#edited by ppcif program, please check edits data_n17100 _audit_creation_method SHELXL-2014/7 _shelx_SHELXL_version_number 2014/7 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C6.25 H6 O12.50 Zn3' _chemical_formula_weight 477.22 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 11.3261(15) _cell_length_b 9.8210(14) _cell_length_c 14.4412(19) _cell_angle_alpha 90 _cell_angle_beta 91.297(5) _cell_angle_gamma 90 _cell_volume 1605.9(4) _cell_formula_units_Z 4 _cell_measurement_temperature 120 _cell_measurement_reflns_used 9044 _cell_measurement_theta_min 3.06 _cell_measurement_theta_max 67.59 _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.974 _exptl_crystal_F_000 934 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.657 _exptl_crystal_size_mid 0.617 _exptl_crystal_size_min 0.177 _exptl_absorpt_coefficient_mu 5.787 _shelx_estimated_absorpt_T_min 0.115 _shelx_estimated_absorpt_T_max 0.427 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.190615 _exptl_absorpt_correction_T_max 0.466764 _exptl_absorpt_process_details SADABS _exptl_absorpt_special_details ? _diffrn_ambient_temperature 120 _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_source 'sealed tube' _diffrn_measurement_device_type 'Bruker-Nonius KappaCCD Apex2' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 5024 _diffrn_reflns_av_unetI/netI 0.0179 _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 5.964 _diffrn_reflns_theta_max 67.585 _diffrn_reflns_theta_full 67.585 _diffrn_measured_fraction_theta_max 0.973 _diffrn_measured_fraction_theta_full 0.973 _diffrn_reflns_Laue_measured_fraction_max 0.973 _diffrn_reflns_Laue_measured_fraction_full 0.973 _diffrn_reflns_point_group_measured_fraction_max 0.973 _diffrn_reflns_point_group_measured_fraction_full 0.973 _reflns_number_total 5024 _reflns_number_gt 4992 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection Apex2 _computing_cell_refinement SAINT _computing_data_reduction SAINT _computing_structure_solution ? _computing_structure_refinement SHELXL-2014 _computing_molecular_graphics NRCVAX _computing_publication_material cif2tables.py _refine_special_details ; Refined as a 2-component twin. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0507P)^2^+2.3833P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary isomor _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens difmap _refine_ls_hydrogen_treatment refall _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 5024 _refine_ls_number_parameters 245 _refine_ls_number_restraints 12 _refine_ls_R_factor_all 0.0306 _refine_ls_R_factor_gt 0.0303 _refine_ls_wR_factor_ref 0.0992 _refine_ls_wR_factor_gt 0.0986 _refine_ls_goodness_of_fit_ref 1.224 _refine_ls_restrained_S_all 1.223 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Zn1 Zn 0.24331(4) 0.07756(5) 0.36832(3) 0.00978(16) Uani 1 1 d . . . . . Zn2 Zn 0.24050(4) 0.39126(5) 0.31300(3) 0.01070(16) Uani 1 1 d . . . . . Zn3 Zn 0.5000 0.0000 0.5000 0.01207(19) Uani 1 2 d S . P . . Zn4 Zn 0.0000 0.0000 0.5000 0.01229(19) Uani 1 2 d S . P . . O1 O 0.3157(2) -0.0274(3) 0.47692(18) 0.0137(6) Uani 1 1 d . . . . . C1 C 0.2572(4) -0.1057(4) 0.5306(3) 0.0139(8) Uani 1 1 d . . . . . H1 H 0.300(4) -0.158(4) 0.569(3) 0.004(9) Uiso 1 1 d . . . . . O2 O 0.1496(2) -0.1141(3) 0.5339(2) 0.0171(6) Uani 1 1 d . . . . . O3 O 0.1025(2) 0.1551(3) 0.43955(18) 0.0124(5) Uani 1 1 d . . . . . C2 C 0.0706(4) 0.2786(4) 0.4488(3) 0.0157(8) Uani 1 1 d . . . . . H2 H 0.003(4) 0.292(5) 0.491(3) 0.006(10) Uiso 1 1 d . . . . . O4 O 0.1118(2) 0.3792(3) 0.40880(19) 0.0163(6) Uani 1 1 d . . . . . O5 O 0.1919(2) 0.1994(3) 0.25419(18) 0.0120(5) Uani 1 1 d . . . . . C3 C 0.1699(3) 0.1720(4) 0.1697(3) 0.0133(8) Uani 1 1 d . . . . . H3 H 0.138(4) 0.249(4) 0.136(3) 0.008(11) Uiso 1 1 d . . . . . O6 O 0.1833(2) 0.0606(3) 0.13111(19) 0.0155(6) Uani 1 1 d . . . . . O7 O 0.3472(2) 0.2554(3) 0.39048(19) 0.0123(6) Uani 1 1 d . . . . . C4 C 0.4222(4) 0.2883(4) 0.4533(3) 0.0165(8) Uani 1 1 d . . . . . H4 H 0.438(5) 0.392(7) 0.460(4) 0.045(17) Uiso 1 1 d . . . . . O8 O 0.4814(2) 0.2092(3) 0.5024(2) 0.0189(6) Uani 1 1 d . . . . . O9 O 0.1494(2) -0.0832(3) 0.30488(18) 0.0125(5) Uani 1 1 d . . . . . C5 C 0.0458(4) -0.1294(4) 0.3133(3) 0.0157(8) Uani 1 1 d . . . . . H5 H 0.017(4) -0.189(5) 0.269(3) 0.008(10) Uiso 1 1 d . . . . . O10 O -0.0234(2) -0.1044(3) 0.3761(2) 0.0189(6) Uani 1 1 d . . . . . O11 O 0.3700(2) -0.0069(3) 0.28039(18) 0.0122(6) Uani 1 1 d . . . . . C6 C 0.4814(3) -0.0149(4) 0.2878(3) 0.0136(8) Uani 1 1 d . . . . . H6 H 0.525(5) -0.040(6) 0.234(4) 0.031(14) Uiso 1 1 d . . . . . O12 O 0.5411(2) 0.0035(3) 0.3596(2) 0.0192(6) Uani 1 1 d . . . . . C1X C -0.255(3) -0.251(5) 0.300(2) 0.137(18) Uani 0.25 1 d D U P . . O1X O -0.260(2) -0.298(4) 0.3736(19) 0.124(12) Uani 0.25 1 d D U P . . O2X O -0.245(2) -0.173(3) 0.2402(17) 0.109(10) Uani 0.25 1 d D U P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Zn1 0.0100(3) 0.0097(3) 0.0098(3) 0.00060(18) 0.00347(19) 0.00014(18) Zn2 0.0115(3) 0.0101(3) 0.0106(3) 0.00103(18) 0.00315(19) -0.00007(18) Zn3 0.0090(4) 0.0147(4) 0.0126(4) 0.0013(3) 0.0019(3) -0.0006(3) Zn4 0.0104(4) 0.0134(4) 0.0133(4) 0.0016(3) 0.0058(3) -0.0014(3) O1 0.0118(13) 0.0168(14) 0.0127(13) 0.0029(11) 0.0038(10) -0.0019(11) C1 0.017(2) 0.013(2) 0.0118(19) 0.0031(15) 0.0012(16) -0.0002(15) O2 0.0105(14) 0.0189(15) 0.0223(15) 0.0063(11) 0.0064(11) -0.0013(11) O3 0.0128(12) 0.0091(14) 0.0158(13) 0.0015(11) 0.0073(10) 0.0012(11) C2 0.0116(19) 0.023(2) 0.0124(19) 0.0006(17) 0.0034(16) 0.0003(16) O4 0.0178(14) 0.0133(15) 0.0182(14) 0.0023(11) 0.0076(11) 0.0002(11) O5 0.0151(13) 0.0092(14) 0.0119(13) -0.0003(10) 0.0023(10) -0.0010(11) C3 0.0149(18) 0.014(2) 0.0105(18) 0.0013(15) -0.0011(14) 0.0024(15) O6 0.0194(14) 0.0126(14) 0.0144(13) -0.0031(11) -0.0010(11) 0.0014(11) O7 0.0104(14) 0.0155(15) 0.0112(14) 0.0013(10) 0.0003(11) 0.0007(9) C4 0.0155(19) 0.014(2) 0.020(2) -0.0013(17) 0.0012(16) -0.0030(16) O8 0.0174(14) 0.0174(15) 0.0216(15) 0.0006(12) -0.0034(12) 0.0012(12) O9 0.0116(13) 0.0124(14) 0.0137(13) -0.0014(10) 0.0042(10) -0.0017(10) C5 0.016(2) 0.017(2) 0.015(2) -0.0033(16) 0.0040(16) -0.0056(16) O10 0.0150(14) 0.0242(16) 0.0178(15) -0.0021(12) 0.0081(12) -0.0058(11) O11 0.0112(13) 0.0114(14) 0.0144(13) -0.0025(10) 0.0047(10) 0.0002(10) C6 0.0133(19) 0.018(2) 0.0100(19) 0.0005(15) 0.0031(15) -0.0007(15) O12 0.0134(14) 0.0303(18) 0.0140(15) 0.0017(12) 0.0016(11) 0.0002(11) C1X 0.036(18) 0.26(4) 0.12(2) 0.08(3) 0.020(17) 0.02(2) O1X 0.071(17) 0.20(3) 0.100(18) 0.05(2) 0.024(14) 0.01(2) O2X 0.056(13) 0.20(3) 0.074(14) 0.025(16) 0.000(11) -0.007(16) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Zn1 O1 2.034(3) . ? Zn1 O3 2.063(3) . ? Zn1 O9 2.102(3) . ? Zn1 O11 2.108(3) . ? Zn1 O5 2.108(3) . ? Zn1 O7 2.126(3) . ? Zn2 O6 2.033(3) 2 ? Zn2 O4 2.036(3) . ? Zn2 O11 2.076(3) 2 ? Zn2 O7 2.105(3) . ? Zn2 O5 2.134(3) . ? Zn2 O9 2.147(3) 2 ? Zn3 O8 2.066(3) . ? Zn3 O8 2.066(3) '3_656' ? Zn3 O12 2.090(3) '3_656' ? Zn3 O12 2.090(3) . ? Zn3 O1 2.124(3) . ? Zn3 O1 2.124(3) '3_656' ? Zn4 O10 2.074(3) '3_556' ? Zn4 O10 2.074(3) . ? Zn4 O2 2.080(3) '3_556' ? Zn4 O2 2.080(3) . ? Zn4 O3 2.116(3) . ? Zn4 O3 2.116(3) '3_556' ? O1 C1 1.286(5) . ? C1 O2 1.224(5) . ? C1 H1 0.89(5) . ? O3 C2 1.273(5) . ? C2 O4 1.241(5) . ? C2 H2 1.00(5) . ? O5 C3 1.269(5) . ? C3 O6 1.238(5) . ? C3 H3 0.97(5) . ? O6 Zn2 2.033(3) '2_545' ? O7 C4 1.271(5) . ? C4 O8 1.238(5) . ? C4 H4 1.03(6) . ? O9 C5 1.267(5) . ? O9 Zn2 2.147(3) '2_545' ? C5 O10 1.236(5) . ? C5 H5 0.92(5) . ? O11 C6 1.266(5) . ? O11 Zn2 2.076(3) '2_545' ? C6 O12 1.239(5) . ? C6 H6 0.96(6) . ? C1X O1X 1.161(7) . ? C1X O2X 1.161(7) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Zn1 O3 96.05(10) . . ? O1 Zn1 O9 98.42(11) . . ? O3 Zn1 O9 96.05(10) . . ? O1 Zn1 O11 89.84(11) . . ? O3 Zn1 O11 172.00(11) . . ? O9 Zn1 O11 77.68(10) . . ? O1 Zn1 O5 171.92(10) . . ? O3 Zn1 O5 88.68(10) . . ? O9 Zn1 O5 87.55(10) . . ? O11 Zn1 O5 86.11(10) . . ? O1 Zn1 O7 95.07(11) . . ? O3 Zn1 O7 93.04(11) . . ? O9 Zn1 O7 162.82(11) . . ? O11 Zn1 O7 91.82(10) . . ? O5 Zn1 O7 78.10(10) . . ? O6 Zn2 O4 94.71(11) 2 . ? O6 Zn2 O11 96.19(10) 2 2 ? O4 Zn2 O11 92.24(11) . 2 ? O6 Zn2 O7 94.26(11) 2 . ? O4 Zn2 O7 90.75(11) . . ? O11 Zn2 O7 168.86(10) 2 . ? O6 Zn2 O5 169.75(11) 2 . ? O4 Zn2 O5 92.10(11) . . ? O11 Zn2 O5 91.19(10) 2 . ? O7 Zn2 O5 77.97(10) . . ? O6 Zn2 O9 88.29(11) 2 2 ? O4 Zn2 O9 169.44(11) . 2 ? O11 Zn2 O9 77.36(10) 2 2 ? O7 Zn2 O9 99.14(11) . 2 ? O5 Zn2 O9 86.39(10) . 2 ? O8 Zn3 O8 180.0 . '3_656' ? O8 Zn3 O12 88.59(11) . '3_656' ? O8 Zn3 O12 91.42(11) '3_656' '3_656' ? O8 Zn3 O12 91.41(11) . . ? O8 Zn3 O12 88.58(11) '3_656' . ? O12 Zn3 O12 180.0 '3_656' . ? O8 Zn3 O1 91.62(11) . . ? O8 Zn3 O1 88.38(11) '3_656' . ? O12 Zn3 O1 84.87(10) '3_656' . ? O12 Zn3 O1 95.13(10) . . ? O8 Zn3 O1 88.38(11) . '3_656' ? O8 Zn3 O1 91.62(11) '3_656' '3_656' ? O12 Zn3 O1 95.13(10) '3_656' '3_656' ? O12 Zn3 O1 84.87(10) . '3_656' ? O1 Zn3 O1 180.0 . '3_656' ? O10 Zn4 O10 180.0 '3_556' . ? O10 Zn4 O2 91.39(12) '3_556' '3_556' ? O10 Zn4 O2 88.61(12) . '3_556' ? O10 Zn4 O2 88.61(12) '3_556' . ? O10 Zn4 O2 91.39(12) . . ? O2 Zn4 O2 180.0 '3_556' . ? O10 Zn4 O3 86.52(10) '3_556' . ? O10 Zn4 O3 93.48(10) . . ? O2 Zn4 O3 88.08(10) '3_556' . ? O2 Zn4 O3 91.92(10) . . ? O10 Zn4 O3 93.48(10) '3_556' '3_556' ? O10 Zn4 O3 86.52(10) . '3_556' ? O2 Zn4 O3 91.92(10) '3_556' '3_556' ? O2 Zn4 O3 88.08(10) . '3_556' ? O3 Zn4 O3 180.0 . '3_556' ? C1 O1 Zn1 124.3(3) . . ? C1 O1 Zn3 119.9(2) . . ? Zn1 O1 Zn3 115.74(12) . . ? O2 C1 O1 126.2(4) . . ? O2 C1 H1 118(3) . . ? O1 C1 H1 116(3) . . ? C1 O2 Zn4 139.6(3) . . ? C2 O3 Zn1 128.9(2) . . ? C2 O3 Zn4 118.9(2) . . ? Zn1 O3 Zn4 112.16(12) . . ? O4 C2 O3 126.8(4) . . ? O4 C2 H2 119(3) . . ? O3 C2 H2 114(3) . . ? C2 O4 Zn2 130.2(3) . . ? C3 O5 Zn1 132.5(3) . . ? C3 O5 Zn2 127.8(2) . . ? Zn1 O5 Zn2 97.22(11) . . ? O6 C3 O5 126.6(4) . . ? O6 C3 H3 121(3) . . ? O5 C3 H3 113(3) . . ? C3 O6 Zn2 126.8(3) . '2_545' ? C4 O7 Zn2 125.8(3) . . ? C4 O7 Zn1 132.5(3) . . ? Zn2 O7 Zn1 97.57(12) . . ? O8 C4 O7 126.4(4) . . ? O8 C4 H4 118(3) . . ? O7 C4 H4 115(3) . . ? C4 O8 Zn3 132.0(3) . . ? C5 O9 Zn1 133.4(3) . . ? C5 O9 Zn2 126.2(3) . '2_545' ? Zn1 O9 Zn2 97.82(10) . '2_545' ? O10 C5 O9 127.2(4) . . ? O10 C5 H5 114(3) . . ? O9 C5 H5 119(3) . . ? C5 O10 Zn4 131.3(3) . . ? C6 O11 Zn2 127.6(2) . '2_545' ? C6 O11 Zn1 131.6(3) . . ? Zn2 O11 Zn1 99.92(11) '2_545' . ? O12 C6 O11 125.9(4) . . ? O12 C6 H6 116(3) . . ? O11 C6 H6 118(3) . . ? C6 O12 Zn3 132.9(3) . . ? O1X C1X O2X 163(6) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Zn1 O1 C1 O2 -11.3(6) . . . . ? Zn3 O1 C1 O2 168.1(3) . . . . ? O1 C1 O2 Zn4 -21.9(7) . . . . ? Zn1 O3 C2 O4 7.7(6) . . . . ? Zn4 O3 C2 O4 -170.5(3) . . . . ? O3 C2 O4 Zn2 1.2(6) . . . . ? Zn1 O5 C3 O6 -6.2(6) . . . . ? Zn2 O5 C3 O6 152.1(3) . . . . ? O5 C3 O6 Zn2 -6.5(6) . . . '2_545' ? Zn2 O7 C4 O8 176.3(3) . . . . ? Zn1 O7 C4 O8 24.6(6) . . . . ? O7 C4 O8 Zn3 6.4(7) . . . . ? Zn1 O9 C5 O10 -14.2(7) . . . . ? Zn2 O9 C5 O10 -171.9(3) '2_545' . . . ? O9 C5 O10 Zn4 -8.2(7) . . . . ? Zn2 O11 C6 O12 -151.9(3) '2_545' . . . ? Zn1 O11 C6 O12 15.1(6) . . . . ? O11 C6 O12 Zn3 19.8(6) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A C3 H3 O8 0.97(5) 2.62(5) 3.395(5) 137(3) '4_565' C4 H4 O6 1.03(6) 2.51(6) 3.162(5) 121(4) 2 C6 H6 O4 0.96(6) 2.67(5) 3.181(5) 114(4) '2_545' _refine_diff_density_max 0.559 _refine_diff_density_min -0.724 _refine_diff_density_rms 0.107 _shelx_res_file ; n17100.res created by SHELXL-2014/7 TITL n17100: 110K CELL 1.54178 11.32608 9.82102 14.44120 90.0000 91.2973 90.0000 ZERR 4 0.00152 0.00136 0.00190 0.0000 0.0048 0.0000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C H O ZN UNIT 25 24 50 12 TEMP -153 SIZE 0.177 0.617 0.657 ACTA REM omit reflections either blocked by the beamstop or on the REM edge of the detector. OMIT -1 0 1 OMIT 1 0 1 OMIT 1 0 1 OMIT 0 1 1 OMIT 0 1 1 REM omit these because they to far out of their predicted position REM and probably didn't integrate well. OMIT 11 0 9 OMIT 8 2 11 OMIT 4 10 5 OMIT 4 10 5 OMIT -4 10 6 OMIT -6 10 1 OMIT -13 1 4 OMIT -11 1 9 OMIT 5 10 5 OMIT 3 8 10 MERG 0 DFIX 1.16 0.005 C1X O1X C1X O2X DFIX 2.32 0.02 O1X O2X RIGU C1X O1X O2X L.S. 12 4 FMAP 2 PLAN 35 BOND $H CONF REM Instructions for potential hydrogen bonds EQIV $1 x-1/2, -y+1/2, z-1/2 HTAB C3 O8_$1 EQIV $2 -x+1/2, y+1/2, -z+1/2 HTAB C4 O6_$2 EQIV $3 -x+1/2, y-1/2, -z+1/2 HTAB C6 O4_$3 REM 0.24961 converged occupancy for CO2 molecule 0.2496(141) WGHT 0.050700 2.383300 BASF 0.40046 FVAR 0.42204 MOLE 1 ZN1 4 0.243313 0.077563 0.368321 11.00000 0.00996 0.00970 = 0.00981 0.00060 0.00347 0.00014 ZN2 4 0.240500 0.391261 0.312997 11.00000 0.01153 0.01013 = 0.01057 0.00103 0.00315 -0.00007 ZN3 4 0.500000 0.000000 0.500000 10.50000 0.00898 0.01468 = 0.01264 0.00131 0.00195 -0.00063 ZN4 4 0.000000 0.000000 0.500000 10.50000 0.01042 0.01342 = 0.01327 0.00160 0.00582 -0.00139 O1 3 0.315677 -0.027421 0.476916 11.00000 0.01178 0.01678 = 0.01274 0.00291 0.00384 -0.00190 C1 1 0.257235 -0.105694 0.530595 11.00000 0.01708 0.01273 = 0.01181 0.00314 0.00122 -0.00021 H1 2 0.299879 -0.157534 0.569393 11.00000 0.00413 O2 3 0.149581 -0.114094 0.533884 11.00000 0.01050 0.01885 = 0.02231 0.00625 0.00638 -0.00126 O3 3 0.102477 0.155148 0.439546 11.00000 0.01277 0.00908 = 0.01576 0.00153 0.00725 0.00121 C2 1 0.070647 0.278594 0.448841 11.00000 0.01162 0.02318 = 0.01237 0.00057 0.00342 0.00033 H2 2 0.002887 0.291969 0.491185 11.00000 0.00577 O4 3 0.111759 0.379176 0.408805 11.00000 0.01783 0.01328 = 0.01822 0.00231 0.00759 0.00022 O5 3 0.191865 0.199380 0.254189 11.00000 0.01506 0.00918 = 0.01190 -0.00031 0.00232 -0.00100 C3 1 0.169926 0.171957 0.169666 11.00000 0.01490 0.01442 = 0.01054 0.00132 -0.00107 0.00240 H3 2 0.138305 0.248971 0.135820 11.00000 0.00815 O6 3 0.183275 0.060643 0.131111 11.00000 0.01941 0.01256 = 0.01438 -0.00305 -0.00102 0.00140 O7 3 0.347188 0.255374 0.390484 11.00000 0.01040 0.01546 = 0.01119 0.00135 0.00032 0.00065 C4 1 0.422224 0.288337 0.453278 11.00000 0.01550 0.01424 = 0.01994 -0.00130 0.00124 -0.00298 H4 2 0.437744 0.391590 0.460136 11.00000 0.04471 O8 3 0.481369 0.209213 0.502377 11.00000 0.01741 0.01745 = 0.02156 0.00058 -0.00341 0.00117 O9 3 0.149404 -0.083191 0.304875 11.00000 0.01165 0.01236 = 0.01370 -0.00137 0.00419 -0.00169 C5 1 0.045785 -0.129376 0.313345 11.00000 0.01562 0.01686 = 0.01470 -0.00327 0.00403 -0.00563 H5 2 0.016626 -0.189191 0.269447 11.00000 0.00840 O10 3 -0.023439 -0.104406 0.376068 11.00000 0.01499 0.02421 = 0.01778 -0.00213 0.00811 -0.00582 O11 3 0.370012 -0.006861 0.280391 11.00000 0.01120 0.01139 = 0.01436 -0.00254 0.00466 0.00023 C6 1 0.481371 -0.014875 0.287811 11.00000 0.01331 0.01762 = 0.01000 0.00046 0.00311 -0.00067 H6 2 0.524502 -0.039752 0.233931 11.00000 0.03058 O12 3 0.541056 0.003527 0.359648 11.00000 0.01341 0.03026 = 0.01396 0.00166 0.00157 0.00017 MOLE 2 C1X 1 -0.255412 -0.250507 0.300283 10.25000 0.03550 0.25938 = 0.11795 0.08134 0.02003 0.02224 O1X 3 -0.259679 -0.298427 0.373625 10.25000 0.07119 0.20198 = 0.10038 0.05146 0.02394 0.01272 O2X 3 -0.244872 -0.173251 0.240170 10.25000 0.05582 0.19671 = 0.07385 0.02519 -0.00005 -0.00653 MOLE 0 HKLF 5 REM n17100: 110K REM R1 = 0.0303 for 4992 Fo > 4sig(Fo) and 0.0306 for all 5024 data REM 245 parameters refined using 12 restraints END WGHT 0.0508 2.3822 REM Highest difference peak 0.559, deepest hole -0.724, 1-sigma level 0.107 Q1 1 0.3358 0.0465 0.3042 11.00000 0.05 0.56 Q2 1 -0.3854 -0.3515 0.2869 11.00000 0.05 0.48 Q3 1 -0.0835 -0.0050 0.5803 11.00000 0.05 0.45 Q4 1 0.1774 -0.0964 0.2642 11.00000 0.05 0.42 Q5 1 0.2184 0.2657 0.2597 11.00000 0.05 0.40 Q6 1 0.1636 0.1240 0.4366 11.00000 0.05 0.38 Q7 1 0.3360 0.1515 0.3104 11.00000 0.05 0.38 Q8 1 0.3229 -0.0264 0.2377 11.00000 0.05 0.37 Q9 1 -0.3736 -0.4233 0.3415 11.00000 0.05 0.37 Q10 1 0.2017 0.1725 0.4004 11.00000 0.05 0.36 Q11 1 0.1587 0.3254 0.3782 11.00000 0.05 0.36 Q12 1 0.1480 0.4094 0.3798 11.00000 0.05 0.36 Q13 1 0.2995 -0.2164 0.5464 11.00000 0.05 0.34 Q14 1 0.0739 0.0018 0.1043 11.00000 0.05 0.34 Q15 1 0.3268 0.1012 0.4067 11.00000 0.05 0.33 Q16 1 -0.3239 -0.3194 0.2649 11.00000 0.05 0.33 Q17 1 0.3798 -0.0259 0.3554 11.00000 0.05 0.33 Q18 1 0.0392 -0.2832 0.2446 11.00000 0.05 0.33 Q19 1 0.3361 -0.1005 0.6597 11.00000 0.05 0.32 Q20 1 0.4071 0.2719 0.3984 11.00000 0.05 0.32 Q21 1 0.2819 -0.2007 0.5273 11.00000 0.05 0.31 Q22 1 0.3472 -0.0701 0.2984 11.00000 0.05 0.31 Q23 1 0.2818 -0.0559 0.4855 11.00000 0.05 0.30 Q24 1 0.5325 0.1181 0.4159 11.00000 0.05 0.30 Q25 1 0.5800 -0.0304 0.4231 11.00000 0.05 0.30 Q26 1 0.4901 0.3313 0.5613 11.00000 0.05 0.29 Q27 1 0.3437 0.0984 0.2316 11.00000 0.05 0.29 Q28 1 0.1055 0.4741 0.5064 11.00000 0.05 0.29 Q29 1 0.3377 0.2040 0.2421 11.00000 0.05 0.29 Q30 1 0.0613 -0.3533 0.3077 11.00000 0.05 0.29 Q31 1 0.3749 0.0988 0.4997 11.00000 0.05 0.29 Q32 1 0.4173 0.1526 0.3843 11.00000 0.05 0.29 Q33 1 0.0812 0.1189 0.0831 11.00000 0.05 0.28 Q34 1 0.0570 0.1082 0.4379 11.00000 0.05 0.28 Q35 1 0.4030 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6.51658 1 -7 2 1 426.782 4.49040 2 -6 2 1 154.140 1.94878 1 -6 2 1 98.4435 1.36857 2 -2 2 6 445.435 5.04240 -2 -5 2 1 445.435 5.04240 1 -4 2 1 3.16943 0.23154 1 -4 2 1 2.78347 0.19511 2 -3 2 1 573.414 5.20669 1 -3 2 1 392.580 3.66813 2 -2 2 1 478.632 4.50847 1 -2 2 1 327.395 3.11431 2 -1 2 1 618.275 6.67787 -2 -1 2 1 618.275 6.67787 1 0 2 1 308.782 3.54601 1 0 2 1 214.715 2.67274 2 1 2 1 387.116 4.19415 1 1 2 1 277.816 2.76682 2 2 2 1 4.69518 0.13492 1 2 2 1 3.40280 0.09187 2 0 2 4 374.987 3.54632 -2 3 2 1 374.987 3.54632 1 4 2 1 204.014 2.24186 2 4 2 1 290.705 3.23557 1 5 2 1 80.7491 1.06521 1 5 2 1 57.9487 0.86042 2 6 2 1 2.16686 0.21725 2 6 2 1 3.82585 0.26039 1 -1 2 8 1993.55 75.4571 -2 6 2 1 1993.55 75.4571 1 -1 2 9 191.061 2.59823 -2 7 2 1 191.061 2.59823 1 8 2 1 10.7370 0.53022 1 8 2 1 6.47573 0.35578 2 -1 2 10 411.444 17.4684 -2 8 2 1 411.444 17.4684 1 9 2 1 208.660 2.51028 2 9 2 1 314.833 3.92998 1 10 2 1 40.4591 0.96513 1 10 2 1 24.1524 0.69250 2 -2 2 14 245.541 4.45736 -2 11 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4 3 1 1172.65 12.7523 1 5 3 1 366.146 4.07424 2 5 3 1 534.233 6.03315 1 6 3 1 452.037 5.14932 1 6 3 1 315.116 3.80782 2 -1 3 9 309.449 4.47979 -2 7 3 1 309.449 4.47979 1 8 3 1 78.0929 1.17211 2 8 3 1 119.488 1.81635 1 -1 3 10 158.071 7.70045 -2 8 3 1 158.071 7.70045 1 9 3 1 2.67815 0.29701 1 9 3 1 1.74533 0.21814 2 10 3 1 225.340 3.03753 1 10 3 1 144.372 2.13985 2 -2 3 14 398.524 8.69890 -2 11 3 1 398.524 8.69890 1 12 3 1 71.9817 1.56435 1 12 3 1 46.6478 1.16585 2 13 3 1 3.46946 0.49985 1 13 3 1 2.15247 0.79073 2 -12 4 1 12.3123 0.55822 1 -12 4 1 8.66275 0.47332 2 -11 4 1 72.9399 1.72113 1 -11 4 1 45.8850 1.13742 2 -10 4 1 1.17933 0.22383 2 -10 4 1 2.85349 0.32587 1 -3 4 11 127.752 2.20096 -2 -9 4 1 127.752 2.20096 1 -8 4 1 32.6847 0.68786 2 -8 4 1 47.2884 0.87586 1 -7 4 1 700.804 8.13542 1 -7 4 1 463.748 5.47280 2 -6 4 1 10.0451 0.41236 2 -6 4 1 14.6227 0.51998 1 -2 4 6 2580.41 31.1714 -2 -5 4 1 2580.41 31.1714 1 -4 4 1 109.476 2.04108 2 -4 4 1 160.404 2.15235 1 -3 4 1 178.184 2.55298 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4 6 1 506.274 12.5307 2 4 6 1 691.389 12.5474 1 5 6 1 853.451 17.3079 1 5 6 1 613.772 16.9497 2 6 6 1 52.8291 1.35270 2 6 6 1 77.2497 1.82238 1 -1 6 9 394.302 8.50443 -2 7 6 1 394.302 8.50443 1 8 6 1 81.7060 1.72055 2 8 6 1 128.059 3.01980 1 9 6 1 308.485 6.24258 1 9 6 1 194.026 3.63027 2 10 6 1 38.6226 1.02385 2 10 6 1 66.1405 1.55188 1 -2 6 14 742.697 13.9099 -2 11 6 1 742.697 13.9099 1 -10 7 1 327.149 5.55745 2 -10 7 1 514.523 10.0176 1 -3 7 11 275.356 5.64463 -2 -9 7 1 275.356 5.64463 1 -8 7 1 10.1802 0.66153 2 -8 7 1 19.0672 1.05588 1 -7 7 1 138.491 3.15303 1 -7 7 1 90.4962 2.29387 2 -6 7 1 452.936 10.2677 1 -6 7 1 307.646 6.41359 2 -2 7 6 61.6126 3.00229 -2 -5 7 1 61.6126 3.00229 1 -4 7 1 93.0585 2.36148 2 -4 7 1 133.519 3.35856 1 -3 7 1 38.4361 1.16834 2 -3 7 1 52.1855 1.29357 1 -2 7 1 1687.55 23.7481 1 -2 7 1 1244.13 20.2865 2 -1 7 1 85.2755 2.50915 -2 -1 7 1 85.2755 2.50915 1 0 7 1 189.277 4.30461 2 0 7 1 238.811 5.64052 1 1 7 1 495.597 9.35068 1 1 7 1 359.566 6.96729 2 2 7 1 484.728 8.52086 1 2 7 1 331.575 6.59851 2 0 7 4 207.842 4.18449 -2 3 7 1 207.842 4.18449 1 4 7 1 177.290 3.75945 1 4 7 1 126.202 2.95665 2 5 7 1 70.0229 2.17036 1 5 7 1 48.8379 1.67873 2 6 7 1 364.270 7.31499 2 6 7 1 542.898 10.3706 1 -1 7 9 58.9694 2.74574 -2 7 7 1 58.9694 2.74574 1 8 7 1 2.52123 0.62831 1 8 7 1 2.83371 0.39686 2 -1 7 10 58.4243 4.14122 -2 8 7 1 58.4243 4.14122 1 9 7 1 43.0479 1.50591 1 9 7 1 26.7513 0.90703 2 10 7 1 121.978 2.39242 2 10 7 1 198.691 3.86299 1 -3 8 11 21.9438 1.12645 -2 -9 8 1 21.9438 1.12645 1 -8 8 1 3.36524 0.41684 2 -8 8 1 4.70151 0.50038 1 -7 8 1 66.8708 2.02463 1 -7 8 1 40.7584 1.46542 2 -6 8 1 7.31651 0.62148 2 -6 8 1 11.3936 0.87679 1 -2 8 6 131.443 3.94152 -2 -5 8 1 131.443 3.94152 1 -4 8 1 3.22489 0.35413 2 -4 8 1 3.39237 0.51430 1 -3 8 1 22.7710 0.90699 1 -3 8 1 15.5194 0.82256 2 -2 8 1 28.8480 0.96845 1 -2 8 1 19.6425 0.62641 2 -1 8 1 43.0424 1.42461 -2 -1 8 1 43.0424 1.42461 1 0 8 1 46.5545 1.48972 1 0 8 1 34.1391 1.13655 2 1 8 1 11.7953 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134.055 3.66111 2 0 9 4 78.5240 2.74247 -2 3 9 1 78.5240 2.74247 1 4 9 1 225.590 5.63514 2 4 9 1 326.899 8.12265 1 5 9 1 36.6529 1.68185 2 5 9 1 55.2267 2.57835 1 6 9 1 449.225 9.60608 2 6 9 1 675.139 16.2571 1 -1 9 9 39.3129 1.58195 -2 7 9 1 39.3129 1.58195 1 8 9 1 123.960 4.50453 1 8 9 1 76.4152 2.69942 2 -7 10 1 155.523 8.09003 1 -6 10 1 0.59486 0.31349 2 -6 10 1 134.192 7.78384 1 -2 10 6 120.993 5.12260 -2 -5 10 1 120.993 5.12260 1 -4 10 1 337.392 11.9764 1 -4 10 1 243.852 8.98553 2 -3 10 1 27.4147 1.56750 2 -3 10 1 41.2109 3.07372 1 -2 10 1 170.626 4.62513 1 -2 10 1 121.934 3.32343 2 -1 10 1 343.456 7.08372 -2 -1 10 1 343.456 7.08372 1 0 10 1 553.117 10.6679 1 0 10 1 401.612 7.86509 2 1 10 1 144.221 4.09773 1 1 10 1 107.779 3.08941 2 2 10 1 226.530 5.60463 1 2 10 1 166.370 4.78546 2 0 10 4 562.143 14.8179 -2 3 10 1 562.143 14.8179 1 4 10 1 111.048 4.15984 1 4 10 1 94.3707 4.59557 2 5 10 1 137.797 5.89403 1 5 10 1 69.9134 4.37511 2 6 10 1 89.0564 2.99210 2 6 10 1 136.299 7.68663 1 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2 6446.11 78.7401 -2 -2 0 2 6446.11 78.7401 1 -1 0 2 2.31766 0.13766 1 -1 0 2 1.63005 0.11699 2 0 0 2 351.114 3.90051 1 0 0 2 229.522 2.68688 2 1 0 2 1.45926 0.07836 2 1 0 2 2.24161 0.10301 1 1 0 3 4252.79 52.7209 -2 2 0 2 4252.79 52.7209 1 3 0 2 1.10892 0.11078 2 3 0 2 1.65175 0.14421 1 4 0 2 415.813 5.92746 1 4 0 2 298.308 4.22457 2 5 0 2 1.76875 0.17767 1 5 0 2 1.23306 0.16338 2 0 0 8 2431.61 35.1569 -2 6 0 2 2431.61 35.1569 1 7 0 2 1.83702 0.30068 1 7 0 2 0.53042 0.19342 2 8 0 2 285.210 4.97681 1 8 0 2 197.726 3.26485 2 9 0 2 1.24566 0.38311 2 9 0 2 2.29728 0.41405 1 -1 0 13 2102.82 41.7744 -2 10 0 2 2102.82 41.7744 1 11 0 2 0.98051 0.62454 1 11 0 2 1.38472 0.63266 2 12 0 2 2.60885 0.43837 2 12 0 2 2.41288 0.60103 1 13 0 2 0.49499 0.43131 1 13 0 2 0.71793 0.42952 2 -13 1 2 11.8228 0.72648 1 -13 1 2 7.20748 0.74785 2 -12 1 2 166.780 2.92068 1 -12 1 2 109.894 2.52741 2 -11 1 2 2.02193 0.33215 1 -11 1 2 1.37377 0.22921 2 -4 1 12 245.994 3.79394 -2 -10 1 2 245.994 3.79394 1 -9 1 2 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8.99307 0.59780 2 -1 6 12 37.3053 3.37009 -2 9 6 2 37.3053 3.37009 1 -1 6 13 95.2276 2.02822 -2 10 6 2 95.2276 2.02822 1 11 6 2 101.472 2.63854 2 11 6 2 167.357 4.39847 1 -1 6 14 192.885 8.09716 -2 11 6 2 192.885 8.09716 1 -4 7 12 221.441 5.43000 -2 -10 7 2 221.441 5.43000 1 -9 7 2 375.590 6.58679 1 -9 7 2 246.128 4.46000 2 -8 7 2 184.965 3.62906 2 -8 7 2 284.423 5.35951 1 -7 7 2 100.438 2.84543 1 -7 7 2 64.7098 1.71235 2 -3 7 7 153.075 3.74138 -2 -6 7 2 153.075 3.74138 1 -5 7 2 243.332 5.01334 2 -5 7 2 354.193 8.30995 1 -4 7 2 169.870 3.55183 2 -4 7 2 256.060 6.11565 1 -3 7 2 375.511 7.08053 2 -3 7 2 535.077 8.78517 1 -2 7 2 1305.33 19.2790 -2 -2 7 2 1305.33 19.2790 1 -1 7 2 711.423 11.9540 1 -1 7 2 569.086 9.91292 2 0 7 2 540.211 9.62062 2 0 7 2 684.955 12.0676 1 1 7 2 21.8418 0.89616 2 1 7 2 30.3236 1.17357 1 1 7 3 1119.35 20.7678 -2 2 7 2 1119.35 20.7678 1 3 7 2 222.827 4.77530 2 3 7 2 312.399 5.48648 1 4 7 2 26.1968 1.17876 1 4 7 2 18.0979 0.74891 2 5 7 2 151.631 3.22689 1 5 7 2 114.282 2.95597 2 0 7 8 121.628 3.28821 -2 6 7 2 121.628 3.28821 1 7 7 2 253.137 5.71757 2 7 7 2 384.656 7.38367 1 0 7 9 381.067 15.8468 -2 7 7 2 381.067 15.8468 1 8 7 2 34.1105 1.10304 2 8 7 2 48.6784 1.54717 1 9 7 2 98.6980 2.08059 2 9 7 2 156.008 2.91226 1 -1 7 13 132.864 2.75319 -2 10 7 2 132.864 2.75319 1 -9 8 2 4.85707 0.44999 2 -9 8 2 8.21756 0.56071 1 -8 8 2 40.0422 1.18361 2 -8 8 2 64.3395 1.71241 1 -7 8 2 1.65127 0.37956 1 -7 8 2 1.84661 0.42282 2 -3 8 7 427.692 11.0005 -2 -6 8 2 427.692 11.0005 1 -5 8 2 9.19544 0.78340 2 -5 8 2 12.1382 1.13781 1 -4 8 2 8.74160 0.83231 1 -4 8 2 5.51913 0.51726 2 -3 8 2 166.025 3.11476 1 -3 8 2 117.188 2.64091 2 -2 8 2 273.574 4.63565 -2 -2 8 2 273.574 4.63565 1 -1 8 2 2.50475 0.38638 1 -1 8 2 1.67853 0.23545 2 0 8 2 124.424 2.46554 2 0 8 2 168.788 3.69661 1 1 8 2 85.3512 2.10315 1 1 8 2 63.3503 1.56740 2 1 8 3 301.818 5.62856 -2 2 8 2 301.818 5.62856 1 3 8 2 108.826 2.59288 1 3 8 2 76.5843 1.82053 2 4 8 2 68.1086 2.20409 1 4 8 2 48.1315 2.04918 2 5 8 2 4.09432 0.44377 2 5 8 2 6.57611 0.82832 1 0 8 8 640.530 12.3475 -2 6 8 2 640.530 12.3475 1 7 8 2 2.73131 0.56363 1 7 8 2 1.49927 0.39924 2 0 8 9 374.773 15.3965 -2 7 8 2 374.773 15.3965 1 8 8 2 7.67178 0.73145 1 8 8 2 4.20653 0.40280 2 9 8 2 53.7016 1.30116 2 9 8 2 84.2839 2.26221 1 -8 9 2 182.573 4.97579 1 -8 9 2 114.052 3.55645 2 -7 9 2 205.289 4.68522 1 -7 9 2 126.307 3.82190 2 -3 9 7 439.424 10.8670 -2 -6 9 2 439.424 10.8670 1 -5 9 2 255.560 6.32160 2 -5 9 2 404.484 10.4354 1 -4 9 2 318.869 7.45237 2 -4 9 2 446.761 12.4407 1 -3 9 2 147.148 3.99185 2 -3 9 2 216.938 5.59549 1 -2 9 2 516.141 9.98145 -2 -2 9 2 516.141 9.98145 1 -1 9 2 229.934 5.08905 2 -1 9 2 319.394 6.86388 1 0 9 2 116.374 3.33801 1 0 9 2 81.9898 2.47565 2 1 9 2 193.578 4.44355 2 1 9 2 267.952 5.98143 1 1 9 3 159.010 4.31253 -2 2 9 2 159.010 4.31253 1 3 9 2 5.86647 0.58832 1 3 9 2 5.15897 0.69106 2 4 9 2 322.971 7.53132 1 4 9 2 226.465 5.66362 2 5 9 2 228.618 6.42121 1 5 9 2 150.945 4.17182 2 0 9 8 141.703 3.82634 -2 6 9 2 141.703 3.82634 1 7 9 2 221.843 6.69506 1 7 9 2 154.815 4.31194 2 0 9 9 522.666 20.2149 -2 7 9 2 522.666 20.2149 1 8 9 2 19.6998 1.16112 2 8 9 2 29.3863 1.74287 1 -7 10 2 23.3809 2.68453 1 -3 10 7 108.137 6.23316 -2 -6 10 2 108.137 6.23316 1 -5 10 2 44.0397 3.19727 2 -5 10 2 59.1334 4.87935 1 -4 10 2 162.329 6.58450 2 -4 10 2 214.904 8.53289 1 -3 10 2 112.713 5.60044 1 -3 10 2 74.0547 2.71273 2 -2 10 2 643.265 14.7605 -2 -2 10 2 643.265 14.7605 1 -1 10 2 1.42857 0.45080 2 -1 10 2 0.76821 0.59965 1 0 10 2 3.59545 0.64591 2 0 10 2 4.87269 0.80380 1 1 10 2 6.69830 0.93797 1 1 10 2 5.25358 0.72641 2 1 10 3 728.015 14.3916 -2 2 10 2 728.015 14.3916 1 3 10 2 16.6987 2.01951 1 3 10 2 11.8107 1.17489 2 1 10 4 159.551 8.42463 -2 3 10 2 159.551 8.42463 1 4 10 2 5.01626 0.94491 1 4 10 2 6.38683 2.19397 2 5 10 2 57.4999 3.29287 1 0 10 8 260.706 12.0889 -2 6 10 2 260.706 12.0889 1 -4 11 2 5.74518 1.17967 2 -4 11 2 8.81872 1.92750 1 -3 11 2 26.6639 2.39728 2 -3 11 2 39.2853 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6.57333 1 3 5 4 274.900 5.01360 2 2 5 6 116.494 2.97539 -2 4 5 4 116.494 2.97539 1 5 5 4 160.624 2.77306 1 5 5 4 105.291 2.11767 2 6 5 4 23.7606 0.55849 2 6 5 4 37.7796 0.79345 1 7 5 4 4.95163 0.36612 1 7 5 4 2.86105 0.26646 2 1 5 11 124.194 2.23012 -2 8 5 4 124.194 2.23012 1 9 5 4 12.1628 0.63005 2 9 5 4 20.0116 0.98738 1 1 5 12 505.042 10.4373 -2 9 5 4 505.042 10.4373 1 10 5 4 2.23244 0.38862 1 10 5 4 0.77802 0.37682 2 11 5 4 1.63630 0.28008 2 11 5 4 2.49319 0.40440 1 -11 6 4 80.3178 2.46070 2 -11 6 4 135.269 4.67627 1 -10 6 4 7.01445 0.57624 1 -10 6 4 5.48378 0.46122 2 -9 6 4 1.52964 0.27159 2 -9 6 4 2.82289 0.35778 1 -5 6 9 1002.30 16.6292 -2 -8 6 4 1002.30 16.6292 1 -7 6 4 74.0042 1.50704 2 -7 6 4 114.197 2.02873 1 -6 6 4 88.0582 1.74671 2 -6 6 4 134.327 2.58356 1 -5 6 4 19.5984 0.91532 1 -5 6 4 13.9720 0.75253 2 -4 6 4 2721.06 65.4447 -2 -4 6 4 2721.06 65.4447 1 -3 6 4 10.9140 1.25941 1 -3 6 4 5.07439 0.75089 2 -2 6 4 193.866 4.68388 2 -2 6 4 281.337 5.78503 1 -1 6 4 50.6644 1.47630 2 -1 6 4 73.0688 1.94184 1 3 6 1 2849.49 74.0657 -2 0 6 4 2849.49 74.0657 1 1 6 4 1.70029 0.36030 1 1 6 4 2.11151 0.30893 2 2 6 4 77.9628 1.86052 2 2 6 4 114.999 2.50749 1 3 6 4 6.05081 0.48339 1 3 6 4 3.69811 0.40863 2 2 6 6 884.929 24.3147 -2 4 6 4 884.929 24.3147 1 5 6 4 20.2761 0.84515 1 5 6 4 13.4764 0.75657 2 6 6 4 13.6749 0.56866 1 6 6 4 9.03233 0.52791 2 7 6 4 7.66581 0.54052 1 7 6 4 4.98595 0.39289 2 1 6 10 27.1859 2.15658 -2 7 6 4 27.1859 2.15658 1 1 6 11 760.404 12.0372 -2 8 6 4 760.404 12.0372 1 9 6 4 48.4777 1.68334 1 9 6 4 32.3848 1.15033 2 1 6 12 65.9677 3.15910 -2 9 6 4 65.9677 3.15910 1 10 6 4 97.1939 2.00403 1 10 6 4 60.8338 1.44466 2 11 6 4 29.5696 1.21887 1 11 6 4 19.8357 1.28187 2 -10 7 4 5.42258 0.52563 1 -10 7 4 3.41120 0.35610 2 -9 7 4 18.7887 0.78487 2 -9 7 4 27.9315 1.06528 1 -5 7 9 206.683 4.87055 -2 -8 7 4 206.683 4.87055 1 -7 7 4 1.73323 0.39704 2 -7 7 4 1.68123 0.40120 1 -6 7 4 208.943 4.10140 1 -6 7 4 134.516 3.01274 2 -5 7 4 1.73088 0.54851 2 -5 7 4 2.49217 0.59558 1 -4 7 4 556.503 11.3896 -2 -4 7 4 556.503 11.3896 1 -3 7 4 12.6365 0.98712 2 -3 7 4 16.7898 1.09177 1 -2 7 4 107.929 2.28804 2 -2 7 4 146.086 3.25605 1 -1 7 4 4.80986 0.42310 2 -1 7 4 6.52036 0.46094 1 0 7 4 237.962 14.7470 1 3 7 1 212.727 4.92624 -2 0 7 4 212.727 4.92624 1 1 7 4 142.819 2.86863 2 1 7 4 185.706 4.41861 1 2 7 4 425.150 7.81009 1 2 7 4 296.990 5.90504 2 3 7 4 5.31150 0.41475 2 3 7 4 7.81676 0.64956 1 4 7 4 370.625 24.9992 1 2 7 6 351.810 8.14060 -2 4 7 4 351.810 8.14060 1 5 7 4 80.6683 2.44963 1 5 7 4 56.5008 1.82751 2 6 7 4 305.775 6.26523 1 6 7 4 191.846 4.73071 2 7 7 4 47.8170 1.31864 1 7 7 4 29.4096 1.10368 2 1 7 11 298.830 5.32523 -2 8 7 4 298.830 5.32523 1 9 7 4 1.73402 0.33123 2 9 7 4 1.60816 0.41750 1 1 7 12 35.9464 2.09614 -2 9 7 4 35.9464 2.09614 1 10 7 4 62.8553 1.93711 1 10 7 4 40.1219 1.13463 2 -9 8 4 42.7229 1.19006 1 -9 8 4 26.7887 1.00309 2 -5 8 9 649.733 12.7232 -2 -8 8 4 649.733 12.7232 1 -7 8 4 215.646 4.43883 1 -7 8 4 134.213 3.10995 2 -6 8 4 79.2132 2.27129 2 -6 8 4 125.352 3.29873 1 -5 8 4 99.8909 3.66189 1 -5 8 4 66.0781 2.26893 2 -4 8 4 702.452 15.6906 -2 -4 8 4 702.452 15.6906 1 -3 8 4 61.3121 1.98966 1 -3 8 4 42.3444 1.93760 2 -2 8 4 4.36609 0.41012 1 -2 8 4 1.69420 0.32226 2 -1 8 4 48.3794 1.30416 2 -1 8 4 65.5539 1.90012 1 3 8 1 529.639 9.94663 -2 0 8 4 529.639 9.94663 1 1 8 4 64.4533 1.75464 1 1 8 4 47.3791 1.38944 2 2 8 4 4.38640 0.44538 1 2 8 4 3.94042 0.45891 2 3 8 4 108.605 3.09825 1 3 8 4 78.3184 2.24360 2 2 8 6 670.823 12.2292 -2 4 8 4 670.823 12.2292 1 5 8 4 285.228 7.54624 1 2 8 7 313.447 12.8185 -2 5 8 4 313.447 12.8185 1 5 8 4 193.921 3.85601 2 6 8 4 14.7136 0.85517 1 6 8 4 11.6366 0.65635 2 7 8 4 81.2819 2.05676 2 7 8 4 119.539 2.95323 1 1 8 11 353.461 8.11970 -2 8 8 4 353.461 8.11970 1 9 8 4 127.273 3.94493 1 9 8 4 88.9154 4.27676 2 -7 9 4 35.2261 1.10041 1 -7 9 4 13.0981 2.75859 2 -6 9 4 2.64500 0.42089 2 -6 9 4 7.82118 0.96491 1 -5 9 4 77.6668 7.55603 2 -4 9 4 3.12141 0.74152 -2 -4 9 4 3.12141 0.74152 1 -3 9 4 227.510 7.36727 1 -3 9 4 159.032 5.28746 2 -2 9 4 15.5943 1.01148 1 -2 9 4 12.9304 1.33207 2 -1 9 4 34.6660 1.72899 2 -1 9 4 45.6802 2.05496 1 3 9 1 80.7530 2.57745 -2 0 9 4 80.7530 2.57745 1 1 9 4 30.0936 1.43671 1 1 9 4 21.0291 0.95541 2 2 9 4 27.6021 1.40340 1 2 9 4 20.4497 1.06821 2 3 9 4 512.345 10.4863 2 3 9 4 726.185 17.4593 1 2 9 6 159.234 4.89480 -2 4 9 4 159.234 4.89480 1 5 9 4 135.967 3.71997 2 5 9 4 190.549 7.30842 1 2 9 7 267.346 10.9489 -2 5 9 4 267.346 10.9489 1 6 9 4 61.7561 2.41960 1 6 9 4 43.3465 1.77932 2 7 9 4 120.869 3.83903 2 7 9 4 173.968 6.55838 1 -6 10 4 387.783 16.9549 1 -5 10 4 124.439 6.24630 2 -5 10 4 222.713 11.3329 1 -4 10 4 40.3620 3.60400 -2 -4 10 4 40.3620 3.60400 1 -3 10 4 76.8270 3.60787 2 -3 10 4 101.921 7.22591 1 -2 10 4 170.061 7.32751 1 -2 10 4 118.470 5.00016 2 -1 10 4 74.0075 3.12052 2 -1 10 4 105.145 3.82799 1 3 10 1 579.111 13.3751 -2 0 10 4 579.111 13.3751 1 1 10 4 209.351 6.04249 1 1 10 4 149.344 6.34835 2 2 10 4 21.4305 1.92673 2 2 10 4 31.5953 2.55559 1 3 10 4 98.7918 4.54876 2 3 10 4 141.426 6.07001 1 5 10 4 21.9398 1.59520 2 2 10 7 30.6458 2.21007 -2 5 10 4 30.6458 2.21007 1 6 10 4 118.486 5.71999 2 -3 11 4 1.92798 1.25104 1 -3 11 4 1.81561 0.76613 2 -2 11 4 140.167 8.22333 1 -2 11 4 94.5648 5.27679 2 -1 11 4 9.49629 2.23536 1 -1 11 4 3.52947 1.08422 2 3 11 1 115.117 6.72813 -2 0 11 4 115.117 6.72813 1 1 11 4 4.47865 1.20976 2 -12 0 5 1.47082 0.43254 1 -12 0 5 1.47824 0.85253 2 -11 0 5 732.378 17.4186 2 -11 0 5 1169.57 27.0369 1 -10 0 5 1.99015 0.35106 1 -10 0 5 1.29860 0.28615 2 -6 0 10 550.666 9.74276 -2 -9 0 5 550.666 9.74276 1 -8 0 5 1.67083 0.27496 1 -8 0 5 1.81130 0.37344 2 -7 0 5 567.421 7.08729 2 -7 0 5 871.136 10.2022 1 -6 0 5 0.64188 0.18267 2 -6 0 5 1.45301 0.21030 1 -5 0 5 683.731 7.39578 -2 -5 0 5 683.731 7.39578 1 -4 0 5 1.45352 0.20349 2 -4 0 5 5.24929 0.66073 1 -3 0 5 5207.05 55.9368 1 -3 0 5 3307.60 38.5543 2 -2 0 5 1.15128 0.19021 1 -2 0 5 1.22160 0.18494 2 4 0 0 4173.68 68.2412 -2 -1 0 5 4173.68 68.2412 1 0 0 5 0.74451 0.12540 2 0 0 5 1.63553 0.17756 1 1 0 5 1904.79 25.3765 1 1 0 5 1266.80 17.7916 2 2 0 5 1.39724 0.17613 1 2 0 5 1.68033 0.17736 2 3 0 5 2429.90 30.6918 -2 3 0 5 2429.90 30.6918 1 4 0 5 4.08318 0.57840 1 4 0 5 1.11035 0.16404 2 5 0 5 128.516 1.97151 1 5 0 5 87.7701 1.44173 2 6 0 5 1.59609 0.23613 1 6 0 5 1.02973 0.18431 2 2 0 10 333.576 5.85019 -2 7 0 5 333.576 5.85019 1 8 0 5 1.76193 0.27064 2 8 0 5 2.13640 0.64613 1 9 0 5 699.958 10.1254 2 9 0 5 1030.94 16.3113 1 10 0 5 2.68447 0.58323 1 10 0 5 1.03868 0.34696 2 1 0 15 331.967 15.0851 -2 11 0 5 331.967 15.0851 1 12 0 5 0.62818 0.44982 2 12 0 5 1.28493 0.61631 1 -12 1 5 5.89125 0.55531 2 -12 1 5 9.47927 0.73588 1 -11 1 5 28.2364 0.92051 1 -11 1 5 17.8397 0.67994 2 -10 1 5 590.793 6.85578 2 -10 1 5 936.169 9.97993 1 -6 1 10 23.7993 0.73196 -2 -9 1 5 23.7993 0.73196 1 -8 1 5 94.1328 1.27171 1 -8 1 5 61.5014 0.92619 2 -7 1 5 3.32587 0.26472 1 -7 1 5 2.42527 0.22303 2 -6 1 5 2359.68 21.0375 2 -6 1 5 3708.56 32.8176 1 -5 1 5 281.736 2.78922 -2 -5 1 5 281.736 2.78922 1 -4 1 5 709.065 6.58427 1 -4 1 5 467.321 4.69650 2 -3 1 5 413.722 4.29406 1 -3 1 5 269.711 3.00986 2 -2 1 5 4760.65 46.8045 1 -2 1 5 3176.25 29.9902 2 4 1 0 132.467 1.56878 -2 -1 1 5 132.467 1.56878 1 0 1 5 697.475 6.24002 1 0 1 5 456.734 4.14230 2 1 1 5 471.271 4.46192 1 1 1 5 310.083 3.11052 2 2 1 5 811.943 7.05928 2 2 1 5 1194.18 10.5379 1 3 1 5 342.247 3.38969 -2 3 1 5 342.247 3.38969 1 4 1 5 27.5202 0.45067 2 4 1 5 39.6138 0.59216 1 5 1 5 409.160 3.96537 1 5 1 5 286.853 2.84156 2 6 1 5 2326.24 21.9047 1 6 1 5 1645.79 15.9545 2 2 1 10 115.298 1.80865 -2 7 1 5 115.298 1.80865 1 2 1 11 859.833 15.8648 -2 8 1 5 859.833 15.8648 1 8 1 5 21.1306 0.55861 2 8 1 5 29.2768 0.96776 1 9 1 5 7.27869 0.40490 2 9 1 5 10.4040 0.55788 1 10 1 5 431.262 4.94044 2 10 1 5 658.049 8.17818 1 1 1 14 743.184 30.6050 -2 10 1 5 743.184 30.6050 1 1 1 15 40.7442 2.11038 -2 11 1 5 40.7442 2.11038 1 12 1 5 7.35870 0.85477 1 12 1 5 5.08672 0.55633 2 1 1 16 161.286 5.43762 -2 12 1 5 161.286 5.43762 1 -12 2 5 48.3082 1.38246 1 -12 2 5 30.2614 1.14299 2 -11 2 5 42.6654 1.13678 2 -11 2 5 71.6332 1.65516 1 -10 2 5 51.3557 1.03469 2 -10 2 5 80.0410 1.31403 1 -6 2 10 159.956 2.29098 -2 -9 2 5 159.956 2.29098 1 -8 2 5 2.58065 0.20812 2 -8 2 5 4.46713 0.27591 1 -7 2 5 374.885 3.77705 1 -7 2 5 239.903 2.87441 2 -6 2 5 25.3829 0.58401 2 -6 2 5 38.9888 0.73868 1 -5 2 5 418.629 4.67628 -2 -5 2 5 418.629 4.67628 1 -4 2 5 17.0152 0.51644 1 -4 2 5 11.7059 0.42885 2 -3 2 5 47.2744 0.85096 1 -3 2 5 29.9742 0.67460 2 -2 2 5 1.65180 0.17035 1 -2 2 5 1.36167 0.15078 2 4 2 0 1908.79 23.0696 -2 -1 2 5 1908.79 23.0696 1 0 2 5 3.77179 0.18930 1 0 2 5 2.65329 0.17294 2 1 2 5 454.375 4.73455 1 1 2 5 307.864 3.29516 2 2 2 5 337.050 3.60209 1 2 2 5 230.274 2.57715 2 3 2 5 1186.39 13.4686 -2 3 2 5 1186.39 13.4686 1 4 2 5 94.5607 1.24626 2 4 2 5 135.564 1.66261 1 5 2 5 143.811 1.85464 2 5 2 5 209.112 2.50931 1 6 2 5 231.067 2.81716 2 6 2 5 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7.24416 1 -5 7 6 248.450 4.50148 2 -4 7 6 74.4158 2.53572 2 -4 7 6 114.632 3.20345 1 -3 7 6 30.5287 1.50695 2 -3 7 6 39.1777 1.84085 1 -5 7 1 68.2774 2.84112 -2 -2 7 6 68.2774 2.84112 1 -1 7 6 164.813 4.24502 1 -1 7 6 119.436 3.33734 2 0 7 6 107.474 2.66126 2 0 7 6 143.437 3.18716 1 1 7 6 397.202 7.13409 1 1 7 6 280.305 5.00709 2 4 7 4 280.276 7.15720 -2 2 7 6 280.276 7.15720 1 3 7 6 15.2684 0.73315 2 3 7 6 22.6798 0.96942 1 4 7 6 205.863 4.32044 1 4 7 6 143.539 3.25258 2 5 7 6 341.293 6.57695 2 5 7 6 495.901 9.82752 1 3 7 9 77.4654 2.38747 -2 6 7 6 77.4654 2.38747 1 7 7 6 75.8185 2.54627 2 3 7 10 265.221 6.42839 -2 7 7 6 265.221 6.42839 1 7 7 6 113.838 4.66167 1 8 7 6 137.575 2.90681 1 8 7 6 82.8213 1.77758 2 9 7 6 81.6674 1.89973 1 9 7 6 54.3230 1.54037 2 -8 8 6 291.772 5.87676 1 -8 8 6 179.435 3.81713 2 -7 8 6 59.8655 1.57770 1 -7 8 6 22.6995 1.84501 2 -6 8 6 5.33273 0.58171 -2 -6 8 6 5.33273 0.58171 1 -5 8 6 17.4735 0.95321 2 -5 8 6 28.9747 1.36440 1 -4 8 6 554.258 10.2100 1 -4 8 6 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8 1 7 857.312 8.91931 2 3 1 13 193.024 3.14338 -2 9 1 7 193.024 3.14338 1 3 1 14 20.8359 1.44852 -2 10 1 7 20.8359 1.44852 1 10 1 7 5.99400 0.84786 2 10 1 7 8.13603 1.25760 1 11 1 7 7.15638 0.57588 2 11 1 7 10.3569 1.02634 1 12 1 7 352.726 13.4694 2 12 1 7 560.414 21.5274 1 -12 2 7 348.530 6.63484 1 -12 2 7 226.858 6.60405 2 -8 2 12 51.9742 1.85507 -2 -11 2 7 51.9742 1.85507 1 -10 2 7 625.023 7.84179 1 -10 2 7 390.226 5.24462 2 -9 2 7 79.5205 1.30918 1 -9 2 7 50.9274 0.86868 2 -8 2 7 198.741 2.03883 1 -8 2 7 127.405 1.47222 2 -7 2 7 53.6400 0.80929 -2 -7 2 7 53.6400 0.80929 1 -6 2 7 571.396 5.56922 2 -6 2 7 892.866 8.61672 1 -5 2 7 47.2502 0.78047 2 -5 2 7 70.8461 1.11455 1 -4 2 7 767.336 7.51360 2 -4 2 7 1212.79 11.6724 1 -6 2 2 606.899 7.75968 -2 -3 2 7 606.899 7.75968 1 -2 2 7 737.481 7.27893 2 -2 2 7 1147.61 10.9155 1 -1 2 7 4.88508 0.29698 2 -1 2 7 6.38434 0.31249 1 0 2 7 709.364 7.33121 1 0 2 7 469.006 5.01171 2 5 2 3 141.052 1.97724 -2 1 2 7 141.052 1.97724 1 2 2 7 906.981 10.3164 1 2 2 7 613.910 6.80496 2 3 2 7 1.34647 0.14633 2 3 2 7 2.02949 0.19509 1 4 2 7 757.279 8.60636 1 4 2 7 525.913 6.17882 2 4 2 8 862.648 10.4627 -2 5 2 7 862.648 10.4627 1 6 2 7 198.976 3.02307 2 4 2 9 890.698 14.5379 -2 6 2 7 890.698 14.5379 1 6 2 7 277.647 4.75525 1 7 2 7 109.448 1.53906 2 7 2 7 154.722 2.15541 1 8 2 7 16.8532 0.53744 2 8 2 7 25.3207 0.71895 1 3 2 13 233.257 4.20406 -2 9 2 7 233.257 4.20406 1 3 2 14 136.123 3.68264 -2 10 2 7 136.123 3.68264 1 10 2 7 16.4967 4.22330 2 10 2 7 19.2030 2.60846 1 11 2 7 1.14183 0.33662 2 11 2 7 1.29477 0.41162 1 -8 3 12 139.266 3.35983 -2 -11 3 7 139.266 3.35983 1 -10 3 7 66.3637 1.21233 2 -10 3 7 114.747 2.05697 1 -9 3 7 263.837 3.28627 1 -9 3 7 168.080 2.13718 2 -8 3 7 120.254 1.62156 1 -8 3 7 77.5367 1.12748 2 -7 3 7 389.495 3.74606 -2 -7 3 7 389.495 3.74606 1 -6 3 7 324.590 3.59120 1 -6 3 7 209.176 2.47650 2 -5 3 7 466.283 5.56945 1 -5 3 7 305.651 4.01266 2 -4 3 7 467.336 5.17828 2 -4 3 7 740.705 8.36725 1 -6 3 2 1907.51 26.7668 -2 -3 3 7 1907.51 26.7668 1 -2 3 7 753.149 8.79301 1 -2 3 7 492.551 5.54598 2 -1 3 7 67.8096 1.12579 1 -1 3 7 44.8607 0.80055 2 0 3 7 322.310 4.00957 1 0 3 7 217.855 2.82794 2 5 3 3 1591.20 22.5608 -2 1 3 7 1591.20 22.5608 1 2 3 7 169.758 2.31221 2 2 3 7 247.938 3.36464 1 3 3 7 124.261 1.99342 1 3 3 7 83.4655 1.31818 2 4 3 7 119.972 1.77059 2 4 3 7 176.627 2.40218 1 4 3 8 73.4700 1.37389 -2 5 3 7 73.4700 1.37389 1 6 3 7 241.259 3.53076 1 4 3 9 435.702 7.53635 -2 6 3 7 435.702 7.53635 1 6 3 7 167.543 2.26540 2 7 3 7 9.31367 0.37715 2 7 3 7 13.4839 0.45593 1 8 3 7 12.7850 0.49479 2 8 3 7 20.1799 0.73117 1 3 3 13 177.222 3.49854 -2 9 3 7 177.222 3.49854 1 10 3 7 133.094 4.86687 2 3 3 14 255.621 6.90505 -2 10 3 7 255.621 6.90505 1 10 3 7 248.019 11.4941 1 11 3 7 45.9500 1.29704 2 11 3 7 75.1509 1.76040 1 -8 4 12 174.102 3.71873 -2 -11 4 7 174.102 3.71873 1 -10 4 7 302.937 5.26053 1 -10 4 7 188.370 3.52204 2 -9 4 7 221.877 2.94889 2 -9 4 7 352.791 4.52755 1 -8 4 7 171.197 2.21941 2 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2.82336 1 11 4 7 4.41730 0.58772 2 11 4 7 6.93826 0.63976 1 -10 5 7 135.592 2.85590 2 -10 5 7 220.864 4.55716 1 -9 5 7 40.5285 0.99555 2 -9 5 7 65.5735 1.54353 1 -8 5 7 1.89922 0.27602 2 -8 5 7 3.21507 0.33054 1 -7 5 7 380.718 5.07694 -2 -7 5 7 380.718 5.07694 1 -6 5 7 747.671 8.96966 2 -6 5 7 1163.29 11.8096 1 -5 5 7 57.5512 1.07016 1 -5 5 7 36.4598 0.82720 2 -4 5 7 40.0765 0.89197 2 -4 5 7 61.1865 1.10748 1 -6 5 2 49.0830 1.78316 -2 -3 5 7 49.0830 1.78316 1 -2 5 7 1304.72 23.6324 2 -2 5 7 2118.17 32.2302 1 -1 5 7 259.596 4.48260 1 -1 5 7 166.067 3.34966 2 0 5 7 2.13623 0.36021 2 0 5 7 2.37659 0.33860 1 5 5 3 353.256 6.17519 -2 1 5 7 353.256 6.17519 1 2 5 7 1537.79 21.5569 1 2 5 7 1055.79 14.9420 2 3 5 7 101.089 1.69727 1 3 5 7 67.4172 1.44978 2 4 5 7 4.26313 0.26534 1 4 5 7 2.64258 0.22930 2 4 5 8 225.832 3.18882 -2 5 5 7 225.832 3.18882 1 4 5 9 1050.44 20.1316 -2 6 5 7 1050.44 20.1316 1 6 5 7 657.246 7.19804 2 6 5 7 957.664 12.4860 1 7 5 7 165.901 2.23710 2 7 5 7 259.242 3.29478 1 8 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361.448 14.3527 1 5 5 12 740.056 16.6861 -2 8 5 9 740.056 16.6861 1 9 5 9 2.18872 0.37294 1 9 5 9 1.27971 0.28421 2 5 5 13 15.7061 1.98248 -2 9 5 9 15.7061 1.98248 1 -9 6 9 22.9098 1.60324 -2 -9 6 9 22.9098 1.60324 1 -8 6 9 106.067 2.30567 1 -8 6 9 65.6304 1.79915 2 -7 6 9 13.8663 0.71710 2 -7 6 9 21.6183 0.94760 1 -6 6 9 30.2786 1.02627 1 -6 6 9 18.9775 0.81460 2 -8 6 4 869.935 14.3824 -2 -5 6 9 869.935 14.3824 1 -4 6 9 40.6991 1.24816 1 -4 6 9 26.6158 0.85422 2 -3 6 9 61.1861 1.59678 1 -3 6 9 41.2446 1.10363 2 -2 6 9 59.2189 1.39483 2 -2 6 9 91.5534 1.94073 1 7 6 1 301.235 5.20568 -2 -1 6 9 301.235 5.20568 1 0 6 9 131.595 2.63280 2 0 6 9 194.469 3.37321 1 1 6 9 22.7826 0.73982 2 1 6 9 34.0639 0.99459 1 2 6 9 39.5359 0.99467 1 2 6 9 28.2269 0.73389 2 6 6 6 446.798 7.20647 -2 3 6 9 446.798 7.20647 1 4 6 9 17.2988 0.88674 1 6 6 7 44.4688 1.93672 -2 4 6 9 44.4688 1.93672 1 4 6 9 11.8080 1.24287 2 5 6 9 30.4777 0.88613 2 5 6 9 43.6035 1.11107 1 6 6 9 124.512 2.20262 2 6 6 9 191.104 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102.453 2.40782 1 -4 7 10 71.9038 1.79153 2 -3 7 10 46.1231 1.50663 1 -3 7 10 31.7705 1.15443 2 8 7 0 190.243 4.25907 -2 -2 7 10 190.243 4.25907 1 -1 7 10 54.2412 1.98171 2 -1 7 10 81.2700 2.04170 1 0 7 10 1.91742 0.37616 1 0 7 10 3.18816 0.81401 2 1 7 10 62.1426 1.67442 1 1 7 10 42.1586 1.15984 2 7 7 5 173.358 3.65342 -2 2 7 10 173.358 3.65342 1 3 7 10 191.305 4.97393 1 7 7 6 301.698 8.53830 -2 3 7 10 301.698 8.53830 1 3 7 10 135.155 5.19530 2 4 7 10 13.6205 0.63841 2 4 7 10 20.5986 0.93195 1 5 7 10 59.5144 1.74624 1 5 7 10 39.7499 1.08976 2 6 7 10 24.8787 1.16744 -2 6 7 10 24.8787 1.16744 1 6 7 11 26.9949 1.48331 -2 7 7 10 26.9949 1.48331 1 -9 8 5 34.8340 2.09659 -2 -6 8 10 34.8340 2.09659 1 -5 8 10 26.2082 1.11437 1 -5 8 10 16.7292 0.66954 2 -4 8 10 231.904 6.32630 1 -4 8 10 159.479 3.25711 2 -3 8 10 85.9393 1.95249 2 -3 8 10 129.039 2.96134 1 8 8 0 337.194 6.99469 -2 -2 8 10 337.194 6.99469 1 -1 8 10 80.2844 2.29285 1 -1 8 10 51.8279 2.14504 2 0 8 10 738.436 13.1801 1 0 8 10 497.096 9.02917 2 1 8 10 65.3898 1.87977 1 1 8 10 45.7897 1.45534 2 7 8 5 92.2627 2.42511 -2 2 8 10 92.2627 2.42511 1 7 8 6 251.077 7.21394 -2 3 8 10 251.077 7.21394 1 3 8 10 32.0014 3.90615 2 3 8 10 221.324 6.09641 1 4 8 10 360.772 6.97243 1 4 8 10 243.298 4.83034 2 5 8 10 4.04983 0.40751 2 5 8 10 5.62454 0.51910 1 -3 9 10 29.0610 1.76460 1 -3 9 10 15.1976 1.62343 2 8 9 0 144.210 4.56859 -2 -2 9 10 144.210 4.56859 1 -1 9 10 18.1991 1.07474 2 -1 9 10 28.9201 1.67239 1 0 9 10 90.8014 3.07066 2 0 9 10 136.428 4.53836 1 1 9 10 10.2553 1.26654 2 1 9 10 16.6561 1.26820 1 7 9 5 79.9829 2.94252 -2 2 9 10 79.9829 2.94252 1 3 9 10 2.33326 0.76427 2 7 9 6 64.3224 3.44200 -2 3 9 10 64.3224 3.44200 1 -10 0 11 0.51733 0.69736 1 -10 0 11 1.06606 1.09243 2 -9 0 11 44.9633 1.81766 2 -9 0 11 70.1906 2.30066 1 -8 0 11 0.67491 0.39267 1 -8 0 11 0.89463 0.43993 2 -10 0 6 8.33465 0.76283 -2 -7 0 11 8.33465 0.76283 1 -6 0 11 1.06397 0.30120 2 -6 0 11 1.14632 0.32574 1 -5 0 11 58.0954 1.40712 1 -5 0 11 38.4615 1.09618 2 -4 0 11 1.53911 0.30273 2 -4 0 11 1.18267 0.28555 1 -9 0 1 107.132 2.10675 -2 -3 0 11 107.132 2.10675 1 -2 0 11 1.43823 0.32670 2 -2 0 11 1.79245 0.37468 1 -1 0 11 77.9087 1.79548 1 -1 0 11 53.9889 1.42767 2 0 0 11 0.93437 0.30118 2 0 0 11 0.96811 0.32031 1 8 0 4 309.101 5.34483 -2 1 0 11 309.101 5.34483 1 2 0 11 2.25119 0.29792 1 2 0 11 0.47920 0.47634 2 3 0 11 233.961 4.04603 1 3 0 11 153.674 3.12710 2 4 0 11 2.04149 0.33730 1 4 0 11 0.60898 0.27582 2 7 0 9 7.31224 0.77074 -2 5 0 11 7.31224 0.77074 1 6 0 11 1.16007 0.87504 1 7 0 11 66.4908 2.04418 1 7 0 11 50.0842 1.70359 2 8 0 11 0.18758 0.39778 2 8 0 11 0.51623 0.48467 1 6 0 14 148.089 5.16022 -2 9 0 11 148.089 5.16022 1 10 0 11 0.34566 1.63328 1 -10 1 11 841.631 13.0547 1 -10 1 11 541.978 11.8336 2 -9 1 11 52.8936 1.48350 2 -9 1 11 80.0335 1.92253 1 -8 1 11 113.630 2.24603 1 -8 1 11 75.7152 1.64200 2 -10 1 6 47.0834 1.28210 -2 -7 1 11 47.0834 1.28210 1 -6 1 11 1257.42 13.1607 2 -6 1 11 1910.76 18.9232 1 -5 1 11 2.40206 0.24655 2 -5 1 11 3.60193 0.29660 1 -4 1 11 78.8532 1.19806 1 -4 1 11 52.4061 0.95356 2 -9 1 1 225.894 2.68136 -2 -3 1 11 225.894 2.68136 1 -2 1 11 1609.49 15.5087 2 -2 1 11 2523.32 19.8978 1 -1 1 11 21.7828 0.56564 1 -1 1 11 14.5612 0.54646 2 0 1 11 377.349 3.80383 1 0 1 11 242.758 2.87990 2 8 1 4 163.842 2.19487 -2 1 1 11 163.842 2.19487 1 2 1 11 785.865 10.7376 2 2 1 11 1226.42 11.3913 1 3 1 11 117.555 1.56329 1 3 1 11 78.4829 1.26487 2 4 1 11 46.8659 0.89515 1 4 1 11 31.3476 0.73258 2 7 1 9 30.7281 0.85313 -2 5 1 11 30.7281 0.85313 1 7 1 10 1328.95 16.7380 -2 6 1 11 1328.95 16.7380 1 6 1 11 1157.79 43.3537 1 7 1 11 0.91853 0.27988 2 7 1 11 1.96034 0.30711 1 8 1 11 117.138 3.07317 2 8 1 11 171.871 4.06522 1 6 1 14 198.463 5.27829 -2 9 1 11 198.463 5.27829 1 -10 2 11 175.302 3.71122 2 -10 2 11 275.230 6.56680 1 -9 2 11 4.98935 0.44848 1 -9 2 11 2.96720 0.39694 2 -8 2 11 63.7633 1.50776 2 -8 2 11 103.569 2.32242 1 -10 2 6 213.365 3.24225 -2 -7 2 11 213.365 3.24225 1 -6 2 11 96.5499 1.50200 2 -6 2 11 148.330 1.84667 1 -5 2 11 1.59373 0.23163 1 -5 2 11 1.57482 0.19110 2 -4 2 11 2.37766 0.24229 1 -4 2 11 1.35322 0.19930 2 -9 2 1 68.7215 1.16378 -2 -3 2 11 68.7215 1.16378 1 -2 2 11 163.945 2.03226 1 -2 2 11 106.353 1.54518 2 -1 2 11 4.91173 0.53080 1 -1 2 11 2.12667 0.25229 2 0 2 11 66.4761 1.14230 2 0 2 11 104.786 1.45088 1 8 2 4 713.561 7.57551 -2 1 2 11 713.561 7.57551 1 2 2 11 61.4347 1.09737 1 8 2 5 59.9841 3.05542 -2 2 2 11 59.9841 3.05542 1 2 2 11 38.7226 1.06661 2 3 2 11 22.8176 0.62600 1 3 2 11 13.9583 0.46883 2 4 2 11 3.22391 0.26520 1 4 2 11 1.63980 0.22055 2 7 2 9 63.3514 1.33259 -2 5 2 11 63.3514 1.33259 1 7 2 10 249.788 3.81674 -2 6 2 11 249.788 3.81674 1 7 2 11 28.6945 0.90258 1 7 2 11 19.4303 0.73698 2 8 2 11 25.6172 1.03479 2 8 2 11 38.0562 1.28720 1 6 2 13 4.91910 1.59524 -2 8 2 11 4.91910 1.59524 1 6 2 14 80.4386 2.57560 -2 9 2 11 80.4386 2.57560 1 -9 3 11 43.4663 1.22839 2 -9 3 11 64.2531 1.47103 1 -8 3 11 436.300 7.61630 1 -8 3 11 287.771 4.68460 2 -10 3 6 76.5004 1.45764 -2 -7 3 11 76.5004 1.45764 1 -6 3 11 178.727 2.20044 1 -6 3 11 116.074 1.74550 2 -5 3 11 1.77146 0.23077 2 -5 3 11 1.97707 0.29403 1 -4 3 11 397.359 4.40226 1 -4 3 11 256.826 2.59480 2 -9 3 1 558.079 5.93584 -2 -3 3 11 558.079 5.93584 1 -2 3 11 2.24364 0.26761 1 -2 3 11 1.20333 0.23216 2 -1 3 11 20.5410 0.55446 1 -1 3 11 12.5935 0.46147 2 0 3 11 241.493 2.66867 2 0 3 11 378.025 3.66035 1 8 3 4 71.0759 1.23116 -2 1 3 11 71.0759 1.23116 1 8 3 5 393.726 12.7464 -2 2 3 11 393.726 12.7464 1 2 3 11 25.2481 0.66498 1 2 3 11 17.1925 0.61505 2 3 3 11 84.3224 1.22770 2 3 3 11 128.414 1.59121 1 4 3 11 151.338 2.00406 1 4 3 11 102.246 1.50177 2 7 3 9 99.0371 1.86504 -2 5 3 11 99.0371 1.86504 1 7 3 10 101.949 2.33036 -2 6 3 11 101.949 2.33036 1 6 3 11 63.2972 3.58465 2 6 3 11 85.1503 8.81652 1 7 3 11 3.26843 0.37696 2 7 3 11 4.00063 0.43243 1 8 3 11 130.653 3.07765 1 8 3 11 84.4169 2.06480 2 6 3 14 188.336 4.48769 -2 9 3 11 188.336 4.48769 1 -9 4 11 13.8627 0.69769 1 -9 4 11 8.01135 0.48131 2 -8 4 11 20.7767 0.72594 2 -8 4 11 31.7674 1.29212 1 -10 4 6 1086.64 16.3091 -2 -7 4 11 1086.64 16.3091 1 -6 4 11 27.1973 0.72163 2 -6 4 11 43.2016 0.89639 1 -5 4 11 49.1417 0.88673 2 -5 4 11 73.9819 1.15827 1 -4 4 11 9.77262 0.48901 1 -4 4 11 6.45347 0.39040 2 -9 4 1 125.251 1.85591 -2 -3 4 11 125.251 1.85591 1 -2 4 11 19.1359 0.61772 2 -2 4 11 31.1312 0.73863 1 -1 4 11 1.82197 0.23994 2 -1 4 11 2.72807 0.29096 1 0 4 11 16.8871 0.57686 2 0 4 11 24.6811 0.65682 1 8 4 4 374.803 4.35584 -2 1 4 11 374.803 4.35584 1 2 4 11 42.1296 1.07949 2 2 4 11 60.4581 1.10112 1 8 4 5 150.494 8.53696 -2 2 4 11 150.494 8.53696 1 3 4 11 111.953 1.65139 1 3 4 11 74.3141 1.24454 2 4 4 11 1.82072 0.23355 2 4 4 11 2.20578 0.28085 1 7 4 9 290.525 4.46980 -2 5 4 11 290.525 4.46980 1 6 4 11 0.11929 2.15835 2 7 4 10 71.6983 1.69317 -2 6 4 11 71.6983 1.69317 1 6 4 11 0.33929 1.55965 1 7 4 11 117.689 2.34230 1 7 4 11 81.1722 1.81197 2 6 4 13 77.8751 5.37709 -2 8 4 11 77.8751 5.37709 1 8 4 11 22.8114 1.28082 1 8 4 11 15.6548 0.99836 2 6 4 14 71.6891 2.80286 -2 9 4 11 71.6891 2.80286 1 -8 5 11 1021.53 25.8342 1 -8 5 11 659.726 18.1426 2 -10 5 6 206.617 4.23127 -2 -7 5 11 206.617 4.23127 1 -6 5 11 80.1979 1.75506 2 -6 5 11 122.334 2.37684 1 -5 5 11 77.9705 1.55584 2 -5 5 11 117.390 2.13369 1 -4 5 11 819.143 10.7997 2 -4 5 11 1234.60 14.1927 1 -9 5 1 249.012 3.45734 -2 -3 5 11 249.012 3.45734 1 -2 5 11 5.59121 0.43260 2 -2 5 11 8.04950 0.46335 1 -1 5 11 75.8451 1.29390 1 -1 5 11 47.8301 1.14222 2 0 5 11 1077.44 12.5774 2 0 5 11 1669.84 15.9296 1 8 5 4 174.247 2.24518 -2 1 5 11 174.247 2.24518 1 1 5 11 44.2831 2.98579 2 8 5 5 669.058 20.6256 -2 2 5 11 669.058 20.6256 1 2 5 11 170.926 2.30722 1 2 5 11 114.863 2.27272 2 3 5 11 128.052 1.70751 1 3 5 11 83.2661 1.41021 2 4 5 11 1621.95 17.1140 1 4 5 11 1133.27 16.7606 2 7 5 9 185.893 3.87956 -2 5 5 11 185.893 3.87956 1 7 5 10 283.409 5.98144 -2 6 5 11 283.409 5.98144 1 7 5 11 260.246 4.49134 1 7 5 11 171.123 3.80837 2 8 5 11 419.212 9.11590 2 8 5 11 679.120 14.4205 1 -8 6 11 1.53482 0.52070 1 -8 6 11 1.42341 0.43252 2 -10 6 6 226.555 5.11749 -2 -7 6 11 226.555 5.11749 1 -6 6 11 41.7472 1.37845 1 -6 6 11 26.3419 1.03270 2 -5 6 11 1.19996 0.27239 2 -5 6 11 1.16065 0.26753 1 -4 6 11 18.5501 0.81532 1 -4 6 11 11.8469 0.59184 2 -9 6 1 149.073 3.15038 -2 -3 6 11 149.073 3.15038 1 -2 6 11 7.83823 0.66490 2 -2 6 11 12.0302 0.71425 1 -1 6 11 196.372 3.27651 1 -1 6 11 131.754 3.17420 2 0 6 11 1.78762 0.31059 1 0 6 11 1.01112 0.26713 2 8 6 4 531.622 8.01663 -2 1 6 11 531.622 8.01663 1 2 6 11 7.57258 0.60272 1 2 6 11 5.15950 0.54844 2 8 6 5 13.1969 2.02932 -2 2 6 11 13.1969 2.02932 1 3 6 11 71.0434 1.60904 2 3 6 11 101.003 1.90469 1 4 6 11 19.0108 0.73031 2 4 6 11 27.2056 0.89829 1 7 6 9 7.27167 0.60067 -2 5 6 11 7.27167 0.60067 1 7 6 10 154.986 3.39684 -2 6 6 11 154.986 3.39684 1 7 6 11 22.8231 0.94407 1 7 6 11 15.6346 0.66723 2 -6 7 11 1.14987 0.19772 2 -6 7 11 1.57996 0.32655 1 -5 7 11 8.96547 0.62964 1 -5 7 11 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64.8432 1.74015 1 -2 0 13 0.72712 0.34134 2 -2 0 13 6.80511 1.17142 1 10 0 2 1372.28 20.9353 -2 -1 0 13 1372.28 20.9353 1 0 0 13 1.51614 0.40064 1 0 0 13 2.46516 0.62164 2 1 0 13 183.296 4.04456 2 1 0 13 275.304 4.85083 1 2 0 13 1.29775 0.43743 1 2 0 13 1.97700 0.47363 2 9 0 7 53.8595 1.88955 -2 3 0 13 53.8595 1.88955 1 4 0 13 1.25528 0.61177 1 5 0 13 231.602 5.01425 1 5 0 13 162.958 3.83718 2 6 0 13 1.09442 0.48691 1 6 0 13 0.72801 0.48176 2 8 0 12 170.870 5.69842 -2 7 0 13 170.870 5.69842 1 8 0 13 1.78246 1.45532 1 -8 1 13 43.7932 1.60864 2 -8 1 13 62.5632 1.96697 1 -7 1 13 108.701 2.53458 1 -7 1 13 71.1391 1.94211 2 -6 1 13 57.9313 1.45791 2 -6 1 13 90.0884 2.01703 1 -11 1 3 138.600 2.32379 -2 -5 1 13 138.600 2.32379 1 -4 1 13 261.231 3.10581 1 -4 1 13 167.858 2.27340 2 -3 1 13 41.6738 0.90282 2 -3 1 13 63.0953 1.14139 1 -2 1 13 156.669 2.22496 2 -2 1 13 245.376 2.94961 1 10 1 2 119.567 1.77379 -2 -1 1 13 119.567 1.77379 1 0 1 13 349.811 4.12373 1 10 1 3 907.604 26.5397 -2 0 1 13 907.604 26.5397 1 0 1 13 216.780 3.55148 2 1 1 13 67.2418 1.37204 2 1 1 13 99.5152 1.48127 1 2 1 13 7.00454 0.50983 2 2 1 13 10.4354 0.52059 1 9 1 7 193.365 2.61041 -2 3 1 13 193.365 2.61041 1 9 1 8 659.985 11.1403 -2 4 1 13 659.985 11.1403 1 4 1 13 393.313 17.3472 2 4 1 13 643.795 15.7343 1 5 1 13 141.737 2.54913 1 5 1 13 95.4634 1.85965 2 6 1 13 1.97079 0.39539 1 6 1 13 1.24245 0.43046 2 8 1 12 79.4024 2.65112 -2 7 1 13 79.4024 2.65112 1 8 1 13 596.349 22.6805 -2 8 1 13 596.349 22.6805 1 -8 2 13 156.416 2.99888 2 -8 2 13 235.684 4.77827 1 -7 2 13 24.3529 1.00795 2 -7 2 13 35.6220 1.13500 1 -6 2 13 272.328 5.19386 2 -6 2 13 418.611 7.58268 1 -11 2 3 7.96886 0.49113 -2 -5 2 13 7.96886 0.49113 1 -4 2 13 357.574 4.72813 1 -4 2 13 238.806 3.58983 2 -3 2 13 17.6419 0.60926 2 -3 2 13 27.6687 0.74496 1 -2 2 13 322.718 4.02200 2 -2 2 13 502.770 5.62860 1 10 2 2 436.358 5.79409 -2 -1 2 13 436.358 5.79409 1 0 2 13 372.380 4.32713 1 0 2 13 232.932 4.08486 2 1 2 13 180.122 2.39932 1 1 2 13 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376.606 4.57415 1 2 3 13 241.236 4.06110 2 9 3 7 231.927 3.66572 -2 3 3 13 231.927 3.66572 1 4 3 13 116.011 8.16201 1 9 3 8 144.052 2.84762 -2 4 3 13 144.052 2.84762 1 4 3 13 83.4757 4.00493 2 5 3 13 160.768 3.74588 1 5 3 13 115.501 2.79468 2 6 3 13 63.9198 1.73996 1 6 3 13 44.4946 1.32156 2 8 3 12 31.9950 1.34826 -2 7 3 13 31.9950 1.34826 1 -7 4 13 4.77571 0.44843 1 -7 4 13 3.13534 0.36210 2 -6 4 13 47.3940 1.23799 2 -6 4 13 72.8924 2.17909 1 -11 4 3 84.1582 1.89609 -2 -5 4 13 84.1582 1.89609 1 -4 4 13 159.712 2.90418 2 -4 4 13 245.397 3.59926 1 -3 4 13 1.20070 0.23364 2 -3 4 13 1.70206 0.29752 1 -2 4 13 359.892 4.98662 2 -2 4 13 553.492 6.68932 1 10 4 2 6.65721 0.57679 -2 -1 4 13 6.65721 0.57679 1 0 4 13 275.677 4.60518 2 0 4 13 413.829 5.47258 1 1 4 13 21.3124 0.77479 1 1 4 13 13.9620 0.68525 2 2 4 13 175.438 3.16391 2 2 4 13 273.544 3.83565 1 9 4 7 116.763 2.19732 -2 3 4 13 116.763 2.19732 1 9 4 8 354.824 6.00565 -2 4 4 13 354.824 6.00565 1 4 4 13 97.1035 3.06221 2 4 4 13 131.654 8.77704 1 5 4 13 11.3598 0.51460 2 5 4 13 16.0716 0.70825 1 6 4 13 74.6125 2.09138 1 6 4 13 50.3294 1.92184 2 8 4 12 129.268 3.52358 -2 7 4 13 129.268 3.52358 1 -7 5 13 0.66537 0.38967 1 -6 5 13 385.884 8.22314 1 -6 5 13 254.046 5.97192 2 -11 5 3 16.4050 0.77680 -2 -5 5 13 16.4050 0.77680 1 -4 5 13 65.6590 1.70022 2 -4 5 13 102.880 2.29536 1 -3 5 13 0.84421 0.21427 2 -3 5 13 1.58801 0.31982 1 -2 5 13 351.638 6.15642 1 -2 5 13 241.734 4.00445 2 10 5 2 51.5419 1.84029 -2 -1 5 13 51.5419 1.84029 1 0 5 13 314.042 5.10081 1 0 5 13 200.614 3.55313 2 1 5 13 3.12132 0.39699 2 1 5 13 4.68044 0.53623 1 2 5 13 588.380 9.48510 2 2 5 13 909.463 13.8828 1 9 5 7 204.493 3.94217 -2 3 5 13 204.493 3.94217 1 9 5 8 125.498 2.64603 -2 4 5 13 125.498 2.64603 1 4 5 13 8.79697 2.07228 1 5 5 13 12.2329 0.58340 2 5 5 13 18.5381 0.78911 1 6 5 13 318.807 7.17473 1 6 5 13 220.180 5.11952 2 -11 6 3 189.271 5.16784 -2 -5 6 13 189.271 5.16784 1 -4 6 13 1.12574 0.30046 2 -4 6 13 1.95775 0.35889 1 -3 6 13 137.243 2.74157 1 -3 6 13 92.0824 2.13609 2 -2 6 13 2.12979 0.25736 2 -2 6 13 2.81739 0.36025 1 10 6 2 118.128 2.40806 -2 -1 6 13 118.128 2.40806 1 0 6 13 9.75911 0.63632 2 0 6 13 13.3796 0.66698 1 1 6 13 82.2868 1.62174 2 1 6 13 122.482 2.53550 1 2 6 13 20.6254 0.80074 1 2 6 13 14.2861 0.66933 2 9 6 7 144.723 3.25612 -2 3 6 13 144.723 3.25612 1 9 6 8 68.6702 1.78093 -2 4 6 13 68.6702 1.78093 1 5 6 13 61.4103 1.78366 2 5 6 13 92.2903 3.16195 1 -4 7 13 134.756 4.38741 2 -3 7 13 178.474 3.66648 1 -3 7 13 124.369 2.81820 2 -2 7 13 35.7430 1.17318 1 -2 7 13 25.7751 0.84621 2 10 7 2 118.832 2.66249 -2 -1 7 13 118.832 2.66249 1 10 7 3 122.054 5.70542 -2 0 7 13 122.054 5.70542 1 0 7 13 127.342 2.96217 1 0 7 13 86.0638 2.52026 2 1 7 13 116.052 2.54565 1 1 7 13 84.3668 1.84760 2 2 7 13 11.7192 0.62692 2 2 7 13 17.4297 1.01032 1 9 7 7 76.6218 3.99465 -2 3 7 13 76.6218 3.99465 1 -7 0 14 1.12788 0.39048 2 -7 0 14 0.75332 0.42446 1 -12 0 4 397.862 16.3509 -2 -6 0 14 397.862 16.3509 1 -5 0 14 0.49949 0.27566 2 -5 0 14 0.99334 0.51589 1 -4 0 14 55.7350 1.71248 2 -4 0 14 82.4722 2.49677 1 -3 0 14 1.97742 0.41153 2 -3 0 14 0.97456 0.41917 1 11 0 1 1655.28 32.6894 -2 -2 0 14 1655.28 32.6894 1 -1 0 14 2.35462 0.65740 2 -1 0 14 1.68952 0.55145 1 0 0 14 64.4165 1.86226 1 0 0 14 42.3230 1.56378 2 1 0 14 1.53381 0.45651 1 1 0 14 0.36058 0.46350 2 10 0 6 421.638 8.63671 -2 2 0 14 421.638 8.63671 1 3 0 14 1.38865 0.72649 1 3 0 14 1.47192 0.66457 2 4 0 14 336.950 7.61330 1 4 0 14 229.110 5.68380 2 5 0 14 0.83975 0.47557 2 5 0 14 0.23303 0.44284 1 9 0 11 143.247 4.95771 -2 6 0 14 143.247 4.95771 1 7 0 14 0.69373 1.36580 1 -8 1 14 6.74096 1.21460 1 -7 1 14 175.011 3.64339 2 -7 1 14 281.864 6.45483 1 -12 1 4 66.5545 1.90244 -2 -6 1 14 66.5545 1.90244 1 -5 1 14 14.3381 0.58448 2 -5 1 14 24.2013 1.03520 1 -4 1 14 27.4138 0.80003 2 -4 1 14 40.1670 1.22020 1 -3 1 14 20.2091 0.74344 2 -3 1 14 30.9329 0.82994 1 11 1 1 163.700 2.45061 -2 -2 1 14 163.700 2.45061 1 -1 1 14 15.8452 0.78094 1 -1 1 14 11.0773 0.68807 2 11 1 2 152.176 6.82875 -2 -1 1 14 152.176 6.82875 1 0 1 14 75.6337 1.58046 2 0 1 14 120.089 1.96507 1 1 1 14 82.7631 1.59161 1 1 1 14 53.6539 1.36475 2 10 1 6 62.7423 1.51181 -2 2 1 14 62.7423 1.51181 1 10 1 7 21.8196 1.56760 -2 3 1 14 21.8196 1.56760 1 3 1 14 19.6008 1.19118 1 3 1 14 9.27740 0.96383 2 4 1 14 109.857 2.40329 1 4 1 14 75.1670 2.13957 2 5 1 14 2.79836 1.01430 1 5 1 14 0.24398 0.35395 2 9 1 11 291.724 7.17788 -2 6 1 14 291.724 7.17788 1 9 1 12 180.026 7.74142 -2 7 1 14 180.026 7.74142 1 -7 2 14 178.589 3.71678 1 -7 2 14 118.155 2.17737 2 -12 2 4 223.715 4.91376 -2 -6 2 14 223.715 4.91376 1 -5 2 14 541.739 9.03758 1 -5 2 14 352.544 6.16386 2 -4 2 14 76.4549 1.72808 1 -4 2 14 48.9019 1.20331 2 -3 2 14 110.650 1.93869 2 -3 2 14 166.701 2.79710 1 11 2 1 271.872 3.90995 -2 -2 2 14 271.872 3.90995 1 -1 2 14 505.708 6.77853 1 -1 2 14 331.729 5.28911 2 11 2 2 525.522 23.0502 -2 -1 2 14 525.522 23.0502 1 0 2 14 405.660 5.94225 2 0 2 14 610.356 7.99153 1 1 2 14 319.912 4.56708 1 1 2 14 205.160 3.43219 2 10 2 6 73.9253 1.69233 -2 2 2 14 73.9253 1.69233 1 3 2 14 185.825 7.08486 1 10 2 7 188.164 4.19712 -2 3 2 14 188.164 4.19712 1 4 2 14 147.295 3.60155 2 4 2 14 217.590 4.30525 1 5 2 14 69.7845 2.04061 1 5 2 14 47.0573 1.72525 2 9 2 11 104.164 2.82553 -2 6 2 14 104.164 2.82553 1 -7 3 14 10.7118 0.75616 1 -7 3 14 7.27246 0.49733 2 -12 3 4 354.924 5.82120 -2 -6 3 14 354.924 5.82120 1 -5 3 14 108.935 2.42733 2 -5 3 14 166.459 3.02994 1 -4 3 14 249.524 4.43711 2 -4 3 14 377.175 6.05569 1 -3 3 14 72.8345 1.72353 2 -3 3 14 110.221 2.24631 1 11 3 1 582.401 9.24347 -2 -2 3 14 582.401 9.24347 1 -1 3 14 1.44766 0.29912 2 -1 3 14 3.51666 0.39435 1 0 3 14 87.9665 1.79575 1 0 3 14 57.9800 1.42479 2 1 3 14 3.01812 0.41245 1 1 3 14 2.30061 0.38503 2 10 3 6 383.728 6.81086 -2 2 3 14 383.728 6.81086 1 3 3 14 12.6300 2.89174 1 10 3 7 150.767 4.49406 -2 3 3 14 150.767 4.49406 1 3 3 14 9.26696 1.56718 2 4 3 14 242.477 4.88378 2 4 3 14 367.668 6.15361 1 5 3 14 14.7086 0.75065 2 5 3 14 20.7287 0.83186 1 9 3 11 201.069 4.87829 -2 6 3 14 201.069 4.87829 1 -12 4 4 448.475 11.7658 -2 -6 4 14 448.475 11.7658 1 -5 4 14 28.5121 0.81122 2 -5 4 14 42.7112 1.44368 1 -4 4 14 376.212 6.30767 2 -4 4 14 567.013 9.75048 1 -3 4 14 393.750 6.00687 1 -3 4 14 262.637 4.70444 2 11 4 1 299.573 5.79889 -2 -2 4 14 299.573 5.79889 1 -1 4 14 232.552 3.97222 2 -1 4 14 350.946 5.28860 1 0 4 14 626.186 8.89445 1 0 4 14 422.074 5.90029 2 1 4 14 121.320 2.47007 1 1 4 14 81.3266 1.60356 2 10 4 6 315.757 5.70277 -2 2 4 14 315.757 5.70277 1 3 4 14 77.6282 2.22738 2 10 4 7 120.828 2.56163 -2 3 4 14 120.828 2.56163 1 3 4 14 110.236 6.43642 1 4 4 14 264.145 4.78540 1 4 4 14 176.464 3.69060 2 5 4 14 26.1893 1.20390 1 5 4 14 18.0664 0.95076 2 9 4 11 90.1449 3.24979 -2 6 4 14 90.1449 3.24979 1 -5 5 14 16.9023 1.03257 2 -5 5 14 26.7403 1.17581 1 -4 5 14 64.4806 1.93189 2 -4 5 14 93.8933 2.21582 1 -3 5 14 2.58137 0.39049 1 -3 5 14 2.01471 0.34860 2 11 5 1 84.0141 2.48335 -2 -2 5 14 84.0141 2.48335 1 -1 5 14 149.909 2.96142 1 -1 5 14 97.7792 2.09729 2 0 5 14 25.4346 0.91341 1 0 5 14 17.8799 0.69709 2 1 5 14 2.54418 0.34910 1 1 5 14 1.81724 0.30765 2 10 5 6 67.6832 1.88919 -2 2 5 14 67.6832 1.88919 1 3 5 14 11.5028 1.42431 2 10 5 7 361.977 6.68929 -2 3 5 14 361.977 6.68929 1 4 5 14 2.36241 0.40569 1 4 5 14 1.75098 0.30846 2 5 5 14 39.8849 2.26928 2 5 5 14 53.8170 3.11909 1 -4 6 14 56.2644 1.72151 2 -4 6 14 85.9161 3.89734 1 -3 6 14 1.21247 0.32123 2 -3 6 14 2.89475 0.50910 1 11 6 1 618.077 16.0249 -2 -2 6 14 618.077 16.0249 1 -1 6 14 37.6738 1.51035 2 -1 6 14 54.3246 1.88117 1 0 6 14 251.410 5.08779 1 0 6 14 160.677 3.60703 2 1 6 14 72.6093 1.88960 1 1 6 14 49.7861 1.49555 2 10 6 6 244.327 6.91931 -2 2 6 14 244.327 6.91931 1 10 6 7 82.3234 4.10112 -2 3 6 14 82.3234 4.10112 1 3 6 14 51.0490 2.64699 2 -6 0 15 1.40292 0.42231 1 -5 0 15 169.695 5.35492 2 -5 0 15 266.741 7.96885 1 -4 0 15 0.85516 0.38295 1 -4 0 15 0.58899 0.27437 2 12 0 0 1157.90 32.2508 -2 -3 0 15 1157.90 32.2508 1 -2 0 15 1.72714 0.46434 1 -2 0 15 0.65498 0.49239 2 -1 0 15 321.238 7.14448 1 -1 0 15 226.812 6.28430 2 0 0 15 1.10190 0.43958 1 0 0 15 0.34949 0.42177 2 11 0 5 384.547 8.72772 -2 1 0 15 384.547 8.72772 1 2 0 15 0.75790 0.62980 1 2 0 15 0.62622 0.75808 2 3 0 15 18.3564 1.60512 1 3 0 15 12.2270 1.22893 2 4 0 15 0.89794 0.44247 1 4 0 15 0.88035 0.51746 2 10 0 10 214.484 5.92440 -2 5 0 15 214.484 5.92440 1 -6 1 15 2.52799 0.59085 2 -6 1 15 3.04484 0.52909 1 -5 1 15 62.9305 2.00952 1 -5 1 15 20.0582 1.80410 2 -4 1 15 222.448 3.52343 2 -4 1 15 351.098 6.95705 1 12 1 0 38.4840 1.48982 -2 -3 1 15 38.4840 1.48982 1 -2 1 15 207.298 3.73999 2 -2 1 15 305.356 6.12746 1 -1 1 15 91.1888 1.85227 2 -1 1 15 134.600 2.86430 1 0 1 15 512.491 8.50481 1 0 1 15 341.809 5.14468 2 11 1 5 54.0710 1.91513 -2 1 1 15 54.0710 1.91513 1 11 1 6 309.414 10.8722 -2 2 1 15 309.414 10.8722 1 2 1 15 24.3909 1.78623 2 2 1 15 39.4591 1.88790 1 3 1 15 123.729 2.59859 1 3 1 15 86.1600 2.95826 2 4 1 15 381.827 7.13944 1 4 1 15 267.050 6.26652 2 10 1 10 199.288 5.00925 -2 5 1 15 199.288 5.00925 1 -6 2 15 78.1374 1.88498 2 -6 2 15 123.537 3.58098 1 -5 2 15 67.6638 1.88302 1 -5 2 15 43.3827 1.19290 2 -4 2 15 136.103 2.56412 2 -4 2 15 210.129 4.70452 1 12 2 0 191.078 4.33066 -2 -3 2 15 191.078 4.33066 1 -2 2 15 13.5833 0.65879 2 -2 2 15 22.0406 0.97211 1 -1 2 15 15.5074 0.79143 2 -1 2 15 23.8411 0.87907 1 0 2 15 102.181 2.19269 1 0 2 15 65.0656 1.84110 2 11 2 5 63.5171 1.82932 -2 1 2 15 63.5171 1.82932 1 11 2 6 114.224 4.17470 -2 2 2 15 114.224 4.17470 1 2 2 15 71.0087 2.97080 1 3 2 15 41.3410 1.55519 1 3 2 15 25.7709 1.39094 2 4 2 15 101.498 2.86077 1 4 2 15 69.1071 2.19554 2 10 2 10 182.137 4.91636 -2 5 2 15 182.137 4.91636 1 -6 3 15 34.7305 1.91365 2 -5 3 15 163.553 3.13496 1 -5 3 15 115.283 2.67633 2 -4 3 15 228.109 4.16489 1 -4 3 15 147.794 2.59977 2 12 3 0 234.023 4.29737 -2 -3 3 15 234.023 4.29737 1 -2 3 15 69.1962 1.57655 1 -2 3 15 45.5960 1.19640 2 -1 3 15 266.234 4.40908 2 -1 3 15 388.095 6.04689 1 0 3 15 113.479 2.32753 1 0 3 15 77.9015 1.78185 2 11 3 5 268.900 5.57763 -2 1 3 15 268.900 5.57763 1 11 3 6 95.8607 3.23143 -2 2 3 15 95.8607 3.23143 1 2 3 15 74.7124 2.43468 1 2 3 15 49.6545 3.26287 2 3 3 15 225.828 3.90866 2 3 3 15 345.893 5.67805 1 4 3 15 234.239 4.09197 2 4 3 15 348.666 6.39996 1 10 3 10 322.708 8.53514 -2 5 3 15 322.708 8.53514 1 -5 4 15 153.922 6.80030 1 -4 4 15 22.8496 0.59669 2 -4 4 15 34.9468 1.26373 1 12 4 0 69.1934 2.62121 -2 -3 4 15 69.1934 2.62121 1 -3 4 15 37.0581 1.84905 1 -2 4 15 36.6222 1.11413 2 -2 4 15 54.3107 1.53797 1 -1 4 15 214.520 4.59572 1 -1 4 15 147.356 2.64916 2 0 4 15 6.70439 0.50806 1 0 4 15 6.53256 0.46867 2 11 4 5 86.0233 3.00656 -2 1 4 15 86.0233 3.00656 1 11 4 6 24.4730 1.48609 -2 2 4 15 24.4730 1.48609 1 2 4 15 1.25230 0.36509 2 2 4 15 3.21162 0.96264 1 3 4 15 175.144 3.82520 2 3 4 15 252.254 5.73316 1 4 4 15 1.20995 0.38712 1 4 4 15 0.73989 0.37205 2 12 5 0 113.971 5.04278 -2 -3 5 15 113.971 5.04278 1 -2 5 15 355.451 7.79301 1 -2 5 15 248.161 4.99456 2 -1 5 15 4.22596 0.38902 2 -1 5 15 5.47383 0.51808 1 0 5 15 44.6536 1.24558 2 0 5 15 64.6462 1.78526 1 11 5 5 33.4923 1.62451 -2 1 5 15 33.4923 1.62451 1 2 5 15 89.6750 2.49411 2 11 5 6 288.609 11.1031 -2 2 5 15 288.609 11.1031 1 2 5 15 122.203 5.88456 1 3 5 15 5.20173 1.01590 1 3 5 15 5.88229 0.95399 2 -5 0 16 0.98493 0.82223 1 -13 0 1 1152.00 31.8552 -2 -4 0 16 1152.00 31.8552 1 -3 0 16 0.59163 0.42710 1 -3 0 16 0.84848 0.32968 2 -2 0 16 65.0220 1.99648 2 -2 0 16 94.0878 3.51701 1 -1 0 16 0.68618 0.35126 2 -1 0 16 0.66027 0.42659 1 12 0 4 1502.65 40.0711 -2 0 0 16 1502.65 40.0711 1 1 0 16 0.48094 0.42080 1 1 0 16 1.30622 0.57861 2 2 0 16 1.57846 0.60076 2 2 0 16 3.24389 0.67363 1 3 0 16 0.78614 0.45048 1 3 0 16 0.25736 0.41234 2 11 0 9 960.242 36.1130 -2 4 0 16 960.242 36.1130 1 -5 1 16 0.20161 0.61390 2 -5 1 16 7.82290 1.08575 1 -13 1 1 77.4216 2.80507 -2 -4 1 16 77.4216 2.80507 1 -3 1 16 25.2721 1.13723 1 -3 1 16 18.3520 0.89748 2 -2 1 16 0.83557 0.24928 2 -2 1 16 2.60408 0.43674 1 -1 1 16 2.78955 0.46773 1 -1 1 16 0.92882 0.28298 2 12 1 4 13.2071 1.02089 -2 0 1 16 13.2071 1.02089 1 0 1 16 0.07633 0.68213 2 1 1 16 230.780 4.66406 1 1 1 16 156.986 4.42832 2 2 1 16 35.9574 1.28402 1 2 1 16 25.6429 1.19575 2 3 1 16 92.5477 3.14867 1 11 1 9 68.9562 4.08109 -2 4 1 16 68.9562 4.08109 1 -13 2 1 195.167 5.83886 -2 -4 2 16 195.167 5.83886 1 -3 2 16 30.5674 1.04489 1 -3 2 16 20.9930 0.72430 2 -2 2 16 11.5047 0.61507 2 -2 2 16 17.6795 0.85759 1 -1 2 16 3.09250 0.40462 2 -1 2 16 4.51409 0.55514 1 12 2 4 189.315 4.48194 -2 0 2 16 189.315 4.48194 1 12 2 5 177.314 7.36997 -2 1 2 16 177.314 7.36997 1 1 2 16 9.82661 0.99352 1 1 2 16 5.70671 0.62250 2 2 2 16 0.92910 0.41591 2 2 2 16 1.50941 0.43927 1 3 2 16 7.83246 0.99254 1 3 2 16 4.91739 0.70819 2 -3 3 16 2.21702 0.30390 2 -3 3 16 2.88430 0.36333 1 -2 3 16 21.1205 0.73220 1 -2 3 16 15.0288 0.62496 2 -1 3 16 1.01949 0.23965 2 -1 3 16 1.19528 0.27448 1 12 3 4 246.591 5.04890 -2 0 3 16 246.591 5.04890 1 0 3 16 59.6727 3.98965 2 1 3 16 2.33456 0.27742 2 1 3 16 2.03406 0.36799 1 12 3 5 77.0134 3.33061 -2 1 3 16 77.0134 3.33061 1 2 3 16 14.3197 0.66973 2 2 3 16 23.6559 0.90557 1 3 3 16 27.3988 1.66977 1 3 3 16 20.5183 1.54460 2 -2 4 16 246.054 5.94716 2 -2 4 16 377.241 10.5671 1 -1 4 16 8.57493 0.43960 2 -1 4 16 13.2294 0.71167 1 12 4 4 29.2617 1.48764 -2 0 4 16 29.2617 1.48764 1 1 4 16 22.7709 1.01396 1 1 4 16 15.9401 0.69317 2 -2 0 17 0.18830 0.40035 2 0 0 17 0.55513 0.50438 2 -2 1 17 64.5451 2.54199 2 -2 1 17 101.386 5.00407 1 0 1 17 5.78771 0.63179 2 0 1 17 12.5136 1.41177 1 0 0 0 0.00 0.00 0 ; _shelx_hkl_checksum 78426 _diffrn_detector 'CCD plate' _diffrn_detector_type 'Bruker Apex2' _diffrn_measurement_device '\k-geometry diffractometer'