 0.0090(3) 0.0012(2) 0.0064(2) 0.0000(2) Ow4 O 0.0129(3) 0.0134(3) 0.0174(3) -0.0005(2) 0.0068(2) 0.0042(2) Li1 Li 0.0163(7) 0.0098(7) 0.0198(8) -0.0015(5) 0.0073(6) -0.0004(6) Li2 Li 0.0170(7) 0.0110(7) 0.0164(7) 0.0012(5) 0.0062(5) -0.0013(5) #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag O1A C1A . . 1.2706(10) ? O3A C3A . . 1.2525(11) ? O3A Li2 . . 2.0358(16) ? O2A C2A . . 1.3899(10) ? O2A C4A . . 1.4375(11) ? C3a C2A . . 1.4120(11) ? C3a C1A . . 1.5328(12) ? C2A C1A . 3_655 1.3892(12) ? C4A H2A . . 0.954(11) ? C4A H3A . . 0.965(13) ? C4A H1A . . 0.993(13) ? Ow3 Hw3b . . 0.874(13) ? Ow3 Hw3a . . 0.818(16) ? O1B C1B . . 1.2569(10) ? Ow1 Li1 . . 1.9665(16) ? Ow1 Hw1b . . 0.858(14) ? Ow1 Hw1a . . 0.850(16) ? Ow4 Li1 . . 1.9472(16) ? Ow4 Hw4a . . 0.815(16) ? Ow4 Hw4b . . 0.814(14) ? O3B C3B . . 1.2632(11) ? O3B Li1 . . 1.9968(16) ? O2B C2B . . 1.3906(10) ? O2B C4B . . 1.4405(10) ? Ow2 Li2 . . 1.9218(16) ? Ow2 Hw2b . . 0.759(15) ? Ow2 Hw2a . . 0.812(15) ? C1B C3B . . 1.5370(12) ? C1B C2B . . 1.4034(12) ? C3B C2B . 3_666 1.3942(11) ? C4B H1B . . 0.975(13) ? C4B H2B . . 0.968(12) ? C4B H3B . . 0.949(14) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C3A O3A Li2 . . . 118.59(7) ? C2A O2A C4A . . . 112.48(6) ? O3A C3A C2A . . . 124.42(8) ? O3A C3A C1A . . . 115.65(7) ? C2A C3A C1A . . . 119.93(7) ? O2A C2A C3A . . . 119.41(7) ? O2A C2A C1A . . 3_655 120.10(7) ? C3A C2A C1A . . 3_655 120.48(8) ? O1A C1A C3A . . . 115.15(7) ? O1A C1A C2A . . 3_655 125.33(8) ? C3A C1A C2A . . 3_655 119.52(7) ? O2A C4A H2A . . . 111.6(7) ? O2A C4A H3A . . . 108.2(8) ? O2A C4A H1A . . . 108.1(6) ? H2A C4A H3A . . . 108.8(9) ? H2A C4A H1A . . . 108.9(10) ? H3A C4A H1A . . . 111.3(11) ? Hw3b Ow3 Hw3a . . . 100.5(14) ? Li1 Ow1 Hw1b . . . 126.2(8) ? Li1 Ow1 Hw1a . . . 110.1(10) ? Hw1b Ow1 Hw1a . . . 98.8(14) ? Li1 Ow4 Hw4a . . . 131.5(9) ? Li1 Ow4 Hw4b . . . 120.7(11) ? Hw4a Ow4 Hw4b . . . 97.0(15) ? C3B O3B Li1 . . . 115.96(8) ? C2B O2B C4B . . . 111.27(6) ? Li2 Ow2 Hw2b . . . 115.3(11) ? Li2 Ow2 Hw2a . . . 138.3(8) ? Hw2b Ow2 Hw2a . . . 104.2(14) ? O1B C1B C3B . . . 114.96(7) ? O1B C1B C2B . . . 125.35(8) ? C3B C1B C2B . . . 119.69(7) ? O3B C3B C1B . . . 114.86(7) ? O3B C3B C2B . . 3_666 125.41(8) ? C1B C3B C2B . . 3_666 119.73(7) ? O2B C2B C1B . . . 119.28(7) ? O2B C2B C3B . . 3_666 120.16(7) ? C1B C2B C3B . . 3_666 120.56(8) ? O2B C4B H1B . . . 107.4(8) ? O2B C4B H2B . . . 111.5(8) ? O2B C4B H3B . . . 108.2(7) ? H1B C4B H2B . . . 108.4(10) ? H1B C4B H3B . . . 110.9(12) ? H2B C4B H3B . . . 110.4(11) ? Ow1 Li1 Ow4 . . . 106.51(7) ? Ow1 Li1 O3B . . . 146.95(8) ? Ow4 Li1 O3B . . . 106.28(8) ? O3A Li2 Ow2 . . . 109.92(8) ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag Ow3 Hw3b O1A . . 3_665 0.874(13) 1.924(13) 2.7763(8) 164.8(14) ? Ow1 Hw1b O1B . . 3_676 0.858(14) 1.868(14) 2.7134(9) 168.2(15) ? Ow1 Hw1a O3A . . 1_565 0.850(16) 1.884(16) 2.7290(10) 172.6(15) ? Ow2 Hw2b Ow4 . . 4_464 0.759(15) 2.140(16) 2.8931(10) 172.0(13) ? Ow2 Hw2a Ow1 . . 2_545 0.812(15) 2.037(15) 2.8322(10) 166.4(13) ? Ow4 Hw4a Ow3 . . 2_655 0.815(16) 1.904(16) 2.6794(10) 158.8(13) ? Ow4 Hw4b O1A . . 2_655 0.814(14) 2.049(15) 2.8188(8) 157.6(16) ? Ow3 Hw3a O3B . . . 0.818(16) 1.866(16) 2.6802(10) 173.7(14) ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 50706.79 53248.23 515.24 o 4 0 0 37122.23 39019.41 465.93 o 6 0 0 654.23 833.24 13.30 o 8 0 0 244.71 204.99 6.65 o 10 0 0 418.14 404.99 9.97 o 12 0 0 17.11 21.61 3.88 o 14 0 0 100.14 105.82 7.76 o 1 1 0 1.93 0.00 0.55 < 2 1 0 71.50 58.17 1.11 o 3 1 0 458.27 477.01 4.43 o 4 1 0 2598.30 2665.38 26.04 o 5 1 0 71.53 78.67 2.22 o 6 1 0 51.57 46.54 1.66 o 7 1 0 324.30 347.37 5.54 o 8 1 0 177.14 168.42 3.88 o 9 1 0 3.10 3.88 1.66 < 10 1 0 53.07 53.19 2.77 o 11 1 0 2.12 2.22 1.66 < 12 1 0 228.31 229.36 6.09 o 13 1 0 16.12 21.05 3.32 o 14 1 0 0.29 -0.55 2.77 < 0 2 0 0.02 -5.54 0.55 < 1 2 0 20.84 18.84 0.55 o 2 2 0 230.55 258.73 2.77 o 3 2 0 146.77 160.66 2.22 o 4 2 0 5.58 8.31 1.11 o 5 2 0 33.48 34.35 1.66 o 6 2 0 3025.16 3125.76 31.02 o 7 2 0 0.18 0.00 1.11 < 8 2 0 53.87 48.20 2.22 o 9 2 0 172.46 170.64 4.43 o 10 2 0 235.39 255.40 5.54 o 11 2 0 1.71 -1.11 1.66 < 12 2 0 89.64 88.64 4.43 o 13 2 0 25.91 29.92 3.32 o 14 2 0 7.63 7.76 2.77 < 1 3 0 6.28 3.32 0.55 o 2 3 0 3030.10 3176.73 22.71 o 3 3 0 11.10 12.74 1.11 o 4 3 0 18.26 4.43 1.11 o 5 3 0 6.41 8.31 1.11 o 6 3 0 1172.32 1162.33 13.30 o 7 3 0 4.18 2.22 1.66 < 8 3 0 99.55 88.64 2.77 o 9 3 0 2.79 2.22 1.66 < 10 3 0 17.49 19.39 2.22 o 11 3 0 0.03 -1.11 2.22 < 12 3 0 178.35 163.99 5.54 o 13 3 0 0.13 0.55 2.22 < 14 3 0 0.02 -2.22 2.77 < 0 4 0 4589.33 4719.12 51.52 o 1 4 0 71.65 69.25 1.66 o 2 4 0 1271.84 1262.05 13.30 o 3 4 0 113.30 124.10 2.77 o 4 4 0 1547.93 1644.32 16.07 o 5 4 0 73.24 72.02 2.22 o 6 4 0 47.71 46.54 2.22 o 7 4 0 98.04 94.18 2.77 o 8 4 0 1.91 4.43 1.66 < 9 4 0 29.96 29.92 2.22 o 10 4 0 171.25 168.42 4.43 o 11 4 0 46.27 45.98 3.32 o 12 4 0 86.94 92.52 4.43 o 13 4 0 44.87 41.00 3.88 o 14 4 0 36.71 45.98 4.43 o 1 5 0 36.64 32.13 1.66 o 2 5 0 231.56 259.28 3.88 o 3 5 0 3.07 3.32 1.11 o 4 5 0 82.57 86.43 2.77 o 5 5 0 0.02 0.55 1.11 < 6 5 0 366.48 382.83 6.09 o 7 5 0 55.74 54.29 2.77 o 8 5 0 10.43 5.54 1.66 o 9 5 0 33.87 34.90 2.77 o 10 5 0 69.40 75.35 3.88 o 11 5 0 56.72 54.29 3.88 o 12 5 0 0.83 0.00 2.22 < 13 5 0 15.79 13.85 3.32 o 0 6 0 162.75 167.31 4.43 o 1 6 0 10.42 7.76 1.11 o 2 6 0 2383.19 2181.16 21.05 o 3 6 0 54.95 54.29 2.22 o 4 6 0 416.51 429.36 6.65 o 5 6 0 31.05 33.80 2.22 o 6 6 0 0.38 -0.55 1.66 < 7 6 0 130.77 121.88 3.88 o 8 6 0 1077.63 1013.85 13.30 o 9 6 0 97.77 100.83 3.88 o 10 6 0 110.73 105.26 4.43 o 11 6 0 116.58 114.68 4.99 o 12 6 0 9.80 16.62 3.32 o 13 6 0 91.63 95.84 4.99 o 1 7 0 57.91 54.85 2.22 o 2 7 0 6.50 6.09 1.66 o 3 7 0 5.61 4.99 1.66 < 4 7 0 423.23 437.12 6.65 o 5 7 0 79.62 72.58 3.32 o 6 7 0 0.09 2.22 1.66 < 7 7 0 6.75 6.09 2.22 < 8 7 0 4.82 4.99 2.22 < 9 7 0 0.33 1.11 2.22 < 10 7 0 6.00 4.99 2.22 < 11 7 0 20.81 24.38 3.32 o 12 7 0 17.37 21.05 3.32 o 0 8 0 273.18 238.23 7.76 o 1 8 0 58.65 53.74 2.77 o 2 8 0 136.80 165.65 4.43 o 3 8 0 28.01 22.71 2.22 o 4 8 0 180.42 138.50 3.88 o 5 8 0 112.48 103.05 3.88 o 6 8 0 294.32 269.25 6.09 o 7 8 0 9.27 6.65 2.22 o 8 8 0 78.05 75.35 3.88 o 9 8 0 65.66 67.04 3.88 o 10 8 0 57.01 61.50 4.43 o 11 8 0 10.61 9.97 3.32 < 1 9 0 33.94 28.25 2.77 o 2 9 0 538.92 532.96 8.31 o 3 9 0 5.35 7.76 2.22 o 4 9 0 542.98 501.39 8.86 o 5 9 0 11.23 13.85 2.22 o 6 9 0 173.58 163.99 4.99 o 7 9 0 82.91 85.87 4.43 o 8 9 0 184.27 193.91 6.09 o 9 9 0 29.41 24.38 3.32 o 10 9 0 282.42 277.01 7.76 o 11 9 0 72.72 62.05 4.99 o 0 10 0 646.20 518.01 13.85 o 1 10 0 5.98 6.09 2.22 < 2 10 0 1541.18 1382.27 17.17 o 3 10 0 9.71 10.53 2.22 o 4 10 0 126.77 105.26 4.43 o 5 10 0 18.53 14.96 2.77 o 6 10 0 18.39 27.15 2.77 o 7 10 0 216.19 222.71 6.65 o 8 10 0 67.09 73.13 4.43 o 9 10 0 54.47 53.19 4.43 o 10 10 0 62.68 66.48 4.99 o 1 11 0 34.61 35.46 3.32 o 2 11 0 2.89 1.66 2.22 < 3 11 0 0.39 -0.55 2.22 < 4 11 0 330.04 319.11 7.20 o 5 11 0 18.11 16.62 2.77 o 6 11 0 18.29 12.19 2.77 o 7 11 0 21.92 19.39 3.32 o 8 11 0 23.43 22.71 3.32 o 0 12 0 148.42 136.84 8.31 o 1 12 0 4.61 0.00 2.22 < 2 12 0 2.49 5.54 2.77 < 3 12 0 0.01 3.88 2.77 < 4 12 0 276.03 278.12 7.76 o 5 12 0 13.35 13.85 3.32 o 6 12 0 0.38 0.00 2.77 < 7 12 0 2.62 1.11 2.77 < 1 13 0 18.07 17.17 3.32 o 2 13 0 15.70 19.94 3.88 o 3 13 0 19.69 22.71 3.88 o 4 13 0 103.23 125.21 6.65 o 5 13 0 0.30 -5.54 8.31 < -13 0 1 17.84 18.28 4.43 o -11 0 1 83.89 79.22 4.99 o -9 0 1 2.47 3.32 2.22 < -7 0 1 122.23 110.80 3.88 o -5 0 1 481.01 505.26 8.86 o -3 0 1 24.57 27.70 1.11 o 1 0 1 27.73 9.42 1.11 o 3 0 1 167.35 147.37 2.77 o 5 0 1 216.76 216.07 4.99 o 7 0 1 563.98 583.38 11.08 o 9 0 1 676.60 715.79 16.07 o 11 0 1 408.50 387.81 10.53 o 13 0 1 42.80 45.43 4.99 o -14 1 1 20.19 23.27 3.32 o -13 1 1 281.37 270.91 7.76 o -12 1 1 57.67 59.28 3.32 o -11 1 1 70.36 69.25 3.32 o -10 1 1 104.11 100.28 3.32 o -9 1 1 121.16 113.02 3.32 o -8 1 1 689.30 689.20 8.86 o -7 1 1 36.07 36.57 2.22 o -6 1 1 12.92 16.07 1.66 o -5 1 1 44.85 46.54 1.66 o -4 1 1 5205.44 5376.18 39.89 o -3 1 1 122.96 126.87 1.66 o -2 1 1 514.05 550.69 4.43 o -1 1 1 48.13 51.52 0.55 o 1 1 1 136.40 126.87 1.66 o 2 1 1 30573.68 31927.44 245.98 o 3 1 1 550.00 603.32 4.99 o 4 1 1 9111.85 10124.66 91.97 o 5 1 1 1148.52 1225.49 12.74 o 6 1 1 8522.58 8894.19 80.89 o 7 1 1 221.90 235.46 4.43 o 8 1 1 1278.70 1327.42 16.07 o 9 1 1 304.22 311.91 5.54 o 10 1 1 36.84 47.09 2.77 o 11 1 1 7.06 7.76 2.22 o 12 1 1 4.26 4.43 2.22 < 13 1 1 36.34 39.34 3.32 o 14 1 1 125.72 127.98 6.09 o -14 2 1 46.76 59.83 4.43 o -13 2 1 26.48 26.04 3.32 o -12 2 1 33.98 33.24 2.77 o -11 2 1 2.98 3.88 2.22 < -10 2 1 23.16 28.81 2.22 o -9 2 1 6.16 7.76 1.66 o -8 2 1 40.97 42.66 2.22 o -7 2 1 181.33 187.81 3.88 o -6 2 1 1521.27 1448.75 15.51 o -5 2 1 8.32 7.20 1.11 o -4 2 1 623.83 637.12 6.65 o -3 2 1 67.91 67.59 1.11 o -2 2 1 273.82 243.77 2.22 o -1 2 1 2.77 -5.54 0.55 < 0 2 1 2348.03 2480.33 17.73 o 1 2 1 3.88 2.77 0.55 o 2 2 1 4033.18 4025.49 28.25 o 3 2 1 147.61 149.03 2.22 o 4 2 1 1318.73 1478.67 15.51 o 5 2 1 3.55 4.43 1.11 o 6 2 1 160.01 147.37 3.32 o 7 2 1 2.56 0.55 1.11 < 8 2 1 21.99 24.93 2.22 o 9 2 1 2.88 0.55 1.66 < 10 2 1 121.05 120.22 3.88 o 11 2 1 26.72 22.16 2.77 o 12 2 1 2.01 3.88 2.22 < 13 2 1 3.28 -2.22 2.22 < 14 2 1 179.18 184.49 7.20 o -14 3 1 11.69 3.88 2.77 < -13 3 1 1.52 1.11 2.22 < -12 3 1 25.62 23.82 2.77 o -11 3 1 97.16 96.40 3.88 o -10 3 1 58.51 63.16 3.32 o -9 3 1 49.85 53.74 2.77 o -8 3 1 1233.18 1120.78 12.74 o -7 3 1 314.87 324.10 4.99 o -6 3 1 700.08 695.29 8.31 o -5 3 1 316.68 316.90 4.43 o -4 3 1 71.42 74.24 2.22 o -3 3 1 114.11 132.96 2.22 o -2 3 1 0.34 -1.11 0.55 < -1 3 1 0.55 0.55 0.55 < 0 3 1 5347.69 5501.94 38.23 o 1 3 1 4.88 5.54 0.55 o 2 3 1 2325.51 2432.69 19.94 o 3 3 1 62.29 64.27 1.66 o 4 3 1 24.77 37.67 1.66 o 5 3 1 51.10 49.86 2.22 o 6 3 1 240.56 245.43 4.43 o 7 3 1 65.66 61.50 2.22 o 8 3 1 0.00 0.55 1.11 < 9 3 1 2.25 3.88 1.66 < 10 3 1 4.13 1.11 1.66 < 11 3 1 241.90 238.78 6.65 o 12 3 1 90.57 91.41 4.43 o 13 3 1 14.57 11.63 2.77 o 14 3 1 0.16 -2.22 2.77 < -14 4 1 181.31 193.91 7.20 o -13 4 1 116.18 112.47 4.99 o -12 4 1 67.83 62.60 3.88 o -11 4 1 162.77 153.46 4.99 o -10 4 1 199.06 182.27 4.99 o -9 4 1 15.29 13.30 1.66 o -8 4 1 30.28 28.25 2.22 o -7 4 1 3.23 1.66 1.66 < -6 4 1 94.06 100.28 2.77 o -5 4 1 258.98 255.96 3.88 o -4 4 1 93.58 84.76 2.22 o -3 4 1 61.42 63.71 1.66 o -2 4 1 2002.26 1937.40 16.62 o -1 4 1 84.60 89.20 1.66 o 0 4 1 1827.85 1859.84 16.62 o 1 4 1 5.75 3.32 1.11 o 2 4 1 1839.12 1787.81 17.73 o 3 4 1 1.16 0.55 1.11 < 4 4 1 45.66 49.86 1.66 o 5 4 1 35.15 33.24 1.66 o 6 4 1 173.41 169.53 3.88 o 7 4 1 75.48 76.45 2.77 o 8 4 1 1784.48 1750.14 18.84 o 9 4 1 5.55 5.54 1.66 o 10 4 1 8.08 7.76 2.22 o 11 4 1 13.43 15.51 2.77 o 12 4 1 174.61 178.95 6.09 o 13 4 1 6.75 6.65 2.77 < -13 5 1 5.51 3.88 2.77 < -12 5 1 101.70 103.05 4.99 o -11 5 1 1.76 1.66 2.22 < -10 5 1 30.08 36.57 2.77 o -9 5 1 75.61 83.10 3.32 o -8 5 1 2.76 2.77 1.66 < -7 5 1 38.59 36.01 2.22 o -6 5 1 957.75 930.75 11.08 o -5 5 1 2.87 1.66 1.11 < -4 5 1 135.33 161.22 3.32 o -3 5 1 35.84 34.35 1.66 o -2 5 1 10662.36 11428.26 93.63 o -1 5 1 21.66 19.39 1.11 o 0 5 1 1165.05 1427.70 14.40 o 1 5 1 78.49 74.24 2.22 o 2 5 1 3962.18 4271.47 37.67 o 3 5 1 39.18 39.89 1.66 o 4 5 1 1251.50 1428.81 15.51 o 5 5 1 29.22 27.70 2.22 o 6 5 1 156.94 178.95 3.88 o 7 5 1 4.97 3.32 1.66 < 8 5 1 149.54 159.00 4.43 o 9 5 1 144.35 151.80 4.43 o 10 5 1 250.67 260.39 6.65 o 11 5 1 13.53 16.07 2.77 o 12 5 1 11.14 9.42 2.77 o 13 5 1 12.32 15.51 3.32 o -13 6 1 55.44 61.50 4.43 o -12 6 1 14.09 18.84 3.32 o -11 6 1 0.17 -1.66 2.22 < -10 6 1 6.84 4.43 2.22 < -9 6 1 132.19 130.75 3.88 o -8 6 1 0.33 -2.77 1.66 < -7 6 1 0.90 -0.55 1.66 < -6 6 1 393.69 395.01 6.65 o -5 6 1 26.61 22.71 2.22 o -4 6 1 4.73 2.77 1.66 < -3 6 1 0.13 -0.55 1.11 < -2 6 1 14.84 12.19 1.66 o -1 6 1 21.12 21.61 1.66 o 0 6 1 41.80 42.66 1.66 o 1 6 1 8.08 5.54 1.11 o 2 6 1 1378.11 1376.18 13.85 o 3 6 1 3.35 2.22 1.11 < 4 6 1 88.03 91.41 2.77 o 5 6 1 17.99 18.28 2.22 o 6 6 1 28.67 28.25 2.22 o 7 6 1 108.35 105.82 3.88 o 8 6 1 3.18 3.88 2.22 < 9 6 1 55.51 47.09 3.32 o 10 6 1 260.17 269.81 7.20 o 11 6 1 0.11 2.22 2.22 < 12 6 1 66.37 65.37 4.43 o -12 7 1 661.04 654.29 11.63 o -11 7 1 30.63 34.35 3.32 o -10 7 1 66.09 57.06 3.88 o -9 7 1 0.96 2.22 2.22 < -8 7 1 594.67 596.12 9.97 o -7 7 1 10.47 6.65 2.22 o -6 7 1 185.42 165.65 4.43 o -5 7 1 29.53 33.24 2.22 o -4 7 1 94.45 102.49 3.32 o -3 7 1 0.64 1.11 1.66 < -2 7 1 0.42 0.00 1.66 < -1 7 1 0.02 0.55 1.66 < 0 7 1 1337.49 1401.66 16.07 o 1 7 1 47.24 43.21 2.22 o 2 7 1 530.06 572.85 7.76 o 3 7 1 14.72 13.30 1.66 o 4 7 1 2533.76 2503.05 27.70 o 5 7 1 0.00 0.00 1.66 < 6 7 1 292.59 286.43 6.09 o 7 7 1 51.03 49.31 3.32 o 8 7 1 172.79 180.61 5.54 o 9 7 1 5.88 7.76 2.22 o 10 7 1 97.37 100.83 4.43 o 11 7 1 0.13 -1.11 2.22 < 12 7 1 29.08 31.58 3.88 o -12 8 1 206.26 211.08 7.20 o -11 8 1 10.66 7.76 2.77 < -10 8 1 90.20 85.87 4.99 o -9 8 1 55.49 59.28 3.88 o -8 8 1 22.43 22.16 2.77 o -7 8 1 4.98 4.43 2.22 < -6 8 1 58.00 57.62 3.32 o -5 8 1 63.98 63.16 3.32 o -4 8 1 165.83 161.77 4.43 o -3 8 1 23.40 21.61 2.22 o -2 8 1 65.54 75.35 2.77 o -1 8 1 13.79 12.19 2.22 o 0 8 1 341.86 315.24 6.09 o 1 8 1 31.61 31.02 2.77 o 2 8 1 21.23 19.94 2.22 o 3 8 1 30.04 28.25 2.22 o 4 8 1 226.56 219.39 4.99 o 5 8 1 26.57 26.04 2.77 o 6 8 1 103.65 96.95 3.88 o 7 8 1 40.94 38.23 3.32 o 8 8 1 0.12 0.55 2.22 < 9 8 1 7.04 7.76 2.77 < 10 8 1 70.56 72.58 4.43 o 11 8 1 2.70 0.55 2.77 < -11 9 1 87.20 84.21 4.99 o -10 9 1 0.98 1.11 2.77 < -9 9 1 5.98 4.43 2.77 < -8 9 1 20.11 29.36 3.32 o -7 9 1 12.30 10.53 2.22 o -6 9 1 138.28 130.75 4.43 o -5 9 1 54.76 58.17 3.32 o -4 9 1 409.78 341.27 6.65 o -3 9 1 8.21 7.20 2.22 o -2 9 1 1170.76 951.25 12.74 o -1 9 1 2.20 1.11 2.22 < 0 9 1 1540.91 1295.85 17.73 o 1 9 1 0.03 -2.77 1.66 < 2 9 1 2037.15 1801.11 21.05 o 3 9 1 37.22 34.90 2.77 o 4 9 1 1743.13 1554.02 19.39 o 5 9 1 5.16 2.22 2.22 < 6 9 1 1026.47 971.19 13.85 o 7 9 1 65.40 58.17 3.88 o 8 9 1 527.26 508.03 9.97 o 9 9 1 58.12 57.62 4.43 o 10 9 1 135.66 126.87 6.09 o -10 10 1 8.69 7.20 3.32 < -9 10 1 38.27 38.23 3.88 o -8 10 1 200.50 187.81 6.65 o -7 10 1 0.34 -2.77 2.22 < -6 10 1 27.94 31.58 2.77 o -5 10 1 20.51 18.84 2.77 o -4 10 1 0.11 2.22 2.22 < -3 10 1 75.23 68.14 3.32 o -2 10 1 88.57 87.53 3.88 o -1 10 1 4.52 2.22 2.22 < 0 10 1 835.09 802.77 13.30 o 1 10 1 0.04 0.00 2.22 < 2 10 1 65.35 60.39 3.32 o 3 10 1 62.13 58.73 3.32 o 4 10 1 242.80 227.15 6.09 o 5 10 1 0.21 -1.11 2.22 < 6 10 1 124.64 125.21 4.99 o 7 10 1 0.24 1.66 2.77 < 8 10 1 34.95 29.36 3.32 o 9 10 1 42.36 50.42 4.43 o -9 11 1 48.69 53.19 4.43 o -8 11 1 13.36 19.39 3.32 o -7 11 1 18.80 18.28 3.32 o -6 11 1 340.10 334.07 8.31 o -5 11 1 5.33 1.66 2.22 < -4 11 1 127.27 121.33 4.99 o -3 11 1 1.64 1.66 2.22 < -2 11 1 255.29 245.98 6.65 o -1 11 1 1.79 -1.66 2.22 < 0 11 1 4.53 4.43 2.22 < 1 11 1 2.26 3.88 2.22 < 2 11 1 36.39 38.78 3.32 o 3 11 1 0.50 1.66 2.22 < 4 11 1 96.45 100.83 4.99 o 5 11 1 0.39 0.55 2.22 < 6 11 1 50.25 41.55 3.88 o 7 11 1 4.21 3.88 2.77 < 8 11 1 14.43 19.39 3.32 o -7 12 1 0.74 -1.66 2.77 < -6 12 1 131.91 136.84 6.09 o -5 12 1 3.33 2.77 2.77 < -4 12 1 7.22 5.54 2.77 < -3 12 1 43.22 39.34 3.88 o -2 12 1 0.40 -2.22 2.22 < -1 12 1 20.67 14.40 2.77 o 0 12 1 6.26 7.76 2.77 < 1 12 1 0.44 2.77 2.77 < 2 12 1 202.29 191.14 6.65 o 3 12 1 0.28 -3.32 2.22 < 4 12 1 46.13 53.19 3.88 o 5 12 1 7.19 3.88 2.77 < 6 12 1 0.00 0.00 2.77 < 7 12 1 6.65 3.32 4.99 < -5 13 1 10.20 12.74 3.32 o -4 13 1 5.51 2.77 3.32 < -3 13 1 19.68 23.82 3.88 o -2 13 1 815.38 870.91 14.96 o -1 13 1 4.82 6.09 2.77 < 0 13 1 268.01 288.64 7.76 o 1 13 1 2.90 1.11 2.77 < 2 13 1 854.21 896.95 15.51 o 3 13 1 14.97 13.85 3.32 o 4 13 1 717.49 761.22 14.40 o -14 0 2 0.18 2.77 3.88 < -12 0 2 19.85 11.08 3.32 o -10 0 2 0.66 0.55 2.22 < -8 0 2 605.94 588.37 11.63 o -6 0 2 1438.03 1617.18 22.71 o -4 0 2 5441.07 5798.90 54.85 o -2 0 2 1660.44 1806.10 18.28 o 0 0 2 3344.88 3554.02 45.98 o 2 0 2 14456.95 16345.16 159.56 o 4 0 2 8454.03 9459.29 131.30 o 6 0 2 14374.89 15341.28 196.12 o 8 0 2 7834.31 8069.26 105.82 o 10 0 2 3272.24 3228.26 46.54 o 12 0 2 875.14 851.52 18.28 o 14 0 2 397.92 386.70 14.40 o -15 1 2 1.07 4.43 2.77 < -14 1 2 153.30 152.35 6.09 o -13 1 2 47.07 49.31 3.88 o -12 1 2 8.95 12.19 2.22 o -11 1 2 72.15 77.56 3.32 o -10 1 2 0.05 0.55 1.66 < -9 1 2 27.30 27.15 2.22 o -8 1 2 404.49 419.39 6.65 o -7 1 2 70.08 73.13 2.22 o -6 1 2 387.25 387.81 5.54 o -5 1 2 66.59 70.36 1.66 o -4 1 2 20.79 16.62 1.11 o -3 1 2 23.13 17.73 0.55 o -2 1 2 247.80 262.60 2.22 o -1 1 2 0.51 -23.27 0.55 < 0 1 2 283.10 213.85 2.22 o 1 1 2 27.75 24.38 0.55 o 2 1 2 167.13 144.04 1.66 o 3 1 2 26.01 33.24 1.11 o 4 1 2 397.10 430.47 5.54 o 5 1 2 114.25 110.25 2.77 o 6 1 2 1538.56 1579.50 17.17 o 7 1 2 90.78 86.98 2.77 o 8 1 2 0.64 -1.66 1.66 < 9 1 2 23.34 21.61 2.22 o 10 1 2 83.76 89.75 3.88 o 11 1 2 0.02 1.11 2.22 < 12 1 2 35.71 36.01 3.32 o 13 1 2 193.34 191.69 6.09 o 14 1 2 49.16 49.86 4.43 o -14 2 2 711.22 702.49 13.30 o -13 2 2 3.68 7.20 2.77 < -12 2 2 361.59 344.60 7.20 o -11 2 2 8.87 6.65 2.22 o -10 2 2 1751.94 1753.46 19.39 o -9 2 2 3.95 5.54 1.66 o -8 2 2 50.13 57.62 2.77 o -7 2 2 13.07 14.40 1.66 o -6 2 2 17.54 12.19 1.11 o -5 2 2 0.59 0.55 1.11 < -4 2 2 26.28 22.16 1.11 o -3 2 2 172.42 173.96 2.22 o -2 2 2 10.50 8.86 0.55 o -1 2 2 44.73 42.11 1.11 o 0 2 2 541.95 626.59 5.54 o 1 2 2 47.56 48.20 1.11 o 2 2 2 10455.35 11229.92 78.12 o 3 2 2 128.15 120.78 2.22 o 4 2 2 1821.16 1803.33 19.39 o 5 2 2 14.22 8.86 1.11 o 6 2 2 704.01 686.43 8.86 o 7 2 2 100.75 103.05 2.77 o 8 2 2 279.07 273.68 5.54 o 9 2 2 0.07 2.77 1.66 < 10 2 2 215.58 216.62 4.99 o 11 2 2 39.99 39.34 3.32 o 12 2 2 0.00 -2.22 2.22 < 13 2 2 3.58 3.32 2.77 < -14 3 2 21.74 19.39 3.32 o -13 3 2 5.51 12.19 2.77 o -12 3 2 12.79 11.08 2.22 o -11 3 2 78.69 81.44 3.32 o -10 3 2 0.58 2.22 1.66 < -9 3 2 198.99 189.47 4.43 o -8 3 2 59.84 61.50 2.22 o -7 3 2 249.66 243.21 3.88 o -6 3 2 198.20 155.68 3.32 o -5 3 2 98.03 90.30 2.22 o -4 3 2 67.37 56.51 1.66 o -3 3 2 16.15 13.85 1.11 o -2 3 2 6372.19 6508.04 45.98 o -1 3 2 27.13 25.48 1.11 o 0 3 2 2524.14 2622.72 19.39 o 1 3 2 0.27 -2.22 0.55 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36.47 38.78 2.77 o 7 7 2 13.66 13.30 2.22 o 8 7 2 42.42 43.77 3.32 o 9 7 2 0.18 1.66 2.22 < 10 7 2 40.85 38.23 3.32 o 11 7 2 94.46 84.21 4.99 o 12 7 2 55.22 53.19 4.43 o -12 8 2 325.31 327.42 8.86 o -11 8 2 107.58 106.93 5.54 o -10 8 2 243.22 242.11 6.65 o -9 8 2 169.71 167.87 5.54 o -8 8 2 92.52 79.78 3.88 o -7 8 2 145.00 130.19 4.43 o -6 8 2 249.57 232.69 5.54 o -5 8 2 120.99 119.67 3.88 o -4 8 2 492.91 518.01 7.20 o -3 8 2 2.25 0.00 1.66 < -2 8 2 29.84 19.39 2.22 o -1 8 2 0.06 0.55 1.66 < 0 8 2 287.93 240.44 5.54 o 1 8 2 22.46 20.50 2.22 o 2 8 2 426.54 381.16 6.65 o 3 8 2 18.10 21.61 2.22 o 4 8 2 1.81 -0.55 1.66 < 5 8 2 79.80 74.24 3.32 o 6 8 2 109.03 84.76 3.88 o 7 8 2 52.84 55.96 3.32 o 8 8 2 103.84 93.07 4.43 o 9 8 2 243.79 256.51 7.20 o 10 8 2 17.44 14.96 3.32 o 11 8 2 83.49 91.41 5.54 o -11 9 2 19.52 14.96 3.32 o -10 9 2 126.39 132.96 5.54 o -9 9 2 9.66 11.08 2.77 o -8 9 2 12.73 15.51 2.77 o -7 9 2 4.85 2.77 2.22 < -6 9 2 149.84 149.03 4.43 o -5 9 2 0.68 0.00 1.66 < -4 9 2 111.77 113.57 3.88 o -3 9 2 15.01 17.73 2.22 o -2 9 2 0.87 1.66 1.66 < -1 9 2 1.37 1.11 1.66 < 0 9 2 5.50 2.77 2.22 < 1 9 2 2.40 3.88 1.66 < 2 9 2 334.13 335.18 6.65 o 3 9 2 45.49 48.20 2.77 o 4 9 2 45.89 49.31 3.32 o 5 9 2 0.65 2.22 2.22 < 6 9 2 512.53 538.50 9.42 o 7 9 2 9.10 9.97 2.77 o 8 9 2 98.75 86.43 4.43 o 9 9 2 0.08 6.09 2.77 < 10 9 2 0.01 -0.55 2.77 < -10 10 2 8.99 6.65 2.77 < -9 10 2 3.35 3.32 2.77 < -8 10 2 47.67 43.21 3.88 o -7 10 2 2.94 -1.11 2.22 < -6 10 2 87.82 72.58 3.88 o -5 10 2 31.92 31.02 2.77 o -4 10 2 1200.55 1160.11 14.96 o -3 10 2 0.06 -1.66 1.66 < -2 10 2 281.89 271.47 6.65 o -1 10 2 0.09 -1.66 2.22 < 0 10 2 95.27 108.03 4.43 o 1 10 2 1.88 1.66 2.22 < 2 10 2 1.85 1.11 1.66 < 3 10 2 101.91 95.84 3.88 o 4 10 2 736.66 686.43 11.08 o 5 10 2 8.66 6.09 2.22 < 6 10 2 704.74 674.79 11.63 o 7 10 2 53.70 48.20 3.88 o 8 10 2 366.06 345.71 8.86 o 9 10 2 8.08 6.09 3.32 < -9 11 2 4.20 1.11 2.77 < -8 11 2 60.80 64.82 4.43 o -7 11 2 60.34 60.94 4.43 o -6 11 2 2.63 3.32 2.77 < 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28.81 4.43 o -15 0 3 0.14 4.99 3.88 < -13 0 3 88.73 77.01 6.09 o -11 0 3 63.08 66.48 4.43 o -9 0 3 2.86 1.11 1.66 < -7 0 3 102.77 104.71 3.88 o -5 0 3 0.02 0.00 1.11 < -3 0 3 0.11 -2.22 0.55 < -1 0 3 13.55 -16.07 1.11 < 1 0 3 215.15 203.32 2.77 o 3 0 3 28.25 27.70 1.66 o 5 0 3 247.33 259.28 6.09 o 7 0 3 0.33 -2.22 2.22 < 9 0 3 40.45 43.21 3.88 o 11 0 3 136.27 141.83 7.20 o 13 0 3 0.00 -3.32 3.32 < -15 1 3 54.77 58.73 4.99 o -14 1 3 109.56 108.03 5.54 o -13 1 3 123.36 121.88 5.54 o -12 1 3 145.39 146.26 4.43 o -11 1 3 293.00 293.07 5.54 o -10 1 3 5.96 11.63 1.66 o -9 1 3 206.01 207.76 4.43 o -8 1 3 1206.47 1232.69 13.30 o -7 1 3 413.05 428.26 5.54 o -6 1 3 1340.47 1321.33 13.30 o -5 1 3 57.31 57.62 1.66 o -4 1 3 2344.81 2739.61 19.39 o -3 1 3 216.88 215.51 2.22 o -2 1 3 336.22 346.81 2.77 o -1 1 3 0.27 -4.43 0.55 < 0 1 3 11.03 -0.55 0.55 < 1 1 3 144.24 137.95 1.66 o 2 1 3 259.16 245.43 2.22 o 3 1 3 81.58 88.64 1.66 o 4 1 3 1099.58 1226.59 12.19 o 5 1 3 862.77 893.63 10.53 o 6 1 3 2.67 -0.55 1.11 < 7 1 3 538.64 544.04 8.31 o 8 1 3 932.52 994.46 13.30 o 9 1 3 458.19 467.04 7.76 o 10 1 3 123.45 130.19 4.43 o 11 1 3 361.70 347.92 7.76 o 12 1 3 624.42 620.50 11.08 o 13 1 3 92.56 92.52 4.99 o -15 2 3 133.32 138.50 6.65 o -14 2 3 5.49 6.65 2.77 < -13 2 3 42.08 39.34 3.88 o -12 2 3 6.24 5.54 2.22 < -11 2 3 176.75 175.07 4.43 o -10 2 3 3.50 7.76 1.66 o -9 2 3 3.10 4.43 1.66 < -8 2 3 0.11 -1.11 1.11 < -7 2 3 0.53 0.55 1.11 < -6 2 3 1502.11 1563.44 14.96 o -5 2 3 38.62 40.44 1.11 o -4 2 3 1135.91 1249.86 9.97 o -3 2 3 61.80 58.17 1.11 o -2 2 3 6500.95 6419.95 42.11 o -1 2 3 32.65 27.15 0.55 o 0 2 3 2513.73 2736.29 22.16 o 1 2 3 52.26 48.75 1.11 o 2 2 3 181.36 187.81 2.22 o 3 2 3 73.52 81.44 2.22 o 4 2 3 920.63 852.63 9.42 o 5 2 3 15.77 14.40 1.66 o 6 2 3 271.16 265.93 4.43 o 7 2 3 95.47 96.40 2.77 o 8 2 3 489.14 490.86 7.20 o 9 2 3 52.98 55.40 2.77 o 10 2 3 7.89 7.76 2.22 o 11 2 3 8.70 7.20 2.22 o 12 2 3 51.85 50.42 3.88 o 13 2 3 61.43 63.16 4.43 o -14 3 3 194.09 197.78 7.20 o -13 3 3 44.55 43.77 3.88 o -12 3 3 171.18 179.50 5.54 o -11 3 3 13.51 11.08 2.22 o -10 3 3 1034.54 1013.30 12.19 o -9 3 3 197.46 210.53 4.43 o -8 3 3 2698.04 2805.54 26.04 o -7 3 3 10.91 12.19 1.66 o -6 3 3 367.85 438.78 5.54 o -5 3 3 179.55 187.26 2.77 o -4 3 3 0.01 0.55 0.55 < -3 3 3 8.03 8.31 0.55 o -2 3 3 3857.95 4348.48 30.47 o -1 3 3 8.02 6.65 0.55 o 0 3 3 17537.75 19053.20 154.57 o 1 3 3 4.13 2.77 0.55 o 2 3 3 3656.89 4003.88 38.23 o 3 3 3 64.54 55.40 1.66 o 4 3 3 902.56 850.42 9.42 o 5 3 3 7.35 3.88 1.11 o 6 3 3 1.28 4.99 1.66 < 7 3 3 40.23 39.89 2.22 o 8 3 3 907.41 929.64 12.19 o 9 3 3 2.03 3.32 1.66 < 10 3 3 308.85 315.79 7.20 o 11 3 3 5.23 8.31 2.22 o 12 3 3 128.13 138.50 5.54 o 13 3 3 7.04 10.53 3.32 o -14 4 3 5.33 7.20 2.77 < -13 4 3 68.97 78.67 4.43 o -12 4 3 197.11 221.61 6.09 o -11 4 3 0.63 2.22 1.66 < -10 4 3 4.36 3.32 1.66 < -9 4 3 0.89 -0.55 1.66 < -8 4 3 927.16 867.04 9.97 o -7 4 3 191.64 187.26 3.88 o -6 4 3 183.68 192.80 3.88 o -5 4 3 68.22 65.93 2.22 o -4 4 3 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995.50 1044.32 12.74 o 7 5 3 57.57 53.74 2.77 o 8 5 3 816.06 825.49 11.63 o 9 5 3 66.27 65.93 3.88 o 10 5 3 312.66 316.34 7.20 o 11 5 3 30.17 39.34 3.32 o 12 5 3 411.46 419.39 9.42 o -13 6 3 6.00 9.97 2.77 o -12 6 3 83.60 87.53 4.43 o -11 6 3 7.93 7.76 2.22 o -10 6 3 595.84 608.31 9.42 o -9 6 3 115.48 124.10 3.88 o -8 6 3 3.49 1.66 1.66 < -7 6 3 34.75 37.12 2.22 o -6 6 3 54.12 58.17 2.77 o -5 6 3 81.11 78.12 2.77 o -4 6 3 139.26 142.38 3.32 o -3 6 3 14.09 14.40 1.66 o -2 6 3 1245.72 1237.12 12.74 o -1 6 3 34.17 35.46 2.22 o 0 6 3 0.21 -1.66 1.11 < 1 6 3 48.40 52.63 2.22 o 2 6 3 299.45 303.60 5.54 o 3 6 3 0.20 1.11 1.66 < 4 6 3 24.49 24.93 2.22 o 5 6 3 0.94 0.00 1.66 < 6 6 3 106.53 95.84 3.88 o 7 6 3 108.24 98.06 3.88 o 8 6 3 6.91 1.66 2.22 < 9 6 3 18.64 17.73 2.77 o 10 6 3 174.43 182.27 6.09 o 11 6 3 58.00 58.17 4.43 o 12 6 3 7.75 12.74 3.32 o -13 7 3 0.04 -0.55 2.77 < -12 7 3 1822.42 1797.23 23.27 o -11 7 3 3.25 4.43 2.22 < -10 7 3 1213.69 1188.37 15.51 o -9 7 3 25.00 24.93 2.77 o -8 7 3 2667.09 2651.53 32.69 o -7 7 3 39.81 34.35 2.77 o -6 7 3 2331.58 2328.53 24.93 o -5 7 3 0.00 1.11 1.11 < -4 7 3 1505.80 1528.53 16.07 o -3 7 3 1.71 4.43 1.66 < -2 7 3 479.58 473.68 7.20 o -1 7 3 0.03 0.55 1.66 < 0 7 3 268.75 257.06 4.99 o 1 7 3 1.37 0.55 1.66 < 2 7 3 94.67 111.36 3.32 o 3 7 3 6.39 4.43 1.66 < 4 7 3 6.85 7.76 1.66 o 5 7 3 8.19 3.88 1.66 < 6 7 3 374.52 395.01 7.20 o 7 7 3 15.86 19.39 2.77 o 8 7 3 55.58 52.63 3.32 o 9 7 3 10.00 12.74 2.77 o 10 7 3 101.58 101.94 5.54 o 11 7 3 2.17 2.22 2.77 < -12 8 3 0.05 1.66 2.77 < -11 8 3 9.65 8.86 2.77 o -10 8 3 1.21 2.22 2.77 < -9 8 3 54.52 54.85 3.88 o -8 8 3 352.99 333.52 7.20 o -7 8 3 67.62 67.04 3.32 o -6 8 3 267.85 257.06 5.54 o -5 8 3 49.18 45.43 2.22 o -4 8 3 2348.53 2289.75 22.71 o -3 8 3 35.19 35.46 2.22 o -2 8 3 122.60 121.33 3.88 o -1 8 3 22.56 19.94 2.22 o 0 8 3 667.62 608.86 9.42 o 1 8 3 7.27 6.65 1.66 o 2 8 3 244.04 262.05 5.54 o 3 8 3 0.98 1.66 1.66 < 4 8 3 147.26 150.69 4.43 o 5 8 3 4.13 8.31 2.22 o 6 8 3 429.55 436.01 8.31 o 7 8 3 22.89 21.61 2.77 o 8 8 3 27.70 26.04 3.32 o 9 8 3 0.56 -1.11 2.22 < 10 8 3 43.82 44.88 3.88 o 11 8 3 5.76 7.20 3.32 < -11 9 3 15.42 16.07 3.32 o -10 9 3 137.48 139.06 6.09 o -9 9 3 42.66 40.44 3.32 o -8 9 3 108.01 100.28 4.43 o -7 9 3 0.20 1.11 2.22 < -6 9 3 136.64 140.17 4.43 o -5 9 3 3.75 2.77 1.66 < -4 9 3 64.65 73.13 3.32 o -3 9 3 1.59 -1.11 1.66 < -2 9 3 79.97 83.10 3.88 o -1 9 3 2.22 2.22 2.22 < 0 9 3 117.83 105.82 4.43 o 1 9 3 4.90 3.88 2.22 < 2 9 3 105.63 103.05 3.88 o 3 9 3 7.95 5.54 2.22 < 4 9 3 271.41 254.29 6.09 o 5 9 3 2.78 -0.55 2.22 < 6 9 3 341.87 324.65 7.76 o 7 9 3 13.59 13.85 2.77 o 8 9 3 506.07 479.22 9.97 o 9 9 3 3.21 1.11 2.77 < 10 9 3 453.05 427.15 9.97 o -10 10 3 62.71 65.37 4.43 o -9 10 3 10.06 10.53 3.32 o -8 10 3 8.40 6.65 2.77 < -7 10 3 0.94 0.00 2.22 < -6 10 3 152.61 150.69 4.99 o -5 10 3 18.01 13.30 2.77 o -4 10 3 129.88 113.02 4.43 o -3 10 3 0.37 0.55 1.66 < -2 10 3 86.75 104.71 4.43 o -1 10 3 75.17 72.02 3.88 o 0 10 3 156.63 144.60 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115.24 1.66 o -3 1 4 63.38 69.25 1.11 o -2 1 4 309.68 375.07 3.32 o -1 1 4 1.39 1.11 1.11 < 0 1 4 2844.09 2875.90 22.16 o 1 1 4 6.43 1.11 0.55 < 2 1 4 122.29 122.99 1.66 o 3 1 4 271.39 294.18 3.32 o 4 1 4 1227.11 1210.53 11.63 o 5 1 4 0.60 1.66 1.11 < 6 1 4 130.07 127.98 3.32 o 7 1 4 164.27 167.31 4.43 o 8 1 4 165.18 168.98 4.43 o 9 1 4 33.14 30.47 2.77 o 10 1 4 5.22 4.43 2.22 < 11 1 4 5.21 9.42 2.77 o 12 1 4 160.15 171.19 5.54 o 13 1 4 23.29 22.16 3.32 o -15 2 4 14.30 16.62 3.32 o -14 2 4 173.18 172.85 6.65 o -13 2 4 6.14 8.86 2.77 o -12 2 4 37.69 38.78 2.77 o -11 2 4 29.66 34.35 2.77 o -10 2 4 180.80 184.49 3.88 o -9 2 4 81.09 80.89 2.77 o -8 2 4 1980.16 2118.01 20.50 o -7 2 4 45.73 46.54 1.66 o -6 2 4 3868.47 4173.41 36.57 o -5 2 4 30.07 34.90 1.11 o -4 2 4 11293.95 12206.10 81.99 o -3 2 4 38.75 38.78 1.11 o -2 2 4 16443.46 18012.75 132.41 o -1 2 4 8.44 8.31 0.55 o 0 2 4 7709.32 8505.82 62.60 o 1 2 4 85.02 88.64 1.66 o 2 2 4 45.24 55.96 1.66 o 3 2 4 70.07 78.67 2.22 o 4 2 4 315.89 360.67 5.54 o 5 2 4 6.18 4.99 1.11 o 6 2 4 956.61 950.14 11.08 o 7 2 4 10.58 13.30 1.66 o 8 2 4 0.81 1.66 1.66 < 9 2 4 61.69 57.62 3.32 o 10 2 4 0.12 -1.11 1.66 < 11 2 4 21.47 15.51 2.77 o 12 2 4 0.02 0.55 2.77 < 13 2 4 84.92 70.91 4.99 o -14 3 4 0.10 -0.55 2.77 < -13 3 4 0.02 5.54 2.77 < -12 3 4 19.19 21.05 2.77 o -11 3 4 6.31 4.43 1.66 < -10 3 4 114.34 115.24 3.32 o -9 3 4 10.88 9.97 1.66 o -8 3 4 28.90 28.25 1.66 o -7 3 4 17.21 19.39 1.66 o -6 3 4 3628.92 3746.82 33.24 o -5 3 4 34.34 35.46 1.11 o -4 3 4 54.12 60.94 1.11 o -3 3 4 0.44 -0.55 0.55 < -2 3 4 3555.61 4014.96 29.36 o -1 3 4 1.13 1.66 0.55 o 0 3 4 515.50 447.09 4.99 o 1 3 4 102.62 98.62 2.22 o 2 3 4 24.35 21.61 1.11 o 3 3 4 30.69 28.81 1.66 o 4 3 4 418.24 396.12 5.54 o 5 3 4 2.55 3.32 1.11 o 6 3 4 0.37 2.22 1.66 < 7 3 4 66.23 69.25 2.77 o 8 3 4 0.33 -1.66 1.66 < 9 3 4 90.29 91.41 3.88 o 10 3 4 39.14 42.11 3.32 o 11 3 4 22.76 23.82 3.32 o 12 3 4 85.47 89.75 4.99 o 13 3 4 16.84 15.51 3.32 o -14 4 4 29.81 34.35 3.88 o -13 4 4 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1.66 o -2 5 4 24.93 23.82 1.11 o -1 5 4 0.64 -0.55 1.11 < 0 5 4 936.06 886.43 8.86 o 1 5 4 61.96 59.28 2.22 o 2 5 4 81.77 94.74 2.77 o 3 5 4 10.44 9.42 1.66 o 4 5 4 4.44 4.43 1.66 < 5 5 4 1.05 0.00 1.66 < 6 5 4 95.46 88.64 3.32 o 7 5 4 88.96 89.75 3.32 o 8 5 4 47.20 42.11 2.77 o 9 5 4 0.06 2.77 2.22 < 10 5 4 0.16 0.00 2.22 < 11 5 4 56.21 65.93 4.43 o 12 5 4 13.99 17.73 3.32 o -13 6 4 6.74 7.20 2.77 < -12 6 4 354.10 368.98 8.31 o -11 6 4 32.77 31.58 2.77 o -10 6 4 1627.21 1580.06 18.28 o -9 6 4 92.64 83.10 3.32 o -8 6 4 3368.50 3253.74 33.24 o -7 6 4 187.81 186.15 4.43 o -6 6 4 2836.01 2737.95 28.25 o -5 6 4 236.76 229.92 3.88 o -4 6 4 2332.99 2244.88 21.61 o -3 6 4 19.35 17.73 1.66 o -2 6 4 50.09 41.00 2.22 o -1 6 4 4.89 5.54 1.66 o 0 6 4 2.41 0.55 1.11 < 1 6 4 79.30 78.12 2.77 o 2 6 4 1676.95 1661.50 19.39 o 3 6 4 29.70 28.81 2.22 o 4 6 4 9.00 13.85 2.22 o 5 6 4 40.60 40.44 2.77 o 6 6 4 728.57 712.47 10.53 o 7 6 4 2.63 -2.22 1.66 < 8 6 4 46.55 43.77 3.32 o 9 6 4 95.35 92.52 4.43 o 10 6 4 49.82 48.20 3.88 o 11 6 4 94.82 82.55 4.99 o -13 7 4 285.07 289.75 8.31 o -12 7 4 1.86 -1.11 2.22 < -11 7 4 117.04 118.56 4.99 o -10 7 4 35.73 33.80 2.77 o -9 7 4 143.67 139.06 4.99 o -8 7 4 331.73 341.83 6.65 o -7 7 4 11.61 16.07 2.22 o -6 7 4 1.62 1.66 1.66 < -5 7 4 43.99 44.88 2.22 o -4 7 4 264.65 269.25 4.43 o -3 7 4 29.96 24.38 2.22 o -2 7 4 600.27 649.31 9.42 o -1 7 4 42.89 43.77 2.77 o 0 7 4 920.55 946.26 12.74 o 1 7 4 5.33 6.09 1.66 o 2 7 4 680.59 643.21 9.42 o 3 7 4 66.64 75.35 3.32 o 4 7 4 367.11 361.22 6.65 o 5 7 4 7.79 2.22 1.66 < 6 7 4 28.69 26.59 2.77 o 7 7 4 54.32 47.09 3.32 o 8 7 4 165.40 157.89 5.54 o 9 7 4 4.07 6.65 2.77 < 10 7 4 25.38 26.59 3.88 o 11 7 4 12.40 12.19 3.32 o -12 8 4 42.46 39.89 3.88 o -11 8 4 226.52 222.71 6.65 o -10 8 4 655.82 639.89 11.63 o -9 8 4 125.45 121.88 4.99 o -8 8 4 282.74 290.30 6.09 o -7 8 4 156.90 150.14 4.43 o -6 8 4 1100.16 1085.32 13.85 o -5 8 4 13.88 13.85 1.66 o -4 8 4 915.25 874.24 10.53 o -3 8 4 19.64 18.28 2.22 o -2 8 4 3.48 6.65 1.66 o -1 8 4 14.72 12.19 2.22 o 0 8 4 137.39 143.49 4.43 o 1 8 4 2.41 3.32 1.66 < 2 8 4 239.41 223.82 4.99 o 3 8 4 70.25 67.59 3.32 o 4 8 4 90.66 86.98 3.88 o 5 8 4 161.48 155.12 4.99 o 6 8 4 11.57 11.08 2.22 o 7 8 4 219.70 208.86 6.09 o 8 8 4 5.88 0.55 2.22 < 9 8 4 148.92 152.35 6.09 o 10 8 4 71.41 76.45 4.99 o -11 9 4 5.44 5.54 2.77 < -10 9 4 190.58 183.38 6.09 o -9 9 4 0.64 7.20 2.77 < -8 9 4 173.88 180.61 5.54 o -7 9 4 0.31 -0.55 1.66 < -6 9 4 134.37 128.53 4.43 o -5 9 4 12.59 14.96 2.22 o -4 9 4 496.63 494.18 8.31 o -3 9 4 20.73 22.71 2.22 o -2 9 4 0.42 0.00 1.66 < -1 9 4 46.45 44.88 3.32 o 0 9 4 67.56 70.36 3.32 o 1 9 4 0.92 1.66 1.66 < 2 9 4 1122.23 1077.56 14.40 o 3 9 4 0.68 0.55 1.66 < 4 9 4 152.52 148.48 4.99 o 5 9 4 19.50 19.39 2.77 o 6 9 4 96.95 89.20 4.43 o 7 9 4 41.47 46.54 3.88 o 8 9 4 57.23 49.86 3.88 o 9 9 4 0.02 1.66 2.77 < -10 10 4 423.01 443.21 9.42 o -9 10 4 12.39 9.97 2.77 o -8 10 4 408.74 429.36 8.86 o -7 10 4 15.03 16.07 2.77 o -6 10 4 743.75 744.04 12.19 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226.57 244.32 7.20 o 1 12 4 23.42 17.73 3.32 o 2 12 4 34.80 41.55 3.88 o 3 12 4 1.56 0.00 2.77 < 4 12 4 392.14 391.14 9.97 o 5 12 4 48.72 52.08 4.99 o -4 13 4 15.21 17.73 3.88 o -3 13 4 15.51 18.28 3.88 o -2 13 4 4.15 4.99 3.32 < -1 13 4 17.03 9.97 3.32 < 0 13 4 46.71 50.42 4.43 o 1 13 4 3.67 6.65 3.32 < 2 13 4 0.04 1.66 3.32 < 3 13 4 2.09 4.43 6.65 < -15 0 5 34.91 21.61 4.99 o -13 0 5 20.95 22.71 4.43 o -11 0 5 188.89 204.99 7.20 o -9 0 5 190.95 180.06 6.09 o -7 0 5 406.67 426.04 8.31 o -5 0 5 0.06 -6.09 1.11 < -3 0 5 0.01 -8.31 0.55 < -1 0 5 99.36 103.60 2.22 o 1 0 5 114.74 121.33 2.22 o 3 0 5 214.14 209.42 4.43 o 5 0 5 116.29 119.67 3.88 o 7 0 5 81.29 85.87 4.43 o 9 0 5 542.19 541.27 13.85 o 11 0 5 49.69 39.89 4.99 o -15 1 5 70.43 70.91 4.99 o -14 1 5 17.51 21.61 3.32 o -13 1 5 3.10 2.77 2.22 < -12 1 5 146.26 144.04 4.99 o -11 1 5 117.52 114.68 3.88 o -10 1 5 411.59 386.15 6.65 o -9 1 5 58.99 55.40 2.22 o -8 1 5 28.82 26.59 1.66 o -7 1 5 462.53 480.33 6.09 o -6 1 5 153.99 142.94 2.22 o -5 1 5 88.46 91.97 1.66 o -4 1 5 3480.66 3621.05 24.93 o -3 1 5 36.05 39.89 1.11 o -2 1 5 38.60 39.34 1.11 o -1 1 5 27.57 28.81 1.66 o 0 1 5 300.41 303.05 2.77 o 1 1 5 148.41 152.91 1.66 o 2 1 5 8265.36 8633.80 62.60 o 3 1 5 47.35 48.75 1.66 o 4 1 5 430.95 463.16 6.09 o 5 1 5 0.03 -1.11 1.11 < 6 1 5 1577.45 1548.48 16.62 o 7 1 5 144.34 145.71 3.88 o 8 1 5 3.46 3.88 1.66 < 9 1 5 77.29 78.67 3.88 o 10 1 5 75.88 70.36 3.88 o 11 1 5 318.72 316.34 7.76 o 12 1 5 196.67 185.60 6.65 o -15 2 5 91.48 87.53 4.99 o -14 2 5 27.29 26.04 3.32 o -13 2 5 53.58 54.29 3.88 o -12 2 5 202.51 209.97 5.54 o -11 2 5 29.55 26.59 2.22 o -10 2 5 25.14 30.47 2.22 o -9 2 5 25.76 29.36 2.22 o -8 2 5 592.86 537.95 7.20 o -7 2 5 1.03 0.00 1.11 < -6 2 5 529.00 523.55 5.54 o -5 2 5 47.13 47.65 1.11 o -4 2 5 532.65 591.14 4.99 o -3 2 5 27.21 27.15 1.11 o -2 2 5 423.87 473.68 4.43 o -1 2 5 3.48 5.54 0.55 o 0 2 5 14.33 21.61 1.11 o 1 2 5 5.83 7.76 0.55 o 2 2 5 138.99 142.94 2.22 o 3 2 5 11.34 11.08 1.11 o 4 2 5 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3325.55 3798.34 34.90 o 1 3 7 121.00 122.99 2.77 o 2 3 7 1457.90 1633.80 17.17 o 3 3 7 3.67 4.43 1.11 o 4 3 7 449.97 474.79 6.65 o 5 3 7 224.79 231.03 4.43 o 6 3 7 514.19 534.63 7.76 o 7 3 7 0.40 1.66 1.66 < 8 3 7 21.49 24.93 2.77 o 9 3 7 231.06 235.46 6.09 o 10 3 7 11.80 12.19 2.77 o 11 3 7 20.06 16.62 3.32 o -14 4 7 16.38 17.17 3.32 o -13 4 7 219.26 224.93 6.65 o -12 4 7 86.33 95.84 4.43 o -11 4 7 69.32 65.93 3.32 o -10 4 7 0.72 0.00 1.66 < -9 4 7 102.72 99.72 3.32 o -8 4 7 8.55 6.65 1.66 o -7 4 7 9.16 9.42 1.11 o -6 4 7 22.67 24.38 1.11 o -5 4 7 0.45 0.00 1.11 < -4 4 7 0.40 1.11 1.11 < -3 4 7 11.45 10.53 1.11 o -2 4 7 21.89 34.90 1.11 o -1 4 7 0.22 0.00 1.11 < 0 4 7 2448.53 2474.79 26.59 o 1 4 7 42.62 43.21 1.66 o 2 4 7 24.91 31.02 1.66 o 3 4 7 59.43 64.82 2.77 o 4 4 7 1317.20 1253.74 14.96 o 5 4 7 180.63 178.39 4.43 o 6 4 7 28.92 31.02 2.22 o 7 4 7 48.57 47.09 2.77 o 8 4 7 19.03 14.40 2.22 o 9 4 7 12.04 11.08 2.77 o 10 4 7 17.75 18.84 2.77 o 11 4 7 7.29 9.42 2.77 o -14 5 7 195.32 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12.19 1.66 o 1 6 7 1.96 2.22 1.66 < 2 6 7 390.25 380.61 6.65 o 3 6 7 0.02 -1.11 1.66 < 4 6 7 62.58 59.83 2.77 o 5 6 7 31.02 28.81 2.77 o 6 6 7 30.27 25.48 2.77 o 7 6 7 203.72 200.00 6.09 o 8 6 7 17.46 13.85 2.77 o 9 6 7 34.78 35.46 3.88 o 10 6 7 52.14 58.17 4.43 o -13 7 7 18.22 17.73 3.88 o -12 7 7 30.30 37.67 4.43 o -11 7 7 7.17 6.65 2.77 < -10 7 7 30.75 31.02 2.77 o -9 7 7 17.94 16.07 2.22 o -8 7 7 53.40 55.96 2.77 o -7 7 7 0.16 1.11 1.66 < -6 7 7 22.92 19.94 1.66 o -5 7 7 3.35 3.32 1.66 < -4 7 7 12.96 14.96 1.66 o -3 7 7 10.46 10.53 1.66 o -2 7 7 1882.94 1771.19 19.39 o -1 7 7 28.22 24.93 1.66 o 0 7 7 1440.38 1430.47 17.17 o 1 7 7 10.26 11.08 1.66 o 2 7 7 4441.94 4400.00 47.65 o 3 7 7 0.62 2.77 1.66 < 4 7 7 4248.30 4273.13 49.31 o 5 7 7 1.66 3.88 2.22 < 6 7 7 1943.93 1896.40 24.93 o 7 7 7 5.28 7.20 2.77 < 8 7 7 1517.35 1501.39 21.61 o 9 7 7 29.29 32.13 3.88 o -12 8 7 203.70 203.32 7.76 o -11 8 7 8.44 7.20 2.77 < -10 8 7 1.75 -0.55 2.22 < -9 8 7 11.95 9.97 2.77 o -8 8 7 81.96 84.76 3.88 o -7 8 7 5.00 4.99 2.22 < -6 8 7 140.54 139.61 3.88 o -5 8 7 2.72 3.88 1.66 < -4 8 7 807.36 782.27 11.08 o -3 8 7 17.35 17.73 2.22 o -2 8 7 0.66 0.00 1.66 < -1 8 7 59.11 65.37 3.32 o 0 8 7 72.71 64.82 2.77 o 1 8 7 24.05 22.71 2.22 o 2 8 7 116.11 122.44 4.43 o 3 8 7 0.98 0.00 2.22 < 4 8 7 3.71 2.77 2.22 < 5 8 7 68.25 68.14 3.88 o 6 8 7 67.03 66.48 3.88 o 7 8 7 38.61 31.02 3.32 o 8 8 7 41.79 48.20 4.43 o 9 8 7 38.42 31.02 4.43 o -11 9 7 2.61 -3.88 2.77 < -10 9 7 124.06 125.21 6.09 o -9 9 7 0.15 2.22 2.22 < -8 9 7 116.19 125.76 4.99 o -7 9 7 7.67 6.09 2.22 < -6 9 7 65.03 58.73 3.32 o -5 9 7 10.73 11.08 2.22 o -4 9 7 131.84 119.67 4.43 o -3 9 7 0.08 -1.11 1.66 < -2 9 7 156.10 142.38 4.43 o -1 9 7 0.00 -2.77 1.66 < 0 9 7 226.08 244.88 5.54 o 1 9 7 59.94 54.85 3.32 o 2 9 7 334.43 342.38 7.20 o 3 9 7 1.18 1.11 2.22 < 4 9 7 232.53 250.97 6.65 o 5 9 7 123.01 130.19 5.54 o 6 9 7 174.58 186.15 6.65 o 7 9 7 1.16 2.77 2.77 < 8 9 7 41.54 36.01 4.43 o -10 10 7 137.48 139.06 6.65 o -9 10 7 45.73 47.09 4.43 o -8 10 7 200.11 198.34 6.65 o -7 10 7 23.44 26.04 3.88 o -6 10 7 54.02 57.62 3.88 o -5 10 7 8.55 8.31 2.77 < -4 10 7 131.05 140.72 5.54 o -3 10 7 0.00 0.00 2.22 < -2 10 7 133.27 150.69 5.54 o -1 10 7 51.93 48.75 3.88 o 0 10 7 29.38 37.12 3.32 o 1 10 7 0.56 -1.11 2.22 < 2 10 7 248.00 243.21 7.20 o 3 10 7 7.60 2.77 2.77 < 4 10 7 1.12 6.65 2.77 < 5 10 7 7.18 7.76 3.32 < 6 10 7 2.13 -1.11 3.32 < -8 11 7 120.27 123.55 6.09 o -7 11 7 1.59 1.11 3.32 < -6 11 7 56.62 53.19 4.99 o -5 11 7 0.11 8.86 3.32 < -4 11 7 293.69 303.05 8.86 o -3 11 7 0.02 -5.54 2.77 < -2 11 7 28.18 33.80 3.88 o -1 11 7 0.71 0.55 2.77 < 0 11 7 1.33 1.66 2.77 < 1 11 7 0.29 1.11 2.77 < 2 11 7 239.75 257.62 7.76 o 3 11 7 7.00 13.85 3.32 o 4 11 7 225.50 248.75 8.86 o 5 11 7 74.63 77.01 6.09 o -6 12 7 7.24 5.54 3.32 < -5 12 7 6.21 9.97 3.88 < -4 12 7 44.79 54.85 4.99 o -3 12 7 29.99 32.69 3.88 o -2 12 7 24.48 27.70 3.88 o -1 12 7 21.31 14.96 3.88 o 0 12 7 79.60 77.01 5.54 o 1 12 7 2.09 -1.66 3.32 < 2 12 7 349.24 364.54 10.53 o 3 12 7 1.20 0.55 3.32 < -14 0 8 1676.89 1591.69 28.81 o -12 0 8 509.54 487.53 12.19 o -10 0 8 3182.26 3136.29 43.77 o -8 0 8 85.32 103.60 3.88 o -6 0 8 1114.48 1116.90 12.19 o -4 0 8 540.61 477.56 6.09 o -2 0 8 41.68 34.90 1.11 o 0 0 8 387.01 369.53 5.54 o 2 0 8 288.73 300.28 5.54 o 4 0 8 205.25 222.16 5.54 o 6 0 8 106.51 106.37 4.43 o 8 0 8 465.45 460.94 12.74 o 10 0 8 9.05 4.99 3.88 < -15 1 8 28.58 27.15 3.32 o -14 1 8 118.55 124.65 4.99 o -13 1 8 11.34 12.74 2.22 o -12 1 8 2.34 3.32 2.22 < -11 1 8 65.07 64.82 2.77 o -10 1 8 147.15 135.18 3.32 o -9 1 8 5.12 6.65 1.66 o -8 1 8 253.79 251.52 3.88 o -7 1 8 46.80 49.86 1.66 o -6 1 8 344.05 382.83 4.43 o -5 1 8 0.00 0.00 0.55 < -4 1 8 376.84 408.31 4.43 o -3 1 8 2.48 2.77 1.11 < -2 1 8 2105.23 2195.57 25.48 o -1 1 8 8.00 7.20 1.11 o 0 1 8 123.98 132.96 2.22 o 1 1 8 4.08 1.66 1.11 < 2 1 8 283.39 269.25 3.88 o 3 1 8 17.94 19.39 1.66 o 4 1 8 241.31 216.07 3.88 o 5 1 8 60.62 59.28 2.22 o 6 1 8 242.37 234.90 4.99 o 7 1 8 1.31 2.22 1.66 < 8 1 8 18.86 15.51 2.77 o 9 1 8 50.97 60.39 3.88 o 10 1 8 10.50 7.76 2.77 < 11 1 8 8.83 5.54 2.77 < -15 2 8 12.49 8.86 3.32 < -14 2 8 6.75 8.31 2.77 < -13 2 8 22.42 16.62 2.77 o -12 2 8 158.56 155.12 4.43 o -11 2 8 52.15 56.51 2.77 o -10 2 8 101.73 96.40 3.32 o -9 2 8 0.02 0.00 1.11 < -8 2 8 1.14 2.22 1.11 < -7 2 8 3.07 3.88 1.11 o -6 2 8 574.45 602.22 6.65 o -5 2 8 7.67 8.31 1.11 o -4 2 8 68.53 83.10 2.22 o -3 2 8 1.75 1.11 1.11 < -2 2 8 133.27 131.86 3.32 o -1 2 8 2.26 1.66 1.11 < 0 2 8 695.52 772.30 8.31 o 1 2 8 0.05 0.00 1.11 < 2 2 8 3534.40 3755.68 36.57 o 3 2 8 19.02 19.39 1.66 o 4 2 8 1511.21 1555.68 17.17 o 5 2 8 18.39 22.71 1.66 o 6 2 8 2055.31 2058.17 21.61 o 7 2 8 24.84 23.27 2.22 o 8 2 8 534.04 514.68 8.86 o 9 2 8 3.45 3.32 2.22 < 10 2 8 104.82 94.18 4.99 o 11 2 8 3.86 3.32 2.77 < -14 3 8 36.50 34.35 3.88 o -13 3 8 11.59 9.97 2.77 o -12 3 8 0.45 -1.11 1.66 < -11 3 8 88.13 84.21 3.32 o -10 3 8 9.79 11.08 1.66 o -9 3 8 97.17 90.86 3.32 o -8 3 8 169.96 170.08 3.32 o 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880.33 11.63 o 5 4 8 0.10 -1.11 1.66 < 6 4 8 301.15 305.26 6.09 o 7 4 8 9.02 9.97 2.22 o 8 4 8 132.30 139.61 4.99 o 9 4 8 0.07 1.11 2.22 < 10 4 8 0.08 2.22 2.77 < -14 5 8 4.02 3.32 2.77 < -13 5 8 109.05 120.22 5.54 o -12 5 8 24.86 19.39 2.77 o -11 5 8 0.28 1.66 2.22 < -10 5 8 215.10 229.36 5.54 o -9 5 8 10.63 10.53 1.66 o -8 5 8 75.18 86.43 2.77 o -7 5 8 23.27 23.27 1.66 o -6 5 8 209.17 192.80 3.88 o -5 5 8 2.49 3.32 1.11 o -4 5 8 381.14 358.45 4.99 o -3 5 8 62.50 60.94 2.22 o -2 5 8 378.12 360.11 4.99 o -1 5 8 4.52 6.09 1.11 o 0 5 8 804.94 711.91 9.42 o 1 5 8 19.32 19.39 1.66 o 2 5 8 0.40 0.00 1.11 < 3 5 8 3.87 2.77 1.66 < 4 5 8 101.64 97.51 3.32 o 5 5 8 1.98 2.22 1.66 < 6 5 8 741.18 744.60 11.63 o 7 5 8 60.95 75.35 3.88 o 8 5 8 280.13 279.22 6.65 o 9 5 8 7.32 4.99 2.77 < 10 5 8 101.05 86.43 4.99 o -13 6 8 147.49 148.48 6.09 o -12 6 8 0.01 -2.22 2.22 < -11 6 8 73.46 69.25 3.88 o -10 6 8 280.35 263.16 6.09 o -9 6 8 17.98 12.74 2.22 o -8 6 8 153.37 144.04 3.88 o -7 6 8 0.14 2.22 1.66 < 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8 30.31 20.50 3.88 o -12 8 8 0.28 1.11 3.32 < -11 8 8 44.02 41.00 3.88 o -10 8 8 494.03 486.98 10.53 o -9 8 8 30.71 29.92 3.32 o -8 8 8 29.98 30.47 3.32 o -7 8 8 27.86 25.48 2.77 o -6 8 8 303.59 316.34 6.65 o -5 8 8 9.80 7.76 2.22 o -4 8 8 339.19 331.86 6.65 o -3 8 8 8.24 9.97 2.22 o -2 8 8 2.26 2.22 1.66 < -1 8 8 10.67 8.31 1.66 o 0 8 8 17.20 14.40 2.22 o 1 8 8 24.03 21.05 2.22 o 2 8 8 130.79 125.21 3.88 o 3 8 8 86.55 86.43 3.88 o 4 8 8 499.95 484.76 8.86 o 5 8 8 24.78 23.82 3.32 o 6 8 8 280.85 278.67 8.31 o 7 8 8 153.70 138.50 6.09 o 8 8 8 89.84 90.30 5.54 o -11 9 8 21.92 19.39 3.88 o -10 9 8 27.13 26.04 3.88 o -9 9 8 0.33 1.66 2.77 < -8 9 8 0.77 2.77 2.77 < -7 9 8 4.49 1.66 2.77 < -6 9 8 2.36 3.32 2.22 < -5 9 8 24.61 18.28 3.32 o -4 9 8 57.55 44.88 3.88 o -3 9 8 3.72 2.22 2.77 < -2 9 8 339.34 345.15 8.86 o -1 9 8 19.67 23.27 2.77 o 0 9 8 118.05 113.57 4.43 o 1 9 8 27.06 25.48 2.77 o 2 9 8 539.09 536.29 9.97 o 3 9 8 2.26 1.66 2.22 < 4 9 8 5.10 6.65 2.77 < 5 9 8 3.93 1.66 2.77 < 6 9 8 35.78 44.32 4.43 o 7 9 8 4.15 -0.55 3.32 < -10 10 8 1.16 4.43 5.54 < -9 10 8 12.99 16.07 3.88 o -8 10 8 1.13 1.11 2.77 < -7 10 8 30.31 29.36 3.88 o -6 10 8 173.38 181.72 6.65 o -5 10 8 8.13 4.43 2.77 < -4 10 8 510.15 455.40 10.53 o -3 10 8 3.83 1.11 2.77 < -2 10 8 66.56 77.56 4.43 o -1 10 8 0.03 -1.11 2.22 < 0 10 8 23.29 26.04 3.88 o 1 10 8 24.34 21.05 3.32 o 2 10 8 6.51 2.77 2.77 < 3 10 8 7.67 5.54 3.32 < 4 10 8 325.30 355.68 9.97 o 5 10 8 24.13 27.15 3.88 o 6 10 8 207.59 231.58 9.97 o -8 11 8 106.42 93.63 6.09 o -7 11 8 0.87 3.32 3.32 < -6 11 8 11.69 4.99 3.32 < -5 11 8 51.52 52.08 4.43 o -4 11 8 36.37 33.24 4.43 o -3 11 8 4.24 4.43 2.77 < -2 11 8 22.89 24.93 3.88 o -1 11 8 1.61 2.22 2.77 < 0 11 8 3.24 3.88 2.77 < 1 11 8 4.31 6.65 3.32 < 2 11 8 26.25 22.71 3.88 o 3 11 8 0.15 -0.55 3.32 < 4 11 8 198.71 224.93 8.86 o -5 12 8 4.32 3.32 3.32 < -4 12 8 157.51 147.92 7.20 o -3 12 8 0.07 3.32 3.32 < -2 12 8 33.44 45.98 4.99 o -1 12 8 2.70 1.11 3.32 < 0 12 8 106.19 108.59 7.20 o 1 12 8 9.50 5.54 3.88 < 2 12 8 152.16 165.10 14.40 o -15 0 9 345.95 354.57 12.74 o -13 0 9 20.05 15.51 3.32 o -11 0 9 14.26 19.94 3.32 o -9 0 9 22.25 23.27 2.22 o -7 0 9 0.71 -0.55 1.11 < -5 0 9 25.48 27.15 1.66 o -3 0 9 0.02 -0.55 1.11 < -1 0 9 71.00 73.68 2.22 o 1 0 9 83.67 89.20 2.77 o 3 0 9 103.36 106.93 3.88 o 5 0 9 24.72 24.38 2.77 o 7 0 9 22.05 20.50 3.88 o 9 0 9 175.33 173.96 8.31 o -15 1 9 69.44 70.91 4.99 o -14 1 9 351.80 349.03 8.31 o -13 1 9 162.99 167.31 5.54 o -12 1 9 1185.55 1148.48 14.96 o -11 1 9 86.87 83.66 3.32 o -10 1 9 837.09 838.78 9.97 o -9 1 9 211.70 210.53 3.88 o -8 1 9 1082.97 1088.64 10.53 o -7 1 9 9.60 7.76 1.11 o -6 1 9 90.20 100.83 1.66 o -5 1 9 35.85 38.23 1.11 o -4 1 9 23.81 24.38 1.11 o -3 1 9 18.70 19.94 1.11 o -2 1 9 128.50 122.99 2.77 o -1 1 9 30.15 29.36 1.11 o 0 1 9 173.53 179.50 2.77 o 1 1 9 33.81 34.90 1.66 o 2 1 9 362.17 355.68 4.43 o 3 1 9 206.82 215.51 3.88 o 4 1 9 304.46 285.32 4.43 o 5 1 9 460.20 458.73 6.65 o 6 1 9 6.70 4.99 1.66 < 7 1 9 257.39 260.94 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84.28 79.22 4.43 o -3 8 9 9.63 10.53 2.22 o -2 8 9 511.74 509.70 9.42 o -1 8 9 0.76 1.66 2.22 < 0 8 9 7.02 4.43 2.22 < 1 8 9 0.01 -1.11 1.66 < 2 8 9 0.27 4.43 2.22 < 3 8 9 11.70 9.97 2.77 o 4 8 9 409.76 429.92 9.97 o 5 8 9 38.05 37.67 3.88 o 6 8 9 184.22 189.47 7.76 o 7 8 9 1.04 -0.55 3.32 < -10 9 9 599.92 619.39 13.30 o -9 9 9 7.47 5.54 2.77 < -8 9 9 1020.30 1055.96 17.17 o -7 9 9 4.22 2.77 2.77 < -6 9 9 774.99 844.88 14.96 o -5 9 9 0.75 1.11 2.22 < -4 9 9 561.30 582.83 11.63 o -3 9 9 0.15 0.55 2.22 < -2 9 9 300.79 303.05 7.76 o -1 9 9 25.10 21.61 3.32 o 0 9 9 71.16 65.37 4.43 o 1 9 9 6.71 2.22 2.22 < 2 9 9 15.31 18.28 2.77 o 3 9 9 25.42 21.05 3.32 o 4 9 9 0.70 0.00 2.77 < 5 9 9 27.91 33.24 4.43 o 6 9 9 1.92 4.43 3.32 < -9 10 9 0.14 2.77 3.32 < -8 10 9 627.47 586.15 14.40 o -7 10 9 13.37 13.30 3.88 o -6 10 9 34.92 31.58 3.88 o -5 10 9 19.58 21.05 3.32 o -4 10 9 135.16 141.83 6.09 o -3 10 9 5.99 5.54 3.32 < -2 10 9 36.66 41.00 4.43 o -1 10 9 10.79 17.73 3.32 o 0 10 9 3.10 6.65 3.32 < 1 10 9 34.14 40.44 4.43 o 2 10 9 27.42 30.47 4.43 o 3 10 9 47.12 44.32 4.99 o 4 10 9 39.29 41.55 4.99 o 5 10 9 17.64 16.07 4.43 o -7 11 9 0.30 -2.77 3.32 < -6 11 9 7.44 5.54 3.88 < -5 11 9 3.30 8.86 3.88 < -4 11 9 169.66 183.93 7.76 o -3 11 9 3.22 3.88 3.32 < -2 11 9 284.85 286.98 9.42 o -1 11 9 9.13 9.97 3.88 < 0 11 9 30.52 32.13 4.43 o 1 11 9 44.05 45.43 4.99 o 2 11 9 197.12 176.18 7.76 o 3 11 9 0.04 6.65 3.88 < -4 12 9 94.65 111.91 7.20 o -3 12 9 2.03 6.09 3.88 < -2 12 9 332.92 335.73 11.63 o -1 12 9 0.97 2.22 3.88 < 0 12 9 37.35 44.88 6.09 o -14 0 10 285.71 275.90 10.53 o -12 0 10 820.40 858.73 18.84 o -10 0 10 4195.02 4162.33 53.19 o -8 0 10 11923.98 11880.34 144.04 o -6 0 10 6474.44 6566.21 68.14 o -4 0 10 7644.70 7713.58 118.56 o -2 0 10 645.17 620.50 9.97 o 0 0 10 137.95 129.64 3.88 o 2 0 10 107.31 104.71 3.88 o 4 0 10 515.44 527.42 9.42 o 6 0 10 23.45 25.48 3.32 o 8 0 10 334.92 329.09 10.53 o 10 0 10 0.06 6.09 4.43 < -14 1 10 21.58 19.94 3.32 o -13 1 10 121.57 119.11 4.99 o -12 1 10 30.24 34.90 2.77 o -11 1 10 47.74 50.97 2.77 o -10 1 10 1.41 1.66 1.66 < -9 1 10 0.29 0.00 1.11 < -8 1 10 17.65 18.28 1.66 o -7 1 10 0.75 -0.55 1.11 < -6 1 10 85.57 79.22 1.66 o -5 1 10 17.38 16.62 1.11 o -4 1 10 404.57 390.03 5.54 o -3 1 10 0.32 0.55 1.11 < -2 1 10 363.92 392.24 5.54 o -1 1 10 68.59 68.14 2.22 o 0 1 10 332.33 342.94 4.43 o 1 1 10 19.73 20.50 1.66 o 2 1 10 204.82 193.91 3.88 o 3 1 10 14.45 13.30 1.66 o 4 1 10 694.21 657.06 8.31 o 5 1 10 42.65 38.78 2.22 o 6 1 10 22.48 20.50 2.22 o 7 1 10 9.78 9.97 2.22 o 8 1 10 16.60 13.85 2.77 o 9 1 10 0.51 -0.55 2.22 < 10 1 10 9.65 11.08 3.32 o -14 2 10 95.07 99.72 4.99 o -13 2 10 12.33 11.63 2.77 o -12 2 10 0.03 1.11 2.22 < -11 2 10 70.00 73.13 3.32 o -10 2 10 11.35 11.63 1.66 o -9 2 10 6.32 5.54 1.66 o -8 2 10 18.58 23.27 1.66 o -7 2 10 44.74 47.09 1.66 o -6 2 10 13.68 10.53 1.11 o -5 2 10 31.76 34.35 1.66 o -4 2 10 154.15 151.25 3.32 o -3 2 10 0.16 0.00 1.11 < -2 2 10 1431.61 1359.56 18.84 o -1 2 10 0.18 0.00 1.66 < 0 2 10 6.90 3.32 1.66 < 1 2 10 11.16 11.08 1.66 o 2 2 10 323.85 308.59 5.54 o 3 2 10 57.59 58.17 2.22 o 4 2 10 4.93 4.99 1.66 < 5 2 10 8.91 8.86 1.66 o 6 2 10 10.22 9.42 2.22 o 7 2 10 17.87 18.84 2.22 o 8 2 10 18.01 11.63 2.77 o 9 2 10 1.97 -1.66 2.22 < -14 3 10 47.75 54.85 4.43 o -13 3 10 0.02 0.55 2.22 < -12 3 10 100.39 94.74 4.43 o -11 3 10 2.00 -0.55 1.66 < -10 3 10 227.70 216.62 4.99 o -9 3 10 3.27 2.22 1.66 < -8 3 10 648.46 611.63 7.76 o -7 3 10 3.38 2.77 1.11 < -6 3 10 41.91 43.77 2.22 o -5 3 10 17.07 18.84 2.22 o -4 3 10 959.80 934.63 12.74 o -3 3 10 2.33 2.22 1.66 < -2 3 10 89.39 90.30 3.32 o -1 3 10 84.32 84.21 3.88 o 0 3 10 56.73 48.20 2.77 o 1 3 10 48.43 48.20 2.22 o 2 3 10 139.20 126.32 3.32 o 3 3 10 44.19 44.32 2.22 o 4 3 10 54.05 54.29 2.77 o 5 3 10 19.26 19.39 2.22 o 6 3 10 1.71 1.66 1.66 < 7 3 10 55.42 53.19 3.32 o 8 3 10 30.83 36.01 3.32 o 9 3 10 25.22 28.25 3.32 o -14 4 10 3.49 4.43 3.32 < -13 4 10 2.22 4.99 2.77 < -12 4 10 82.28 79.78 4.43 o -11 4 10 95.52 96.95 3.88 o -10 4 10 151.97 150.69 4.43 o -9 4 10 2.72 3.32 1.66 < -8 4 10 574.02 486.98 7.76 o -7 4 10 7.21 6.09 1.66 o -6 4 10 589.85 460.94 7.20 o -5 4 10 0.17 -1.11 1.66 < -4 4 10 871.89 715.79 12.19 o -3 4 10 22.03 25.48 2.77 o -2 4 10 34.86 10.53 2.22 o -1 4 10 1.33 0.55 1.66 < 0 4 10 15.33 10.53 1.66 o 1 4 10 0.00 0.55 1.11 < 2 4 10 427.91 455.40 7.76 o 3 4 10 58.86 57.06 2.77 o 4 4 10 168.05 175.62 4.43 o 5 4 10 4.05 2.22 1.66 < 6 4 10 221.66 231.03 6.09 o 7 4 10 40.31 36.57 3.32 o 8 4 10 13.52 13.85 2.77 o 9 4 10 1.08 3.88 2.77 < -13 5 10 21.79 18.28 3.32 o -12 5 10 63.27 66.48 4.43 o -11 5 10 7.67 5.54 2.22 < -10 5 10 447.18 444.32 8.31 o -9 5 10 16.80 16.62 2.77 o -8 5 10 48.34 52.08 3.32 o -7 5 10 0.00 -0.55 1.66 < -6 5 10 166.63 186.70 4.43 o -5 5 10 5.86 4.43 1.66 < -4 5 10 9.00 9.42 1.66 o -3 5 10 4.33 3.88 2.22 < -2 5 10 10.25 8.86 2.22 o -1 5 10 2.59 4.99 1.66 < 0 5 10 21.18 23.27 2.22 o 1 5 10 4.77 4.43 1.66 < 2 5 10 25.23 27.70 2.22 o 3 5 10 33.16 39.34 2.77 o 4 5 10 50.95 48.20 3.32 o 5 5 10 40.64 37.12 2.77 o 6 5 10 39.57 41.55 3.32 o 7 5 10 12.06 10.53 2.77 o 8 5 10 4.24 4.99 3.32 < -13 6 10 7.69 7.76 3.32 < -12 6 10 54.17 55.96 4.43 o -11 6 10 24.99 21.05 3.32 o -10 6 10 156.62 168.98 6.09 o -9 6 10 14.16 8.31 2.77 < -8 6 10 274.49 273.68 6.65 o -7 6 10 34.93 34.35 2.77 o -6 6 10 100.45 119.67 3.88 o -5 6 10 14.45 16.07 2.22 o -4 6 10 417.85 347.92 7.20 o -3 6 10 1.72 -1.66 1.66 < -2 6 10 103.27 90.86 3.88 o -1 6 10 56.44 58.73 2.77 o 0 6 10 2332.45 2288.09 27.15 o 1 6 10 9.18 11.63 2.22 o 2 6 10 136.10 139.06 4.99 o 3 6 10 90.80 77.01 3.88 o 4 6 10 292.21 294.74 7.76 o 5 6 10 13.91 12.19 2.77 o 6 6 10 36.16 29.36 3.32 o 7 6 10 27.45 27.70 3.88 o 8 6 10 73.73 57.62 4.99 o -12 7 10 136.76 132.96 6.65 o -11 7 10 51.08 52.63 4.43 o -10 7 10 71.08 68.70 4.43 o -9 7 10 54.32 54.29 3.88 o -8 7 10 2.65 1.66 2.22 < -7 7 10 0.66 -1.11 1.66 < -6 7 10 109.45 109.14 4.43 o -5 7 10 2.11 2.77 2.22 < -4 7 10 135.56 135.73 4.43 o -3 7 10 0.29 2.22 2.22 < -2 7 10 1.12 0.55 1.66 < -1 7 10 42.38 38.78 2.77 o 0 7 10 160.47 157.89 3.88 o 1 7 10 1.55 1.11 1.66 < 2 7 10 15.10 13.30 2.77 o 3 7 10 51.10 48.75 3.88 o 4 7 10 89.07 89.75 4.99 o 5 7 10 16.92 10.53 3.32 o 6 7 10 14.14 12.74 3.32 o 7 7 10 61.55 63.16 4.99 o -11 8 10 49.04 38.78 4.99 o -10 8 10 5.28 1.11 3.32 < -9 8 10 148.19 140.72 6.09 o -8 8 10 80.27 95.29 5.54 o -7 8 10 1.31 -1.66 2.22 < -6 8 10 3.24 0.00 2.22 < -5 8 10 11.60 10.53 2.77 o -4 8 10 317.04 341.27 8.31 o -3 8 10 20.98 17.17 3.32 o -2 8 10 495.98 536.29 10.53 o -1 8 10 6.77 8.86 2.22 o 0 8 10 422.79 434.90 8.86 o 1 8 10 3.93 2.77 2.22 < 2 8 10 211.42 202.77 6.09 o 3 8 10 25.37 27.15 3.32 o 4 8 10 159.61 168.42 6.65 o 5 8 10 137.62 146.26 7.20 o 6 8 10 110.07 118.01 7.20 o -10 9 10 0.11 5.54 3.32 < -9 9 10 0.88 4.99 3.32 < -8 9 10 22.66 21.61 3.88 o -7 9 10 1.81 4.99 3.32 < -6 9 10 1177.85 1128.53 20.50 o -5 9 10 10.83 12.74 3.32 o -4 9 10 113.51 115.79 6.09 o -3 9 10 9.08 13.85 3.88 o -2 9 10 568.47 563.99 12.19 o -1 9 10 10.59 4.43 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222.16 6.09 o 3 0 11 1.40 1.11 2.22 < 5 0 11 24.06 22.16 2.77 o 7 0 11 94.61 90.30 5.54 o 9 0 11 66.31 69.81 6.65 o -14 1 11 165.82 179.50 6.65 o -13 1 11 47.25 50.97 3.88 o -12 1 11 383.83 396.68 7.76 o -11 1 11 2.85 2.77 1.66 < -10 1 11 28.92 38.78 2.22 o -9 1 11 70.55 70.91 2.77 o -8 1 11 41.86 36.57 1.66 o -7 1 11 46.82 47.65 1.66 o -6 1 11 3394.02 3306.37 29.92 o -5 1 11 0.03 2.77 1.11 < -4 1 11 2287.46 2303.60 24.93 o -3 1 11 17.27 17.17 1.66 o -2 1 11 6937.63 6931.31 75.90 o -1 1 11 8.85 10.53 1.11 o 0 1 11 726.78 762.33 8.86 o 1 1 11 106.14 104.71 2.77 o 2 1 11 499.27 485.87 7.20 o 3 1 11 0.01 -2.22 1.11 < 4 1 11 19.85 20.50 1.66 o 5 1 11 31.14 25.48 2.22 o 6 1 11 14.52 13.30 2.22 o 7 1 11 69.05 67.59 3.88 o 8 1 11 30.32 33.80 3.32 o 9 1 11 119.72 131.86 5.54 o -14 2 11 411.15 418.28 10.53 o -13 2 11 12.77 5.54 2.77 < -12 2 11 1.30 2.77 2.22 < -11 2 11 22.93 23.82 2.22 o -10 2 11 191.14 180.61 4.43 o -9 2 11 7.18 4.43 1.66 < -8 2 11 2.17 3.88 1.66 < -7 2 11 4.00 3.88 1.11 o -6 2 11 0.02 -2.22 1.11 < -5 2 11 1.09 1.11 1.66 < -4 2 11 87.64 88.09 2.77 o -3 2 11 17.19 16.62 1.66 o -2 2 11 240.00 234.35 5.54 o -1 2 11 0.16 1.11 1.66 < 0 2 11 100.49 86.98 2.77 o 1 2 11 51.46 50.97 2.22 o 2 2 11 18.56 16.62 2.22 o 3 2 11 27.76 29.92 2.22 o 4 2 11 1.02 1.11 1.66 < 5 2 11 5.06 5.54 1.66 o 6 2 11 285.54 291.41 6.65 o 7 2 11 0.00 2.22 2.22 < 8 2 11 2.43 0.55 2.22 < 9 2 11 3.37 7.76 3.32 < -14 3 11 0.01 -1.66 2.77 < -13 3 11 13.27 13.85 3.32 o -12 3 11 3.07 5.54 2.77 < -11 3 11 80.82 85.87 3.88 o -10 3 11 16.12 15.51 2.22 o -9 3 11 2.89 2.77 1.66 < -8 3 11 173.53 158.45 3.88 o -7 3 11 3.96 4.99 1.66 < -6 3 11 160.54 151.25 4.43 o -5 3 11 7.32 8.86 1.66 o -4 3 11 33.09 19.39 2.22 o -3 3 11 1.09 -0.55 1.66 < -2 3 11 584.05 577.29 11.08 o -1 3 11 0.66 1.11 1.66 < 0 3 11 88.79 68.70 3.32 o 1 3 11 9.47 8.31 1.66 o 2 3 11 23.52 14.40 2.22 o 3 3 11 119.21 109.14 3.88 o 4 3 11 94.55 95.29 3.32 o 5 3 11 17.40 17.17 2.22 o 6 3 11 32.58 35.46 3.32 o 7 3 11 205.25 205.54 5.54 o 8 3 11 34.53 39.89 3.88 o -13 4 11 7.23 0.55 3.32 < -12 4 11 59.54 55.96 4.43 o -11 4 11 2.36 3.32 2.22 < -10 4 11 91.23 85.87 3.88 o -9 4 11 12.32 13.85 2.22 o -8 4 11 1159.16 1093.63 16.07 o -7 4 11 0.00 -0.55 1.66 < -6 4 11 41.33 39.34 2.77 o -5 4 11 0.29 0.55 1.66 < -4 4 11 483.47 479.78 9.97 o -3 4 11 5.78 6.65 2.22 o -2 4 11 52.20 61.50 3.32 o -1 4 11 15.94 13.30 2.77 o 0 4 11 331.44 337.95 7.20 o 1 4 11 20.68 18.84 2.22 o 2 4 11 30.12 38.23 2.77 o 3 4 11 19.12 16.62 2.22 o 4 4 11 123.39 116.90 4.43 o 5 4 11 5.23 5.54 2.22 < 6 4 11 0.03 -1.11 2.22 < 7 4 11 0.00 1.11 2.77 < 8 4 11 12.39 10.53 3.32 o -13 5 11 0.11 7.76 3.32 < -12 5 11 5.83 1.11 2.77 < -11 5 11 3.63 3.88 2.77 < -10 5 11 726.39 673.13 11.63 o -9 5 11 0.03 -0.55 2.22 < -8 5 11 1.05 2.22 2.22 < -7 5 11 5.33 4.43 1.66 < -6 5 11 705.85 588.92 9.97 o -5 5 11 1.87 4.43 2.22 < -4 5 11 137.96 78.12 4.43 o -3 5 11 2.64 1.66 2.22 < -2 5 11 465.12 331.86 9.42 o -1 5 11 38.43 40.44 3.32 o 0 5 11 210.65 168.98 5.54 o 1 5 11 80.39 77.56 3.88 o 2 5 11 1249.92 1201.11 17.73 o 3 5 11 58.75 65.37 3.88 o 4 5 11 56.37 49.86 3.32 o 5 5 11 34.32 34.35 3.32 o 6 5 11 460.16 454.85 9.97 o 7 5 11 6.70 2.22 2.77 < 8 5 11 26.97 28.81 4.43 o -12 6 11 15.36 14.40 3.88 o -11 6 11 0.07 -1.11 2.77 < -10 6 11 5.08 5.54 2.77 < -9 6 11 9.68 3.88 2.77 < -8 6 11 0.56 2.77 2.22 < -7 6 11 16.31 13.85 2.77 o -6 6 11 109.45 110.25 4.43 o -5 6 11 5.19 0.55 2.22 < -4 6 11 19.99 19.39 3.32 o -3 6 11 17.82 18.28 3.32 o -2 6 11 50.75 44.88 3.88 o -1 6 11 130.31 134.63 5.54 o 0 6 11 15.84 18.84 2.77 o 1 6 11 7.30 7.76 2.77 < 2 6 11 215.06 198.34 5.54 o 3 6 11 15.69 14.96 2.77 o 4 6 11 50.42 51.52 3.88 o 5 6 11 16.48 16.07 3.32 o 6 6 11 0.08 1.66 3.32 < 7 6 11 36.59 39.34 4.43 o -12 7 11 1.28 -1.66 3.88 < -11 7 11 0.34 0.00 3.32 < -10 7 11 0.37 4.99 3.32 < -9 7 11 1.10 3.88 2.77 < -8 7 11 186.34 191.14 7.20 o -7 7 11 21.27 23.27 3.88 o -6 7 11 252.26 261.50 7.20 o -5 7 11 14.58 16.07 2.77 o -4 7 11 1986.44 1964.54 29.36 o -3 7 11 0.82 2.77 2.77 < 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482.33 521.88 13.85 o 3 9 11 25.21 16.62 4.43 o 4 9 11 228.87 233.80 9.97 o -8 10 11 75.81 74.24 6.65 o -7 10 11 0.96 1.66 3.32 < -6 10 11 62.06 68.70 6.09 o -5 10 11 37.84 32.13 4.43 o -4 10 11 24.13 23.27 3.88 o -3 10 11 1.52 5.54 3.88 < -2 10 11 209.58 221.05 8.86 o -1 10 11 3.88 6.65 3.88 < 0 10 11 391.61 391.69 12.19 o 1 10 11 22.95 29.36 4.99 o 2 10 11 290.69 288.64 11.08 o 3 10 11 49.98 48.20 6.09 o -5 11 11 0.02 -7.20 3.32 < -4 11 11 184.61 185.60 8.31 o -3 11 11 2.59 1.11 3.32 < -2 11 11 44.08 47.09 5.54 o -1 11 11 3.86 6.65 4.43 < 0 11 11 2.07 2.22 3.88 < -14 0 12 178.34 189.47 11.08 o -12 0 12 30.14 25.48 3.88 o -10 0 12 809.34 790.58 14.96 o -8 0 12 71.89 80.89 3.88 o -6 0 12 138.26 136.29 4.43 o -4 0 12 2963.67 2893.08 53.19 o -2 0 12 4885.09 4709.70 83.10 o 0 0 12 9799.17 9692.53 125.76 o 2 0 12 3380.08 3343.49 54.85 o 4 0 12 2853.79 2798.89 53.19 o 6 0 12 631.92 644.88 16.62 o 8 0 12 3.69 0.55 4.43 < -14 1 12 2.84 3.32 3.32 < -13 1 12 45.21 43.21 3.88 o -12 1 12 32.01 34.35 3.32 o -11 1 12 8.13 12.74 2.22 o -10 1 12 203.55 208.86 4.99 o -9 1 12 4.15 4.43 1.66 < -8 1 12 0.17 -1.11 1.66 < -7 1 12 18.85 18.28 1.66 o -6 1 12 108.21 111.91 2.77 o -5 1 12 0.91 -1.11 1.11 < -4 1 12 54.30 45.43 2.22 o -3 1 12 37.95 39.89 1.66 o -2 1 12 438.60 432.13 6.65 o -1 1 12 7.69 6.09 1.66 o 0 1 12 6.13 6.09 1.66 o 1 1 12 1.12 -1.66 1.66 < 2 1 12 195.34 170.08 4.99 o 3 1 12 42.71 42.66 2.77 o 4 1 12 7.25 6.09 2.22 < 5 1 12 127.51 135.18 4.43 o 6 1 12 51.97 47.65 3.88 o 7 1 12 94.37 106.37 5.54 o 8 1 12 54.12 55.40 4.43 o -14 2 12 3.95 5.54 3.32 < -13 2 12 20.22 18.28 3.32 o -12 2 12 13.42 14.96 2.77 o -11 2 12 6.04 3.32 2.22 < -10 2 12 75.51 91.41 3.32 o -9 2 12 25.89 30.47 2.77 o -8 2 12 158.26 176.73 4.43 o -7 2 12 6.33 8.86 1.66 o -6 2 12 1595.00 1573.96 20.50 o -5 2 12 3.38 2.77 1.66 < -4 2 12 132.82 141.83 3.88 o -3 2 12 0.26 0.55 1.66 < -2 2 12 439.65 452.63 7.76 o -1 2 12 9.33 9.42 2.77 o 0 2 12 0.05 -0.55 1.66 < 1 2 12 25.40 24.38 2.77 o 2 2 12 150.15 151.25 4.43 o 3 2 12 96.12 93.63 4.43 o 4 2 12 6.28 9.97 2.22 o 5 2 12 20.06 18.28 2.77 o 6 2 12 0.35 1.66 2.22 < 7 2 12 11.21 13.85 2.77 o 8 2 12 0.06 -1.11 2.77 < -13 3 12 32.18 34.35 4.43 o -12 3 12 222.31 198.89 7.20 o -11 3 12 1.78 0.55 2.22 < -10 3 12 91.28 96.95 4.43 o -9 3 12 2.38 0.55 2.22 < -8 3 12 15.54 16.07 2.22 o -7 3 12 5.30 7.76 2.22 o -6 3 12 89.33 89.75 3.32 o -5 3 12 7.07 4.99 2.22 < -4 3 12 15.78 17.73 2.22 o -3 3 12 1.17 3.88 1.66 < -2 3 12 64.48 65.93 3.32 o -1 3 12 0.64 0.00 2.22 < 0 3 12 1.99 2.22 2.22 < 1 3 12 61.09 59.83 3.32 o 2 3 12 428.76 417.17 7.76 o 3 3 12 1.12 -2.77 1.66 < 4 3 12 1.78 0.55 2.22 < 5 3 12 21.93 22.16 2.77 o 6 3 12 235.71 235.46 6.65 o 7 3 12 7.15 10.53 3.32 o 8 3 12 24.65 27.70 4.99 o -13 4 12 3.61 4.43 3.88 < -12 4 12 250.41 259.28 8.86 o -11 4 12 1.30 1.11 2.77 < -10 4 12 277.76 274.79 7.76 o -9 4 12 0.35 -2.22 2.22 < -8 4 12 19.69 22.71 3.32 o -7 4 12 16.88 14.96 2.77 o -6 4 12 121.09 95.29 4.43 o -5 4 12 0.07 -1.11 2.22 < -4 4 12 1321.02 1135.73 19.39 o -3 4 12 9.27 11.08 2.77 o -2 4 12 488.57 395.57 9.42 o -1 4 12 49.15 42.66 3.88 o 0 4 12 454.43 375.62 8.86 o 1 4 12 0.22 0.00 2.22 < 2 4 12 42.93 35.46 3.32 o 3 4 12 123.73 122.99 4.43 o 4 4 12 8.52 7.76 2.22 o 5 4 12 55.61 58.73 3.88 o 6 4 12 2.68 0.55 2.77 < 7 4 12 61.18 61.50 4.99 o -13 5 12 2.71 1.11 3.32 < -12 5 12 53.29 49.31 4.99 o -11 5 12 37.80 37.12 4.43 o -10 5 12 53.77 50.97 4.43 o -9 5 12 11.73 11.08 2.77 o -8 5 12 13.74 14.40 2.77 o -7 5 12 64.26 61.50 4.99 o -6 5 12 50.96 44.32 3.88 o -5 5 12 1.93 0.00 2.22 < -4 5 12 629.02 621.61 12.74 o -3 5 12 11.39 14.40 3.32 o -2 5 12 951.89 965.65 17.73 o -1 5 12 0.77 0.55 2.22 < 0 5 12 1048.52 1003.88 19.94 o 1 5 12 25.37 29.92 3.88 o 2 5 12 88.90 79.78 4.43 o 3 5 12 0.32 -1.11 2.22 < 4 5 12 7.42 4.99 2.77 < 5 5 12 10.30 9.42 3.32 < 6 5 12 204.43 228.81 8.31 o 7 5 12 27.80 29.92 4.99 o -12 6 12 0.51 2.22 3.32 < -11 6 12 11.46 4.99 3.88 < -10 6 12 2.40 0.55 3.32 < -9 6 12 29.68 28.81 3.88 o -8 6 12 384.03 360.67 9.42 o -7 6 12 12.71 14.40 2.77 o -6 6 12 65.52 77.01 4.43 o -5 6 12 1.45 2.22 2.77 < -4 6 12 193.46 166.76 6.65 o -3 6 12 4.01 0.55 2.77 < -2 6 12 245.97 280.33 9.42 o -1 6 12 100.56 93.63 5.54 o 0 6 12 13.88 19.39 3.32 o 1 6 12 31.12 33.24 4.43 o 2 6 12 16.33 16.07 3.88 o 3 6 12 0.49 0.00 3.32 < 4 6 12 3.34 6.65 3.32 < 5 6 12 32.82 29.92 4.99 o 6 6 12 33.86 31.02 4.99 o -11 7 12 3.30 2.77 3.88 < -10 7 12 4.42 1.66 3.32 < -9 7 12 10.83 10.53 3.32 o -8 7 12 182.68 177.29 7.20 o -7 7 12 0.01 0.55 2.77 < -6 7 12 0.62 0.00 2.77 < -5 7 12 31.15 28.81 3.88 o -4 7 12 8.82 8.86 2.77 o -3 7 12 7.68 7.20 3.32 < -2 7 12 14.43 13.30 3.32 o -1 7 12 7.35 7.20 2.77 < 0 7 12 29.88 31.58 3.88 o 1 7 12 3.08 2.77 2.77 < 2 7 12 9.33 6.09 3.88 < 3 7 12 34.11 32.69 4.99 o 4 7 12 104.60 109.14 7.20 o 5 7 12 31.12 34.90 4.99 o -10 8 12 44.51 39.89 6.65 o -9 8 12 23.08 26.04 4.99 o -8 8 12 57.33 64.82 6.09 o -7 8 12 1.57 -2.77 3.32 < -6 8 12 23.16 28.25 4.43 o -5 8 12 7.32 7.20 3.32 < -4 8 12 2.21 3.88 3.32 < 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1.14 1.66 2.77 < 3 0 13 3.26 0.55 3.88 < 5 0 13 13.21 13.85 3.88 o 7 0 13 122.33 115.24 8.86 o -13 1 13 19.21 18.84 4.43 o -12 1 13 195.73 186.15 7.20 o -11 1 13 32.11 41.55 3.88 o -10 1 13 3.24 0.55 2.22 < -9 1 13 0.01 3.88 2.22 < -8 1 13 411.27 428.26 8.31 o -7 1 13 1.95 1.11 1.66 < -6 1 13 0.12 2.77 1.66 < -5 1 13 1.19 1.11 1.66 < -4 1 13 284.29 288.64 6.09 o -3 1 13 110.78 107.48 3.32 o -2 1 13 7.29 9.42 2.22 o -1 1 13 52.45 53.74 4.43 o 0 1 13 166.21 173.41 6.09 o 1 1 13 165.92 175.07 5.54 o 2 1 13 374.49 382.83 8.86 o 3 1 13 199.46 193.35 6.09 o 4 1 13 1099.07 1065.37 19.39 o 5 1 13 80.35 78.12 4.99 o 6 1 13 795.70 822.72 15.51 o 7 1 13 31.40 31.58 4.43 o -13 2 13 15.27 14.96 4.43 o -12 2 13 40.47 50.42 4.99 o -11 2 13 2.98 3.88 2.77 < -10 2 13 8.85 11.08 2.77 o -9 2 13 0.45 2.77 2.22 < -8 2 13 207.27 186.15 6.09 o -7 2 13 3.38 -0.55 2.22 < -6 2 13 3.41 3.88 2.22 < -5 2 13 0.12 -0.55 1.66 < -4 2 13 106.06 102.49 4.43 o -3 2 13 9.58 5.54 2.22 < -2 2 13 4.59 6.65 2.77 < -1 2 13 20.82 16.62 3.32 o 0 2 13 367.29 361.22 8.86 o 1 2 13 17.53 17.73 3.32 o 2 2 13 1.12 0.55 2.77 < 3 2 13 9.17 8.31 2.77 < 4 2 13 421.85 429.36 11.63 o 5 2 13 8.07 5.54 3.32 < 6 2 13 1.82 -0.55 3.32 < 7 2 13 0.89 -2.22 3.32 < -13 3 13 6.18 7.76 3.88 < -12 3 13 68.96 63.16 4.99 o -11 3 13 13.68 17.73 3.32 o -10 3 13 173.37 160.66 6.09 o -9 3 13 11.93 10.53 2.77 o -8 3 13 1123.89 1056.51 21.05 o -7 3 13 4.30 5.54 3.32 < -6 3 13 433.05 417.17 9.42 o -5 3 13 16.93 14.40 2.77 o -4 3 13 190.51 202.22 6.09 o -3 3 13 0.27 0.00 2.22 < -2 3 13 18.40 16.62 2.77 o -1 3 13 11.64 9.97 2.77 o 0 3 13 828.25 813.30 16.07 o 1 3 13 11.96 12.74 3.32 o 2 3 13 341.73 345.15 10.53 o 3 3 13 59.94 61.50 4.43 o 4 3 13 162.83 145.71 6.65 o 5 3 13 13.57 13.85 3.88 o 6 3 13 127.25 146.26 7.20 o 7 3 13 11.45 11.63 3.88 < -13 4 13 52.87 59.28 5.54 o -12 4 13 64.30 64.82 5.54 o -11 4 13 96.11 85.87 4.99 o -10 4 13 0.08 0.55 2.77 < -9 4 13 9.27 5.54 2.77 < -8 4 13 3.58 4.99 3.32 < -7 4 13 6.41 7.76 3.32 < -6 4 13 109.44 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