data_shelx _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 'C16 H26 Mn2 N2 O10' _chemical_formula_weight 516.27 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0015 0.0009 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mn' 'Mn' 0.2704 0.4681 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0030 0.0019 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0056 0.0036 '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' _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 12.2690(8) _cell_length_b 9.2890(7) _cell_length_c 21.0005(16) _cell_angle_alpha 90 _cell_angle_beta 92.724(2) _cell_angle_gamma 90 _cell_volume 2390.7(3) _cell_formula_units_Z 4 _cell_measurement_temperature 373(2) _cell_measurement_reflns_used 5681 _cell_measurement_theta_min 2.2815 _cell_measurement_theta_max 19.2675 _exptl_crystal_description block _exptl_crystal_colour ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.434 _exptl_crystal_F_000 1064 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_absorpt_coefficient_mu 0.576 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_absorpt_special_details ? _diffrn_ambient_temperature 373(2) _diffrn_radiation_wavelength 0.56086 _diffrn_radiation_type AgK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker D8 Venture' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 19549 _diffrn_reflns_av_unetI/netI 0.0465 _diffrn_reflns_av_R_equivalents 0.0595 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 2.281 _diffrn_reflns_theta_max 20.018 _diffrn_reflns_theta_full 19.665 _diffrn_measured_fraction_theta_max 0.801 _diffrn_measured_fraction_theta_full 0.835 _diffrn_reflns_Laue_measured_fraction_max 0.801 _diffrn_reflns_Laue_measured_fraction_full 0.835 _diffrn_reflns_point_group_measured_fraction_max 0.801 _diffrn_reflns_point_group_measured_fraction_full 0.835 _reflns_number_total 3645 _reflns_number_gt 2961 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+11.1408P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 3645 _refine_ls_number_parameters 292 _refine_ls_number_restraints 251 _refine_ls_R_factor_all 0.0707 _refine_ls_R_factor_gt 0.0532 _refine_ls_wR_factor_ref 0.1095 _refine_ls_wR_factor_gt 0.1036 _refine_ls_goodness_of_fit_ref 1.116 _refine_ls_restrained_S_all 1.081 _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 Mn1 Mn 0.5000 0.5000 0.5000 0.0187(3) Uani 1 2 d S U P . . Mn2 Mn 0.23551(6) 0.34529(9) 0.43179(3) 0.0230(2) Uani 1 1 d . U . . . Mn3 Mn 0.0000 0.5000 0.5000 0.0240(3) Uani 1 2 d S U P . . O1 O 0.4869(3) 0.2831(4) 0.53249(16) 0.0284(8) Uani 1 1 d . U . . . O2 O 0.3227(3) 0.2036(4) 0.49856(16) 0.0300(8) Uani 1 1 d . U . . . O3 O 0.4085(3) 0.4371(4) 0.41098(14) 0.0228(8) Uani 1 1 d . U . . . O4 O 0.3372(3) 0.2608(4) 0.35317(16) 0.0302(9) Uani 1 1 d . U . . . O5 O 0.1129(3) 0.1889(4) 0.41331(16) 0.0307(8) Uani 1 1 d . U . . . O6 O -0.0266(3) 0.2866(5) 0.4608(2) 0.0468(11) Uani 1 1 d . U . . . O7 O 0.1654(3) 0.4916(4) 0.36100(15) 0.0298(8) Uani 1 1 d . U . . . O8 O 0.0276(3) 0.5920(4) 0.40989(16) 0.0385(10) Uani 1 1 d . U . . . O9 O 0.1790(3) 0.4654(4) 0.51108(15) 0.0280(8) Uani 1 1 d . U . . . O10 O 0.3434(3) 0.5469(4) 0.53978(16) 0.0313(9) Uani 1 1 d . U . . . N1 N 0.3433(3) 0.7721(5) 0.3007(2) 0.0282(10) Uani 1 1 d . U . . . N2 N 0.2763(3) 0.8423(5) 0.38806(18) 0.0249(9) Uani 1 1 d . U . . . C1 C 0.2445(4) 0.8453(6) 0.4544(2) 0.0349(13) Uani 1 1 d . U . . . H1A H 0.2486 0.9423 0.4701 0.052 Uiso 1 1 calc R U . . . H1B H 0.2929 0.7851 0.4798 0.052 Uiso 1 1 calc R U . . . H1C H 0.1711 0.8105 0.4566 0.052 Uiso 1 1 calc R U . . . C2 C 0.2515(4) 0.9451(6) 0.3432(2) 0.0337(13) Uani 1 1 d . U . . . H2 H 0.2129 1.0298 0.3494 0.040 Uiso 1 1 calc R U . . . C3 C 0.3318(4) 0.7394(6) 0.3617(2) 0.0270(12) Uani 1 1 d . U . . . H3 H 0.3586 0.6572 0.3822 0.032 Uiso 1 1 calc R U . . . C4 C 0.2931(4) 0.9011(6) 0.2883(3) 0.0346(13) Uani 1 1 d . U . . . H4 H 0.2885 0.9493 0.2495 0.042 Uiso 1 1 calc R U . . . C5 C 0.4061(5) 0.6897(7) 0.2556(3) 0.0447(15) Uani 1 1 d . U . . . H5A H 0.3781 0.7090 0.2124 0.054 Uiso 1 1 calc R U . . . H5AB H 0.3976 0.5876 0.2637 0.054 Uiso 1 1 calc R U . . . C6 C 0.5255(5) 0.7288(9) 0.2615(4) 0.079(3) Uani 1 1 d . U . . . H6A H 0.5648 0.6738 0.2314 0.119 Uiso 1 1 calc R U . . . H6B H 0.5537 0.7078 0.3039 0.119 Uiso 1 1 calc R U . . . H6C H 0.5340 0.8296 0.2530 0.119 Uiso 1 1 calc R U . . . C7 C 0.0522(5) 0.6611(6) 0.3052(2) 0.0377(14) Uani 1 1 d . U . . . H7A H 0.1124 0.6663 0.2777 0.057 Uiso 1 1 calc R U . . . H7B H 0.0321 0.7565 0.3177 0.057 Uiso 1 1 calc R U . . . H7C H -0.0088 0.6158 0.2829 0.057 Uiso 1 1 calc R U . . . C8 C 0.0849(4) 0.5745(6) 0.3633(2) 0.0235(11) Uani 1 1 d . U . . . C9 C -0.0502(5) 0.0570(7) 0.4140(3) 0.0465(16) Uani 1 1 d . U . . . H9A H -0.1211 0.0866 0.3976 0.070 Uiso 1 1 calc R U . . . H9B H -0.0577 -0.0012 0.4513 0.070 Uiso 1 1 calc R U . . . H9C H -0.0149 0.0021 0.3822 0.070 Uiso 1 1 calc R U . . . C10 C 0.0172(4) 0.1875(6) 0.4310(2) 0.0295(12) Uani 1 1 d . U . . . C11 C 0.5243(5) 0.3094(9) 0.3421(3) 0.062(2) Uani 1 1 d . U . . . H11A H 0.5234 0.2175 0.3212 0.094 Uiso 1 1 calc R U . . . H11B H 0.5804 0.3102 0.3755 0.094 Uiso 1 1 calc R U . . . H11C H 0.5385 0.3836 0.3117 0.094 Uiso 1 1 calc R U . . . C12 C 0.4166(4) 0.3357(6) 0.3697(2) 0.0273(12) Uani 1 1 d . U . . . C13 C 0.4265(5) 0.0612(6) 0.5725(3) 0.0382(14) Uani 1 1 d . U . . . H13A H 0.4033 -0.0224 0.5486 0.057 Uiso 1 1 calc R U . . . H13B H 0.3841 0.0699 0.6095 0.057 Uiso 1 1 calc R U . . . H13C H 0.5023 0.0520 0.5853 0.057 Uiso 1 1 calc R U . . . C14 C 0.4101(4) 0.1943(6) 0.5312(2) 0.0252(11) Uani 1 1 d . U . . . C15 C 0.2490(4) 0.5139(7) 0.5524(2) 0.0317(13) Uani 1 1 d . U . . . C16A C 0.208(3) 0.572(9) 0.6167(18) 0.083(12) Uani 0.47(7) 1 d . U P A 1 H16A H 0.2179 0.6747 0.6184 0.124 Uiso 0.47(7) 1 calc R U P A 1 H16B H 0.2494 0.5283 0.6515 0.124 Uiso 0.47(7) 1 calc R U P A 1 H16C H 0.1323 0.5495 0.6197 0.124 Uiso 0.47(7) 1 calc R U P A 1 C16B C 0.218(2) 0.505(4) 0.6205(12) 0.036(6) Uani 0.53(7) 1 d . U P A 2 H16D H 0.1631 0.4326 0.6246 0.054 Uiso 0.53(7) 1 calc R U P A 2 H16E H 0.1896 0.5966 0.6334 0.054 Uiso 0.53(7) 1 calc R U P A 2 H16F H 0.2810 0.4813 0.6472 0.054 Uiso 0.53(7) 1 calc R U P A 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Mn1 0.0177(5) 0.0217(6) 0.0168(5) -0.0011(5) 0.0004(4) 0.0030(5) Mn2 0.0191(4) 0.0299(5) 0.0202(4) 0.0003(4) 0.0025(3) 0.0052(3) Mn3 0.0151(5) 0.0391(7) 0.0178(5) -0.0023(5) 0.0015(4) 0.0045(5) O1 0.0270(19) 0.025(2) 0.032(2) 0.0045(16) -0.0065(16) -0.0016(16) O2 0.0218(19) 0.032(2) 0.035(2) 0.0085(16) -0.0048(15) 0.0019(16) O3 0.0272(18) 0.0229(19) 0.0182(17) -0.0021(15) -0.0015(14) 0.0023(15) O4 0.0218(19) 0.035(2) 0.034(2) -0.0130(17) 0.0053(16) -0.0048(16) O5 0.0197(18) 0.036(2) 0.037(2) -0.0057(17) 0.0043(15) 0.0010(16) O6 0.030(2) 0.049(3) 0.062(3) -0.025(2) 0.016(2) -0.0049(19) O7 0.0309(19) 0.037(2) 0.0218(18) 0.0041(16) 0.0008(15) 0.0105(17) O8 0.031(2) 0.061(3) 0.0242(19) 0.0113(18) 0.0060(17) 0.0129(19) O9 0.0166(17) 0.046(2) 0.0216(17) -0.0045(16) -0.0008(14) 0.0066(16) O10 0.0201(18) 0.043(2) 0.031(2) -0.0103(17) 0.0059(15) 0.0014(16) N1 0.029(2) 0.028(3) 0.028(2) -0.001(2) -0.0028(19) -0.0007(19) N2 0.026(2) 0.023(2) 0.026(2) 0.0047(19) 0.0000(18) -0.0004(19) C1 0.043(3) 0.036(3) 0.026(3) 0.000(3) 0.003(2) -0.002(3) C2 0.041(3) 0.024(3) 0.036(3) 0.007(2) 0.003(3) 0.005(2) C3 0.030(3) 0.021(3) 0.029(3) -0.001(2) -0.011(2) -0.001(2) C4 0.043(3) 0.035(3) 0.025(3) 0.007(2) 0.000(3) -0.001(3) C5 0.048(4) 0.050(4) 0.035(3) -0.014(3) -0.002(3) 0.006(3) C6 0.047(4) 0.105(7) 0.086(6) -0.052(5) 0.024(4) 0.004(4) C7 0.040(3) 0.043(4) 0.031(3) 0.015(3) 0.004(2) 0.011(3) C8 0.024(3) 0.028(3) 0.019(2) 0.001(2) 0.002(2) -0.001(2) C9 0.043(4) 0.054(4) 0.044(4) -0.013(3) 0.017(3) -0.018(3) C10 0.029(3) 0.034(3) 0.026(3) -0.003(2) 0.002(2) -0.001(2) C11 0.035(3) 0.112(6) 0.042(4) -0.049(4) 0.013(3) -0.016(4) C12 0.024(3) 0.039(3) 0.019(2) -0.005(2) 0.002(2) 0.000(2) C13 0.044(4) 0.028(3) 0.041(3) 0.014(3) -0.014(3) -0.006(3) C14 0.025(3) 0.025(3) 0.026(3) -0.001(2) 0.003(2) 0.004(2) C15 0.020(3) 0.052(4) 0.022(3) -0.004(3) -0.002(2) 0.009(3) C16A 0.034(10) 0.19(4) 0.028(12) -0.042(18) 0.000(8) 0.02(2) C16B 0.012(7) 0.077(16) 0.018(5) -0.006(9) -0.004(5) 0.000(8) _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 Mn1 O1 2.136(3) 3_666 ? Mn1 O1 2.136(3) . ? Mn1 O10 2.176(3) . ? Mn1 O10 2.176(3) 3_666 ? Mn1 O3 2.213(3) . ? Mn1 O3 2.213(3) 3_666 ? Mn2 O5 2.114(4) . ? Mn2 O9 2.147(3) . ? Mn2 O7 2.162(3) . ? Mn2 O2 2.168(3) . ? Mn2 O4 2.257(3) . ? Mn2 O3 2.347(3) . ? Mn2 C12 2.630(5) . ? Mn3 O8 2.118(3) 3_566 ? Mn3 O8 2.118(3) . ? Mn3 O6 2.165(4) . ? Mn3 O6 2.165(4) 3_566 ? Mn3 O9 2.221(3) . ? Mn3 O9 2.221(3) 3_566 ? O1 C14 1.251(6) . ? O2 C14 1.248(6) . ? O3 C12 1.287(6) . ? O4 C12 1.234(6) . ? O5 C10 1.249(6) . ? O6 C10 1.248(6) . ? O7 C8 1.255(6) . ? O8 C8 1.242(6) . ? O9 C15 1.273(6) . ? O10 C15 1.238(6) . ? N1 C3 1.331(6) . ? N1 C4 1.367(7) . ? N1 C5 1.465(7) . ? N2 C3 1.311(6) . ? N2 C2 1.366(6) . ? N2 C1 1.464(6) . ? C2 C4 1.345(7) . ? C5 C6 1.509(9) . ? C7 C8 1.500(7) . ? C9 C10 1.501(7) . ? C11 C12 1.488(7) . ? C13 C14 1.518(7) . ? C15 C16B 1.50(3) . ? C15 C16A 1.56(3) . ? 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 Mn1 O1 180.0 3_666 . ? O1 Mn1 O10 90.86(14) 3_666 . ? O1 Mn1 O10 89.14(14) . . ? O1 Mn1 O10 89.14(14) 3_666 3_666 ? O1 Mn1 O10 90.86(14) . 3_666 ? O10 Mn1 O10 180.00(19) . 3_666 ? O1 Mn1 O3 91.27(12) 3_666 . ? O1 Mn1 O3 88.73(12) . . ? O10 Mn1 O3 87.44(12) . . ? O10 Mn1 O3 92.55(12) 3_666 . ? O1 Mn1 O3 88.73(12) 3_666 3_666 ? O1 Mn1 O3 91.27(12) . 3_666 ? O10 Mn1 O3 92.56(12) . 3_666 ? O10 Mn1 O3 87.45(12) 3_666 3_666 ? O3 Mn1 O3 180.00(19) . 3_666 ? O5 Mn2 O9 104.27(13) . . ? O5 Mn2 O7 92.82(14) . . ? O9 Mn2 O7 94.24(13) . . ? O5 Mn2 O2 91.51(13) . . ? O9 Mn2 O2 88.93(13) . . ? O7 Mn2 O2 173.83(13) . . ? O5 Mn2 O4 92.28(13) . . ? O9 Mn2 O4 163.40(13) . . ? O7 Mn2 O4 86.06(13) . . ? O2 Mn2 O4 89.38(13) . . ? O5 Mn2 O3 149.01(12) . . ? O9 Mn2 O3 106.48(12) . . ? O7 Mn2 O3 88.72(12) . . ? O2 Mn2 O3 85.31(12) . . ? O4 Mn2 O3 56.92(12) . . ? O5 Mn2 C12 119.75(15) . . ? O9 Mn2 C12 135.52(15) . . ? O7 Mn2 C12 89.90(15) . . ? O2 Mn2 C12 84.14(15) . . ? O4 Mn2 C12 27.94(14) . . ? O3 Mn2 C12 29.26(14) . . ? O8 Mn3 O8 180.0 3_566 . ? O8 Mn3 O6 86.70(16) 3_566 . ? O8 Mn3 O6 93.30(16) . . ? O8 Mn3 O6 93.30(16) 3_566 3_566 ? O8 Mn3 O6 86.70(16) . 3_566 ? O6 Mn3 O6 180.0 . 3_566 ? O8 Mn3 O9 92.73(13) 3_566 . ? O8 Mn3 O9 87.27(13) . . ? O6 Mn3 O9 92.16(14) . . ? O6 Mn3 O9 87.84(14) 3_566 . ? O8 Mn3 O9 87.27(13) 3_566 3_566 ? O8 Mn3 O9 92.72(13) . 3_566 ? O6 Mn3 O9 87.84(14) . 3_566 ? O6 Mn3 O9 92.16(14) 3_566 3_566 ? O9 Mn3 O9 180.0 . 3_566 ? C14 O1 Mn1 133.1(3) . . ? C14 O2 Mn2 141.4(3) . . ? C12 O3 Mn1 135.3(3) . . ? C12 O3 Mn2 87.7(3) . . ? Mn1 O3 Mn2 111.44(13) . . ? C12 O4 Mn2 93.1(3) . . ? C10 O5 Mn2 128.6(3) . . ? C10 O6 Mn3 143.6(3) . . ? C8 O7 Mn2 130.4(3) . . ? C8 O8 Mn3 140.5(4) . . ? C15 O9 Mn2 118.7(3) . . ? C15 O9 Mn3 130.7(3) . . ? Mn2 O9 Mn3 110.37(14) . . ? C15 O10 Mn1 152.1(4) . . ? C3 N1 C4 108.3(4) . . ? C3 N1 C5 125.9(5) . . ? C4 N1 C5 125.6(5) . . ? C3 N2 C2 108.7(4) . . ? C3 N2 C1 125.7(4) . . ? C2 N2 C1 125.6(4) . . ? C4 C2 N2 107.3(5) . . ? N2 C3 N1 108.8(4) . . ? C2 C4 N1 106.9(5) . . ? N1 C5 C6 111.0(5) . . ? O8 C8 O7 125.8(5) . . ? O8 C8 C7 115.6(5) . . ? O7 C8 C7 118.6(4) . . ? O6 C10 O5 125.1(5) . . ? O6 C10 C9 118.0(5) . . ? O5 C10 C9 116.9(5) . . ? O4 C12 O3 121.2(4) . . ? O4 C12 C11 120.1(5) . . ? O3 C12 C11 118.7(5) . . ? O4 C12 Mn2 59.0(2) . . ? O3 C12 Mn2 63.1(2) . . ? C11 C12 Mn2 170.1(5) . . ? O2 C14 O1 126.4(5) . . ? O2 C14 C13 117.1(5) . . ? O1 C14 C13 116.5(4) . . ? O10 C15 O9 123.4(4) . . ? O10 C15 C16B 120.0(10) . . ? O9 C15 C16B 115.9(10) . . ? O10 C15 C16A 116.1(17) . . ? O9 C15 C16A 118.6(14) . . ? _refine_diff_density_max 0.647 _refine_diff_density_min -0.458 _refine_diff_density_rms 0.084 _shelx_res_file ; shelx.res created by SHELXL-2014/7 TITL Godwin_06_100K_0m_a.res in P2(1)/n REM Old TITL Godwin_06_100K_0m in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.119, Rweak 0.009, Alpha 0.050, Orientation as input REM Formula found by SHELXT: C16 Mn2 N4 O8 CELL 0.56086 12.269 9.289 21.0005 90 92.724 90 ZERR 4 0.0008 0.0007 0.0016 0 0.002 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C Mn N O H UNIT 64 8 8 40 104 L.S. 10 PLAN 20 TEMP 100 LIST 6 fmap 2 SIMU DELU ACTA WGHT 0.000000 11.140800 FVAR 0.49594 0.47172 PART 0 MN1 2 0.500000 0.500000 0.500000 10.50000 0.01767 0.02173 = 0.01677 -0.00115 0.00044 0.00299 MN2 2 0.235510 0.345286 0.431788 11.00000 0.01910 0.02991 = 0.02023 0.00033 0.00253 0.00518 MN3 2 0.000000 0.500000 0.500000 10.50000 0.01509 0.03913 = 0.01782 -0.00231 0.00152 0.00449 O1 4 0.486907 0.283077 0.532491 11.00000 0.02703 0.02523 = 0.03214 0.00445 -0.00654 -0.00157 O2 4 0.322681 0.203615 0.498558 11.00000 0.02183 0.03246 = 0.03509 0.00845 -0.00485 0.00194 O3 4 0.408495 0.437065 0.410982 11.00000 0.02717 0.02292 = 0.01821 -0.00205 -0.00154 0.00227 O4 4 0.337157 0.260764 0.353171 11.00000 0.02179 0.03529 = 0.03388 -0.01300 0.00528 -0.00477 O5 4 0.112903 0.188872 0.413310 11.00000 0.01973 0.03598 = 0.03682 -0.00568 0.00433 0.00103 O6 4 -0.026587 0.286553 0.460824 11.00000 0.03008 0.04950 = 0.06204 -0.02547 0.01637 -0.00489 O7 4 0.165370 0.491569 0.360996 11.00000 0.03091 0.03661 = 0.02177 0.00412 0.00083 0.01050 O8 4 0.027633 0.592014 0.409887 11.00000 0.03057 0.06114 = 0.02420 0.01134 0.00602 0.01293 O9 4 0.179021 0.465426 0.511077 11.00000 0.01660 0.04569 = 0.02156 -0.00454 -0.00079 0.00655 O10 4 0.343372 0.546910 0.539784 11.00000 0.02005 0.04332 = 0.03095 -0.01032 0.00590 0.00140 N1 3 0.343338 0.772127 0.300655 11.00000 0.02850 0.02773 = 0.02802 -0.00141 -0.00285 -0.00069 N2 3 0.276270 0.842254 0.388056 11.00000 0.02591 0.02309 = 0.02567 0.00474 0.00002 -0.00038 C1 1 0.244505 0.845299 0.454365 11.00000 0.04255 0.03628 = 0.02595 0.00019 0.00257 -0.00206 AFIX 137 H1A 5 0.248647 0.942276 0.470097 11.00000 -1.50000 H1B 5 0.292925 0.785118 0.479848 11.00000 -1.50000 H1C 5 0.171114 0.810502 0.456630 11.00000 -1.50000 AFIX 0 C2 1 0.251457 0.945072 0.343160 11.00000 0.04061 0.02434 = 0.03631 0.00714 0.00326 0.00464 AFIX 43 H2 5 0.212942 1.029756 0.349363 11.00000 -1.20000 AFIX 0 C3 1 0.331766 0.739422 0.361661 11.00000 0.03000 0.02106 = 0.02874 -0.00107 -0.01058 -0.00069 AFIX 43 H3 5 0.358624 0.657160 0.382194 11.00000 -1.20000 AFIX 0 C4 1 0.293054 0.901117 0.288330 11.00000 0.04330 0.03539 = 0.02490 0.00715 -0.00014 -0.00067 AFIX 43 H4 5 0.288479 0.949274 0.249470 11.00000 -1.20000 AFIX 0 C5 1 0.406116 0.689658 0.255553 11.00000 0.04814 0.05009 = 0.03546 -0.01361 -0.00238 0.00570 AFIX 23 H5A 5 0.378061 0.708965 0.212436 11.00000 -1.20000 H5AB 5 0.397639 0.587587 0.263721 11.00000 -1.20000 AFIX 0 C6 1 0.525534 0.728786 0.261489 11.00000 0.04727 0.10532 = 0.08639 -0.05234 0.02374 0.00358 AFIX 137 H6A 5 0.564809 0.673846 0.231373 11.00000 -1.50000 H6B 5 0.553724 0.707806 0.303901 11.00000 -1.50000 H6C 5 0.534044 0.829597 0.252970 11.00000 -1.50000 AFIX 0 C7 1 0.052194 0.661084 0.305176 11.00000 0.03970 0.04276 = 0.03096 0.01504 0.00407 0.01140 AFIX 137 H7A 5 0.112360 0.666348 0.277665 11.00000 -1.50000 H7B 5 0.032094 0.756463 0.317742 11.00000 -1.50000 H7C 5 -0.008797 0.615838 0.282931 11.00000 -1.50000 AFIX 0 C8 1 0.084884 0.574539 0.363274 11.00000 0.02394 0.02816 = 0.01854 0.00079 0.00212 -0.00076 C9 1 -0.050209 0.056969 0.413991 11.00000 0.04292 0.05368 = 0.04427 -0.01326 0.01656 -0.01805 AFIX 137 H9A 5 -0.121078 0.086563 0.397602 11.00000 -1.50000 H9B 5 -0.057727 -0.001205 0.451310 11.00000 -1.50000 H9C 5 -0.014917 0.002075 0.382169 11.00000 -1.50000 AFIX 0 C10 1 0.017175 0.187489 0.431021 11.00000 0.02913 0.03388 = 0.02553 -0.00342 0.00160 -0.00114 C11 1 0.524258 0.309415 0.342096 11.00000 0.03461 0.11212 = 0.04182 -0.04938 0.01338 -0.01642 AFIX 137 H11A 5 0.523372 0.217476 0.321199 11.00000 -1.50000 H11B 5 0.580404 0.310211 0.375530 11.00000 -1.50000 H11C 5 0.538473 0.383571 0.311750 11.00000 -1.50000 AFIX 0 C12 1 0.416569 0.335747 0.369700 11.00000 0.02356 0.03917 = 0.01932 -0.00470 0.00179 -0.00007 C13 1 0.426458 0.061225 0.572451 11.00000 0.04422 0.02792 = 0.04105 0.01367 -0.01350 -0.00558 AFIX 137 H13A 5 0.403308 -0.022395 0.548588 11.00000 -1.50000 H13B 5 0.384119 0.069889 0.609545 11.00000 -1.50000 H13C 5 0.502265 0.051990 0.585324 11.00000 -1.50000 AFIX 0 C14 1 0.410143 0.194326 0.531180 11.00000 0.02483 0.02542 = 0.02558 -0.00145 0.00304 0.00377 C15 1 0.249043 0.513852 0.552357 11.00000 0.02028 0.05222 = 0.02239 -0.00419 -0.00185 0.00893 Part 1 C16A 1 0.208234 0.572234 0.616674 21.00000 0.03412 0.18546 = 0.02816 -0.04177 0.00025 0.02496 AFIX 137 H16A 5 0.217866 0.674745 0.618390 21.00000 -1.50000 H16B 5 0.249404 0.528336 0.651513 21.00000 -1.50000 H16C 5 0.132318 0.549548 0.619699 21.00000 -1.50000 AFIX 0 Part 2 C16B 1 0.217869 0.505314 0.620536 -21.00000 0.01210 0.07704 = 0.01815 -0.00602 -0.00424 0.00024 AFIX 137 H16D 5 0.163066 0.432559 0.624608 -21.00000 -1.50000 H16E 5 0.189627 0.596640 0.633399 -21.00000 -1.50000 H16F 5 0.280984 0.481283 0.647191 -21.00000 -1.50000 AFIX 0 HKLF 4 REM Godwin_06_100K_0m_a.res in P2(1)/n REM R1 = 0.0532 for 2961 Fo > 4sig(Fo) and 0.0707 for all 3645 data REM 292 parameters refined using 251 restraints END WGHT 0.0000 11.1410 REM Highest difference peak 0.647, deepest hole -0.458, 1-sigma level 0.084 Q1 1 0.1772 0.2137 0.6104 11.00000 0.05 0.65 Q2 1 0.2609 0.1783 0.4276 11.00000 0.05 0.40 Q3 1 0.5037 0.4201 0.3243 11.00000 0.05 0.35 Q4 1 0.5000 0.0000 0.5000 10.50000 0.05 0.35 Q5 1 0.1305 0.2764 0.4192 11.00000 0.05 0.34 Q6 1 0.0605 0.7462 0.4393 11.00000 0.05 0.34 Q7 1 0.5483 -0.0220 0.5910 11.00000 0.05 0.33 Q8 1 0.3039 0.2962 0.4886 11.00000 0.05 0.31 Q9 1 0.0149 -0.0426 0.4435 11.00000 0.05 0.29 Q10 1 0.2033 0.1822 0.4146 11.00000 0.05 0.29 Q11 1 -0.0537 -0.1064 0.3613 11.00000 0.05 0.29 Q12 1 -0.0297 0.6829 0.3150 11.00000 0.05 0.29 Q13 1 0.4784 0.4686 0.4051 11.00000 0.05 0.29 Q14 1 0.4463 0.0944 0.6064 11.00000 0.05 0.28 Q15 1 0.0616 0.6054 0.2758 11.00000 0.05 0.28 Q16 1 0.2822 0.0087 0.5682 11.00000 0.05 0.28 Q17 1 0.3016 0.3441 0.6122 11.00000 0.05 0.27 Q18 1 0.3198 0.1637 0.3812 11.00000 0.05 0.27 Q19 1 -0.1171 0.0541 0.4323 11.00000 0.05 0.27 Q20 1 0.1012 0.3046 0.3685 11.00000 0.05 0.26 ; _shelx_res_checksum 36093 _shelx_hkl_file ; 3 0 0 4.65936 5.75617 1 3 0 0 0.00225 4.96604 1 -3 0 0 2.67060 5.09089 1 4 0 0 8058.04 192.867 1 -4 0 0 6677.65 190.648 1 -4 0 0 7512.05 191.718 1 4 0 0 8307.35 193.091 1 5 0 0 -8.0905 7.08434 1 -5 0 0 2.68736 6.73539 1 -5 0 0 0.13731 7.36201 1 6 0 0 587.633 30.3969 1 -6 0 0 702.246 32.2640 1 6 0 0 730.413 32.6024 1 -6 0 0 630.499 43.3028 1 -7 0 0 -17.560 9.15720 1 -7 0 0 6.43791 10.7474 1 7 0 0 5.61811 9.67825 1 7 0 0 -9.2683 8.18321 1 8 0 0 1636.70 62.1515 1 8 0 0 1724.84 62.8769 1 -8 0 0 1690.52 62.8029 1 -8 0 0 1647.79 63.0783 1 -9 0 0 30.8031 13.4352 1 9 0 0 8.86821 11.0974 1 9 0 0 29.1775 12.7838 1 -9 0 0 7.60888 16.4661 1 10 0 0 44.6473 17.0386 1 10 0 0 44.3443 15.2550 1 -10 0 0 33.3010 14.4311 1 -10 0 0 51.7317 15.0018 1 -11 0 0 24.0817 17.1442 1 11 0 0 -0.1728 11.3003 1 -12 0 0 2055.64 82.1928 1 12 0 0 2066.12 80.4602 1 13 0 0 7.68321 14.8221 1 -2 -1 0 220.443 14.8262 1 -2 -1 0 290.276 18.8144 1 2 1 0 259.870 15.5257 1 3 -1 0 868.765 24.2734 1 -3 -1 0 878.245 44.1153 1 3 -1 0 870.571 23.8838 1 -3 -1 0 815.668 34.0156 1 3 1 0 880.371 34.6871 1 -3 1 0 813.490 24.1822 1 -3 1 0 866.557 24.2495 1 3 1 0 885.473 34.7089 1 -4 -1 0 2559.78 79.3103 1 4 -1 0 2759.58 68.9961 1 4 -1 0 2724.10 69.2624 1 4 1 0 2711.43 80.5598 1 4 1 0 2770.30 80.5884 1 -4 1 0 2514.46 68.9146 1 -4 1 0 2487.46 68.7257 1 -5 -1 0 1779.72 61.4546 1 5 -1 0 1797.50 51.4047 1 5 -1 0 1814.54 51.7232 1 5 1 0 1743.86 61.5981 1 5 1 0 1783.05 61.9008 1 -5 1 0 1734.89 51.6931 1 -5 1 0 1784.63 51.6528 1 6 -1 0 289.889 16.8022 1 6 1 0 256.657 22.7502 1 -6 1 0 206.724 16.6089 1 6 1 0 292.005 23.9865 1 7 -1 0 461.655 23.7941 1 7 -1 0 462.376 24.4768 1 -7 -1 0 498.175 32.0751 1 7 1 0 441.994 30.3342 1 -7 1 0 430.857 24.7588 1 7 1 0 472.157 31.6942 1 -7 1 0 453.108 24.4714 1 8 -1 0 513.581 27.3391 1 -8 -1 0 538.401 36.4132 1 8 -1 0 547.695 28.5381 1 -8 -1 0 561.092 35.7439 1 -8 1 0 465.933 28.2409 1 -8 1 0 520.804 27.9549 1 8 1 0 516.777 35.8173 1 8 1 0 517.991 35.4494 1 -9 -1 0 36.0273 17.8709 1 9 -1 0 28.1856 11.6507 1 9 -1 0 24.1250 11.7172 1 9 1 0 23.5547 14.9084 1 9 1 0 30.5987 13.2869 1 -9 1 0 47.5376 23.2912 1 -9 1 0 26.0431 11.4917 1 -10 -1 0 431.335 37.1436 1 10 -1 0 381.405 41.8716 1 -10 -1 0 368.550 33.0043 1 -10 1 0 456.116 30.5796 1 10 1 0 452.397 35.4047 1 10 1 0 369.800 35.6418 1 -10 1 0 435.481 29.4608 1 11 -1 0 76.7351 14.7507 1 -11 -1 0 81.0699 22.4219 1 -11 1 0 89.5585 17.0095 1 11 1 0 77.1253 21.0448 1 -12 -1 0 319.588 37.8739 1 12 -1 0 240.123 24.6932 1 -12 1 0 318.727 29.3601 1 12 1 0 233.574 29.7767 1 -13 -1 0 36.1315 24.9449 1 13 -1 0 60.9415 16.4756 1 -13 1 0 44.5096 20.0043 1 13 1 0 60.9598 20.1271 1 14 -1 0 28.7235 16.2563 1 -14 1 0 28.0792 22.2894 1 0 -2 0 19.7341 6.36247 1 0 -2 0 15.7511 6.57466 1 0 2 0 13.7971 6.00250 1 1 -2 0 2291.80 61.8520 1 -1 -2 0 2241.78 67.7247 1 1 -2 0 2205.80 61.5421 1 -1 -2 0 2238.72 67.3464 1 -1 2 0 2141.32 61.1789 1 1 2 0 2404.19 68.4563 1 1 2 0 2243.50 67.1659 1 -2 -2 0 183.566 22.5216 1 -3 -2 0 7102.36 184.267 1 -3 -2 0 6695.62 182.389 1 3 2 0 6828.14 183.298 1 3 2 0 6976.96 183.461 1 -4 -2 0 549.309 31.4162 1 -4 -2 0 545.479 31.2439 1 4 2 0 546.960 31.2755 1 4 2 0 610.652 32.8371 1 -5 -2 0 995.829 45.8469 1 -5 -2 0 880.428 43.4949 1 5 2 0 960.329 44.6037 1 5 2 0 957.960 45.1783 1 -6 -2 0 241.781 25.4396 1 -6 -2 0 196.042 23.1846 1 6 -2 0 231.570 10.7398 1 6 2 0 202.277 26.5144 1 -6 2 0 216.848 11.5837 1 -6 2 0 171.909 10.2908 1 6 2 0 218.034 22.9153 1 -7 -2 0 1046.96 50.9728 1 7 -2 0 1006.57 32.7227 1 7 -2 0 1011.03 31.1687 1 7 2 0 1004.78 49.8682 1 -7 2 0 1070.07 33.2841 1 7 2 0 977.464 50.7569 1 -7 2 0 965.744 32.4415 1 8 -2 0 145.465 11.2148 1 8 -2 0 167.306 13.2695 1 -8 -2 0 179.263 26.2829 1 8 2 0 117.867 23.9151 1 -8 2 0 126.138 14.0020 1 8 2 0 137.702 23.9602 1 9 -2 0 103.579 13.0649 1 -9 -2 0 76.5144 20.8175 1 -9 -2 0 131.795 24.2385 1 9 -2 0 96.4632 11.7324 1 -9 2 0 128.445 17.6714 1 -9 2 0 86.0929 13.3889 1 9 2 0 102.959 21.0731 1 9 2 0 87.2242 21.7014 1 -10 -2 0 395.755 38.6772 1 10 -2 0 345.826 21.0832 1 -10 -2 0 287.844 32.4641 1 10 -2 0 339.241 19.5101 1 10 2 0 362.949 34.7841 1 -10 2 0 302.244 21.8698 1 10 2 0 512.785 59.1591 1 -10 2 0 295.247 20.8940 1 -11 -2 0 289.433 35.0344 1 11 -2 0 226.229 20.6241 1 11 2 0 239.827 50.9092 1 -11 2 0 204.553 20.0010 1 -12 -2 0 205.404 38.1413 1 12 -2 0 218.249 21.1391 1 12 2 0 220.048 33.6052 1 -12 2 0 211.300 21.6489 1 13 -2 0 -0.2000 13.4001 1 -13 2 0 -16.764 12.2395 1 14 -2 0 219.092 22.9168 1 -14 2 0 215.508 25.3154 1 0 -3 0 -2.2264 7.33652 1 0 -3 0 -13.440 6.38135 1 0 3 0 3.86450 7.73898 1 -1 -3 0 230.849 20.0273 1 1 -3 0 241.110 16.8718 1 1 -3 0 249.306 17.5066 1 -1 -3 0 226.879 19.7496 1 1 3 0 273.648 20.8462 1 -1 3 0 211.757 16.3880 1 1 3 0 256.171 19.9351 1 2 -3 0 133.986 12.3964 1 -2 -3 0 152.465 23.2020 1 -2 -3 0 154.223 20.4216 1 2 -3 0 110.877 11.6687 1 2 3 0 113.045 16.7547 1 -2 3 0 95.2916 11.5045 1 2 3 0 143.613 17.6328 1 -3 -3 0 36.4087 13.8634 1 3 -3 0 53.5692 7.50406 1 -3 -3 0 50.8565 15.6736 1 3 -3 0 46.1338 7.00230 1 3 3 0 70.9301 15.5318 1 -3 3 0 46.1734 6.91280 1 -3 3 0 43.7644 7.51646 1 3 3 0 48.2682 14.1974 1 -4 -3 0 1725.32 67.4741 1 -4 -3 0 1675.15 65.9678 1 4 3 0 1773.25 67.3676 1 4 3 0 1776.46 67.6680 1 -5 -3 0 236.520 29.8707 1 -5 -3 0 200.910 24.2061 1 5 3 0 241.439 25.9847 1 5 3 0 204.960 24.9859 1 -6 -3 0 95.2374 20.9599 1 -6 -3 0 106.032 26.3297 1 6 3 0 97.9033 22.1536 1 6 3 0 73.0234 19.8910 1 -7 -3 0 537.272 40.3375 1 -7 -3 0 526.976 39.1814 1 7 3 0 563.283 40.0778 1 7 3 0 527.204 38.9676 1 -8 -3 0 128.229 26.8274 1 -8 -3 0 91.1561 21.9751 1 8 3 0 179.297 29.1194 1 8 3 0 161.462 28.7358 1 -9 -3 0 41.4776 18.0607 1 -9 -3 0 65.6074 22.1597 1 9 3 0 58.5472 21.3199 1 9 3 0 91.9733 22.6244 1 -10 -3 0 2.55337 13.4270 1 10 3 0 -5.7404 12.5459 1 11 3 0 568.989 46.2438 1 -12 -3 0 -29.244 23.7699 1 12 3 0 -29.063 15.0110 1 0 -4 0 3394.70 100.335 1 0 -4 0 3263.50 100.129 1 0 4 0 3187.72 99.1761 1 -1 -4 0 68.0362 16.6210 1 1 -4 0 47.8629 14.1364 1 1 -4 0 56.9128 12.9666 1 -1 -4 0 48.2503 14.4929 1 -1 4 0 58.1863 12.3033 1 1 4 0 52.0922 13.5798 1 1 4 0 66.2080 15.8507 1 2 -4 0 2067.18 65.1135 1 2 -4 0 2038.88 64.6140 1 -2 -4 0 1977.32 82.1998 1 -2 -4 0 2076.38 75.5412 1 -2 4 0 2061.42 71.9012 1 2 4 0 1982.12 73.7947 1 -2 4 0 2014.32 81.5929 1 2 4 0 2068.14 75.0975 1 3 -4 0 1364.73 46.0353 1 -3 -4 0 1411.19 60.0696 1 -3 -4 0 1432.24 61.7664 1 3 -4 0 1369.15 46.2433 1 -3 4 0 1454.64 46.1698 1 3 4 0 1395.64 60.6670 1 3 4 0 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5 -1 2 468.795 19.6902 1 5 -1 2 437.018 20.0305 1 5 1 2 476.179 27.6347 1 -5 1 -2 425.671 20.2240 1 5 1 2 447.429 26.6892 1 -5 1 -2 454.501 20.6612 1 6 -1 2 211.373 15.5716 1 6 -1 2 196.953 14.7285 1 -6 -1 -2 209.063 20.7580 1 -6 1 -2 176.749 15.1829 1 6 1 2 197.014 20.6284 1 -6 1 -2 196.759 16.4427 1 6 1 2 179.862 20.3161 1 -7 -1 -2 93.1538 20.7253 1 7 -1 2 129.226 15.2414 1 7 -1 2 104.130 14.0555 1 -7 -1 -2 103.650 19.0864 1 7 1 2 130.350 19.9778 1 -7 1 -2 108.150 15.8852 1 -7 1 -2 101.163 13.7055 1 7 1 2 89.9748 17.6937 1 8 -1 2 690.300 31.6821 1 8 -1 2 644.900 32.7001 1 -8 -1 -2 751.892 42.8731 1 -8 -1 -2 691.240 40.1455 1 -8 1 -2 717.351 32.9887 1 -8 1 -2 731.174 35.0556 1 8 1 2 632.046 39.5704 1 9 -1 2 1.25231 9.66855 1 -9 -1 -2 3.60060 11.5483 1 9 -1 2 4.38111 8.51742 1 -9 -1 -2 4.63883 14.9577 1 -9 1 -2 -11.721 9.67508 1 9 1 2 -8.2325 11.9525 1 -9 1 -2 17.8432 10.8750 1 9 1 2 26.0225 14.0345 1 10 -1 2 210.217 27.5574 1 -10 -1 -2 169.860 26.2288 1 -10 -1 -2 190.497 30.3334 1 10 -1 2 184.742 21.6105 1 -10 1 -2 210.296 23.3227 1 10 1 2 208.654 27.5796 1 -10 1 -2 174.703 21.7103 1 11 -1 2 65.2656 14.2706 1 -11 -1 -2 76.5311 23.1267 1 11 1 2 71.1834 18.6398 1 -11 1 -2 97.7957 19.1679 1 -12 -1 -2 262.797 35.8604 1 12 -1 2 276.572 25.9544 1 12 1 2 237.122 28.8215 1 -12 1 -2 269.759 28.7893 1 -13 -1 -2 72.6581 27.2806 1 13 -1 2 44.4811 16.6096 1 -13 1 -2 47.6685 18.6225 1 13 1 2 68.8112 20.4175 1 14 -1 2 36.1253 15.1794 1 -14 1 -2 11.1201 21.3964 1 14 -2 -2 54.0516 15.4984 1 -14 2 2 81.9686 17.2861 1 13 -2 -2 96.3594 18.2056 1 -13 2 2 75.2523 15.3034 1 12 -2 -2 396.979 27.6826 1 -12 -2 2 401.882 44.1900 1 -12 2 2 386.283 26.7266 1 12 2 -2 407.175 39.6830 1 -11 -2 2 439.925 41.0133 1 11 -2 -2 410.361 27.2201 1 11 2 -2 436.378 38.9068 1 -11 2 2 409.860 25.8012 1 -10 -2 2 951.257 55.7446 1 10 -2 -2 878.380 38.2699 1 10 -2 -2 919.769 36.4026 1 -10 -2 2 967.311 55.3022 1 -10 2 2 910.077 39.2324 1 -10 2 2 821.622 36.9897 1 10 2 -2 845.809 61.2074 1 10 2 -2 839.119 52.3232 1 -9 -2 2 167.731 32.4503 1 9 -2 -2 199.049 18.4201 1 9 -2 -2 225.677 15.7719 1 9 2 -2 239.363 28.9968 1 -9 2 2 217.551 18.7790 1 -9 2 2 221.401 23.4507 1 9 2 -2 231.666 32.6787 1 8 -2 -2 108.998 15.2696 1 -8 -2 2 73.5678 19.8180 1 8 -2 -2 110.731 12.6527 1 8 2 -2 107.491 21.3610 1 8 2 -2 105.338 23.2266 1 -8 2 2 86.0999 13.4622 1 -8 2 2 113.485 13.7431 1 -7 -2 2 363.392 31.2941 1 -7 -2 2 406.286 33.1278 1 7 -2 -2 399.391 18.0187 1 7 -2 -2 354.189 20.0633 1 7 2 -2 358.944 31.7965 1 7 2 -2 388.517 32.1427 1 -7 2 2 377.132 20.8363 1 -7 2 2 312.085 19.5497 1 6 -2 -2 1972.65 54.1714 1 6 -2 -2 1997.26 57.0670 1 -6 -2 2 1918.73 74.0030 1 -6 -2 2 1983.58 74.4499 1 -6 2 2 1860.67 55.9642 1 6 2 -2 1918.61 73.5184 1 -6 2 2 2014.39 57.5254 1 6 2 -2 1902.71 74.4504 1 -5 -2 2 2132.38 76.2131 1 5 -2 -2 2172.54 61.5369 1 -5 -2 2 2196.69 77.2153 1 5 -2 -2 2131.42 59.5236 1 -5 2 2 2186.33 59.6418 1 5 2 -2 2085.66 76.2611 1 5 2 -2 2230.29 77.1648 1 -5 2 2 2075.82 59.7927 1 4 -2 -2 1601.07 45.2306 1 -4 -2 2 1624.80 60.1665 1 -4 -2 2 1644.18 60.2631 1 4 -2 -2 1649.28 44.4140 1 4 2 -2 1616.45 60.0438 1 -4 2 2 1524.23 44.1231 1 4 2 -2 1598.73 60.1346 1 -4 2 2 1498.08 45.4364 1 3 -2 -2 1143.23 34.2844 1 -3 -2 2 950.533 43.2318 1 3 -2 -2 1177.10 33.3229 1 3 2 -2 1056.01 44.6641 1 -3 2 2 1026.77 32.1207 1 3 2 -2 1090.64 44.7345 1 -3 2 2 1183.12 34.7123 1 2 -2 -2 585.864 23.1711 1 2 -2 -2 564.612 21.8825 1 -2 -2 2 514.822 34.1197 1 2 2 -2 730.934 32.4461 1 -2 2 2 585.430 23.0753 1 -2 2 2 546.833 21.4640 1 1 -2 -2 2099.90 59.6016 1 -1 -2 2 2054.88 63.8977 1 -1 -2 2 2028.38 63.6128 1 1 -2 -2 2098.59 59.0207 1 1 2 -2 2026.44 63.2773 1 1 2 -2 2036.11 63.6924 1 -1 2 2 1997.02 58.0526 1 0 -2 -2 2958.05 82.8752 1 0 -2 2 2939.85 82.2776 1 0 -2 -2 3089.63 84.0850 1 0 -2 2 2949.51 82.7024 1 0 2 2 2914.77 83.5079 1 0 2 -2 2939.65 82.6656 1 0 2 2 2927.89 82.2646 1 -1 -2 -2 5630.91 149.657 1 1 -2 2 5939.98 143.120 1 -1 -2 -2 5512.81 148.610 1 1 -2 2 5816.54 143.167 1 1 2 2 5573.77 149.383 1 1 2 2 5741.77 149.073 1 -1 2 -2 5428.35 142.717 1 -2 -2 -2 3920.02 111.463 1 -2 -2 -2 3838.04 110.740 1 2 -2 2 4007.12 98.8657 1 2 -2 2 3979.91 98.9459 1 2 2 2 3985.05 110.531 1 -2 2 -2 3994.20 101.113 1 2 2 2 3833.14 111.056 1 -2 2 -2 3759.69 98.8731 1 -3 -2 -2 141.078 18.4773 1 -3 -2 -2 134.105 18.3310 1 3 -2 2 124.778 7.60861 1 3 2 2 108.252 16.2899 1 3 2 2 114.724 16.1863 1 -3 2 -2 115.467 6.66086 1 -3 2 -2 117.891 7.94136 1 -4 -2 -2 530.213 31.4173 1 -4 -2 -2 520.021 30.9320 1 4 2 2 560.670 31.4316 1 4 2 2 502.527 31.0084 1 -5 -2 -2 14.5792 12.6416 1 -5 -2 -2 10.7069 12.4615 1 5 2 2 15.9553 11.6105 1 5 2 2 32.2741 14.3335 1 -6 -2 -2 740.360 42.0457 1 -6 -2 -2 712.837 40.1010 1 -6 2 -2 695.219 23.2899 1 -6 2 -2 629.344 23.1900 1 6 2 2 729.174 41.7436 1 6 2 2 767.958 40.6030 1 -7 -2 -2 485.848 35.4814 1 7 -2 2 502.131 20.0554 1 7 2 2 458.301 34.3100 1 7 2 2 490.218 36.1379 1 -7 2 -2 482.086 20.5251 1 -7 2 -2 500.482 20.1219 1 8 -2 2 1130.52 38.7715 1 -8 -2 -2 1261.69 59.3110 1 8 -2 2 1228.56 38.2231 1 8 2 2 1272.60 60.7091 1 8 2 2 1196.71 56.4230 1 -8 2 -2 1216.63 39.9094 1 -8 2 -2 1206.88 40.7491 1 9 -2 2 2.07312 6.52701 1 -9 -2 -2 1.76357 13.5451 1 9 -2 2 -13.288 6.76370 1 -9 -2 -2 -2.1108 16.9619 1 -9 2 -2 -10.900 7.25300 1 9 2 2 -21.518 10.6769 1 -9 2 -2 -11.197 13.0579 1 9 2 2 1.72839 13.9493 1 -10 -2 -2 37.7442 19.9650 1 10 -2 2 79.4687 11.7473 1 -10 -2 -2 98.7131 25.1353 1 -10 2 -2 52.4751 11.4131 1 -10 2 -2 59.5416 13.3219 1 10 2 2 60.7255 18.6686 1 -11 -2 -2 76.2117 25.2844 1 11 -2 2 20.1209 10.4999 1 11 2 2 27.4956 20.9052 1 -11 2 -2 18.8753 10.9702 1 12 -2 2 264.545 20.7260 1 -12 -2 -2 317.023 41.5580 1 -12 2 -2 199.442 22.5780 1 12 2 2 302.190 34.5102 1 13 -2 2 4.37881 10.9401 1 -14 2 -2 219.140 25.7719 1 -13 3 2 101.099 17.6796 1 12 -3 -2 19.6004 8.93379 1 -12 -3 2 -7.5413 27.9798 1 12 3 -2 24.3501 18.9956 1 -12 3 2 17.9011 9.82086 1 11 3 -2 61.8238 22.1329 1 10 -3 -2 68.3179 10.1864 1 10 -3 -2 58.6644 7.90433 1 -10 -3 2 57.4628 21.9420 1 -10 -3 2 38.7947 18.5362 1 -10 3 2 69.3429 10.0872 1 -10 3 2 60.9621 10.1333 1 10 3 -2 68.2841 22.4148 1 -9 -3 2 11.8998 16.9304 1 -9 -3 2 16.9920 17.5485 1 -9 3 2 13.6367 7.17535 1 9 3 -2 20.3545 19.0952 1 9 3 -2 20.0599 17.1176 1 -9 3 2 11.7601 7.37688 1 -8 -3 2 117.180 24.8403 1 -8 -3 2 111.685 25.3977 1 8 -3 -2 102.714 9.84364 1 8 -3 -2 102.251 8.68077 1 -8 3 2 93.0561 10.2671 1 8 3 -2 85.1228 22.1623 1 -8 3 2 99.5515 10.7211 1 8 3 -2 116.516 25.2101 1 -7 -3 2 67.2736 20.5055 1 -7 -3 2 44.6206 18.4366 1 7 3 -2 113.845 23.2482 1 -7 3 2 60.5914 9.32614 1 7 3 -2 102.982 23.8334 1 -7 3 2 72.4715 9.44674 1 6 -3 -2 23.3608 6.11198 1 -6 -3 2 14.8002 14.8895 1 -6 -3 2 12.5428 15.5838 1 6 -3 -2 15.1646 5.18940 1 6 3 -2 20.5966 14.9186 1 6 3 -2 14.6220 12.8251 1 -6 3 2 17.1407 6.71722 1 -5 -3 2 313.105 28.3475 1 -5 -3 2 344.362 30.0068 1 5 -3 -2 296.478 13.8336 1 5 3 -2 297.551 28.4156 1 5 3 -2 247.290 27.6941 1 -5 3 2 265.769 14.6679 1 4 -3 -2 767.796 27.4605 1 -4 -3 2 690.130 40.3595 1 -4 -3 2 740.903 41.0009 1 4 -3 -2 736.553 26.7350 1 4 3 -2 783.609 42.0887 1 -4 3 2 738.857 27.3567 1 -4 3 2 783.552 25.5558 1 4 3 -2 780.153 41.9764 1 -3 -3 2 440.030 30.0791 1 3 -3 -2 492.005 21.1177 1 3 -3 -2 482.852 21.5862 1 -3 -3 2 461.648 31.1271 1 3 3 -2 501.659 32.2665 1 -3 3 2 501.899 20.5629 1 3 3 -2 516.591 31.9104 1 -3 3 2 464.209 21.8815 1 2 -3 -2 8.11214 6.96456 1 -2 -3 2 13.8767 9.66765 1 -2 -3 2 13.8253 8.73027 1 2 -3 -2 10.9121 5.96814 1 2 3 -2 32.2358 10.9489 1 -2 3 2 4.92892 5.76225 1 -2 3 2 8.32597 6.96947 1 2 3 -2 37.6224 11.4721 1 1 -3 -2 44.5084 10.0937 1 -1 -3 2 28.3363 10.5077 1 1 -3 -2 27.6910 9.58715 1 -1 -3 2 22.4831 10.5281 1 1 3 -2 23.0863 10.5903 1 1 3 -2 34.2793 10.8628 1 -1 3 2 19.3484 8.53383 1 0 -3 -2 149.984 16.5967 1 0 -3 2 125.033 15.0076 1 0 -3 2 105.898 14.6646 1 0 3 -2 115.506 16.2425 1 0 3 2 90.7042 15.0830 1 -1 -3 -2 622.439 31.4300 1 -1 -3 -2 604.150 31.4175 1 1 -3 2 618.999 27.0654 1 1 -3 2 607.483 27.0396 1 -1 3 -2 559.302 26.5937 1 1 3 2 584.006 31.1683 1 1 3 2 574.296 30.7047 1 -2 -3 -2 689.047 35.3418 1 -2 -3 -2 681.803 34.6836 1 2 -3 2 680.999 26.7700 1 2 -3 2 689.497 26.7623 1 -2 3 -2 642.052 26.6129 1 2 3 2 665.908 34.5941 1 -2 3 -2 633.836 26.4156 1 2 3 2 675.295 34.8272 1 -3 -3 -2 1937.73 70.0281 1 3 -3 2 1901.23 53.3027 1 -3 -3 -2 1887.59 69.1102 1 3 -3 2 1928.59 52.9953 1 -3 3 -2 1921.89 53.6559 1 3 3 2 1836.34 68.7350 1 3 3 2 1909.77 68.7655 1 -3 3 -2 1869.15 52.4304 1 -4 -3 -2 75.2834 16.4630 1 -4 -3 -2 53.5108 16.6425 1 4 3 2 64.6775 16.2596 1 4 3 2 84.6754 16.2614 1 -5 -3 -2 458.929 33.1618 1 -5 -3 -2 443.877 34.3311 1 5 3 2 481.054 51.5429 1 5 3 2 511.240 34.9522 1 -6 -3 -2 -16.457 11.2209 1 6 3 2 1.59436 12.7567 1 6 3 2 -1.4962 11.8013 1 -7 -3 -2 864.271 50.5551 1 -7 -3 -2 917.409 52.1320 1 7 3 2 861.233 48.5964 1 7 3 2 841.686 51.0993 1 -8 -3 -2 113.596 24.0860 1 -8 -3 -2 77.3761 20.7666 1 8 3 2 103.937 22.4052 1 8 3 2 109.357 24.4394 1 -9 -3 -2 90.7967 24.7335 1 -9 -3 -2 113.501 23.2303 1 9 3 2 92.8436 23.5903 1 9 3 2 148.737 28.4243 1 10 3 2 14.6812 13.5774 1 11 3 2 412.594 39.3817 1 -12 -3 -2 4.99466 27.3346 1 12 3 2 27.4626 24.9979 1 -11 -4 2 131.954 32.4839 1 11 4 -2 90.7084 24.8890 1 -10 -4 2 1015.78 64.4756 1 -10 -4 2 1047.74 73.3910 1 10 4 -2 1000.71 62.6329 1 -9 -4 2 265.154 40.1378 1 -9 -4 2 182.258 32.4159 1 9 4 -2 170.546 31.9167 1 9 4 -2 229.357 33.4809 1 -8 -4 2 142.126 28.0024 1 -8 -4 2 193.935 33.4184 1 8 4 -2 173.960 32.0974 1 8 4 -2 172.256 30.0788 1 -7 -4 2 548.112 44.1599 1 -7 -4 2 581.821 43.6829 1 7 4 -2 619.394 46.4812 1 7 4 -2 517.878 42.2041 1 -6 -4 2 2333.26 90.7514 1 6 -4 -2 2289.48 60.6777 1 -6 -4 2 2241.60 90.1660 1 6 -4 -2 2222.93 60.9588 1 6 4 -2 2190.34 89.9176 1 6 4 -2 2226.92 90.1905 1 -6 4 2 2262.32 67.8941 1 -6 4 2 2309.93 60.0752 1 5 -4 -2 601.222 24.9977 1 -5 -4 2 588.712 41.8475 1 5 -4 -2 606.250 24.7731 1 -5 -4 2 790.702 46.9439 1 -5 4 2 572.241 25.2461 1 5 4 -2 720.924 45.2044 1 5 4 -2 661.508 43.6396 1 -5 4 2 646.894 23.3825 1 -4 -4 2 345.243 31.7574 1 4 -4 -2 408.073 21.2136 1 4 -4 -2 391.969 21.0293 1 -4 -4 2 349.298 30.7727 1 -4 4 2 368.349 21.3189 1 -4 4 2 381.816 19.0981 1 4 4 -2 363.565 31.1574 1 4 4 -2 413.286 32.9739 1 -3 -4 2 430.599 32.8732 1 -3 -4 2 383.300 31.8284 1 3 -4 -2 414.338 23.1141 1 3 -4 -2 408.137 23.3484 1 -3 4 2 401.147 21.4309 1 3 4 -2 420.475 32.5791 1 -3 4 2 391.953 23.6109 1 3 4 -2 428.462 32.1756 1 -2 -4 2 3647.10 113.954 1 2 -4 -2 3576.03 103.267 1 -2 -4 2 3408.70 112.056 1 2 -4 -2 3673.02 112.372 1 2 4 -2 3635.33 114.641 1 -2 4 2 3710.15 104.571 1 -2 4 2 3598.33 108.444 1 2 4 -2 3616.96 113.821 1 -1 -4 2 590.211 33.9468 1 -1 -4 2 569.794 34.1061 1 1 -4 -2 623.153 31.9573 1 1 4 -2 590.947 35.4419 1 -1 4 2 618.966 30.6687 1 1 4 -2 612.589 34.8686 1 0 -4 -2 1141.63 48.5937 1 0 -4 2 1206.64 48.5375 1 0 -4 2 1165.53 48.4568 1 0 -4 -2 1211.15 49.2290 1 0 4 2 1233.25 48.8262 1 0 4 -2 1113.70 48.2999 1 -1 -4 -2 9.35346 10.9707 1 -1 -4 -2 8.66212 10.3754 1 1 -4 2 1.86005 7.22295 1 1 -4 2 -5.3329 8.74084 1 1 4 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9 -2 94.6311 18.6116 1 6 9 2 28.0790 34.5519 1 6 9 2 55.3543 24.5174 1 -7 -9 -2 68.4662 34.9898 1 7 -9 2 47.8317 13.5206 1 -7 -9 -2 151.541 33.0786 1 7 9 2 110.900 36.8196 1 -7 9 -2 64.7794 13.9271 1 7 9 2 59.3004 24.4541 1 -8 -9 -2 64.2747 27.6043 1 -8 -9 -2 -1.0500 26.8657 1 8 9 2 9.43825 21.6267 1 8 9 2 -3.8171 29.5145 1 -13 0 3 138.745 28.8617 1 -12 0 3 19.8631 17.1580 1 12 0 -3 4.78322 13.4048 1 -11 0 3 15.6925 14.3683 1 11 0 -3 39.6995 15.4268 1 -10 0 3 -5.7052 12.5030 1 -10 0 3 1.22100 12.8060 1 10 0 -3 -18.681 12.1556 1 10 0 -3 -11.777 10.7832 1 9 0 -3 166.663 22.0765 1 -9 0 3 141.621 23.4681 1 9 0 -3 168.762 23.4362 1 -9 0 3 173.519 25.3562 1 -8 0 3 0.35840 11.4866 1 -8 0 3 -4.9275 10.7410 1 8 0 -3 -5.0254 11.0680 1 8 0 -3 11.9025 9.23161 1 7 0 -3 962.271 41.9788 1 -7 0 3 1044.68 45.6607 1 -7 0 3 856.188 53.0695 1 7 0 -3 991.117 44.6692 1 -6 0 3 -0.7913 9.13206 1 -6 0 3 1.05191 8.83793 1 6 0 -3 11.5497 8.09786 1 6 0 -3 -1.6062 9.19973 1 5 0 -3 128.242 13.9788 1 5 0 -3 135.681 15.7555 1 -5 0 3 128.373 15.2756 1 -4 0 3 -6.5902 6.18195 1 4 0 -3 7.37770 6.30317 1 4 0 -3 10.5426 6.65640 1 -3 0 3 794.447 31.9041 1 3 0 -3 901.598 33.5072 1 3 0 -3 835.074 30.9812 1 2 0 -3 0.50803 3.90573 1 -2 0 3 -0.3953 4.18150 1 2 0 -3 -1.8954 4.92335 1 1 0 -3 1452.32 43.6740 1 1 0 -3 1433.31 41.8533 1 -1 0 3 1474.10 43.8454 1 0 0 -3 1.22432 2.57172 1 0 0 3 -1.1623 1.95846 1 0 0 3 -2.5230 3.22031 1 0 0 -3 0.35143 1.24991 1 1 0 3 1864.73 53.2966 1 1 0 3 1855.22 51.5402 1 2 0 3 9.45055 4.59512 1 2 0 3 3.28720 5.11514 1 -2 0 -3 6.70920 5.70705 1 3 0 3 1778.29 51.3604 1 3 0 3 1695.57 52.3831 1 -3 0 -3 1570.05 51.3722 1 4 0 3 4.82926 5.17527 1 -4 0 -3 4.72723 5.54112 1 -4 0 -3 -4.1821 5.36995 1 4 0 3 15.5398 6.72776 1 -5 0 -3 2097.01 66.9579 1 -5 0 -3 2174.32 67.5094 1 5 0 3 2101.19 84.1685 1 6 0 3 1.47360 8.22042 1 -6 0 -3 -6.2153 7.50109 1 6 0 3 -9.5288 7.03688 1 -6 0 -3 -10.457 8.70259 1 7 0 3 940.168 40.9576 1 -7 0 -3 937.273 42.3045 1 7 0 3 956.647 42.7184 1 -7 0 -3 956.670 43.8604 1 8 0 3 3.58007 10.1404 1 -8 0 -3 -18.473 7.53902 1 -8 0 -3 -14.757 12.1457 1 -9 0 -3 453.988 33.8700 1 9 0 3 413.194 31.0094 1 -9 0 -3 407.269 30.3168 1 9 0 3 470.362 29.9461 1 -10 0 -3 28.3142 14.1288 1 10 0 3 17.6891 12.1812 1 -10 0 -3 3.96875 13.8418 1 -11 0 -3 80.9131 22.8042 1 11 0 3 111.965 20.6550 1 -12 0 -3 1.97564 15.5622 1 -13 0 -3 198.887 32.5633 1 13 0 3 239.088 29.6938 1 -14 1 3 -14.598 24.7596 1 -13 -1 3 111.920 33.4416 1 13 1 -3 77.0723 30.8211 1 -13 1 3 106.580 22.8401 1 -12 -1 3 776.552 53.4213 1 12 -1 -3 801.703 44.0916 1 -12 1 3 722.597 42.6269 1 12 1 -3 778.942 51.1972 1 -11 -1 3 246.299 32.4758 1 -11 1 3 262.064 26.7459 1 11 1 -3 318.112 32.2742 1 10 -1 -3 19.5740 12.7907 1 -10 -1 3 7.58038 23.9260 1 -10 -1 3 0.51903 13.4674 1 -10 1 3 12.8522 13.1763 1 10 1 -3 44.6279 17.2956 1 -10 1 3 34.9138 13.4392 1 9 -1 -3 527.026 32.2130 1 9 -1 -3 586.109 30.0756 1 -9 -1 3 550.177 40.1917 1 -9 -1 3 560.061 39.5846 1 -9 1 3 523.042 33.0459 1 -9 1 3 534.367 32.3289 1 9 1 -3 551.894 47.4127 1 9 1 -3 548.170 37.9434 1 -8 -1 3 408.570 32.0886 1 8 -1 -3 550.320 28.0239 1 -8 -1 3 506.877 36.2283 1 8 -1 -3 539.290 31.1488 1 8 1 -3 575.328 36.6878 1 -8 1 3 549.757 31.0944 1 -8 1 3 540.928 31.4334 1 8 1 -3 479.349 35.4541 1 7 -1 -3 48.4657 11.9665 1 7 -1 -3 51.1784 10.6500 1 -7 -1 3 42.7141 14.4637 1 7 1 -3 45.0754 14.6463 1 7 1 -3 21.2882 11.8830 1 -7 1 3 52.4865 12.7046 1 -7 1 3 45.7376 12.2858 1 6 -1 -3 570.347 25.9522 1 6 -1 -3 579.501 28.6900 1 -6 -1 3 569.514 34.1138 1 -6 1 3 570.233 28.2022 1 -6 1 3 614.601 29.3618 1 6 1 -3 588.114 34.2151 1 6 1 -3 548.879 32.8830 1 5 -1 -3 884.677 42.8997 1 -5 -1 3 820.651 39.7908 1 5 -1 -3 838.157 33.6026 1 -5 1 3 894.387 33.8613 1 -5 1 3 794.067 32.5777 1 5 1 -3 846.189 39.9177 1 5 1 -3 874.227 39.0407 1 4 -1 -3 4282.97 115.619 1 4 -1 -3 4089.87 106.592 1 -4 -1 3 4058.94 117.395 1 -4 -1 3 4135.51 116.954 1 4 1 -3 4138.68 116.388 1 -4 1 3 3938.66 107.668 1 -4 1 3 4047.51 108.893 1 4 1 -3 4130.70 117.468 1 3 -1 -3 27.2063 7.82034 1 3 -1 -3 18.8365 6.03141 1 -3 -1 3 -1.9326 7.70635 1 -3 -1 3 9.22229 9.04426 1 3 1 -3 7.33496 8.85900 1 -3 1 3 19.0452 6.49522 1 -3 1 3 -0.7493 3.77893 1 2 -1 -3 190.967 13.4927 1 2 -1 -3 213.637 12.1602 1 -2 -1 3 205.668 16.3322 1 -2 -1 3 208.871 16.3407 1 2 1 -3 197.283 16.7266 1 -2 1 3 189.162 11.7599 1 2 1 -3 192.757 15.0910 1 1 -1 -3 2253.05 61.5052 1 1 -1 -3 2270.67 63.2387 1 -1 -1 3 2313.00 64.6577 1 -1 -1 3 2302.48 65.2307 1 1 1 -3 2357.99 65.7077 1 -1 1 3 1909.32 60.1175 1 1 1 -3 2320.02 63.9529 1 0 -1 -3 1806.01 52.8025 1 0 -1 3 1735.51 51.2387 1 0 -1 3 1769.87 50.5117 1 0 -1 -3 1815.96 55.7761 1 0 1 3 1721.98 52.4310 1 0 1 -3 1749.40 50.2134 1 0 1 3 1805.29 51.3490 1 -1 -1 -3 818.468 31.2086 1 1 -1 3 906.525 28.5548 1 -1 -1 -3 836.338 30.5521 1 1 -1 3 823.789 26.4107 1 1 1 3 791.476 29.9030 1 1 1 3 823.986 32.4638 1 -2 -1 -3 -1.1363 6.83569 1 2 -1 3 6.48029 4.15937 1 2 -1 3 6.31786 5.36507 1 -2 -1 -3 10.4658 7.83107 1 -2 1 -3 -3.1247 5.21644 1 2 1 3 8.31514 7.51909 1 -2 1 -3 4.46277 2.58635 1 2 1 3 7.88176 8.52538 1 3 -1 3 84.4976 8.29992 1 -3 -1 -3 83.6457 14.1631 1 3 -1 3 83.4671 9.82653 1 -3 -1 -3 109.485 14.9204 1 -3 1 -3 99.8309 10.7943 1 3 1 3 97.4312 14.5281 1 -3 1 -3 94.6783 9.46863 1 3 1 3 115.562 15.0970 1 4 -1 3 1766.27 47.8375 1 4 -1 3 1648.06 49.0091 1 -4 -1 -3 1488.15 55.9842 1 -4 1 -3 1625.22 48.6440 1 -4 1 -3 1668.70 48.4285 1 4 1 3 1666.94 56.4886 1 4 1 3 1691.50 58.2682 1 5 -1 3 83.7497 10.3105 1 5 -1 3 87.8172 19.0039 1 -5 -1 -3 109.405 16.6833 1 -5 1 -3 78.7155 11.2962 1 -5 1 -3 65.5792 10.7082 1 5 1 3 137.338 16.7201 1 5 1 3 91.8973 25.5653 1 -6 -1 -3 1984.64 69.6972 1 6 -1 3 1923.22 59.9787 1 6 -1 3 2015.55 58.6846 1 6 1 3 2007.05 68.7490 1 -6 1 -3 1805.20 59.6099 1 -6 1 -3 1991.41 59.7838 1 6 1 3 1892.84 69.0699 1 -7 -1 -3 246.416 25.2483 1 7 -1 3 233.156 17.1632 1 -7 -1 -3 283.223 25.7545 1 7 -1 3 225.990 18.9507 1 7 1 3 224.058 24.0105 1 -7 1 -3 195.896 18.9850 1 -7 1 -3 276.334 19.3133 1 7 1 3 227.102 23.2277 1 -8 -1 -3 1808.47 73.6314 1 8 -1 3 1830.46 60.3688 1 -8 -1 -3 1912.21 72.7192 1 8 -1 3 1826.67 62.6708 1 -8 1 -3 1784.58 63.0612 1 8 1 3 1863.44 73.0537 1 -8 1 -3 1905.64 62.5637 1 9 -1 3 497.322 30.2827 1 -9 -1 -3 555.650 39.3312 1 -9 -1 -3 525.459 36.1821 1 9 -1 3 513.864 28.4155 1 -9 1 -3 556.110 32.1548 1 -9 1 -3 513.662 29.7699 1 9 1 3 529.182 35.4754 1 9 1 3 500.259 36.7378 1 -10 -1 -3 581.890 43.0777 1 10 -1 3 584.825 32.2851 1 10 1 3 594.495 38.7580 1 -10 1 -3 527.455 32.9599 1 -11 -1 -3 245.631 34.9825 1 11 -1 3 206.998 20.6440 1 11 1 3 188.486 28.0564 1 -11 1 -3 176.867 24.1530 1 12 -1 3 41.9770 12.7283 1 -12 -1 -3 43.9843 24.7101 1 12 1 3 78.2334 19.8002 1 -12 1 -3 60.7500 18.7257 1 13 -1 3 -8.1012 11.3453 1 -13 -1 -3 19.4141 25.7544 1 -13 1 -3 35.4416 17.9588 1 14 -1 3 204.394 25.1897 1 -14 1 -3 288.679 36.8948 1 14 -2 -3 37.2118 15.2602 1 13 -2 -3 123.755 20.6026 1 -13 2 3 98.7047 17.6878 1 -12 -2 3 74.6393 26.6115 1 12 -2 -3 67.1268 17.2936 1 -12 2 3 42.9698 13.2981 1 12 2 -3 49.9667 24.5894 1 -11 -2 3 11.6840 18.6215 1 11 -2 -3 22.4451 11.0953 1 -11 2 3 29.2950 11.2587 1 11 2 -3 19.1981 17.5007 1 10 -2 -3 388.986 25.9206 1 -10 -2 3 333.244 35.7422 1 -10 -2 3 314.202 34.3218 1 10 2 -3 348.561 58.1870 1 -10 2 3 343.725 23.7909 1 -10 2 3 347.730 26.2205 1 10 2 -3 335.861 35.2189 1 9 -2 -3 297.540 22.7435 1 -9 -2 3 329.339 34.2712 1 9 -2 -3 305.709 19.2667 1 9 2 -3 315.630 32.7269 1 9 2 -3 285.163 31.5257 1 -9 2 3 294.126 22.5220 1 -9 2 3 311.556 21.5442 1 8 -2 -3 -6.1322 6.08034 1 8 -2 -3 8.45406 9.00348 1 -8 -2 3 1.19892 13.4500 1 8 2 -3 -14.233 13.9288 1 -8 2 3 -6.2270 8.49145 1 8 2 -3 3.59052 13.3579 1 -8 2 3 2.28663 8.00349 1 -7 -2 3 480.761 36.3948 1 7 -2 -3 447.851 25.2315 1 -7 -2 3 622.285 39.5610 1 7 -2 -3 491.248 21.6475 1 -7 2 3 564.227 26.9293 1 7 2 -3 525.814 36.1024 1 7 2 -3 500.647 38.2096 1 -7 2 3 456.443 24.9622 1 -6 -2 3 1225.14 55.5951 1 6 -2 -3 1244.60 38.9330 1 -6 -2 3 1276.07 56.6603 1 6 -2 -3 1187.68 41.5806 1 -6 2 3 1191.54 41.5235 1 6 2 -3 1262.17 54.9726 1 6 2 -3 1162.31 55.3308 1 -5 -2 3 62.5159 17.3974 1 5 -2 -3 56.8084 8.18894 1 5 -2 -3 33.0343 8.26552 1 -5 -2 3 48.2699 14.7886 1 -5 2 3 60.7009 11.1192 1 -5 2 3 54.4733 10.0498 1 5 2 -3 40.8946 14.2374 1 5 2 -3 51.0584 14.2596 1 4 -2 -3 76.8578 8.53456 1 -4 -2 3 66.6996 14.4705 1 4 -2 -3 87.9874 10.4848 1 -4 -2 3 73.5963 16.0978 1 -4 2 3 72.3668 8.51430 1 4 2 -3 118.596 19.1156 1 -4 2 3 88.5275 11.0516 1 4 2 -3 107.748 18.6333 1 3 -2 -3 97.2948 9.70278 1 -3 -2 3 149.932 18.4464 1 3 -2 -3 115.018 12.5767 1 -3 2 3 100.289 11.9146 1 -3 2 3 90.6859 9.03932 1 2 -2 -3 174.624 14.2516 1 -2 -2 3 173.206 18.4517 1 2 -2 -3 175.692 13.3060 1 2 2 -3 185.710 18.7996 1 2 2 -3 180.107 17.8944 1 -2 2 3 185.621 13.0518 1 1 -2 -3 236.281 17.6759 1 -1 -2 3 258.133 19.9982 1 -1 -2 3 240.590 19.3499 1 1 -2 -3 218.759 16.1322 1 -1 2 3 209.753 15.7327 1 1 2 -3 246.081 18.5844 1 1 2 -3 266.181 20.5135 1 0 -2 3 3347.47 91.9448 1 0 -2 -3 3184.66 91.9942 1 0 -2 3 3373.93 92.0575 1 0 -2 -3 3313.10 92.9472 1 0 2 3 3337.44 94.0549 1 0 2 3 3279.44 91.6291 1 0 2 -3 3320.60 92.3801 1 1 -2 3 4209.42 106.023 1 -1 -2 -3 3919.89 111.932 1 1 -2 3 3942.09 105.333 1 -1 -2 -3 4033.41 111.338 1 1 2 3 4089.80 113.193 1 1 2 3 4012.92 110.785 1 -1 2 -3 3781.61 105.186 1 2 -2 3 7437.47 186.529 1 -2 -2 -3 7967.69 198.328 1 2 -2 3 7229.80 185.943 1 -2 -2 -3 7719.84 198.342 1 -2 2 -3 7525.51 184.857 1 2 2 3 7605.16 198.324 1 -2 2 -3 6990.75 185.908 1 2 2 3 8026.39 197.983 1 -3 -2 -3 2004.41 68.4168 1 -3 -2 -3 1972.58 68.6095 1 3 -2 3 2087.04 55.1638 1 3 -2 3 2051.12 53.9218 1 3 2 3 2087.97 68.2695 1 -3 2 -3 2024.29 53.5066 1 3 2 3 2016.55 69.2697 1 -3 2 -3 1875.82 54.3985 1 4 -2 3 1470.17 39.1495 1 -4 -2 -3 1421.61 55.9100 1 4 -2 3 1496.23 40.4952 1 -4 -2 -3 1456.88 56.4658 1 -4 2 -3 1410.84 40.2904 1 4 2 3 1450.23 55.5895 1 -4 2 -3 1405.69 39.6645 1 4 2 3 1393.12 56.0286 1 -5 -2 -3 236.166 23.6490 1 5 -2 3 246.923 12.5278 1 5 -2 3 251.469 11.0729 1 -5 -2 -3 255.596 24.8003 1 5 2 3 242.964 24.3740 1 -5 2 -3 257.139 13.1028 1 5 2 3 213.166 39.6710 1 -5 2 -3 229.736 12.5303 1 -6 -2 -3 2697.98 92.6721 1 6 -2 3 2649.47 71.7699 1 6 -2 3 2737.70 70.0582 1 -6 -2 -3 2718.03 93.6606 1 6 2 3 2603.25 90.9153 1 6 2 3 2777.06 93.8707 1 -6 2 -3 2817.36 72.3570 1 -6 2 -3 2591.00 72.1804 1 7 -2 3 6.48633 6.91643 1 7 -2 3 8.99594 6.78639 1 -7 -2 -3 -14.016 10.6376 1 -7 2 -3 2.05456 7.44051 1 7 2 3 10.9098 14.7661 1 7 2 3 -0.1561 12.0355 1 -7 2 -3 -6.8111 7.08390 1 8 -2 3 687.287 25.8618 1 8 -2 3 675.333 28.4825 1 -8 -2 -3 648.593 41.8830 1 -8 2 -3 706.374 27.9700 1 -8 2 -3 741.133 31.9229 1 8 2 3 667.749 44.4868 1 8 2 3 739.013 42.7941 1 9 -2 3 -10.855 7.39530 1 -9 -2 -3 10.2879 14.0549 1 -9 -2 -3 -8.9219 14.5364 1 9 -2 3 -0.5146 6.21782 1 9 2 3 6.24842 14.5308 1 -9 2 -3 7.30146 7.61217 1 9 2 3 31.5139 15.4547 1 -9 2 -3 -3.5022 8.37557 1 10 -2 3 51.5050 13.6820 1 -10 -2 -3 30.7507 19.4808 1 10 -2 3 60.2722 10.2876 1 -10 2 -3 45.8378 11.2585 1 10 2 3 42.2448 17.5492 1 -11 -2 -3 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50.2765 25.5665 1 -3 1 22 38.6162 31.2875 1 -3 1 22 6.79611 18.7990 1 3 1 -22 39.1290 25.3942 1 3 1 -22 44.1012 25.1440 1 2 -1 -22 55.4139 28.6351 1 -2 -1 22 40.6646 34.4748 1 2 -1 -22 31.9108 20.7845 1 -2 -1 22 92.2554 23.5380 1 2 1 -22 61.3176 25.9689 1 -2 1 22 85.5699 31.7523 1 2 1 -22 146.308 31.9710 1 -2 1 22 52.4165 23.0420 1 1 -1 -22 -11.923 21.8757 1 1 -1 -22 67.1621 24.9938 1 -1 -1 22 -2.4790 24.9595 1 -1 -1 22 34.6668 19.4352 1 -1 1 22 -7.5719 25.5293 1 1 1 -22 45.9150 23.3576 1 -1 1 22 35.8434 18.0569 1 1 1 -22 45.3020 21.3296 1 0 -1 -22 50.8486 22.4775 1 0 -1 -22 34.5987 23.6374 1 0 -1 22 -19.238 20.1632 1 0 -1 22 7.04529 20.2476 1 0 1 -22 -20.844 22.2776 1 0 1 22 11.4393 24.4910 1 0 1 22 51.2360 21.1722 1 0 1 -22 3.60786 19.1572 1 -1 -1 -22 8.23062 25.1359 1 1 -1 22 59.0065 22.6359 1 -1 -1 -22 1.78288 21.9439 1 -1 1 -22 -7.8306 22.8871 1 1 1 22 10.8080 24.6344 1 1 1 22 15.5113 19.8856 1 -2 -1 -22 44.5589 29.1187 1 -2 -1 -22 100.548 30.8120 1 2 1 22 30.6383 21.0682 1 -2 1 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51.2379 1 0 2 22 619.339 48.5243 1 0 2 -22 609.038 54.8760 1 0 2 22 556.309 57.6107 1 -1 -2 -22 294.668 43.6267 1 -1 -2 -22 404.504 53.1893 1 1 2 22 307.732 50.5155 1 -1 2 -22 276.381 41.3620 1 1 2 22 313.468 35.4877 1 -2 -2 -22 389.565 52.6773 1 -2 -2 -22 281.102 42.3382 1 2 2 22 298.622 39.3479 1 2 2 22 295.094 47.9645 1 -3 -2 -22 270.183 44.9709 1 3 2 22 259.950 54.9592 1 -6 -3 22 41.6102 25.3747 1 -6 -3 22 39.4892 40.2896 1 -5 -3 22 -4.9443 29.7672 1 -5 -3 22 49.3140 23.4999 1 5 3 -22 11.7510 24.8929 1 -4 -3 22 3.20728 25.7388 1 -4 -3 22 25.6942 21.9211 1 4 3 -22 27.0097 21.9286 1 4 3 -22 58.0386 25.1755 1 -3 -3 22 41.0860 21.0191 1 -3 -3 22 64.0069 30.4605 1 3 3 -22 71.3676 29.9135 1 -3 3 22 15.6908 38.4354 1 -2 -3 22 27.9727 23.8885 1 2 -3 -22 11.4911 21.4573 1 -2 3 22 38.2374 32.0720 1 2 3 -22 35.5242 27.2402 1 1 -3 -22 27.6985 22.0770 1 1 -3 -22 -1.1138 21.7836 1 -1 3 22 -49.848 23.0279 1 1 3 -22 -0.8017 28.9132 1 -1 3 22 40.1773 20.3031 1 0 -3 -22 19.5768 21.6085 1 0 -3 -22 10.3876 22.4520 1 0 3 22 102.490 33.8937 1 0 3 22 51.4426 21.9627 1 -1 -3 -22 19.7081 25.0707 1 -1 -3 -22 51.3870 22.2520 1 1 3 22 12.8436 19.3414 1 -2 -3 -22 -0.8562 29.1170 1 -2 -3 -22 -22.735 20.8571 1 2 3 22 4.88664 16.9876 1 2 3 22 11.1416 22.4763 1 -3 -3 -22 63.4839 32.6279 1 -6 -4 22 25.6925 58.4696 1 6 4 -22 46.0023 33.1830 1 -5 -4 22 11.2805 31.9016 1 5 4 -22 12.4592 27.5937 1 5 4 -22 1.45178 25.0647 1 4 4 -22 232.078 52.5768 1 -1 4 22 116.633 39.9778 1 0 -4 -22 452.989 51.5193 1 0 -4 -22 567.389 76.9420 1 0 4 22 528.182 46.9854 1 0 4 22 556.095 60.3139 1 -1 -4 -22 21.2353 23.6434 1 -1 -4 -22 75.9155 34.9979 1 1 4 22 44.2974 31.6673 1 1 4 22 26.3108 20.3991 1 -2 -4 -22 18.1070 23.4580 1 -2 -4 -22 25.5646 29.7797 1 2 4 22 12.0528 29.0811 1 2 4 22 47.5417 37.2944 1 -3 -4 -22 54.4383 28.2615 1 -3 -4 -22 74.5984 38.7983 1 3 4 22 38.6003 50.7824 1 -2 -5 -22 31.2880 40.8228 1 2 5 22 55.4568 46.5518 1 2 5 22 29.0839 21.2692 1 -3 -5 -22 -8.6866 52.2527 1 3 5 22 -60.338 32.8907 1 -4 0 23 7.15660 17.3402 1 4 0 -23 -14.105 36.8059 1 -4 0 23 -19.933 30.6485 1 4 0 -23 35.9848 23.4239 1 -3 0 23 106.861 26.4775 1 -3 0 23 50.7616 30.2114 1 3 0 -23 104.772 31.3865 1 3 0 -23 85.0560 30.1935 1 -2 0 23 -53.643 26.8407 1 2 0 -23 -26.509 19.5295 1 -2 0 23 -9.9913 18.8782 1 2 0 -23 6.00223 22.4138 1 1 0 -23 55.4838 28.9481 1 -1 0 23 -2.5638 31.0595 1 -1 0 23 58.8816 24.6392 1 1 0 -23 19.5371 22.8885 1 0 0 -23 -26.320 26.3041 1 0 0 -23 5.20746 21.3053 1 0 0 23 28.3090 25.5631 1 0 0 23 -8.0135 15.7823 1 -1 0 -23 25.5717 25.4248 1 1 0 23 27.1396 19.2901 1 -5 -1 23 88.9146 45.6927 1 -4 -1 23 30.8510 31.4697 1 -4 -1 23 -18.307 19.7519 1 -4 1 23 15.1995 35.2703 1 4 1 -23 -16.293 18.9889 1 4 1 -23 -12.929 22.0830 1 3 -1 -23 185.706 36.5774 1 -3 -1 23 241.434 81.4031 1 -3 -1 23 137.395 30.5436 1 3 -1 -23 107.157 27.4665 1 3 1 -23 89.1215 32.1704 1 -3 1 23 107.044 25.6833 1 -3 1 23 94.6441 39.7372 1 -2 -1 23 417.044 42.0598 1 2 -1 -23 427.797 46.9563 1 -2 -1 23 473.649 61.2586 1 2 -1 -23 371.082 46.3389 1 -2 1 23 359.363 51.9706 1 2 1 -23 412.874 45.8766 1 -2 1 23 351.452 38.3292 1 2 1 -23 408.585 49.0867 1 1 -1 -23 222.970 40.0491 1 1 -1 -23 207.820 39.1600 1 -1 -1 23 307.274 48.7114 1 -1 -1 23 169.825 30.0190 1 1 1 -23 164.466 34.4359 1 1 1 -23 233.092 43.3407 1 -1 1 23 153.029 60.8115 1 -1 1 23 208.412 34.5506 1 0 -1 -23 215.841 39.4099 1 0 -1 -23 287.016 46.5705 1 0 -1 23 189.059 33.7558 1 0 1 -23 245.003 41.2431 1 0 1 23 275.357 48.4623 1 0 1 23 215.672 34.5859 1 -1 -1 -23 -16.480 23.1993 1 -1 -1 -23 27.5167 23.0048 1 -1 1 -23 -20.557 34.6499 1 1 1 23 -12.803 15.1802 1 1 1 23 50.6599 34.9649 1 -2 -1 -23 521.227 58.3746 1 -5 -2 23 61.1756 37.4220 1 -5 -2 23 20.6171 24.1987 1 5 2 -23 6.81247 28.5335 1 -4 -2 23 67.5305 26.6931 1 -4 -2 23 36.4639 31.6428 1 4 2 -23 -6.5286 22.2130 1 4 2 -23 63.5795 38.8897 1 -3 -2 23 18.1294 20.5782 1 -3 -2 23 11.6081 26.0253 1 -3 2 23 -2.6720 30.6799 1 3 2 -23 31.9461 27.3356 1 3 2 -23 22.1472 24.9028 1 -2 -2 23 -12.237 19.3784 1 2 -2 -23 13.5128 21.7362 1 2 -2 -23 27.7269 24.3524 1 -2 -2 23 10.9992 31.2110 1 2 2 -23 -38.266 20.0813 1 -2 2 23 19.9529 34.6489 1 2 2 -23 33.1227 29.1711 1 -2 2 23 20.8800 16.5952 1 1 -2 -23 -31.557 17.5408 1 1 -2 -23 -7.7927 20.5554 1 -1 2 23 7.72250 27.5843 1 -1 2 23 10.3035 17.1621 1 1 2 -23 -10.374 24.8271 1 0 -2 -23 112.563 34.8173 1 0 -2 -23 86.0647 28.2418 1 0 2 23 109.383 25.1223 1 0 2 23 116.172 38.0464 1 -1 -2 -23 60.8122 27.7102 1 -1 -2 -23 -5.5692 23.0936 1 1 2 23 -0.0078 14.3893 1 1 2 23 -15.953 24.8985 1 -2 -2 -23 124.504 37.5503 1 -5 -3 23 15.7779 24.5904 1 -5 -3 23 -33.764 30.8977 1 5 3 -23 33.1215 25.9197 1 -4 -3 23 571.323 64.7244 1 4 3 -23 600.798 76.9848 1 4 3 -23 480.063 54.9626 1 3 3 -23 30.4639 32.2487 1 1 -3 -23 16.4505 27.7167 1 -1 3 23 -8.7251 27.1793 1 -1 3 23 62.9163 20.1175 1 0 -3 -23 863.000 66.6045 1 0 -3 -23 721.601 62.0237 1 0 3 23 729.433 68.7500 1 0 3 23 710.888 53.3021 1 -1 -3 -23 -1.8003 29.1724 1 -1 -3 -23 -6.3238 24.2239 1 1 3 23 4.75947 34.1039 1 1 3 23 60.8660 27.6490 1 -2 -3 -23 -32.580 29.4060 1 -2 -3 -23 18.3167 23.6420 1 2 3 23 -24.637 24.7330 1 -1 -4 -23 -14.119 30.2589 1 1 4 23 63.0032 38.7405 1 1 4 23 46.5951 22.7718 1 -2 -4 -23 -16.262 21.5807 1 -2 -4 -23 -36.487 28.7907 1 2 4 23 -20.803 30.4305 1 3 0 -24 -15.265 21.5760 1 -3 0 24 19.3171 20.7345 1 -3 0 24 -46.011 28.2563 1 3 0 -24 38.2563 31.2215 1 2 0 -24 623.784 58.8845 1 -2 0 24 502.840 72.7424 1 -2 0 24 536.125 62.0879 1 2 0 -24 506.504 53.1992 1 -1 0 24 -14.519 24.8761 1 1 0 -24 -20.486 18.8133 1 -1 0 24 8.95397 15.7169 1 1 0 -24 -10.025 23.4389 1 0 0 -24 192.516 40.8215 1 -4 -1 24 125.861 33.9075 1 4 1 -24 101.891 33.2853 1 -3 -1 24 -56.333 28.4946 1 -3 -1 24 18.1135 20.5481 1 3 1 -24 48.0704 26.0304 1 -3 1 24 5.16825 37.8998 1 3 1 -24 28.7257 28.3958 1 -2 -1 24 108.565 28.3785 1 2 -1 -24 74.1665 33.7534 1 2 -1 -24 53.3150 24.5631 1 -2 -1 24 72.1273 32.1926 1 2 1 -24 120.257 31.0840 1 2 1 -24 43.9484 27.5667 1 -2 1 24 36.2532 32.7101 1 -2 1 24 57.5769 22.5422 1 1 -1 -24 -20.700 17.9867 1 1 -1 -24 31.0148 26.9325 1 -1 1 24 -2.1086 20.7270 1 1 1 -24 -1.3320 29.9252 1 -1 1 24 46.7181 34.3776 1 0 -1 -24 17.3168 28.3940 1 0 -1 -24 6.07275 24.5930 1 0 1 24 16.8963 26.1370 1 0 1 24 33.8564 21.0415 1 -4 -2 24 219.483 43.4871 1 -4 -2 24 207.581 44.9260 1 4 2 -24 209.320 42.9090 1 4 2 -24 152.142 35.6584 1 -3 -2 24 89.7735 51.3383 1 3 2 -24 52.6996 28.4318 1 3 2 -24 51.1577 34.3246 1 -2 2 24 53.8915 50.5698 1 1 -2 -24 59.0143 26.2546 1 1 -2 -24 63.6778 30.7447 1 -1 2 24 85.3795 23.7324 1 -1 2 24 90.9834 50.6809 1 0 -2 -24 234.819 40.5108 1 0 -2 -24 272.028 45.1505 1 0 2 24 301.926 50.8909 1 0 2 24 268.239 59.9199 1 -1 -2 -24 -8.1591 21.5189 1 -1 -2 -24 36.9699 34.5337 1 0 -3 -24 52.9672 30.3486 1 0 3 24 7.13789 19.2612 1 0 3 24 60.4465 37.9870 1 -1 -3 -24 46.8391 27.2526 1 -1 -3 -24 -20.479 29.7401 1 1 3 24 20.7928 36.7170 1 -3 0 25 209.516 35.0381 1 -2 0 25 -23.483 29.6709 1 2 0 -25 5.50712 20.5454 1 2 0 -25 8.56161 30.9072 1 -3 -1 25 23.3675 36.7568 1 3 1 -25 10.8564 36.0244 1 2 -1 -25 239.129 53.8488 1 -2 1 25 293.313 65.0020 1 -2 1 25 273.999 39.4249 1 1 -1 -25 34.4895 31.9932 1 1 -1 -25 58.1333 25.4899 1 -1 1 25 94.0885 40.5490 1 -1 2 25 10.5461 17.7384 1 0 -2 -25 107.582 46.8068 1 0 2 25 52.0996 37.3268 1 0 0 0 0.00 0.00 0 ; _shelx_hkl_checksum 33094 # start Validation Reply Form _vrf_PLAT029_shelx ; PROBLEM: _diffrn_measured_fraction_theta_full value Low . 0.835 Why? RESPONSE: The sample was a single crystal grain in a coarse polycrystalline material placed in a long sealed capillary. Goniometer rotations were restricted by the capillary, and sample signal was mixed with the signal of small surrounding grains. ; _vrf_PLAT601_shelx ; PROBLEM: Structure Contains Solvent Accessible VOIDS of . 118 Ang**3 RESPONSE: This crystal structure is expected to be porous and contain fairly large structural voild. The aim of the synthesis of this material was gas sorption applications. ; _vrf_PLAT911_shelx ; PROBLEM: Missing FCF Refl Between Thmin & STh/L= 0.600 696 Report RESPONSE: The sample was a single crystal grain in a coarse polycrystalline material placed in a long sealed capillary. Some reflections had to be omitted because of overlap with the stong glass amorphous peaks or with peaks of other surrounding grains. ; # end Validation Reply Form