# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2013 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_NILOO31JULY _audit_creation_method SHELXL-2013 _chemical_name_systematic ; ? ; _chemical_name_common ; N2,N2',N6,N6'-tetrakis(5-tert-butyl-1H pyrazol-3-yl)- 4,4'-bipyridine-2,2',6,6'-tetracarboxamide ; _chemical_melting_point ? _chemical_formula_moiety ; C42 H52 N14 O4, 3(C3 H7 NO), 3(H2 O) ; _chemical_formula_sum 'C51 H79 N17 O10' _chemical_formula_weight 1090.31 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system orthorhombic _space_group_IT_number 33 _space_group_name_H-M_alt 'P n a 21' _space_group_name_Hall 'P 2c -2n' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, z' '-x+1/2, y+1/2, z+1/2' _cell_length_a 17.4186(11) _cell_length_b 32.397(2) _cell_length_c 10.5410(7) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 5948.5(7) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 9123 _cell_measurement_theta_min 2.34 _cell_measurement_theta_max 23.53 _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.217 _exptl_crystal_F_000 2336 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.5 _exptl_crystal_size_mid 0.5 _exptl_crystal_size_min 0.45 _exptl_absorpt_coefficient_mu 0.087 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6778 _exptl_absorpt_correction_T_max 0.7450 _exptl_absorpt_process_details Bruker-SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'sealed tube' _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 122649 _diffrn_reflns_av_unetI/netI 0.0194 _diffrn_reflns_av_R_equivalents 0.0499 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -36 _diffrn_reflns_limit_k_max 34 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_theta_min 1.717 _diffrn_reflns_theta_max 23.846 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measured_fraction_theta_full 0.848 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_Laue_measured_fraction_full 0.848 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_point_group_measured_fraction_full 0.844 _reflns_number_total 9101 _reflns_number_gt 8716 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.880 _reflns_Friedel_fraction_max 0.993 _reflns_Friedel_fraction_full 0.840 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; ? ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1472P)^2^+9.9438P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0029(10) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_abs_structure_details ; Flack x determined using 3955 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons and Flack (2004), Acta Cryst. A60, s61). ; _refine_ls_abs_structure_Flack 0.4(2) _chemical_absolute_configuration ? _refine_ls_number_reflns 9101 _refine_ls_number_parameters 720 _refine_ls_number_restraints 10 _refine_ls_R_factor_all 0.0848 _refine_ls_R_factor_gt 0.0818 _refine_ls_wR_factor_ref 0.2439 _refine_ls_wR_factor_gt 0.2401 _refine_ls_goodness_of_fit_ref 1.120 _refine_ls_restrained_S_all 1.119 _refine_ls_shift/su_max 0.097 _refine_ls_shift/su_mean 0.002 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 O1 O 0.2967(3) 0.38148(15) 0.5541(6) 0.0361(12) Uani 1 1 d . . . . . O2 O 0.2229(3) 0.16954(16) 0.6375(7) 0.0445(15) Uani 1 1 d . . . . . O3 O -0.0567(3) 0.39968(17) 0.3740(7) 0.0488(16) Uani 1 1 d . . . . . O4 O -0.0628(3) 0.18534(16) 0.3076(6) 0.0377(13) Uani 1 1 d . . . . . O5 O 0.4622(3) 0.25936(17) 0.7275(6) 0.0390(13) Uani 1 1 d D . . . . H5A H 0.486(5) 0.2352(14) 0.719(9) 0.058 Uiso 1 1 d D U . . . H5B H 0.482(5) 0.277(2) 0.674(8) 0.058 Uiso 1 1 d D U . . . O6 O 1.0252(3) 0.3237(2) 0.0875(6) 0.0529(16) Uani 1 1 d . . . . . O7 O 0.0412(4) 0.0738(2) 0.1367(11) 0.086(3) Uani 1 1 d . . . . . O8 O 0.2151(3) 0.21073(17) 0.2470(7) 0.0438(14) Uani 1 1 d D . . . . H8A H 0.264(2) 0.210(3) 0.234(10) 0.066 Uiso 1 1 d D U . . . H8B H 0.197(5) 0.192(3) 0.299(9) 0.066 Uiso 1 1 d D U . . . O9 O 0.0985(4) 0.16289(19) 0.3485(7) 0.0506(16) Uani 1 1 d D . . . . H9A H 0.125(5) 0.146(3) 0.300(9) 0.076 Uiso 1 1 d D U . . . H9B H 0.050(2) 0.164(3) 0.324(10) 0.076 Uiso 1 1 d D U . . . O10 O 0.6353(3) 0.14528(18) 0.8134(6) 0.0441(14) Uiso 1 1 d . . . . . N1 N 0.5705(3) 0.36543(19) 0.6405(7) 0.0358(15) Uani 1 1 d . . . . . H1 H 0.6196 0.3606 0.6537 0.043 Uiso 1 1 calc R U . . . N2 N 0.5178(3) 0.33546(18) 0.6360(6) 0.0313(13) Uani 1 1 d . . . . . N3 N 0.3847(3) 0.33196(17) 0.6064(6) 0.0290(13) Uani 1 1 d . . . . . H3 H 0.3891 0.3055 0.6240 0.035 Uiso 1 1 calc R U . . . N4 N 0.2820(3) 0.27319(17) 0.6012(5) 0.0243(12) Uani 1 1 d . . . . . N5 N 0.3391(3) 0.20046(17) 0.6589(6) 0.0253(13) Uani 1 1 d . . . . . H5 H 0.3623 0.2246 0.6571 0.030 Uiso 1 1 calc R U . . . N6 N 0.4559(3) 0.17220(18) 0.7259(6) 0.0269(13) Uani 1 1 d . . . . . N7 N 0.4846(4) 0.13396(18) 0.7430(7) 0.0351(15) Uani 1 1 d . . . . . H7 H 0.5322 0.1289 0.7662 0.042 Uiso 1 1 calc R U . . . N8 N -0.3096(4) 0.4316(2) 0.2266(8) 0.0449(18) Uani 1 1 d . . . . . H8 H -0.3573 0.4365 0.2038 0.054 Uiso 1 1 calc R U . . . N9 N -0.2853(3) 0.39407(18) 0.2658(7) 0.0359(15) Uani 1 1 d . . . . . N10 N -0.1686(3) 0.36577(18) 0.3330(6) 0.0312(14) Uani 1 1 d . . . . . H10 H -0.1916 0.3416 0.3368 0.037 Uiso 1 1 calc R U . . . N11 N -0.0939(3) 0.29274(17) 0.3503(5) 0.0259(13) Uani 1 1 d . . . . . N12 N -0.1707(4) 0.22433(18) 0.2869(5) 0.0296(13) Uani 1 1 d . . . . . H12 H -0.1890 0.2496 0.2906 0.036 Uiso 1 1 calc R U . . . N13 N -0.2913(3) 0.20316(18) 0.2138(5) 0.0273(13) Uani 1 1 d . . . . . N14 N -0.3268(3) 0.16678(17) 0.1904(6) 0.0266(13) Uani 1 1 d . . . . . H14 H -0.3747 0.1646 0.1645 0.032 Uiso 1 1 calc R U . . . N15 N 0.8991(4) 0.3240(2) 0.0354(6) 0.0430(17) Uani 1 1 d . . . . . N16 N 0.0113(7) 0.1309(3) 0.0274(10) 0.078(3) Uani 1 1 d . . . . . C47 C -0.0966(4) 0.2186(2) 0.3165(6) 0.0262(15) Uani 1 1 d . . . . . N18 N 0.6917(4) 0.2049(2) 0.8808(6) 0.0371(15) Uani 1 1 d . . . . . C1 C 0.5512(8) 0.4743(4) 0.531(3) 0.143(10) Uani 1 1 d . . . . . H1A H 0.4975 0.4792 0.5549 0.214 Uiso 1 1 calc R U . . . H1B H 0.5532 0.4627 0.4452 0.214 Uiso 1 1 calc R U . . . H1C H 0.5795 0.5004 0.5333 0.214 Uiso 1 1 calc R U . . . C2 C 0.6673(6) 0.4355(3) 0.5799(16) 0.078(4) Uani 1 1 d . . . . . H2A H 0.6947 0.4619 0.5763 0.117 Uiso 1 1 calc R U . . . H2B H 0.6643 0.4236 0.4946 0.117 Uiso 1 1 calc R U . . . H2C H 0.6948 0.4165 0.6361 0.117 Uiso 1 1 calc R U . . . C3 C 0.5833(16) 0.4600(6) 0.7561(19) 0.175(12) Uani 1 1 d . . . . . H3A H 0.5899 0.4900 0.7514 0.263 Uiso 1 1 calc R U . . . H3B H 0.6233 0.4481 0.8104 0.263 Uiso 1 1 calc R U . . . H3C H 0.5327 0.4536 0.7918 0.263 Uiso 1 1 calc R U . . . C4 C 0.5891(5) 0.4423(3) 0.6292(12) 0.058(3) Uani 1 1 d . . . . . C5 C 0.5419(5) 0.4034(2) 0.6232(9) 0.0398(19) Uani 1 1 d . . . . . C6 C 0.4641(5) 0.3975(2) 0.6042(10) 0.043(2) Uani 1 1 d . . . . . H6 H 0.4264 0.4181 0.5879 0.052 Uiso 1 1 calc R U . . . C7 C 0.4528(4) 0.3555(2) 0.6139(7) 0.0267(15) Uani 1 1 d . . . . . C8 C 0.3144(4) 0.3451(2) 0.5759(7) 0.0253(15) Uani 1 1 d . . . . . C9 C 0.2565(4) 0.3105(2) 0.5675(6) 0.0209(13) Uani 1 1 d . . . . . C10 C 0.1828(4) 0.3173(2) 0.5211(6) 0.0249(14) Uani 1 1 d . . . . . H10A H 0.1670 0.3443 0.4975 0.030 Uiso 1 1 calc R U . . . C11 C 0.1330(4) 0.2844(2) 0.5098(6) 0.0245(14) Uani 1 1 d . . . . . C12 C 0.1589(4) 0.2457(2) 0.5492(6) 0.0239(14) Uani 1 1 d . . . . . H12A H 0.1259 0.2224 0.5461 0.029 Uiso 1 1 calc R U . . . C13 C 0.2335(4) 0.2419(2) 0.5928(6) 0.0266(15) Uani 1 1 d . . . . . C14 C 0.2635(4) 0.1997(2) 0.6321(7) 0.0256(14) Uani 1 1 d . . . . . C15 C 0.3834(4) 0.1659(2) 0.6894(7) 0.0284(16) Uani 1 1 d . . . . . C16 C 0.3655(5) 0.1241(2) 0.6846(10) 0.044(2) Uani 1 1 d . . . . . H16 H 0.3178 0.1120 0.6616 0.053 Uiso 1 1 calc R U . . . C17 C 0.4313(5) 0.1042(3) 0.7201(12) 0.057(3) Uani 1 1 d . . . . . C18 C 0.4481(6) 0.0591(3) 0.7357(19) 0.093(5) Uani 1 1 d . . . . . C19 C 0.4940(14) 0.0510(4) 0.8455(17) 0.135(8) Uani 1 1 d . . . . . H19A H 0.5394 0.0689 0.8446 0.203 Uiso 1 1 calc R U . . . H19B H 0.5102 0.0220 0.8450 0.203 Uiso 1 1 calc R U . . . H19C H 0.4638 0.0565 0.9221 0.203 Uiso 1 1 calc R U . . . C20 C 0.506(2) 0.0474(6) 0.617(2) 0.217(17) Uani 1 1 d . . . . . H20A H 0.4992 0.0183 0.5937 0.326 Uiso 1 1 calc R U . . . H20B H 0.5593 0.0522 0.6420 0.326 Uiso 1 1 calc R U . . . H20C H 0.4936 0.0648 0.5433 0.326 Uiso 1 1 calc R U . . . C21 C 0.3817(10) 0.0366(4) 0.725(7) 0.50(6) Uani 1 1 d . . . . . H21A H 0.3731 0.0210 0.8034 0.744 Uiso 1 1 calc R U . . . H21B H 0.3861 0.0175 0.6535 0.744 Uiso 1 1 calc R U . . . H21C H 0.3384 0.0554 0.7106 0.744 Uiso 1 1 calc R U . . . C22 C 0.0561(4) 0.2885(2) 0.4522(6) 0.0248(15) Uani 1 1 d . . . . . C23 C 0.0173(4) 0.3259(2) 0.4389(6) 0.0246(14) Uani 1 1 d . . . . . H23 H 0.0409 0.3508 0.4659 0.030 Uiso 1 1 calc R U . . . C24 C -0.0553(4) 0.3268(2) 0.3866(6) 0.0234(14) Uani 1 1 d . . . . . C25 C -0.0937(4) 0.3675(2) 0.3665(7) 0.0322(16) Uani 1 1 d . . . . . C26 C -0.2120(4) 0.3996(2) 0.2930(7) 0.0281(15) Uani 1 1 d . . . . . C27 C -0.1903(4) 0.4402(2) 0.2740(9) 0.042(2) Uani 1 1 d . . . . . H27 H -0.1414 0.4519 0.2907 0.051 Uiso 1 1 calc R U . . . C28 C -0.2547(4) 0.4606(2) 0.2252(9) 0.043(2) Uani 1 1 d . . . . . C29 C -0.2688(6) 0.5045(3) 0.1881(12) 0.059(3) Uani 1 1 d . . . . . C30 C -0.3267(13) 0.5248(4) 0.2813(13) 0.114(7) Uani 1 1 d . . . . . H30A H -0.3113 0.5187 0.3688 0.171 Uiso 1 1 calc R U . . . H30B H -0.3782 0.5137 0.2657 0.171 Uiso 1 1 calc R U . . . H30C H -0.3271 0.5547 0.2682 0.171 Uiso 1 1 calc R U . . . C31 C -0.1970(9) 0.5275(5) 0.189(4) 0.27(3) Uani 1 1 d . . . . . H31A H -0.1987 0.5492 0.1248 0.407 Uiso 1 1 calc R U . . . H31B H -0.1543 0.5087 0.1714 0.407 Uiso 1 1 calc R U . . . H31C H -0.1897 0.5400 0.2732 0.407 Uiso 1 1 calc R U . . . C32 C -0.3095(10) 0.5052(4) 0.0576(13) 0.091(4) Uani 1 1 d . . . . . H32A H -0.3166 0.5339 0.0301 0.136 Uiso 1 1 calc R U . . . H32B H -0.3597 0.4917 0.0649 0.136 Uiso 1 1 calc R U . . . H32C H -0.2781 0.4905 -0.0048 0.136 Uiso 1 1 calc R U . . . C37 C -0.2103(4) 0.1490(2) 0.2500(7) 0.0285(15) Uani 1 1 d . . . . . H37 H -0.1656 0.1337 0.2711 0.034 Uiso 1 1 calc R U . . . C38 C -0.2807(4) 0.1344(2) 0.2113(7) 0.0290(16) Uani 1 1 d . . . . . C39 C -0.3065(4) 0.0899(2) 0.1956(8) 0.0327(16) Uani 1 1 d . . . . . C40 C -0.3616(12) 0.0810(4) 0.305(2) 0.143(9) Uani 1 1 d . . . . . H40A H -0.3854 0.0539 0.2924 0.214 Uiso 1 1 calc R U . . . H40B H -0.4015 0.1022 0.3075 0.214 Uiso 1 1 calc R U . . . H40C H -0.3331 0.0811 0.3851 0.214 Uiso 1 1 calc R U . . . C41 C -0.3448(16) 0.0844(4) 0.0739(17) 0.166(12) Uani 1 1 d . . . . . H41A H -0.3737 0.0585 0.0745 0.249 Uiso 1 1 calc R U . . . H41B H -0.3064 0.0836 0.0060 0.249 Uiso 1 1 calc R U . . . H41C H -0.3801 0.1075 0.0591 0.249 Uiso 1 1 calc R U . . . C42 C -0.2408(7) 0.0618(3) 0.198(2) 0.120(7) Uani 1 1 d . . . . . H42A H -0.2320 0.0525 0.2853 0.179 Uiso 1 1 calc R U . . . H42B H -0.1951 0.0762 0.1670 0.179 Uiso 1 1 calc R U . . . H42C H -0.2514 0.0379 0.1438 0.179 Uiso 1 1 calc R U . . . C43 C 0.9642(5) 0.3423(3) 0.0679(8) 0.049(2) Uani 1 1 d . . . . . H43 H 0.9641 0.3715 0.0768 0.059 Uiso 1 1 calc R U . . . C44 C 0.8950(6) 0.2804(3) 0.0134(9) 0.053(2) Uani 1 1 d . . . . . H44A H 0.8539 0.2685 0.0652 0.079 Uiso 1 1 calc R U . . . H44B H 0.9441 0.2676 0.0366 0.079 Uiso 1 1 calc R U . . . H44C H 0.8844 0.2753 -0.0765 0.079 Uiso 1 1 calc R U . . . C45 C 0.0165(4) 0.2530(2) 0.4101(7) 0.0251(14) Uani 1 1 d . . . . . H45 H 0.0400 0.2267 0.4162 0.030 Uiso 1 1 calc R U . . . C46 C -0.0556(4) 0.2567(2) 0.3606(7) 0.0263(15) Uani 1 1 d . . . . . C48 C -0.2210(4) 0.1929(2) 0.2506(6) 0.0221(14) Uani 1 1 d . . . . . C49 C 0.8275(5) 0.3457(4) 0.0166(10) 0.057(3) Uani 1 1 d . . . . . H49A H 0.8358 0.3753 0.0279 0.086 Uiso 1 1 calc R U . . . H49B H 0.7896 0.3359 0.0785 0.086 Uiso 1 1 calc R U . . . H49C H 0.8086 0.3404 -0.0695 0.086 Uiso 1 1 calc R U . . . C50 C -0.0335(13) 0.1649(7) -0.0102(16) 0.152(10) Uani 1 1 d . . . . . H50A H -0.0871 0.1563 -0.0198 0.227 Uiso 1 1 calc R U . . . H50B H -0.0144 0.1756 -0.0913 0.227 Uiso 1 1 calc R U . . . H50C H -0.0302 0.1866 0.0544 0.227 Uiso 1 1 calc R U . . . C51 C 0.0926(12) 0.1412(6) 0.004(2) 0.126(7) Uani 1 1 d . . . . . H51A H 0.1135 0.1225 -0.0603 0.189 Uiso 1 1 calc R U . . . H51B H 0.1217 0.1381 0.0831 0.189 Uiso 1 1 calc R U . . . H51C H 0.0965 0.1697 -0.0259 0.189 Uiso 1 1 calc R U . . . C52 C -0.0019(10) 0.0993(6) 0.0976(18) 0.106(5) Uani 1 1 d . . . . . H52 H -0.0540 0.0957 0.1218 0.127 Uiso 1 1 calc R U . . . C53 C 0.6316(5) 0.1822(3) 0.8425(8) 0.0380(18) Uiso 1 1 d . . . . . H53 H 0.5829 0.1954 0.8374 0.046 Uiso 1 1 calc R U . . . C54 C 0.7665(5) 0.1867(3) 0.8994(9) 0.046(2) Uiso 1 1 d . . . . . H54A H 0.7666 0.1585 0.8658 0.069 Uiso 1 1 calc R U . . . H54B H 0.7785 0.1861 0.9902 0.069 Uiso 1 1 calc R U . . . H54C H 0.8051 0.2032 0.8547 0.069 Uiso 1 1 calc R U . . . C55 C 0.6819(6) 0.2480(3) 0.9187(10) 0.053(2) Uiso 1 1 d . . . . . H55A H 0.6282 0.2561 0.9073 0.080 Uiso 1 1 calc R U . . . H55B H 0.7148 0.2656 0.8661 0.080 Uiso 1 1 calc R U . . . H55C H 0.6963 0.2512 1.0080 0.080 Uiso 1 1 calc R U . . . 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 O1 0.035(3) 0.024(3) 0.050(3) 0.000(2) -0.007(2) -0.002(2) O2 0.030(3) 0.027(3) 0.076(4) 0.007(3) -0.012(3) 0.000(2) O3 0.035(3) 0.025(3) 0.087(5) 0.011(3) -0.018(3) -0.009(2) O4 0.031(3) 0.025(3) 0.056(3) -0.007(2) -0.016(2) 0.002(2) O5 0.034(3) 0.029(3) 0.054(3) 0.004(3) -0.003(2) 0.002(2) O6 0.033(3) 0.072(4) 0.054(4) -0.003(3) -0.005(3) 0.001(3) O7 0.043(4) 0.055(4) 0.159(9) 0.016(5) -0.040(5) -0.006(3) O8 0.033(3) 0.031(3) 0.067(4) -0.005(3) 0.002(3) -0.010(2) O9 0.036(3) 0.041(3) 0.074(4) -0.011(3) 0.006(3) -0.002(3) N1 0.023(3) 0.033(3) 0.052(4) -0.002(3) 0.001(3) 0.003(3) N2 0.028(3) 0.027(3) 0.039(3) -0.001(3) -0.002(3) -0.002(2) N3 0.025(3) 0.020(3) 0.042(4) 0.004(2) 0.002(3) -0.005(2) N4 0.025(3) 0.020(3) 0.027(3) 0.000(2) -0.003(2) -0.003(2) N5 0.021(3) 0.015(3) 0.041(3) 0.001(2) -0.004(2) -0.003(2) N6 0.024(3) 0.023(3) 0.034(3) 0.004(2) -0.002(2) 0.002(2) N7 0.031(3) 0.024(3) 0.050(4) -0.001(3) -0.009(3) 0.008(3) N8 0.031(3) 0.030(3) 0.074(5) 0.010(3) -0.017(3) 0.004(3) N9 0.027(3) 0.017(3) 0.064(4) 0.008(3) -0.008(3) 0.004(2) N10 0.030(3) 0.016(3) 0.048(4) 0.006(3) -0.007(3) -0.002(2) N11 0.025(3) 0.026(3) 0.027(3) 0.003(2) -0.002(2) 0.002(2) N12 0.035(3) 0.023(3) 0.030(3) 0.004(2) -0.003(3) 0.001(3) N13 0.029(3) 0.027(3) 0.026(3) -0.002(2) -0.001(2) -0.003(2) N14 0.027(3) 0.021(3) 0.032(3) 0.003(2) -0.001(3) -0.003(2) N15 0.033(4) 0.062(5) 0.034(4) 0.003(3) -0.002(3) -0.005(3) N16 0.100(8) 0.072(6) 0.062(6) 0.000(5) 0.010(5) 0.025(6) C47 0.024(3) 0.030(4) 0.025(3) -0.001(3) -0.005(3) -0.004(3) N18 0.039(4) 0.041(4) 0.031(3) 0.007(3) 0.000(3) -0.006(3) C1 0.068(8) 0.047(7) 0.31(3) 0.066(12) -0.019(13) -0.026(6) C2 0.049(6) 0.026(4) 0.159(13) -0.015(6) 0.009(7) -0.005(4) C3 0.27(3) 0.134(16) 0.120(15) -0.071(13) 0.071(17) -0.142(19) C4 0.033(4) 0.029(4) 0.111(8) -0.023(5) 0.012(5) -0.011(3) C5 0.035(4) 0.024(4) 0.061(5) -0.005(4) 0.005(4) -0.002(3) C6 0.031(4) 0.024(4) 0.075(6) -0.003(4) 0.002(4) 0.000(3) C7 0.018(3) 0.025(3) 0.037(4) -0.006(3) 0.004(3) 0.002(3) C8 0.021(3) 0.023(4) 0.032(4) -0.005(3) 0.000(3) -0.002(3) C9 0.024(3) 0.024(3) 0.014(3) -0.002(2) 0.001(2) 0.000(3) C10 0.027(4) 0.025(3) 0.022(3) -0.001(3) 0.002(3) 0.003(3) C11 0.025(3) 0.028(4) 0.021(3) -0.002(3) -0.002(3) 0.005(3) C12 0.022(3) 0.023(3) 0.027(3) 0.001(3) -0.002(3) 0.002(3) C13 0.029(4) 0.026(4) 0.025(3) -0.001(3) -0.002(3) -0.001(3) C14 0.030(4) 0.017(3) 0.030(3) 0.002(3) -0.001(3) 0.004(3) C15 0.020(3) 0.033(4) 0.032(4) -0.004(3) -0.005(3) 0.001(3) C16 0.039(4) 0.013(3) 0.081(6) -0.001(4) -0.019(4) -0.002(3) C17 0.035(4) 0.024(4) 0.111(8) -0.002(5) -0.015(5) -0.003(3) C18 0.053(6) 0.021(5) 0.205(17) -0.017(7) -0.046(9) 0.013(4) C19 0.24(2) 0.045(7) 0.119(13) 0.031(8) 0.036(14) 0.079(11) C20 0.40(4) 0.106(14) 0.145(18) -0.073(13) -0.13(2) 0.16(2) C21 0.080(11) 0.024(7) 1.38(17) 0.09(3) -0.15(4) -0.010(7) C22 0.026(4) 0.025(4) 0.023(3) 0.002(3) 0.000(3) 0.004(3) C23 0.030(4) 0.018(3) 0.025(3) 0.003(3) 0.003(3) -0.003(3) C24 0.025(3) 0.020(3) 0.025(3) 0.000(3) 0.004(3) -0.003(3) C25 0.029(4) 0.028(4) 0.039(4) 0.004(3) -0.007(3) 0.000(3) C26 0.024(4) 0.020(3) 0.041(4) -0.002(3) -0.007(3) 0.002(3) C27 0.026(4) 0.028(4) 0.073(6) 0.003(4) -0.015(4) 0.005(3) C28 0.035(4) 0.028(4) 0.065(5) 0.003(4) -0.013(4) -0.002(3) C29 0.049(5) 0.028(4) 0.101(8) 0.009(5) -0.025(5) 0.002(4) C30 0.23(2) 0.046(7) 0.070(8) 0.001(6) -0.002(10) 0.057(10) C31 0.078(10) 0.050(8) 0.69(8) 0.12(2) -0.06(2) -0.018(8) C32 0.144(12) 0.046(6) 0.082(8) 0.024(6) -0.020(9) 0.016(7) C37 0.026(3) 0.034(4) 0.026(4) 0.004(3) -0.006(3) 0.005(3) C38 0.036(4) 0.019(3) 0.032(4) 0.005(3) 0.000(3) 0.001(3) C39 0.036(4) 0.021(3) 0.041(4) -0.006(3) -0.006(3) -0.003(3) C40 0.171(17) 0.059(8) 0.198(19) -0.033(10) 0.122(16) -0.070(10) C41 0.35(3) 0.040(7) 0.105(12) 0.024(7) -0.125(17) -0.060(12) C42 0.060(7) 0.022(5) 0.28(2) -0.031(9) 0.000(11) -0.007(4) C43 0.043(5) 0.066(6) 0.038(5) 0.006(4) 0.001(4) -0.011(4) C44 0.059(6) 0.047(5) 0.052(6) 0.001(4) 0.005(5) -0.007(4) C45 0.030(4) 0.016(3) 0.030(3) -0.002(3) -0.002(3) 0.004(3) C46 0.030(4) 0.021(3) 0.028(3) 0.001(3) 0.002(3) 0.004(3) C48 0.027(3) 0.020(3) 0.019(3) 0.000(3) -0.004(3) -0.004(3) C49 0.038(5) 0.084(7) 0.050(5) -0.014(5) -0.001(4) 0.020(5) C50 0.19(2) 0.20(2) 0.072(10) 0.061(11) 0.046(11) 0.125(18) C51 0.130(15) 0.114(13) 0.134(15) 0.034(12) -0.047(12) -0.046(12) C52 0.086(10) 0.116(13) 0.114(12) 0.008(10) -0.030(9) 0.023(10) _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 O1 C8 1.239(8) . ? O2 C14 1.207(9) . ? O3 C25 1.229(9) . ? O4 C47 1.232(9) . ? O5 H5A 0.89(3) . ? O5 H5B 0.88(3) . ? O6 C43 1.239(11) . ? O7 C52 1.189(16) . ? O8 H8A 0.87(3) . ? O8 H8B 0.87(3) . ? O9 H9A 0.88(3) . ? O9 H9B 0.88(3) . ? O10 C53 1.236(10) . ? N1 N2 1.338(9) . ? N1 C5 1.341(10) . ? N1 H1 0.8800 . ? N2 C7 1.326(9) . ? N3 C8 1.336(9) . ? N3 C7 1.413(9) . ? N3 H3 0.8800 . ? N4 C13 1.324(9) . ? N4 C9 1.336(9) . ? N5 C14 1.347(9) . ? N5 C15 1.398(9) . ? N5 H5 0.8800 . ? N6 C15 1.335(9) . ? N6 N7 1.349(8) . ? N7 C17 1.362(11) . ? N7 H7 0.8800 . ? N8 C28 1.340(11) . ? N8 N9 1.351(9) . ? N8 H8 0.8800 . ? N9 C26 1.321(9) . ? N10 C25 1.352(10) . ? N10 C26 1.396(9) . ? N10 H10 0.8800 . ? N11 C24 1.348(9) . ? N11 C46 1.349(9) . ? N12 C47 1.342(9) . ? N12 C48 1.396(9) . ? N12 H12 0.8800 . ? N13 C48 1.327(9) . ? N13 N14 1.354(8) . ? N14 C38 1.339(9) . ? N14 H14 0.8800 . ? N15 C43 1.326(12) . ? N15 C44 1.432(12) . ? N15 C49 1.444(12) . ? N16 C52 1.29(2) . ? N16 C50 1.406(18) . ? N16 C51 1.47(2) . ? C47 C46 1.498(10) . ? N18 C53 1.342(11) . ? N18 C54 1.442(11) . ? N18 C55 1.463(12) . ? C1 C4 1.61(2) . ? C1 H1A 0.9800 . ? C1 H1B 0.9800 . ? C1 H1C 0.9800 . ? C2 C4 1.474(14) . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C3 C4 1.46(2) . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C3 H3C 0.9800 . ? C4 C5 1.506(11) . ? C5 C6 1.384(11) . ? C6 C7 1.379(11) . ? C6 H6 0.9500 . ? C8 C9 1.511(9) . ? C9 C10 1.391(10) . ? C10 C11 1.378(10) . ? C10 H10A 0.9500 . ? C11 C12 1.397(9) . ? C11 C22 1.476(10) . ? C12 C13 1.383(10) . ? C12 H12A 0.9500 . ? C13 C14 1.520(9) . ? C15 C16 1.391(10) . ? C16 C17 1.367(12) . ? C16 H16 0.9500 . ? C17 C18 1.497(13) . ? C18 C21 1.373(19) . ? C18 C19 1.43(2) . ? C18 C20 1.65(4) . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? C22 C23 1.395(10) . ? C22 C45 1.412(10) . ? C23 C24 1.379(10) . ? C23 H23 0.9500 . ? C24 C25 1.492(10) . ? C26 C27 1.384(11) . ? C27 C28 1.399(11) . ? C27 H27 0.9500 . ? C28 C29 1.497(12) . ? C29 C31 1.454(18) . ? C29 C32 1.548(18) . ? C29 C30 1.55(2) . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C37 C38 1.376(11) . ? C37 C48 1.435(10) . ? C37 H37 0.9500 . ? C38 C39 1.520(10) . ? C39 C41 1.457(16) . ? C39 C42 1.462(14) . ? C39 C40 1.527(16) . ? C40 H40A 0.9800 . ? C40 H40B 0.9800 . ? C40 H40C 0.9800 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? C43 H43 0.9500 . ? C44 H44A 0.9800 . ? C44 H44B 0.9800 . ? C44 H44C 0.9800 . ? C45 C46 1.365(10) . ? C45 H45 0.9500 . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C50 H50A 0.9800 . ? C50 H50B 0.9800 . ? C50 H50C 0.9800 . ? C51 H51A 0.9800 . ? C51 H51B 0.9800 . ? C51 H51C 0.9800 . ? C52 H52 0.9500 . ? C53 H53 0.9500 . ? C54 H54A 0.9800 . ? C54 H54B 0.9800 . ? C54 H54C 0.9800 . ? C55 H55A 0.9800 . ? C55 H55B 0.9800 . ? C55 H55C 0.9800 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag H5A O5 H5B 110(4) . . ? H8A O8 H8B 116(5) . . ? H9A O9 H9B 112(5) . . ? N2 N1 C5 114.0(6) . . ? N2 N1 H1 123.0 . . ? C5 N1 H1 123.0 . . ? C7 N2 N1 103.7(6) . . ? C8 N3 C7 127.6(6) . . ? C8 N3 H3 116.2 . . ? C7 N3 H3 116.2 . . ? C13 N4 C9 117.6(6) . . ? C14 N5 C15 125.0(6) . . ? C14 N5 H5 117.5 . . ? C15 N5 H5 117.5 . . ? C15 N6 N7 104.4(6) . . ? N6 N7 C17 111.9(6) . . ? N6 N7 H7 124.0 . . ? C17 N7 H7 124.0 . . ? C28 N8 N9 114.2(6) . . ? C28 N8 H8 122.9 . . ? N9 N8 H8 122.9 . . ? C26 N9 N8 104.3(6) . . ? C25 N10 C26 124.7(6) . . ? C25 N10 H10 117.6 . . ? C26 N10 H10 117.6 . . ? C24 N11 C46 116.1(6) . . ? C47 N12 C48 124.5(6) . . ? C47 N12 H12 117.7 . . ? C48 N12 H12 117.7 . . ? C48 N13 N14 104.9(5) . . ? C38 N14 N13 112.2(6) . . ? C38 N14 H14 123.9 . . ? N13 N14 H14 123.9 . . ? C43 N15 C44 121.7(8) . . ? C43 N15 C49 123.8(9) . . ? C44 N15 C49 114.5(8) . . ? C52 N16 C50 133.4(15) . . ? C52 N16 C51 116.6(13) . . ? C50 N16 C51 108.0(15) . . ? O4 C47 N12 124.2(6) . . ? O4 C47 C46 121.1(6) . . ? N12 C47 C46 114.7(6) . . ? C53 N18 C54 121.5(7) . . ? C53 N18 C55 121.0(7) . . ? C54 N18 C55 117.2(7) . . ? C4 C1 H1A 109.5 . . ? C4 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? C4 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? C4 C2 H2A 109.5 . . ? C4 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? C4 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? C4 C3 H3A 109.5 . . ? C4 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? C4 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? C3 C4 C2 116.5(14) . . ? C3 C4 C5 109.2(10) . . ? C2 C4 C5 111.3(7) . . ? C3 C4 C1 108.1(16) . . ? C2 C4 C1 104.5(12) . . ? C5 C4 C1 106.7(8) . . ? N1 C5 C6 104.8(7) . . ? N1 C5 C4 124.1(7) . . ? C6 C5 C4 131.1(7) . . ? C7 C6 C5 105.5(7) . . ? C7 C6 H6 127.3 . . ? C5 C6 H6 127.3 . . ? N2 C7 C6 112.0(6) . . ? N2 C7 N3 117.5(6) . . ? C6 C7 N3 130.5(6) . . ? O1 C8 N3 125.2(6) . . ? O1 C8 C9 121.9(6) . . ? N3 C8 C9 112.8(6) . . ? N4 C9 C10 122.9(6) . . ? N4 C9 C8 115.8(6) . . ? C10 C9 C8 121.2(6) . . ? C11 C10 C9 119.3(6) . . ? C11 C10 H10A 120.4 . . ? C9 C10 H10A 120.4 . . ? C10 C11 C12 117.7(6) . . ? C10 C11 C22 122.5(6) . . ? C12 C11 C22 119.7(6) . . ? C13 C12 C11 118.8(6) . . ? C13 C12 H12A 120.6 . . ? C11 C12 H12A 120.6 . . ? N4 C13 C12 123.6(6) . . ? N4 C13 C14 116.8(6) . . ? C12 C13 C14 119.5(6) . . ? O2 C14 N5 125.3(6) . . ? O2 C14 C13 122.6(6) . . ? N5 C14 C13 112.1(6) . . ? N6 C15 C16 111.9(6) . . ? N6 C15 N5 117.8(6) . . ? C16 C15 N5 130.3(6) . . ? C17 C16 C15 105.1(7) . . ? C17 C16 H16 127.4 . . ? C15 C16 H16 127.4 . . ? N7 C17 C16 106.7(7) . . ? N7 C17 C18 122.5(8) . . ? C16 C17 C18 130.9(8) . . ? C21 C18 C19 116(3) . . ? C21 C18 C17 110.0(10) . . ? C19 C18 C17 112.2(11) . . ? C21 C18 C20 109(3) . . ? C19 C18 C20 103.4(11) . . ? C17 C18 C20 105.0(14) . . ? C18 C19 H19A 109.5 . . ? C18 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C18 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C18 C20 H20A 109.5 . . ? C18 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C18 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C18 C21 H21A 109.5 . . ? C18 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C18 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C23 C22 C45 115.9(6) . . ? C23 C22 C11 124.0(6) . . ? C45 C22 C11 120.0(6) . . ? C24 C23 C22 120.3(6) . . ? C24 C23 H23 119.9 . . ? C22 C23 H23 119.9 . . ? N11 C24 C23 123.6(6) . . ? N11 C24 C25 117.3(6) . . ? C23 C24 C25 119.1(6) . . ? O3 C25 N10 123.8(7) . . ? O3 C25 C24 120.4(6) . . ? N10 C25 C24 115.7(6) . . ? N9 C26 C27 111.1(6) . . ? N9 C26 N10 118.9(6) . . ? C27 C26 N10 130.0(6) . . ? C26 C27 C28 106.5(7) . . ? C26 C27 H27 126.8 . . ? C28 C27 H27 126.8 . . ? N8 C28 C27 103.7(7) . . ? N8 C28 C29 123.6(7) . . ? C27 C28 C29 132.5(7) . . ? C31 C29 C28 110.1(9) . . ? C31 C29 C32 113(2) . . ? C28 C29 C32 108.7(8) . . ? C31 C29 C30 109.6(18) . . ? C28 C29 C30 110.0(10) . . ? C32 C29 C30 105.0(10) . . ? C29 C30 H30A 109.5 . . ? C29 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C29 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C29 C31 H31A 109.5 . . ? C29 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? C29 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C29 C32 H32A 109.5 . . ? C29 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C29 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C38 C37 C48 103.1(6) . . ? C38 C37 H37 128.5 . . ? C48 C37 H37 128.5 . . ? N14 C38 C37 108.3(6) . . ? N14 C38 C39 123.2(6) . . ? C37 C38 C39 128.4(6) . . ? C41 C39 C42 107.4(15) . . ? C41 C39 C38 110.3(7) . . ? C42 C39 C38 110.9(7) . . ? C41 C39 C40 110.8(14) . . ? C42 C39 C40 111.1(14) . . ? C38 C39 C40 106.4(7) . . ? C39 C40 H40A 109.5 . . ? C39 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C39 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C39 C41 H41A 109.5 . . ? C39 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C39 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C39 C42 H42A 109.5 . . ? C39 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C39 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? O6 C43 N15 124.0(9) . . ? O6 C43 H43 118.0 . . ? N15 C43 H43 118.0 . . ? N15 C44 H44A 109.5 . . ? N15 C44 H44B 109.5 . . ? H44A C44 H44B 109.5 . . ? N15 C44 H44C 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? C46 C45 C22 120.0(6) . . ? C46 C45 H45 120.0 . . ? C22 C45 H45 120.0 . . ? N11 C46 C45 124.1(6) . . ? N11 C46 C47 116.9(6) . . ? C45 C46 C47 119.1(6) . . ? N13 C48 N12 118.4(6) . . ? N13 C48 C37 111.5(6) . . ? N12 C48 C37 130.0(6) . . ? N15 C49 H49A 109.5 . . ? N15 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? N15 C49 H49C 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? N16 C50 H50A 109.5 . . ? N16 C50 H50B 109.5 . . ? H50A C50 H50B 109.5 . . ? N16 C50 H50C 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? N16 C51 H51A 109.5 . . ? N16 C51 H51B 109.5 . . ? H51A C51 H51B 109.5 . . ? N16 C51 H51C 109.5 . . ? H51A C51 H51C 109.5 . . ? H51B C51 H51C 109.5 . . ? O7 C52 N16 129.8(17) . . ? O7 C52 H52 115.1 . . ? N16 C52 H52 115.1 . . ? O10 C53 N18 124.3(8) . . ? O10 C53 H53 117.8 . . ? N18 C53 H53 117.8 . . ? N18 C54 H54A 109.5 . . ? N18 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? N18 C54 H54C 109.5 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? N18 C55 H55A 109.5 . . ? N18 C55 H55B 109.5 . . ? H55A C55 H55B 109.5 . . ? N18 C55 H55C 109.5 . . ? H55A C55 H55C 109.5 . . ? H55B C55 H55C 109.5 . . ? _refine_diff_density_max 0.556 _refine_diff_density_min -0.398 _refine_diff_density_rms 0.090 _shelxl_version_number 2013-3 _shelx_res_file ; TITL NILOO31JULY in Pna2(1) CELL 0.71073 17.4186 32.3973 10.5410 90.000 90.000 90.000 ZERR 4.00 0.0011 0.0020 0.0007 0.000 0.000 0.000 LATT -1 SYMM -X, -Y, 0.5+Z SYMM 0.5+X, 0.5-Y, Z SYMM 0.5-X, 0.5+Y, 0.5+Z SFAC C H N O UNIT 204 316 68 40 L.S. 10 BOND $H ACTA FMAP 2 PLAN 20 DFIX 0.88 0.02 O5 H5A O5 H5B O8 H8A O8 H8B O9 H9A O9 H9B DFIX 1.45 0.02 H5A H5B H8A H8B H9A H9B TEMP -123 WGHT 0.147200 9.943800 EXTI 0.002917 FVAR 0.23077 MOLE 1 O1 4 0.296664 0.381479 0.554093 11.00000 0.03488 0.02376 = 0.04955 0.00004 -0.00720 -0.00168 O2 4 0.222868 0.169542 0.637477 11.00000 0.03001 0.02744 = 0.07607 0.00731 -0.01243 -0.00040 O3 4 -0.056744 0.399678 0.373971 11.00000 0.03475 0.02500 = 0.08654 0.01070 -0.01794 -0.00912 O4 4 -0.062776 0.185339 0.307637 11.00000 0.03138 0.02540 = 0.05631 -0.00690 -0.01630 0.00244 O5 4 0.462178 0.259362 0.727545 11.00000 0.03384 0.02895 = 0.05418 0.00407 -0.00323 0.00152 H5A 2 0.485899 0.235186 0.718595 11.00000 -1.50000 H5B 2 0.481934 0.277394 0.674334 11.00000 -1.50000 O6 4 1.025200 0.323712 0.087483 11.00000 0.03321 0.07156 = 0.05395 -0.00313 -0.00501 0.00092 O7 4 0.041154 0.073774 0.136733 11.00000 0.04338 0.05511 = 0.15911 0.01643 -0.03966 -0.00596 O8 4 0.215113 0.210729 0.246965 11.00000 0.03330 0.03064 = 0.06747 -0.00511 0.00179 -0.01043 H8A 2 0.264394 0.210232 0.234332 11.00000 -1.50000 H8B 2 0.197235 0.192211 0.298517 11.00000 -1.50000 O9 4 0.098533 0.162886 0.348507 11.00000 0.03635 0.04091 = 0.07450 -0.01071 0.00574 -0.00201 H9A 2 0.125426 0.145885 0.300136 11.00000 -1.50000 H9B 2 0.050410 0.164368 0.323929 11.00000 -1.50000 O10 4 0.635258 0.145279 0.813380 11.00000 0.04406 N1 3 0.570525 0.365433 0.640529 11.00000 0.02286 0.03268 = 0.05178 -0.00176 0.00088 0.00275 AFIX 43 H1 2 0.619609 0.360633 0.653682 11.00000 -1.20000 AFIX 0 N2 3 0.517784 0.335456 0.636045 11.00000 0.02774 0.02697 = 0.03915 -0.00139 -0.00201 -0.00243 N3 3 0.384673 0.331956 0.606437 11.00000 0.02509 0.01990 = 0.04188 0.00356 0.00180 -0.00488 AFIX 43 H3 2 0.389064 0.305503 0.623961 11.00000 -1.20000 AFIX 0 N4 3 0.282007 0.273191 0.601182 11.00000 0.02500 0.02048 = 0.02736 -0.00019 -0.00329 -0.00316 N5 3 0.339067 0.200464 0.658914 11.00000 0.02058 0.01458 = 0.04068 0.00116 -0.00445 -0.00304 AFIX 43 H5 2 0.362317 0.224573 0.657139 11.00000 -1.20000 AFIX 0 N6 3 0.455868 0.172199 0.725902 11.00000 0.02375 0.02288 = 0.03420 0.00421 -0.00183 0.00166 N7 3 0.484646 0.133960 0.742996 11.00000 0.03085 0.02398 = 0.05035 -0.00096 -0.00920 0.00802 AFIX 43 H7 2 0.532243 0.128865 0.766193 11.00000 -1.20000 AFIX 0 N8 3 -0.309584 0.431564 0.226573 11.00000 0.03120 0.02990 = 0.07374 0.01039 -0.01704 0.00375 AFIX 43 H8 2 -0.357316 0.436517 0.203846 11.00000 -1.20000 AFIX 0 N9 3 -0.285309 0.394067 0.265818 11.00000 0.02737 0.01697 = 0.06351 0.00813 -0.00822 0.00409 N10 3 -0.168592 0.365767 0.333034 11.00000 0.02977 0.01616 = 0.04755 0.00592 -0.00661 -0.00216 AFIX 43 H10 2 -0.191626 0.341622 0.336751 11.00000 -1.20000 AFIX 0 N11 3 -0.093908 0.292738 0.350330 11.00000 0.02534 0.02582 = 0.02667 0.00274 -0.00171 0.00205 N12 3 -0.170743 0.224328 0.286883 11.00000 0.03512 0.02342 = 0.03033 0.00368 -0.00273 0.00084 AFIX 43 H12 2 -0.188976 0.249632 0.290574 11.00000 -1.20000 AFIX 0 N13 3 -0.291292 0.203163 0.213846 11.00000 0.02871 0.02728 = 0.02599 -0.00198 -0.00081 -0.00328 N14 3 -0.326815 0.166775 0.190438 11.00000 0.02698 0.02066 = 0.03217 0.00345 -0.00139 -0.00299 AFIX 43 H14 2 -0.374670 0.164648 0.164488 11.00000 -1.20000 AFIX 0 N15 3 0.899069 0.323976 0.035446 11.00000 0.03251 0.06212 = 0.03445 0.00282 -0.00181 -0.00472 N16 3 0.011320 0.130933 0.027386 11.00000 0.10019 0.07223 = 0.06239 -0.00012 0.00953 0.02540 C47 1 -0.096585 0.218629 0.316521 11.00000 0.02404 0.02984 = 0.02471 -0.00070 -0.00517 -0.00370 N18 3 0.691682 0.204871 0.880848 11.00000 0.03949 0.04116 = 0.03080 0.00700 0.00009 -0.00560 C1 1 0.551155 0.474286 0.531097 11.00000 0.06785 0.04664 = 0.31434 0.06623 -0.01931 -0.02592 AFIX 137 H1A 2 0.497545 0.479234 0.554850 11.00000 -1.50000 H1B 2 0.553216 0.462727 0.445249 11.00000 -1.50000 H1C 2 0.579533 0.500396 0.533311 11.00000 -1.50000 AFIX 0 C2 1 0.667311 0.435516 0.579927 11.00000 0.04927 0.02644 = 0.15920 -0.01545 0.00884 -0.00474 AFIX 137 H2A 2 0.694736 0.461901 0.576276 11.00000 -1.50000 H2B 2 0.664329 0.423602 0.494614 11.00000 -1.50000 H2C 2 0.694844 0.416507 0.636145 11.00000 -1.50000 AFIX 0 C3 1 0.583305 0.459956 0.756085 11.00000 0.27188 0.13373 = 0.12040 -0.07059 0.07079 -0.14178 AFIX 137 H3A 2 0.589940 0.489955 0.751351 11.00000 -1.50000 H3B 2 0.623343 0.448136 0.810366 11.00000 -1.50000 H3C 2 0.532726 0.453620 0.791843 11.00000 -1.50000 AFIX 0 C4 1 0.589116 0.442341 0.629196 11.00000 0.03338 0.02899 = 0.11074 -0.02298 0.01248 -0.01107 C5 1 0.541944 0.403449 0.623198 11.00000 0.03495 0.02389 = 0.06068 -0.00466 0.00516 -0.00209 C6 1 0.464114 0.397517 0.604187 11.00000 0.03086 0.02381 = 0.07490 -0.00278 0.00238 -0.00003 AFIX 43 H6 2 0.426446 0.418051 0.587912 11.00000 -1.20000 AFIX 0 C7 1 0.452775 0.355513 0.613851 11.00000 0.01828 0.02530 = 0.03653 -0.00597 0.00363 0.00217 C8 1 0.314389 0.345139 0.575934 11.00000 0.02122 0.02276 = 0.03183 -0.00526 -0.00015 -0.00190 C9 1 0.256515 0.310496 0.567540 11.00000 0.02415 0.02428 = 0.01428 -0.00154 0.00109 -0.00016 C10 1 0.182844 0.317281 0.521147 11.00000 0.02744 0.02513 = 0.02214 -0.00069 0.00181 0.00260 AFIX 43 H10A 2 0.167015 0.344271 0.497547 11.00000 -1.20000 AFIX 0 C11 1 0.133041 0.284425 0.509776 11.00000 0.02510 0.02759 = 0.02086 -0.00229 -0.00162 0.00469 C12 1 0.158933 0.245676 0.549204 11.00000 0.02211 0.02307 = 0.02653 0.00125 -0.00234 0.00219 AFIX 43 H12A 2 0.125912 0.222360 0.546148 11.00000 -1.20000 AFIX 0 C13 1 0.233490 0.241869 0.592760 11.00000 0.02882 0.02622 = 0.02483 -0.00128 -0.00212 -0.00058 C14 1 0.263458 0.199704 0.632051 11.00000 0.02993 0.01696 = 0.02983 0.00157 -0.00098 0.00361 C15 1 0.383437 0.165882 0.689402 11.00000 0.01981 0.03334 = 0.03193 -0.00375 -0.00529 0.00071 C16 1 0.365471 0.124073 0.684591 11.00000 0.03929 0.01284 = 0.08074 -0.00117 -0.01932 -0.00183 AFIX 43 H16 2 0.317783 0.111967 0.661610 11.00000 -1.20000 AFIX 0 C17 1 0.431260 0.104168 0.720075 11.00000 0.03531 0.02433 = 0.11136 -0.00187 -0.01469 -0.00316 C18 1 0.448130 0.059132 0.735739 11.00000 0.05320 0.02068 = 0.20483 -0.01741 -0.04575 0.01278 C19 1 0.493996 0.050986 0.845509 11.00000 0.24109 0.04506 = 0.11948 0.03055 0.03561 0.07897 AFIX 137 H19A 2 0.539383 0.068859 0.844570 11.00000 -1.50000 H19B 2 0.510204 0.022020 0.845029 11.00000 -1.50000 H19C 2 0.463818 0.056500 0.922122 11.00000 -1.50000 AFIX 0 C20 1 0.505954 0.047436 0.616527 11.00000 0.40126 0.10568 = 0.14517 -0.07281 -0.13010 0.16103 AFIX 137 H20A 2 0.499154 0.018342 0.593683 11.00000 -1.50000 H20B 2 0.559332 0.052194 0.642015 11.00000 -1.50000 H20C 2 0.493629 0.064842 0.543270 11.00000 -1.50000 AFIX 0 C21 1 0.381659 0.036646 0.725062 11.00000 0.07962 0.02450 = 1.38315 0.09393 -0.15174 -0.00977 AFIX 137 H21A 2 0.373098 0.021026 0.803410 11.00000 -1.50000 H21B 2 0.386066 0.017479 0.653506 11.00000 -1.50000 H21C 2 0.338354 0.055379 0.710645 11.00000 -1.50000 AFIX 0 C22 1 0.056148 0.288506 0.452234 11.00000 0.02577 0.02529 = 0.02344 0.00158 0.00033 0.00357 C23 1 0.017257 0.325911 0.438856 11.00000 0.03027 0.01836 = 0.02516 0.00282 0.00324 -0.00295 AFIX 43 H23 2 0.040853 0.350845 0.465864 11.00000 -1.20000 AFIX 0 C24 1 -0.055303 0.326820 0.386575 11.00000 0.02524 0.02007 = 0.02502 0.00020 0.00353 -0.00273 C25 1 -0.093700 0.367453 0.366505 11.00000 0.02882 0.02843 = 0.03925 0.00401 -0.00695 -0.00005 C26 1 -0.211979 0.399572 0.293018 11.00000 0.02405 0.01972 = 0.04062 -0.00221 -0.00677 0.00233 C27 1 -0.190323 0.440189 0.273982 11.00000 0.02551 0.02811 = 0.07269 0.00340 -0.01537 0.00492 AFIX 43 H27 2 -0.141382 0.451931 0.290704 11.00000 -1.20000 AFIX 0 C28 1 -0.254731 0.460566 0.225232 11.00000 0.03461 0.02819 = 0.06486 0.00340 -0.01330 -0.00244 C29 1 -0.268785 0.504526 0.188058 11.00000 0.04926 0.02819 = 0.10073 0.00888 -0.02472 0.00228 C30 1 -0.326678 0.524772 0.281294 11.00000 0.22648 0.04592 = 0.07001 0.00104 -0.00163 0.05718 AFIX 137 H30A 2 -0.311327 0.518697 0.368766 11.00000 -1.50000 H30B 2 -0.378163 0.513672 0.265748 11.00000 -1.50000 H30C 2 -0.327068 0.554718 0.268189 11.00000 -1.50000 AFIX 0 C31 1 -0.197016 0.527469 0.189495 11.00000 0.07797 0.04979 = 0.68686 0.12046 -0.06145 -0.01824 AFIX 137 H31A 2 -0.198739 0.549186 0.124841 11.00000 -1.50000 H31B 2 -0.154296 0.508690 0.171364 11.00000 -1.50000 H31C 2 -0.189657 0.539990 0.273250 11.00000 -1.50000 AFIX 0 C32 1 -0.309547 0.505205 0.057596 11.00000 0.14380 0.04647 = 0.08191 0.02367 -0.02031 0.01619 AFIX 137 H32A 2 -0.316607 0.533856 0.030147 11.00000 -1.50000 H32B 2 -0.359719 0.491722 0.064859 11.00000 -1.50000 H32C 2 -0.278125 0.490467 -0.004818 11.00000 -1.50000 AFIX 0 C37 1 -0.210334 0.148980 0.249983 11.00000 0.02575 0.03384 = 0.02585 0.00400 -0.00614 0.00498 AFIX 43 H37 2 -0.165584 0.133694 0.271120 11.00000 -1.20000 AFIX 0 C38 1 -0.280739 0.134413 0.211323 11.00000 0.03601 0.01915 = 0.03179 0.00504 -0.00034 0.00126 C39 1 -0.306535 0.089899 0.195568 11.00000 0.03622 0.02055 = 0.04119 -0.00621 -0.00552 -0.00288 C40 1 -0.361567 0.080970 0.304930 11.00000 0.17082 0.05941 = 0.19757 -0.03298 0.12218 -0.06962 AFIX 137 H40A 2 -0.385379 0.053870 0.292358 11.00000 -1.50000 H40B 2 -0.401525 0.102249 0.307483 11.00000 -1.50000 H40C 2 -0.333119 0.081060 0.385138 11.00000 -1.50000 AFIX 0 C41 1 -0.344806 0.084420 0.073852 11.00000 0.35345 0.04040 = 0.10502 0.02385 -0.12479 -0.05956 AFIX 137 H41A 2 -0.373717 0.058470 0.074522 11.00000 -1.50000 H41B 2 -0.306368 0.083609 0.006008 11.00000 -1.50000 H41C 2 -0.380081 0.107494 0.059141 11.00000 -1.50000 AFIX 0 C42 1 -0.240845 0.061824 0.198131 11.00000 0.05990 0.02220 = 0.27677 -0.03126 -0.00028 -0.00710 AFIX 137 H42A 2 -0.231972 0.052461 0.285311 11.00000 -1.50000 H42B 2 -0.195117 0.076246 0.167006 11.00000 -1.50000 H42C 2 -0.251410 0.037945 0.143793 11.00000 -1.50000 AFIX 0 C43 1 0.964197 0.342312 0.067938 11.00000 0.04311 0.06622 = 0.03816 0.00637 0.00092 -0.01110 AFIX 43 H43 2 0.964085 0.371494 0.076774 11.00000 -1.20000 AFIX 0 C44 1 0.895035 0.280406 0.013444 11.00000 0.05893 0.04700 = 0.05249 0.00108 0.00496 -0.00736 AFIX 137 H44A 2 0.853864 0.268511 0.065197 11.00000 -1.50000 H44B 2 0.944074 0.267628 0.036554 11.00000 -1.50000 H44C 2 0.884405 0.275267 -0.076476 11.00000 -1.50000 AFIX 0 C45 1 0.016510 0.253042 0.410088 11.00000 0.02956 0.01556 = 0.03027 -0.00168 -0.00205 0.00401 AFIX 43 H45 2 0.040014 0.226656 0.416184 11.00000 -1.20000 AFIX 0 C46 1 -0.055601 0.256687 0.360575 11.00000 0.03032 0.02094 = 0.02753 0.00079 0.00244 0.00367 C48 1 -0.220992 0.192891 0.250587 11.00000 0.02724 0.02049 = 0.01854 -0.00019 -0.00384 -0.00408 C49 1 0.827510 0.345656 0.016556 11.00000 0.03827 0.08392 = 0.04963 -0.01396 -0.00076 0.02048 AFIX 137 H49A 2 0.835802 0.375348 0.027856 11.00000 -1.50000 H49B 2 0.789618 0.335948 0.078464 11.00000 -1.50000 H49C 2 0.808562 0.340379 -0.069468 11.00000 -1.50000 AFIX 0 C50 1 -0.033467 0.164922 -0.010188 11.00000 0.18508 0.19830 = 0.07160 0.06145 0.04554 0.12484 AFIX 137 H50A 2 -0.087056 0.156260 -0.019824 11.00000 -1.50000 H50B 2 -0.014393 0.175574 -0.091294 11.00000 -1.50000 H50C 2 -0.030159 0.186616 0.054373 11.00000 -1.50000 AFIX 0 C51 1 0.092570 0.141162 0.004115 11.00000 0.13049 0.11417 = 0.13359 0.03354 -0.04740 -0.04556 AFIX 137 H51A 2 0.113492 0.122465 -0.060275 11.00000 -1.50000 H51B 2 0.121714 0.138113 0.083084 11.00000 -1.50000 H51C 2 0.096518 0.169709 -0.025936 11.00000 -1.50000 AFIX 0 C52 1 -0.001911 0.099259 0.097554 11.00000 0.08589 0.11647 = 0.11415 0.00760 -0.03035 0.02311 AFIX 43 H52 2 -0.054012 0.095661 0.121798 11.00000 -1.20000 AFIX 0 C53 1 0.631564 0.182193 0.842501 11.00000 0.03804 AFIX 43 H53 2 0.582939 0.195370 0.837385 11.00000 -1.20000 AFIX 0 C54 1 0.766472 0.186748 0.899358 11.00000 0.04629 AFIX 137 H54A 2 0.766629 0.158539 0.865793 11.00000 -1.50000 H54B 2 0.778495 0.186142 0.990161 11.00000 -1.50000 H54C 2 0.805113 0.203249 0.854697 11.00000 -1.50000 AFIX 0 C55 1 0.681948 0.248018 0.918675 11.00000 0.05339 AFIX 137 H55A 2 0.628186 0.256126 0.907277 11.00000 -1.50000 H55B 2 0.714835 0.265603 0.866052 11.00000 -1.50000 H55C 2 0.696306 0.251217 1.008028 11.00000 -1.50000 AFIX 0 HKLF 4 REM NILOO31JULY in Pna2(1) REM R1 = 0.0818 for 8716 Fo > 4sig(Fo) and 0.0848 for all 9101 data REM 720 parameters refined using 10 restraints END WGHT 0.1180 12.9069 REM Highest difference peak 0.556, deepest hole -0.398, 1-sigma level 0.090 Q1 1 0.3873 0.0344 0.6582 11.00000 0.05 0.56 Q2 1 -0.0663 0.1035 -0.0286 11.00000 0.05 0.48 Q3 1 0.1953 0.3415 0.5615 11.00000 0.05 0.42 Q4 1 0.1989 0.2392 0.2255 11.00000 0.05 0.42 Q5 1 0.2240 0.2678 0.5804 11.00000 0.05 0.42 Q6 1 -0.2329 0.5130 0.0851 11.00000 0.05 0.42 Q7 1 -0.0063 0.1841 0.0979 11.00000 0.05 0.42 Q8 1 0.4534 0.0325 0.6497 11.00000 0.05 0.42 Q9 1 0.3753 0.0409 0.8496 11.00000 0.05 0.42 Q10 1 0.7822 0.2101 0.9049 11.00000 0.05 0.38 Q11 1 0.6449 0.4336 0.7756 11.00000 0.05 0.38 Q12 1 0.5457 0.2432 0.7001 11.00000 0.05 0.38 Q13 1 0.2117 0.3779 0.5508 11.00000 0.05 0.37 Q14 1 0.5442 0.3294 0.7474 11.00000 0.05 0.37 Q15 1 -0.0971 0.3389 0.3429 11.00000 0.05 0.36 Q16 1 -0.0181 0.1774 0.4265 11.00000 0.05 0.36 Q17 1 0.6121 0.2820 1.0018 11.00000 0.05 0.36 Q18 1 0.1505 0.2012 0.6792 11.00000 0.05 0.36 Q19 1 -0.2258 0.5303 0.3077 11.00000 0.05 0.36 Q20 1 0.0604 0.3156 0.3082 11.00000 0.05 0.36 ; _shelx_res_checksum 69624 _shelx_hkl_file ; 0 0 -1 -9.89 0.09 0 0 -1 -9.85 0.11 0 0 1 -10.01 0.11 0 0 1 -9.86 0.12 0 0 1 -9.91 0.08 0 0 -1 -9.88 0.10 0 0 -1 -9.76 0.13 0 0 -1 -9.90 0.13 0 0 2 6891.77 346.84 0 0 2 6305.83 339.22 0 0 2 6420.73 330.49 0 0 2 6699.94 330.61 0 0 2 6737.04 346.62 0 0 -2 6432.42 330.59 0 0 -2 6641.57 330.53 0 0 -2 6972.40 327.20 0 0 -2 6630.72 346.60 0 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7.28 1.35 -10 -2 -8 3.75 1.82 -10 2 -8 4.34 1.41 10 -2 8 3.96 1.76 -10 2 -8 5.81 1.63 -10 -2 -8 5.45 1.64 10 -2 -8 5.84 1.78 -10 -2 8 7.71 1.73 10 -2 9 6.37 1.60 10 -2 9 5.05 1.91 -10 -2 9 8.69 1.87 10 2 -9 10.77 1.85 -10 2 -9 6.92 1.82 10 2 -9 8.01 1.92 -10 2 -9 10.31 2.09 -10 -2 -9 6.32 1.72 -10 2 -9 7.98 1.83 -10 -2 -9 7.10 2.02 10 2 9 5.76 2.00 -10 2 9 9.78 2.04 10 2 9 7.82 1.93 10 -2 9 7.76 1.98 10 -2 -9 7.28 1.90 -10 2 9 8.14 1.94 -10 -2 9 6.43 1.58 -10 -2 -9 8.80 1.87 -10 -2 -9 9.50 2.11 10 -2 -9 11.54 1.84 10 2 9 5.13 1.62 -10 -2 9 9.33 1.89 -10 2 9 10.13 1.74 10 2 10 6.89 2.11 -10 2 10 6.97 2.16 10 2 10 5.36 2.12 10 -2 10 9.48 2.16 -10 2 10 11.49 1.87 -10 2 -10 7.55 1.97 10 2 -10 10.45 2.07 -10 2 -10 7.10 1.99 -10 2 10 9.15 2.21 10 -2 10 6.82 1.76 -10 -2 10 8.83 2.09 10 -2 10 7.84 2.20 10 -2 -10 14.43 2.05 10 -2 -10 12.03 2.19 -10 -2 -10 8.33 1.94 -10 2 -10 8.63 2.24 10 2 -10 11.64 2.14 -10 -2 -10 8.21 2.23 -10 -2 -10 8.36 2.04 -10 -2 10 7.85 2.04 11 2 0 41.14 2.39 -11 -2 0 42.74 2.58 11 2 0 42.31 2.51 -11 2 0 48.16 2.69 -11 -2 0 42.42 2.56 11 -2 0 42.73 2.62 11 -2 0 43.55 2.57 -11 -2 0 37.90 2.50 -11 -2 0 38.20 2.58 11 -2 0 36.33 2.38 -11 2 0 37.07 2.65 -11 2 0 35.47 2.45 -11 -2 0 38.22 2.42 -11 2 0 40.76 2.48 -11 2 0 47.10 3.11 -11 2 0 41.86 2.62 -11 2 0 41.24 2.56 -11 -2 0 45.15 3.06 11 -2 0 38.92 2.57 -11 2 0 42.77 2.71 11 2 0 43.71 2.55 11 -2 0 44.14 2.57 -11 -2 0 42.70 2.58 -11 2 -1 37.33 2.36 -11 -2 1 39.51 2.41 -11 2 -1 38.14 2.57 -11 -2 -1 36.42 2.39 -11 2 1 42.41 2.37 -11 2 -1 39.46 2.44 11 2 1 39.63 2.43 11 2 -1 38.78 2.44 -11 2 1 39.01 2.55 -11 -2 1 33.70 2.30 -11 2 -1 37.29 2.89 -11 -2 1 40.30 2.46 11 2 -1 36.47 2.25 11 2 1 36.02 2.45 -11 2 -1 38.14 2.55 -11 -2 1 36.27 2.45 11 2 -1 38.36 2.41 -11 -2 -1 36.13 2.94 11 -2 1 36.19 2.30 -11 2 -1 36.49 2.50 11 -2 -1 37.39 2.47 11 -2 -1 36.40 2.42 -11 2 1 37.05 2.90 11 -2 -1 38.02 2.30 11 -2 1 40.64 2.56 -11 2 -1 39.61 2.36 -11 2 1 40.01 2.50 -11 -2 -1 37.70 2.31 -11 -2 1 43.52 2.94 -11 -2 1 36.39 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1.03 -4 -4 -7 -1.92 1.35 4 -4 7 -1.23 1.22 -4 4 -7 1.08 1.31 -4 -4 -7 1.37 1.17 4 4 -7 -0.20 1.23 4 4 7 -0.01 1.33 -4 4 -8 33.00 2.83 -4 -4 -8 26.98 2.61 -4 4 8 29.18 2.79 4 -4 8 28.72 2.60 4 -4 -8 27.48 2.60 -4 4 8 31.02 2.55 4 -4 -8 28.70 2.35 -4 -4 -8 29.92 2.54 4 -4 8 31.71 2.32 -4 -4 -8 31.80 2.80 -4 -4 8 25.72 2.54 -4 4 8 32.08 2.67 -4 4 -8 32.35 2.71 -4 -4 -8 31.85 2.47 -4 -4 8 29.96 2.44 4 -4 -8 29.38 2.83 4 4 8 31.11 2.68 4 4 -8 29.59 2.37 4 4 8 31.68 2.80 -4 -4 -8 31.45 2.51 4 4 -8 31.07 2.59 -4 -4 8 29.65 2.58 -4 4 -8 30.16 2.41 4 -4 -8 31.38 2.71 4 -4 8 32.48 2.69 -4 4 -8 25.26 2.60 -4 4 8 29.96 2.38 4 -4 8 30.97 2.58 4 4 8 27.55 2.76 -4 -4 -8 29.69 2.86 4 4 -8 28.04 2.59 4 4 8 28.11 2.35 -4 -4 8 30.98 2.27 4 -4 8 32.10 2.72 -4 -4 -9 67.94 4.33 -4 4 9 65.92 4.63 4 4 9 70.73 4.26 4 4 9 69.64 4.40 4 -4 9 69.58 4.46 4 -4 -9 69.93 4.50 4 -4 9 67.99 4.47 -4 4 9 72.61 4.47 -4 -4 9 71.19 4.16 4 -4 9 70.50 4.21 -4 4 9 71.47 4.25 4 4 9 75.26 4.66 4 4 -9 66.34 4.24 -4 -4 -9 69.07 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186.63 10.87 -5 4 -1 194.77 11.12 5 -4 -1 224.29 10.59 5 -4 1 194.50 10.86 -5 -4 1 220.46 10.54 -5 -4 -1 209.28 10.84 5 -4 1 203.37 11.11 -5 -4 1 217.88 10.44 -5 4 -1 210.96 10.59 5 4 1 204.55 11.07 5 4 1 214.98 10.56 5 4 -1 219.01 11.06 -5 4 -1 221.38 10.89 5 -4 -1 206.53 11.12 5 -4 1 243.07 10.53 5 -4 1 226.48 10.60 5 -4 -1 205.16 10.59 -5 -4 -1 195.92 10.83 5 4 1 207.70 10.45 5 4 -1 213.89 11.05 5 4 -1 215.34 10.54 -5 -4 -1 194.12 11.06 -5 4 -1 216.01 11.13 5 4 -1 201.85 10.53 5 -4 -1 200.84 10.49 -5 4 -1 225.24 11.12 5 4 1 214.21 10.55 -5 -4 -1 196.52 10.45 5 -4 1 214.09 11.14 -5 -4 1 218.30 10.83 -5 -4 1 215.16 10.55 5 -4 1 219.38 10.61 -5 4 1 222.54 10.59 -5 4 1 218.24 11.11 5 -4 2 12.96 1.07 -5 4 -2 12.90 1.08 -5 -4 -2 11.09 0.96 -5 4 2 11.98 1.26 5 4 2 12.95 1.11 -5 4 -2 13.37 1.24 -5 4 -2 14.08 1.19 -5 -4 2 12.41 1.12 -5 -4 2 13.22 1.03 -5 4 2 12.37 1.21 5 -4 2 12.90 1.13 5 4 -2 15.00 1.06 5 4 -2 12.55 1.03 -5 -4 2 13.23 1.03 5 -4 2 13.48 1.22 -5 -4 -2 13.65 1.11 5 4 2 15.50 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115.35 5.88 5 -5 1 120.03 6.13 5 -5 1 124.49 5.97 -5 -5 1 115.82 5.83 -5 -5 1 115.44 5.88 5 5 1 115.73 6.20 5 -5 -1 116.58 5.96 5 5 -1 114.37 5.89 5 5 -1 115.97 5.83 5 -5 -1 129.21 5.95 -5 -5 1 105.91 6.05 -5 5 -1 114.61 6.13 5 -5 -1 123.44 6.13 -5 5 -1 110.53 6.28 5 -5 -1 121.01 5.97 5 5 -1 112.48 5.88 -5 5 1 117.18 5.94 -5 5 -1 129.54 6.28 5 5 1 129.36 6.23 -5 5 1 118.34 6.13 -5 -5 -1 113.55 5.91 -5 -5 -1 117.33 5.90 -5 5 -1 111.60 5.92 5 -5 -1 123.17 6.26 -5 5 -1 111.91 6.29 5 -5 1 111.30 5.97 -5 5 1 110.87 5.95 -5 -5 -1 119.67 6.18 -5 5 -1 112.35 5.96 -5 -5 -1 112.91 5.86 5 5 1 117.11 5.92 -5 5 1 128.89 6.15 -5 5 1 116.97 6.27 5 -5 1 113.70 6.30 -5 -5 -1 118.09 6.09 -5 5 -1 120.34 6.16 -5 -5 -1 111.83 6.19 -5 -5 -1 108.78 6.07 5 -5 1 113.22 5.94 5 5 -2 23.10 1.48 -5 -5 -2 21.55 1.60 -5 5 2 24.53 1.69 5 -5 -2 20.92 1.74 -5 -5 -2 23.05 1.50 -5 5 -2 23.28 1.72 5 5 2 22.17 1.42 -5 -5 -2 22.76 1.75 -5 5 2 23.53 1.52 5 5 2 23.39 1.52 -5 5 -2 20.79 1.63 5 5 2 23.98 1.54 5 -5 2 23.91 1.64 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-5 5 4 50.67 3.10 -5 -5 -4 50.86 3.07 -5 5 -4 57.25 3.05 5 5 4 50.00 2.89 5 5 -4 53.09 3.02 5 -5 4 56.15 3.03 5 5 4 51.60 3.03 5 -5 4 51.46 2.98 -5 5 -4 55.18 3.16 5 -5 4 51.98 3.11 5 5 4 45.24 2.92 5 -5 -4 50.96 2.94 -5 5 4 46.44 2.90 -5 -5 -4 50.98 2.95 5 5 -4 57.00 2.88 5 5 4 51.52 3.06 -5 -5 4 49.70 3.02 -5 -5 -4 47.41 3.09 -5 5 4 53.68 3.19 -5 -5 4 53.95 2.83 -5 5 -4 53.09 2.95 -5 -5 -4 53.25 2.98 -5 -5 -4 50.92 2.90 -5 5 4 55.03 3.21 -5 5 4 51.39 3.01 -5 5 -4 54.11 2.97 5 -5 -4 50.37 3.11 5 -5 4 45.92 2.86 5 -5 -4 54.17 2.96 -5 5 4 52.80 3.02 -5 -5 -4 50.63 3.25 -5 5 -4 51.24 3.17 -5 5 -5 59.60 3.53 -5 5 5 61.20 3.56 -5 -5 -5 57.27 3.27 5 -5 5 57.06 3.38 -5 5 5 59.85 3.64 -5 5 5 56.74 3.33 5 -5 -5 60.40 3.37 5 -5 5 57.90 3.34 -5 -5 5 59.60 3.39 -5 5 -5 65.56 3.43 5 -5 5 65.33 3.48 5 5 -5 61.06 3.31 5 5 5 60.92 3.47 -5 5 5 65.64 3.51 -5 -5 5 55.08 3.19 5 5 5 55.41 3.52 -5 -5 -5 57.65 3.54 5 5 5 60.44 3.43 -5 -5 -5 51.66 3.59 5 5 -5 58.18 3.24 5 -5 -5 52.88 3.31 -5 5 5 55.20 3.27 -5 -5 -5 59.72 3.48 5 -5 5 56.90 3.24 -5 5 -5 58.06 3.30 -5 5 -5 60.11 3.34 -5 5 5 58.29 3.36 5 5 5 58.24 3.37 -5 5 5 55.82 3.50 -5 -5 5 59.32 3.44 -5 -5 5 57.81 3.39 5 -5 -5 55.60 3.30 -5 -5 -5 55.40 3.37 -5 5 -5 54.05 3.53 5 -5 -5 58.24 3.46 5 5 5 60.21 3.29 5 5 -5 62.61 3.44 -5 -5 5 60.15 3.51 5 -5 -5 52.21 3.49 -5 -5 -5 55.02 3.28 5 5 -5 57.44 3.24 5 -5 5 59.73 3.50 -5 -5 -5 60.44 3.54 -5 -5 -6 17.35 1.47 5 -5 6 14.39 1.34 -5 5 6 14.29 1.66 5 -5 -6 13.64 1.43 -5 5 -6 16.76 1.58 -5 -5 -6 14.73 1.49 5 -5 6 14.87 1.47 -5 -5 6 14.37 1.45 -5 -5 -6 14.98 1.55 -5 -5 -6 15.04 1.64 -5 5 6 14.89 1.57 5 5 -6 14.46 1.34 -5 -5 -6 16.12 1.36 5 5 6 15.64 1.62 -5 -5 6 13.47 1.54 5 -5 -6 17.28 1.54 5 -5 -6 16.39 1.52 5 5 6 13.71 1.52 -5 5 -6 14.50 1.59 -5 -5 6 14.73 1.47 5 5 6 15.71 1.42 -5 5 6 14.43 1.62 -5 5 -6 14.92 1.47 5 -5 6 14.32 1.50 5 5 6 17.23 1.58 -5 5 6 15.02 1.49 -5 5 -6 16.37 1.39 -5 5 6 16.68 1.62 5 -5 -6 13.05 1.53 -5 5 6 13.38 1.46 5 -5 -6 16.19 1.42 5 5 6 11.81 1.50 5 5 -6 15.53 1.45 -5 5 6 15.31 1.57 -5 -5 6 13.99 1.29 -5 5 -6 15.61 1.56 5 -5 6 14.70 1.51 -5 -5 -6 14.95 1.50 -5 -5 6 15.11 1.40 5 -5 6 16.08 1.58 -5 -5 6 14.05 1.43 5 5 -6 12.14 1.47 5 -5 7 17.90 1.70 -5 -5 7 16.47 1.82 -5 5 7 21.40 1.87 -5 5 -7 23.20 2.05 5 5 7 19.73 1.94 -5 -5 -7 17.21 1.94 5 -5 -7 22.20 1.87 5 -5 -7 18.05 1.69 5 5 -7 19.11 1.78 -5 -5 7 20.12 1.69 5 5 -7 18.35 1.76 -5 -5 -7 18.90 1.78 5 -5 7 18.05 1.80 5 5 7 19.55 1.72 -5 -5 7 16.59 1.72 -5 5 -7 18.48 1.88 -5 5 7 21.64 1.83 -5 5 -7 23.34 2.12 -5 5 7 17.84 2.00 5 -5 7 15.66 1.79 -5 -5 7 18.41 1.78 -5 -5 7 18.23 1.77 5 -5 -7 18.80 1.85 5 -5 7 17.79 1.85 -5 -5 -7 19.65 1.90 5 -5 -7 19.79 1.83 -5 5 -7 19.64 1.90 -5 -5 -7 18.94 1.65 5 5 -7 18.54 1.81 -5 5 -7 18.02 1.73 -5 -5 -7 20.81 1.93 -5 5 7 19.16 1.87 -5 -5 7 18.07 1.67 5 5 7 17.80 1.85 5 -5 7 17.24 1.79 5 5 7 21.14 1.86 -5 5 7 19.53 1.84 -5 5 7 20.11 1.91 -5 5 8 8.00 1.87 5 -5 8 5.48 1.63 -5 5 8 8.25 1.60 -5 5 8 6.65 1.66 5 5 8 9.62 1.71 -5 -5 8 4.32 1.30 -5 5 -8 6.54 1.54 -5 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32.55 2.44 -13 -5 -5 37.81 2.93 -13 5 5 35.05 2.93 13 5 5 33.42 2.36 -13 5 6 27.68 2.69 -13 -5 -6 26.44 2.29 13 -5 6 26.23 2.36 -13 5 -6 26.91 2.44 -13 -5 -6 27.26 2.64 -13 5 6 24.01 2.40 -13 -5 -6 23.97 2.30 13 -5 6 25.99 2.50 13 -5 6 26.73 2.26 -13 -5 6 27.94 2.53 13 5 6 25.71 2.45 -13 5 6 28.07 2.44 -13 5 6 30.99 2.39 -13 -5 -6 25.26 2.40 13 5 6 23.54 2.30 -13 5 -6 25.32 2.45 13 -5 -6 22.22 2.37 -13 5 -6 29.62 2.44 -13 5 6 25.11 2.64 -13 -5 6 27.06 2.35 -13 -5 6 27.21 2.10 13 -5 -6 26.71 2.57 13 5 -6 25.75 2.32 -13 5 -6 24.06 2.71 -13 -5 6 26.07 2.22 -13 -5 -6 24.56 2.42 -13 5 -6 25.72 2.41 -13 5 7 3.19 1.57 13 -5 -7 4.19 1.54 -13 5 -7 2.12 1.83 -13 5 7 5.64 1.89 -13 -5 -7 3.68 1.82 -13 -5 7 3.70 1.30 13 -5 7 4.35 1.44 -13 5 7 6.83 1.84 -13 -5 7 2.70 1.54 13 -5 7 3.73 1.70 -13 5 -7 4.30 1.71 -13 -5 7 4.17 1.62 13 5 -7 3.44 1.44 -13 -5 7 2.11 1.43 -13 -5 -7 4.97 1.54 -13 -5 -7 5.19 1.74 -13 -5 -7 4.10 1.54 13 5 7 2.78 1.70 -13 -5 7 5.12 1.72 -13 5 -7 5.66 1.92 13 -5 7 0.96 1.71 -13 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41.86 2.34 8 7 0 37.57 2.27 8 7 0 37.39 2.12 8 7 0 42.53 2.41 -8 7 0 40.59 2.45 8 -7 0 36.21 2.39 -8 7 0 42.80 2.36 -8 7 0 43.27 2.61 -8 -7 0 36.44 2.22 8 7 0 40.17 2.19 8 -7 0 40.86 2.31 -8 7 0 45.21 2.57 -8 7 0 42.06 2.56 8 -7 0 37.83 2.37 -8 -7 0 38.75 2.19 -8 7 0 36.37 2.44 -8 -7 0 36.84 2.15 -8 -7 0 40.17 2.28 -8 -7 0 38.88 2.12 8 -7 0 38.99 2.47 8 -7 0 37.01 2.49 8 7 0 37.86 2.21 -8 -7 0 37.45 2.29 -8 -7 0 34.39 2.17 -8 7 1 37.44 2.31 -8 7 -1 38.38 2.30 8 -7 1 33.23 2.21 8 7 -1 32.23 2.11 -8 -7 1 34.60 1.93 -8 -7 1 34.11 2.02 -8 -7 -1 34.95 1.92 8 7 1 31.69 2.02 8 -7 -1 35.19 2.25 -8 7 1 35.26 2.25 -8 -7 1 33.96 1.88 -8 7 1 34.61 2.36 8 7 -1 33.12 1.93 -8 7 -1 32.69 2.40 8 7 1 31.60 1.99 8 7 -1 34.58 1.91 -8 -7 -1 33.00 1.95 -8 7 -1 35.26 2.23 -8 7 -1 34.22 2.33 8 7 -1 29.41 1.84 -8 -7 -1 33.42 1.88 -8 -7 1 29.79 1.83 -8 7 -1 32.49 2.09 8 7 1 31.37 1.90 -8 7 1 35.22 2.13 -8 -7 -1 36.18 2.09 8 7 1 32.32 2.01 8 -7 1 32.60 2.24 -8 7 1 32.06 2.29 8 -7 1 33.62 2.26 8 -7 -1 31.11 2.21 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5.57 0.98 -2 -9 4 4.71 0.84 2 9 -4 3.82 0.74 2 9 -4 2.97 0.88 -2 9 4 1.78 0.91 2 9 4 2.90 1.09 2 -9 4 5.16 0.95 2 9 4 2.06 0.95 2 -9 -4 5.75 1.09 -2 -9 4 3.40 0.70 2 -9 4 4.09 0.94 -2 -9 5 71.27 4.13 -2 -9 5 76.83 4.17 2 -9 5 77.45 4.18 -2 9 5 71.22 4.30 -2 -9 5 75.39 3.96 2 -9 -5 77.44 4.02 -2 9 5 72.63 4.14 2 9 5 70.97 4.11 -2 9 -5 74.20 4.24 -2 -9 -5 76.24 4.29 -2 -9 -5 66.28 4.16 2 -9 5 75.61 4.25 2 9 5 76.43 4.19 -2 9 5 73.36 4.12 -2 -9 -5 76.64 4.02 -2 9 -5 77.07 4.04 2 9 5 68.67 4.35 -2 9 5 73.95 4.02 2 -9 5 73.33 4.00 -2 -9 5 75.43 3.89 -2 -9 -5 71.71 4.23 2 -9 -5 67.61 3.99 2 -9 5 72.64 3.95 2 -9 5 72.79 4.01 -2 9 5 79.73 4.21 -2 9 -5 72.26 3.97 2 -9 -5 73.87 4.17 2 -9 -5 68.93 4.21 2 9 -5 72.28 4.14 2 9 -5 74.35 3.93 2 9 5 74.91 4.27 2 9 -5 71.22 3.93 2 9 -5 75.33 3.99 -2 -9 5 68.55 4.05 -2 -9 5 72.03 4.14 -2 -9 -5 70.89 4.00 2 9 5 69.54 3.98 -2 9 5 70.44 4.06 2 -9 5 78.88 4.13 -2 -9 -5 69.92 4.06 -2 9 -5 74.19 3.99 -2 9 -5 74.89 4.17 2 -9 -5 77.28 4.08 2 -9 6 23.45 1.91 2 -9 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21.03 2.33 4 -12 11 20.49 2.47 4 -12 -11 20.02 2.36 -4 12 11 16.36 2.29 4 -12 -11 14.88 2.29 -4 12 -11 19.93 2.47 4 -12 -11 18.89 2.54 -4 -12 11 19.25 2.18 -4 -12 11 13.82 2.25 -4 12 11 21.60 2.83 -4 -12 -11 19.61 2.50 4 12 11 19.14 2.73 4 -12 11 20.97 2.53 -4 -12 -11 16.37 2.22 -4 -12 -11 17.62 2.63 -5 12 0 42.22 2.52 -5 12 0 41.46 2.75 5 -12 0 40.58 2.63 5 -12 0 44.03 2.50 5 -12 0 42.56 2.66 5 -12 0 43.65 2.56 -5 12 0 41.65 2.64 5 -12 0 46.94 2.67 -5 12 0 42.96 2.56 5 -12 0 47.59 2.83 -5 12 0 41.41 2.53 5 -12 -1 48.16 2.82 -5 -12 -1 42.92 2.52 5 -12 1 44.43 2.70 5 -12 1 50.47 2.76 5 -12 1 47.99 2.77 5 -12 1 44.95 2.57 5 -12 -1 43.07 2.73 -5 12 1 43.12 2.86 -5 12 1 42.45 2.81 -5 12 -1 49.32 2.63 5 -12 1 53.87 2.90 5 12 1 47.15 2.60 5 -12 1 46.41 2.65 5 -12 -1 43.80 2.76 -5 12 -1 46.78 2.61 5 -12 -1 43.74 2.68 -5 -12 -1 45.85 2.38 -5 12 1 44.45 2.61 5 -12 -1 48.03 2.89 5 -12 -1 46.54 2.61 -5 12 -1 44.53 2.79 5 12 1 45.32 2.42 -5 -12 -1 46.39 2.39 5 12 1 45.04 2.45 -5 12 1 44.93 2.61 -5 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1.94 6 -12 0 149.42 7.53 6 12 0 152.98 7.36 6 -12 0 155.77 7.95 6 -12 0 154.05 7.89 6 -12 0 139.26 7.49 -6 12 0 134.73 7.73 -6 12 0 147.75 7.48 6 -12 0 138.50 7.50 6 -12 0 143.86 7.74 -6 12 0 155.79 7.53 -6 12 0 139.42 7.51 -6 12 0 142.21 7.93 6 -12 0 148.81 7.77 -6 -12 -1 134.82 6.76 -6 12 1 135.88 6.93 -6 -12 -1 121.61 6.98 -6 12 -1 133.34 6.89 -6 12 -1 147.36 7.35 -6 12 1 139.97 7.14 6 -12 1 132.60 7.33 6 -12 -1 135.85 7.27 -6 -12 -1 133.78 6.97 6 12 1 134.68 7.12 -6 12 1 143.33 6.94 6 12 1 127.53 6.72 6 -12 -1 137.94 7.33 6 -12 -1 134.11 7.14 6 12 1 130.02 6.79 -6 12 -1 144.86 6.95 6 -12 1 132.99 7.27 -6 12 1 126.79 7.31 6 -12 1 135.87 7.12 6 12 1 138.14 7.15 -6 12 -1 137.54 6.94 6 -12 -1 137.63 6.93 -6 -12 -1 134.66 6.70 6 -12 -1 126.99 7.11 -6 -12 -1 132.11 6.77 6 -12 1 121.48 6.90 6 -12 1 130.35 6.93 6 12 1 138.07 6.78 -6 12 -1 136.14 7.16 6 -12 1 140.73 7.15 6 -12 -1 133.69 6.91 6 -12 1 134.74 6.91 -6 12 1 126.36 6.89 6 -12 -1 139.59 6.96 6 12 2 73.90 4.12 6 -12 -2 75.51 4.03 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20.40 2.26 -6 -12 -9 21.02 2.21 -6 -12 9 19.72 1.85 6 12 -9 17.12 2.03 6 -12 -9 19.66 2.30 -6 12 9 17.79 2.36 -6 12 9 19.29 2.10 -6 -12 -9 19.83 2.06 -6 -12 9 19.43 2.05 6 -12 -9 22.39 2.19 6 -12 9 17.67 2.19 6 12 9 22.13 2.44 -6 -12 -9 21.01 2.44 -6 -12 9 17.70 2.00 -6 12 -9 22.17 2.32 -6 -12 -10 7.99 2.21 6 -12 10 5.49 1.60 6 -12 -10 10.33 2.16 6 -12 -10 7.28 1.86 -6 -12 -10 6.53 1.93 -6 -12 10 8.43 1.47 -6 -12 -10 7.44 2.25 -6 -12 -10 9.54 1.82 -6 12 10 7.12 2.39 6 -12 10 8.35 1.99 6 12 10 11.30 2.36 -6 12 -10 3.88 1.97 -6 12 -10 5.42 2.07 -6 12 10 9.75 1.92 -6 -12 10 4.57 1.78 -6 -12 10 8.85 1.85 6 -12 -10 9.58 1.89 -6 -12 10 10.66 1.69 6 -12 10 5.24 1.99 6 12 10 7.94 2.07 6 -12 10 10.58 2.04 7 12 0 30.15 1.83 -7 12 0 34.72 2.35 7 12 0 28.22 1.72 7 -12 0 32.05 2.10 -7 -12 0 31.84 1.84 -7 12 0 31.29 2.05 7 -12 0 34.24 2.05 7 -12 0 33.91 2.18 7 -12 0 32.29 2.18 -7 12 0 35.57 2.17 -7 12 0 31.43 2.08 -7 -12 0 32.68 1.82 7 -12 0 29.88 2.18 -7 12 0 33.90 2.24 -7 -12 -1 35.54 2.12 -7 12 1 41.06 2.28 -7 12 1 38.14 2.27 7 12 1 33.93 2.06 7 -12 1 37.69 2.38 7 -12 -1 37.69 2.40 7 12 1 34.60 1.98 -7 -12 -1 32.07 1.96 7 12 1 38.06 2.24 -7 -12 -1 35.99 1.97 7 12 1 34.88 2.03 -7 12 -1 37.06 2.27 7 -12 1 33.80 2.42 -7 12 -1 36.70 2.36 7 -12 -1 39.36 2.38 7 -12 1 38.10 2.32 -7 12 1 38.28 2.41 -7 -12 -1 38.10 1.98 7 -12 -1 33.78 2.25 7 -12 -1 35.42 2.41 7 -12 1 36.59 2.43 -7 12 -1 33.15 2.38 -7 12 -1 38.47 2.51 -7 12 1 41.06 2.36 -7 12 -1 41.39 2.28 7 -12 -1 35.25 2.20 7 12 1 33.50 2.12 7 -12 1 32.16 2.18 -7 -12 -1 32.85 2.11 -7 12 1 39.30 2.51 7 -12 1 38.64 2.38 -7 -12 -2 26.01 1.57 7 -12 -2 22.74 1.71 -7 12 -2 23.83 2.04 -7 -12 -2 26.93 1.78 7 12 -2 27.07 1.41 -7 12 -2 26.77 2.07 -7 -12 -2 23.79 1.52 7 -12 2 25.31 2.13 -7 12 2 23.22 2.03 -7 12 -2 24.08 1.78 -7 12 2 26.97 1.83 7 -12 -2 25.63 2.01 7 -12 -2 22.88 1.79 7 -12 2 23.21 1.73 7 12 -2 29.67 1.51 -7 12 -2 23.71 1.97 7 12 2 22.70 1.63 7 -12 2 25.71 1.94 -7 12 -2 24.34 1.97 7 12 2 27.18 1.67 -7 -12 2 23.16 1.48 -7 12 2 32.41 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0.78 8 -12 3 73.87 3.83 -8 -12 -3 70.85 3.59 -8 12 -3 61.56 3.99 8 -12 3 66.23 3.67 8 -12 3 62.58 3.91 8 -12 3 64.74 3.81 8 -12 -3 64.38 3.91 8 12 -3 66.80 3.48 -8 12 -3 66.41 3.77 8 12 -3 68.02 3.47 8 12 3 67.76 3.58 -8 -12 3 57.70 3.58 -8 -12 3 64.40 3.61 8 -12 -3 63.17 3.70 -8 -12 3 65.92 3.59 8 12 -3 65.91 3.47 -8 -12 -3 68.83 3.67 8 -12 3 73.09 3.86 8 -12 -3 65.07 3.82 -8 -12 -3 64.65 3.70 -8 -12 -3 63.66 3.74 -8 -12 -3 67.74 3.76 -8 12 -3 66.68 3.94 -8 12 3 71.29 3.97 8 -12 -3 69.87 3.92 -8 12 3 65.28 3.73 8 12 -3 66.99 3.66 -8 12 3 70.74 3.77 -8 12 3 63.57 4.01 -8 12 3 58.61 3.75 -8 -12 -3 67.60 3.58 8 -12 -3 65.16 3.74 -8 12 -3 70.35 3.76 8 12 3 66.05 3.59 -8 -12 -3 68.60 3.57 8 12 3 70.14 3.81 -8 12 -3 66.35 3.73 -8 12 4 67.39 4.06 8 -12 4 74.91 4.09 -8 12 -4 79.02 4.17 -8 -12 4 66.74 3.81 -8 -12 -4 67.58 3.80 -8 -12 4 69.74 3.59 8 -12 -4 65.81 3.85 -8 12 4 69.13 4.21 8 -12 -4 72.08 4.11 -8 12 -4 75.75 3.93 -8 12 4 67.61 3.89 -8 12 4 69.47 3.95 8 -12 4 75.97 4.01 8 12 4 70.21 3.83 8 -12 -4 62.73 4.07 -8 12 -4 65.09 4.17 8 -12 -4 66.67 3.93 8 12 -4 68.75 3.68 8 -12 4 67.98 3.84 8 12 4 67.55 4.03 -8 -12 -4 73.82 3.93 8 12 -4 70.31 3.88 8 -12 4 72.46 4.01 8 -12 -4 68.11 3.92 -8 -12 -4 73.18 3.97 -8 -12 4 65.91 3.58 8 -12 4 65.46 4.09 -8 -12 -4 69.23 3.95 -8 12 4 67.13 3.92 -8 12 -4 69.98 3.91 -8 -12 4 64.51 3.79 -8 12 -4 71.91 4.00 -8 -12 -4 69.30 3.78 -8 -12 4 69.74 3.59 8 12 -4 65.91 3.69 -8 -12 -4 70.90 4.00 8 12 4 65.63 3.78 -8 12 5 89.70 5.89 -8 -12 5 102.92 5.56 -8 -12 -5 98.97 5.45 -8 12 5 113.30 5.64 -8 12 5 98.52 5.56 -8 12 -5 102.91 5.90 8 12 -5 103.76 5.64 -8 -12 -5 99.41 5.71 8 12 -5 100.44 5.37 -8 -12 5 102.90 5.29 8 12 5 105.03 5.79 -8 -12 5 106.46 5.30 -8 12 -5 92.54 5.59 8 12 5 107.14 5.47 8 -12 -5 107.93 5.84 8 -12 5 101.63 5.51 -8 -12 5 99.75 5.53 -8 12 -5 94.36 5.55 -8 12 5 99.34 5.62 -8 -12 -5 103.58 5.70 -8 12 -5 105.27 5.78 8 -12 5 99.25 5.57 8 12 -5 104.22 5.38 8 -12 5 95.42 5.80 -8 -12 -5 104.64 5.48 8 -12 5 109.92 5.74 -8 -12 -5 102.76 5.67 8 -12 5 109.74 5.66 8 12 5 105.12 5.51 8 -12 -5 108.98 5.59 -8 -12 5 96.45 5.28 8 -12 -5 98.73 5.57 8 -12 -5 107.90 5.75 -8 -12 -5 109.37 5.73 -8 12 5 104.43 5.77 8 -12 -5 99.54 5.53 8 -12 6 77.47 4.64 -8 -12 -6 74.55 4.38 -8 12 6 69.74 4.43 8 -12 -6 79.56 4.54 -8 12 -6 79.18 4.77 -8 -12 6 75.60 4.42 8 -12 -6 77.09 4.63 -8 12 6 69.36 4.82 8 -12 6 84.94 4.64 8 12 -6 77.37 4.25 -8 -12 6 77.42 4.14 8 -12 -6 76.73 4.41 8 -12 -6 75.03 4.65 -8 12 6 79.68 4.95 -8 -12 -6 78.53 4.32 -8 12 -6 81.56 4.48 -8 -12 6 72.89 4.43 8 12 6 79.71 4.46 -8 -12 -6 72.40 4.54 -8 12 6 80.62 4.53 -8 -12 -6 73.79 4.36 -8 12 -6 78.42 4.73 -8 -12 6 74.18 4.14 -8 12 6 84.37 4.59 -8 12 -6 79.16 4.52 8 -12 6 74.11 4.34 8 -12 6 75.85 4.55 8 -12 6 79.68 4.56 8 12 6 80.29 4.70 -8 -12 -6 72.46 4.59 8 12 -6 79.71 4.31 -8 -12 -6 78.04 4.33 -8 -12 6 82.06 4.21 8 12 6 77.45 4.35 8 12 -6 78.74 4.49 -8 12 6 77.96 4.60 -8 -12 -7 12.06 1.86 8 -12 7 12.73 1.57 8 -12 7 12.90 1.84 8 12 7 11.38 1.81 -8 -12 7 11.20 1.50 8 -12 7 15.55 1.88 8 12 7 10.30 1.60 -8 -12 7 14.91 1.34 -8 -12 -7 13.91 1.74 -8 12 7 14.18 1.57 -8 12 7 12.01 2.14 8 12 -7 14.75 1.65 8 -12 7 14.02 1.84 8 -12 -7 13.42 1.81 -8 12 -7 15.04 1.76 -8 12 -7 12.73 1.94 -8 -12 -7 14.16 1.69 -8 -12 -7 10.57 1.97 8 -12 -7 12.29 1.90 -8 -12 7 13.42 1.68 -8 12 -7 14.15 1.93 8 -12 -7 13.91 1.71 -8 12 7 14.68 1.99 -8 -12 7 12.77 1.32 -8 -12 7 11.51 1.58 -8 12 7 11.99 1.78 -8 12 7 14.66 1.90 -8 12 7 15.89 2.03 8 12 7 14.41 1.94 8 12 8 3.16 1.79 -8 12 8 8.61 1.88 -8 -12 -8 3.98 1.88 -8 12 8 0.68 1.59 8 -12 8 6.16 1.75 -8 -12 -8 5.36 1.50 -8 12 8 3.68 1.89 -8 -12 8 2.59 1.12 -8 -12 -8 8.09 1.85 -8 -12 -8 5.69 1.60 -8 -12 8 5.68 1.47 8 -12 -8 3.71 1.57 8 -12 -8 5.22 1.81 8 -12 -8 2.68 1.49 8 12 -8 4.06 1.51 -8 12 8 6.26 1.90 8 -12 8 4.80 1.68 8 -12 8 2.06 1.72 -8 12 -8 1.99 1.83 -8 -12 8 4.11 1.41 -8 12 -8 2.90 1.83 8 12 8 1.27 1.72 8 -12 8 3.93 1.38 -8 -12 8 6.46 1.23 -8 12 8 7.20 2.09 -8 12 -8 5.13 1.62 8 -12 9 20.01 2.35 -8 12 -9 21.61 2.30 -8 -12 9 20.21 1.82 -8 -12 9 23.96 2.08 -8 -12 -9 20.45 2.26 8 -12 -9 19.42 2.39 8 -12 -9 20.06 2.21 -8 12 -9 19.48 2.43 -8 -12 -9 23.75 2.19 -8 12 9 24.48 2.40 8 12 9 23.30 2.37 -8 -12 -9 22.46 2.52 -8 12 9 22.17 2.50 8 12 9 18.36 2.54 8 -12 9 20.53 2.36 8 -12 9 20.84 2.06 -8 12 9 21.76 2.72 -8 -12 -9 21.27 2.40 -8 -12 9 19.52 2.08 8 -12 -9 23.59 2.32 -8 12 9 20.67 2.27 -8 12 -9 23.58 2.48 -8 -12 9 20.27 1.89 -8 -12 -10 2.90 2.10 -8 -12 10 1.37 1.70 8 -12 -10 2.91 2.07 -8 12 10 2.57 2.21 -8 12 10 1.88 1.82 -8 -12 -10 0.69 1.83 8 -12 10 2.80 1.58 -8 -12 -10 4.29 1.73 -8 12 10 4.35 2.38 -8 12 10 1.79 2.02 8 -12 10 5.72 2.03 -8 -12 10 1.35 1.69 8 -12 10 2.12 1.96 -8 -12 10 2.78 1.50 8 12 10 0.51 1.97 -8 12 -10 1.64 1.93 8 -12 -10 5.79 1.87 8 12 10 5.06 2.26 -8 12 -10 2.44 2.11 -8 -12 -10 1.42 2.22 9 -12 0 27.14 1.77 -9 12 0 24.86 1.80 -9 12 0 27.41 2.10 9 -12 0 24.31 1.86 9 12 0 21.88 1.53 9 -12 0 25.75 2.00 -9 -12 0 24.02 1.56 9 12 0 22.70 1.53 -9 -12 0 22.78 1.59 9 -12 0 25.18 1.91 -9 12 0 27.02 2.15 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1.33 9 12 3 7.61 1.07 -9 12 3 6.23 1.34 9 -12 3 6.79 1.29 -9 12 3 6.82 1.20 -9 12 4 23.46 1.97 9 -12 4 23.19 2.09 -9 12 -4 26.52 2.28 -9 -12 -4 23.71 1.85 9 12 4 23.18 1.77 9 12 -4 23.67 1.61 -9 -12 -4 20.83 1.97 -9 12 4 28.47 2.34 -9 -12 4 20.60 1.47 9 -12 -4 26.12 1.99 -9 -12 -4 25.04 2.04 -9 -12 -4 23.97 1.76 -9 -12 4 22.94 1.46 -9 12 -4 21.32 1.92 9 -12 -4 24.76 2.14 9 12 4 21.30 1.95 -9 12 4 20.57 1.97 -9 12 -4 22.84 2.25 9 -12 -4 21.64 1.89 9 -12 4 26.08 2.13 -9 -12 4 24.13 1.74 9 -12 4 23.18 1.82 9 -12 -4 21.16 1.91 9 12 -4 22.66 1.74 -9 12 4 25.85 2.05 -9 12 4 25.05 1.96 9 -12 -4 21.35 2.05 -9 12 -4 25.78 2.00 -9 -12 4 22.61 1.76 -9 12 -4 25.64 2.19 -9 -12 -4 25.19 1.93 -9 -12 -4 23.87 1.78 9 -12 4 21.71 2.03 9 12 4 21.39 1.90 -9 -12 -4 24.20 1.79 9 -12 4 18.17 1.87 9 12 -4 18.70 1.73 9 -12 5 5.52 1.41 -9 12 5 8.32 1.77 9 -12 -5 6.35 1.37 9 12 -5 4.36 1.15 -9 12 -5 5.09 1.38 9 12 -5 6.70 1.16 9 -12 5 4.89 1.14 -9 12 5 6.10 1.42 -9 -12 5 5.66 1.15 -9 -12 -5 5.69 1.25 9 -12 -5 6.17 1.49 9 12 5 2.56 1.33 -9 -12 5 4.06 0.85 9 -12 -5 8.61 1.48 9 -12 5 5.15 1.35 -9 -12 -5 5.72 1.23 -9 -12 -5 4.76 1.23 9 12 -5 4.67 1.01 -9 12 -5 6.17 1.56 -9 -12 -5 4.19 1.36 -9 -12 -5 5.16 1.47 9 12 5 2.76 1.35 -9 -12 5 5.67 0.91 -9 12 5 6.98 1.43 -9 -12 5 6.02 1.19 -9 12 5 8.69 1.60 -9 12 5 6.79 1.43 9 12 5 4.68 1.13 9 -12 5 6.17 1.40 9 -12 5 6.59 1.50 -9 12 5 7.88 1.60 -9 12 -5 7.99 1.61 -9 -12 -5 4.88 1.15 -9 12 -5 6.25 1.54 9 -12 -5 6.71 1.32 9 -12 6 58.26 3.67 -9 12 6 57.25 3.51 -9 -12 -6 51.62 3.43 -9 12 6 56.00 3.90 -9 -12 -6 50.51 3.37 -9 12 -6 53.07 3.48 -9 -12 6 57.57 3.46 9 12 6 53.93 3.70 9 -12 6 57.85 3.67 -9 12 6 57.23 3.86 -9 12 6 61.40 3.73 9 -12 6 51.78 3.37 9 -12 6 52.65 3.58 -9 -12 6 62.35 3.26 9 12 6 50.71 3.46 -9 -12 6 58.98 3.13 9 12 -6 55.23 3.26 9 12 -6 55.21 3.44 -9 -12 -6 52.48 3.62 9 -12 -6 53.79 3.42 -9 -12 -6 54.95 3.54 -9 12 -6 58.22 3.67 9 -12 6 50.31 3.61 -9 12 6 58.04 3.61 -9 -12 6 59.96 3.40 -9 12 -6 53.23 3.77 -9 12 6 50.95 3.57 9 12 6 56.67 3.36 9 -12 -6 52.39 3.61 -9 -12 6 53.39 3.11 9 -12 -6 55.92 3.63 9 12 7 57.84 3.62 9 12 7 55.36 3.76 -9 -12 -7 50.85 3.40 9 -12 -7 50.81 3.46 9 12 -7 52.83 3.46 -9 12 7 57.42 3.76 -9 12 7 55.74 3.87 -9 -12 7 56.42 3.29 9 -12 7 48.82 3.70 -9 12 -7 48.27 3.81 9 -12 7 50.63 3.71 -9 -12 7 53.26 3.14 -9 -12 7 56.39 3.50 9 -12 7 48.91 3.36 -9 12 7 58.30 3.54 -9 12 -7 44.30 3.66 -9 12 -7 54.37 3.53 9 -12 -7 50.33 3.62 -9 -12 -7 54.23 3.53 -9 -12 -7 50.76 3.69 -9 -12 7 58.13 3.15 -9 -12 7 54.92 3.45 -9 12 7 56.73 3.71 9 -12 7 57.42 3.70 -9 12 7 58.10 3.80 9 -12 -7 55.92 3.69 -9 -12 -7 56.98 3.60 -9 -12 8 17.55 1.83 -9 -12 -8 19.33 2.02 9 -12 -8 13.81 1.96 -9 12 8 21.38 2.17 -9 -12 -8 18.12 2.11 9 -12 8 14.24 2.09 9 -12 -8 12.67 1.88 -9 -12 8 16.85 1.76 -9 -12 -8 18.94 2.26 -9 12 -8 14.06 1.95 -9 12 8 17.81 2.24 -9 -12 8 15.85 1.55 -9 12 -8 16.96 2.18 9 -12 8 15.41 2.09 -9 12 8 23.60 2.47 -9 12 8 16.04 2.22 -9 12 -8 12.04 2.13 9 -12 -8 19.69 2.20 9 12 8 15.61 2.08 9 -12 8 19.17 2.09 9 12 8 17.11 2.21 -9 -12 8 14.62 1.51 -9 -12 -8 16.33 1.88 9 -12 8 15.78 1.81 -9 12 8 18.76 2.07 -9 -12 -9 2.08 1.91 -9 12 -9 2.78 1.98 -9 -12 9 -0.62 1.17 9 -12 -9 -0.49 1.85 -9 12 -9 -0.24 1.82 -9 -12 9 -1.18 1.47 -9 -12 9 -1.90 1.51 9 -12 -9 1.84 1.65 9 -12 9 0.74 1.44 9 12 9 1.12 2.00 -9 -12 -9 2.84 1.73 -9 12 9 0.60 1.98 -9 -12 -9 -2.93 1.99 9 -12 -9 0.93 1.57 -9 12 -9 -1.29 1.63 -9 -12 9 1.43 1.27 -9 12 9 3.96 1.86 -9 -12 -9 4.16 1.60 9 12 9 -1.72 1.82 9 -12 9 2.48 1.83 9 -12 9 -0.30 1.77 -9 12 9 5.24 2.27 -10 -12 0 35.86 1.90 10 -12 0 33.62 2.21 -10 -12 0 35.63 2.09 10 -12 0 33.02 2.41 -10 12 0 37.41 2.31 10 12 0 32.16 2.03 -10 -12 0 30.62 2.10 10 -12 0 39.04 2.39 -10 12 0 36.53 2.59 -10 12 0 32.70 2.38 10 -12 0 33.43 2.41 -10 -12 0 34.60 1.93 -10 12 0 39.01 2.51 -10 -12 0 35.47 1.94 10 -12 0 37.77 2.52 10 12 0 35.73 2.09 -10 12 0 32.27 2.26 10 12 0 32.80 1.93 10 -12 1 122.71 6.43 -10 12 1 109.36 6.38 -10 -12 -1 124.55 6.15 -10 -12 1 106.27 6.36 -10 -12 -1 125.45 6.18 10 -12 -1 123.03 6.71 -10 12 1 108.11 6.77 10 -12 1 125.98 6.73 10 -12 1 133.00 6.46 10 12 1 125.32 6.53 10 -12 1 121.83 6.38 -10 12 -1 117.77 6.40 10 -12 1 126.83 6.63 10 -12 -1 122.64 6.44 -10 12 -1 122.32 6.63 -10 12 -1 121.25 6.81 -10 -12 -1 111.86 6.39 10 12 1 125.27 6.21 -10 12 -1 114.20 6.40 -10 12 1 131.68 6.43 10 -12 -1 121.32 6.39 10 -12 -1 126.27 6.60 -10 -12 1 116.83 6.35 10 12 -1 127.07 6.15 10 12 -1 120.30 6.17 10 12 1 124.19 6.19 -10 12 -1 122.93 6.40 -10 12 1 118.36 6.41 -10 -12 -1 118.81 6.41 -10 12 1 124.39 6.65 -10 -12 -1 124.55 6.19 10 12 -1 123.82 6.49 10 -12 -1 129.31 6.47 -10 12 2 36.36 2.53 -10 12 2 30.88 2.60 -10 12 -2 31.21 2.54 -10 -12 2 33.04 2.12 -10 12 -2 33.06 2.26 -10 12 -2 36.32 2.30 10 -12 2 31.94 2.40 10 12 -2 33.30 2.05 -10 -12 -2 35.88 2.04 -10 12 2 35.87 2.50 -10 -12 -2 33.93 1.97 -10 12 2 36.93 2.31 10 12 -2 35.23 2.02 10 -12 2 32.89 2.43 -10 12 -2 30.58 2.49 10 -12 -2 31.43 2.43 -10 -12 -2 30.98 2.01 10 -12 -2 32.10 2.49 10 12 2 35.25 2.05 -10 -12 -2 35.66 2.09 10 12 2 31.45 2.15 -10 12 2 34.63 2.29 10 12 2 32.39 2.20 -10 12 -2 37.55 2.53 10 -12 2 37.98 2.39 -10 -12 2 34.53 2.04 -10 -12 -2 31.59 2.20 10 -12 2 32.50 2.51 10 12 -2 34.53 1.94 -10 12 -2 32.46 2.64 -10 -12 -2 31.62 2.20 10 -12 2 34.93 2.21 10 -12 -2 34.96 2.22 10 -12 -2 32.35 2.34 10 -12 -2 32.11 2.43 10 12 -3 19.46 1.41 -10 -12 3 20.36 1.26 -10 12 -3 15.86 1.78 10 -12 3 21.01 1.71 -10 -12 3 18.70 1.20 -10 12 3 21.39 1.97 10 -12 -3 22.19 2.01 -10 -12 -3 19.80 1.69 10 -12 3 18.50 1.72 -10 -12 -3 19.84 1.59 10 12 -3 19.79 1.52 10 -12 -3 20.95 1.99 10 -12 3 19.79 1.81 10 -12 3 21.09 1.90 -10 12 -3 19.45 1.77 -10 12 -3 21.05 1.90 -10 12 3 20.47 1.85 -10 -12 -3 18.85 1.56 -10 12 -3 21.17 1.82 -10 -12 -3 19.20 1.80 10 12 3 16.70 1.77 -10 12 3 24.40 2.21 10 12 3 19.57 1.53 10 -12 -3 17.84 1.73 -10 -12 -3 18.93 1.84 10 -12 3 22.89 1.77 -10 -12 3 19.25 1.59 10 12 3 20.17 1.75 10 -12 -3 20.47 1.90 10 12 -3 20.16 1.53 10 -12 -3 18.80 1.86 -10 12 3 21.35 1.87 -10 -12 -3 19.52 1.55 -10 12 -3 17.42 1.93 -10 -12 3 20.44 1.54 -10 12 3 18.56 1.84 10 -12 -4 51.19 3.32 10 12 4 49.74 3.12 -10 -12 4 52.25 2.75 10 -12 -4 54.21 3.35 -10 12 4 59.00 3.51 -10 -12 4 51.64 2.74 10 12 4 49.30 3.21 10 -12 4 48.86 3.05 10 -12 4 48.58 3.24 -10 12 -4 47.36 3.13 -10 -12 -4 52.82 3.04 -10 12 4 53.16 3.34 -10 12 -4 46.84 3.36 10 -12 4 47.31 3.27 -10 12 -4 47.68 3.46 -10 12 4 54.27 3.58 -10 12 -4 43.37 3.32 -10 -12 -4 54.03 3.04 -10 12 4 53.77 3.23 -10 12 4 54.93 3.20 -10 -12 4 51.32 3.06 10 12 -4 50.45 3.02 -10 -12 -4 50.85 2.98 10 -12 4 45.56 3.24 -10 -12 4 59.25 3.02 10 12 -4 50.35 2.87 -10 12 -4 47.44 3.14 10 -12 -4 47.05 3.07 -10 -12 -4 51.16 3.21 10 -12 -4 54.62 3.34 -10 -12 -4 48.50 2.95 -10 -12 -4 51.34 3.11 10 -12 4 48.81 3.37 -10 -12 -4 49.15 3.17 10 12 4 45.61 2.94 -10 -12 5 45.23 2.92 -10 -12 -5 46.32 3.19 10 -12 -5 44.16 3.14 -10 12 5 49.37 3.43 10 12 5 47.74 2.88 -10 12 5 51.63 3.34 -10 12 -5 48.95 3.11 -10 12 5 44.90 3.45 -10 -12 -5 52.25 3.01 -10 12 -5 45.85 3.26 10 12 5 47.00 3.05 -10 12 5 46.79 3.06 -10 -12 -5 44.65 3.04 -10 12 5 47.37 3.17 10 -12 5 45.83 3.18 10 -12 -5 44.13 3.01 -10 -12 5 46.18 2.64 10 12 -5 43.35 2.78 10 -12 5 51.99 3.29 -10 12 5 48.78 3.29 10 12 -5 46.13 2.94 10 12 5 44.41 3.13 -10 12 -5 48.83 3.38 10 -12 5 47.53 3.29 10 -12 5 48.37 3.31 10 -12 -5 42.98 3.17 -10 -12 -5 45.78 2.89 -10 -12 5 47.42 2.94 -10 12 -5 42.25 3.34 -10 -12 -5 42.83 3.12 -10 -12 5 47.86 2.64 10 -12 5 44.09 2.95 10 12 6 57.33 3.81 10 -12 -6 57.06 3.80 -10 12 -6 58.77 3.86 -10 12 6 57.57 4.09 -10 -12 6 59.35 3.26 10 12 6 58.81 3.65 10 -12 6 52.83 3.80 -10 12 6 59.41 4.01 10 -12 6 55.68 3.79 10 -12 6 54.59 3.77 -10 -12 -6 60.00 3.52 10 -12 6 62.23 3.88 -10 12 6 60.76 3.88 10 -12 6 55.43 3.52 -10 -12 -6 58.52 3.76 10 -12 -6 52.56 3.57 -10 -12 -6 60.95 3.71 10 12 -6 59.70 3.61 -10 12 -6 56.00 3.93 -10 -12 6 59.04 3.29 -10 12 6 60.25 3.90 -10 12 6 56.60 3.63 -10 12 6 61.16 3.71 10 -12 -6 54.66 3.78 -10 12 -6 58.79 3.65 -10 -12 -6 58.87 3.65 -10 -12 6 63.17 3.62 -10 -12 6 60.95 3.57 -10 -12 7 13.16 1.34 -10 -12 7 11.65 1.62 -10 12 -7 11.32 1.82 -10 12 -7 13.47 2.05 10 -12 7 9.54 1.82 10 12 7 12.24 1.98 10 -12 7 14.57 1.93 -10 -12 -7 12.64 1.98 -10 12 7 9.84 2.23 -10 12 -7 7.12 1.93 -10 12 7 15.51 2.08 -10 12 7 12.03 2.05 10 -12 7 15.19 1.69 -10 -12 -7 14.72 1.68 10 -12 7 13.80 1.95 10 -12 -7 16.72 1.81 -10 12 7 13.60 1.75 10 12 7 13.81 1.89 -10 -12 -7 13.69 1.86 10 -12 -7 11.01 1.79 -10 -12 7 12.38 1.68 10 -12 -7 13.23 1.98 -10 12 7 13.19 1.89 -10 -12 -7 14.37 1.74 -10 -12 7 10.37 1.18 -10 -12 7 13.73 1.51 10 -12 -8 17.41 2.13 10 -12 8 21.72 2.26 -10 12 -8 20.25 2.39 10 12 8 16.59 2.18 -10 -12 8 18.53 1.82 -10 12 8 20.28 2.61 -10 12 8 17.69 2.33 -10 -12 8 24.02 1.90 -10 12 8 18.84 2.19 -10 -12 -8 19.92 2.09 -10 12 -8 19.87 2.32 -10 12 -8 20.85 2.19 -10 -12 -8 20.42 2.25 10 -12 -8 21.83 2.12 -10 -12 8 17.52 1.73 10 12 8 19.44 2.33 10 -12 -8 20.41 2.32 10 -12 8 18.64 1.97 10 -12 8 18.66 2.25 -10 -12 -8 20.03 2.02 -10 -12 -8 19.42 2.35 -10 -12 8 19.79 1.97 -10 12 -9 5.04 2.07 10 12 9 4.30 1.94 -10 12 -9 2.16 1.75 -10 -12 9 2.64 1.62 10 12 9 4.85 2.05 -10 -12 -9 3.41 1.76 -10 12 9 4.26 2.32 10 -12 9 2.31 1.91 -10 12 9 0.86 2.05 -10 -12 9 2.01 1.25 10 -12 -9 3.94 1.72 -10 12 9 -0.62 1.81 10 -12 9 3.29 1.90 -10 12 -9 2.17 1.94 10 -12 -9 4.72 2.05 -10 -12 9 2.52 1.24 -10 -12 -9 3.62 1.63 -10 -12 9 2.22 1.53 -10 -12 -9 4.21 1.97 10 -12 9 0.63 1.47 -10 -12 -9 3.62 2.09 11 12 0 3.90 0.81 -11 -12 0 3.80 0.93 -11 12 0 6.92 1.21 -11 12 0 4.48 1.39 -11 12 0 7.17 1.37 11 -12 0 6.54 1.23 11 12 0 5.62 0.82 11 -12 0 6.93 1.16 -11 -12 0 4.31 0.87 11 -12 0 4.36 1.14 11 12 0 5.04 0.67 -11 12 0 5.55 1.14 11 -12 0 4.20 1.02 -11 -12 0 4.48 0.70 -11 -12 0 6.18 0.63 11 -12 0 4.45 1.30 -11 -12 0 4.69 0.75 -11 12 0 5.58 1.43 11 -12 -1 12.64 1.50 11 -12 1 15.97 1.41 -11 -12 -1 12.74 1.17 -11 12 -1 14.64 1.74 11 12 1 12.46 1.17 -11 12 1 13.40 1.61 11 -12 1 18.31 1.54 -11 12 -1 15.38 1.64 11 -12 1 14.40 1.52 -11 12 -1 15.43 1.76 11 12 1 13.09 1.21 11 12 -1 12.95 1.24 -11 12 1 16.00 1.48 -11 -12 -1 13.46 1.26 -11 -12 -1 13.99 1.21 -11 12 1 14.96 1.49 -11 -12 -1 12.95 1.15 -11 12 1 17.81 1.80 -11 -12 1 14.09 1.31 11 -12 1 15.33 1.53 11 12 -1 15.39 1.32 11 -12 -1 13.59 1.52 -11 12 -1 11.32 1.43 11 12 1 14.04 1.20 11 -12 -1 17.74 1.51 11 -12 -1 17.07 1.60 -11 -12 1 12.02 0.96 11 -12 1 14.17 1.56 -11 -12 -1 14.33 1.15 11 12 -1 14.31 1.12 -11 12 1 12.64 1.62 -11 -12 1 13.43 1.18 -11 12 -1 15.24 1.47 -11 12 -1 14.10 1.63 11 -12 -1 14.59 1.39 11 -12 2 5.01 1.23 11 -12 -2 5.30 1.24 11 -12 -2 2.19 1.06 11 -12 2 2.97 1.30 -11 12 2 5.06 1.51 -11 12 2 5.07 1.41 -11 -12 -2 3.34 0.73 11 -12 -2 2.76 1.29 11 12 2 0.83 0.94 11 -12 -2 3.86 1.20 -11 12 -2 4.04 1.49 11 -12 -2 2.72 1.05 11 12 2 2.95 0.79 -11 12 2 3.33 1.21 11 12 -2 4.31 0.77 11 12 2 1.26 0.93 -11 12 2 4.78 1.41 11 -12 2 4.91 1.16 -11 12 -2 3.49 1.11 -11 -12 2 3.33 0.52 11 -12 2 3.34 1.01 -11 12 2 4.96 1.19 -11 -12 -2 4.71 0.97 11 12 -2 3.90 0.70 -11 -12 -2 2.72 0.94 -11 -12 -2 5.60 0.88 -11 12 -2 2.68 1.18 -11 -12 2 5.61 0.84 -11 12 -2 3.43 1.35 -11 -12 2 3.03 0.90 -11 -12 -2 4.60 1.07 -11 12 -2 2.88 1.39 11 -12 2 3.10 1.23 -11 12 3 62.72 3.63 -11 -12 -3 59.34 3.36 -11 12 3 63.56 3.51 11 12 3 56.62 3.49 -11 12 -3 57.80 3.79 -11 12 -3 62.80 3.55 -11 12 3 56.49 3.49 -11 -12 3 59.76 3.30 -11 12 -3 55.92 3.57 -11 -12 3 59.73 3.04 -11 -12 3 61.58 3.07 11 12 -3 55.17 3.33 11 -12 -3 58.93 3.81 -11 -12 -3 55.85 3.43 11 -12 -3 57.80 3.45 11 12 3 59.81 3.27 11 -12 3 58.71 3.59 11 -12 3 53.48 3.59 -11 -12 -3 55.21 3.32 -11 12 -3 61.72 3.73 11 -12 3 59.23 3.64 -11 -12 -3 55.82 3.49 -11 -12 3 54.48 3.32 -11 12 -3 58.32 3.49 11 -12 -3 53.03 3.63 11 -12 3 58.34 3.64 11 12 3 59.45 3.37 11 -12 -3 52.50 3.62 -11 12 3 51.72 3.76 -11 -12 -3 60.37 3.27 -11 -12 -3 58.95 3.28 -11 12 3 56.83 3.80 11 -12 3 54.58 3.39 11 12 -3 60.85 3.18 -11 12 -4 50.54 3.47 -11 -12 -4 48.86 3.24 -11 12 -4 51.29 3.37 -11 12 4 48.01 3.13 -11 12 4 50.91 3.16 11 -12 -4 45.89 3.26 -11 12 -4 50.57 3.47 -11 -12 4 46.55 2.97 11 12 -4 50.62 3.01 11 -12 4 54.27 3.39 11 12 4 46.66 3.07 -11 -12 4 52.28 3.07 -11 12 -4 48.06 3.13 11 -12 4 48.26 3.26 -11 12 4 51.61 3.59 11 12 4 47.97 3.18 -11 -12 -4 46.17 2.92 11 -12 -4 47.29 3.10 11 -12 4 49.38 3.40 11 12 4 45.01 2.92 -11 12 4 53.59 3.67 -11 -12 -4 49.54 2.94 -11 -12 -4 50.23 3.16 -11 -12 -4 51.20 3.07 11 -12 -4 49.29 3.33 11 -12 4 49.93 3.07 -11 12 4 46.18 3.32 -11 12 -4 48.83 3.17 -11 -12 -4 51.13 3.01 -11 -12 4 53.83 2.72 -11 12 4 51.58 3.48 11 -12 4 48.91 3.25 -11 -12 4 46.35 2.69 11 12 -4 48.64 2.85 11 -12 -5 15.08 1.85 -11 -12 -5 20.43 1.65 -11 12 -5 16.80 1.87 11 -12 5 16.11 1.98 11 -12 5 21.28 1.99 11 -12 5 13.58 1.87 -11 12 5 19.39 2.12 -11 -12 5 20.20 1.66 -11 -12 5 16.47 1.46 11 12 -5 18.11 1.80 -11 -12 -5 18.16 1.68 -11 12 5 16.42 2.21 11 -12 -5 21.37 1.86 -11 -12 -5 18.24 1.91 -11 12 -5 14.90 2.01 -11 12 -5 17.32 2.12 -11 12 5 19.30 1.93 -11 -12 5 19.77 1.65 -11 -12 5 16.90 1.60 -11 12 5 16.99 1.91 11 -12 -5 17.49 1.98 11 -12 5 21.34 1.79 -11 12 -5 13.18 1.97 -11 12 5 15.98 2.04 11 -12 5 18.92 1.93 -11 -12 5 17.08 1.47 11 12 5 20.42 1.81 11 12 5 19.21 1.85 -11 12 5 20.21 2.11 -11 -12 -5 18.00 1.78 11 -12 -6 8.27 1.80 -11 -12 6 7.30 1.08 11 -12 6 10.75 1.50 -11 -12 6 7.82 1.40 -11 12 -6 7.70 1.81 11 -12 -6 9.16 1.62 11 -12 6 11.42 1.71 11 12 6 6.48 1.64 -11 -12 6 9.87 1.44 11 -12 -6 8.09 1.56 -11 -12 -6 8.14 1.49 -11 12 6 10.88 1.97 -11 12 6 8.96 2.10 -11 12 6 9.09 1.71 -11 -12 -6 11.93 1.79 -11 12 6 8.67 1.86 -11 -12 -6 8.36 1.61 11 -12 6 7.52 1.77 11 12 6 6.88 1.63 -11 12 -6 10.37 1.94 -11 12 6 6.98 1.68 -11 12 -6 7.83 1.65 -11 -12 -6 9.41 1.42 -11 12 7 7.29 1.97 11 -12 -7 5.85 1.62 -11 -12 -7 7.59 1.76 -11 12 7 5.30 1.74 -11 -12 -7 7.87 1.51 -11 -12 7 8.34 1.57 -11 12 -7 8.45 1.70 11 12 7 4.80 1.82 -11 -12 7 8.15 1.16 -11 -12 -7 7.32 1.87 11 -12 7 6.52 1.77 11 -12 7 3.92 1.73 -11 12 7 5.53 1.94 -11 12 7 6.22 1.61 -11 12 -7 8.88 1.89 -11 12 7 7.80 2.12 11 -12 -7 7.91 1.63 11 -12 -7 7.38 1.83 -11 12 -7 4.87 1.89 -11 -12 7 7.65 1.47 11 -12 7 6.89 1.47 11 12 7 6.37 1.72 -11 -12 -7 6.72 1.56 11 -12 8 3.32 1.80 -11 -12 -8 3.08 1.47 -11 12 -8 1.94 1.88 11 12 8 2.10 1.78 -11 12 8 6.76 1.99 11 -12 -8 3.93 1.63 11 -12 -8 5.44 1.90 -11 -12 8 1.77 1.52 -11 12 8 10.74 2.30 -11 -12 -8 5.51 1.65 -11 12 -8 4.79 1.96 11 -12 8 3.91 1.49 -11 12 8 9.54 1.84 -11 12 8 4.41 1.53 -11 -12 8 3.61 1.15 -11 -12 -8 3.58 1.83 -11 -12 -8 3.38 1.96 11 12 8 5.14 1.84 -11 -12 8 4.98 1.46 11 -12 8 4.72 1.82 -11 12 -8 3.36 1.72 -11 -12 -9 5.85 1.69 -11 12 -9 6.67 2.21 11 -12 9 3.63 1.98 -11 12 -9 5.90 1.90 -11 12 9 5.99 2.43 -11 -12 -9 6.66 2.19 -11 12 -9 4.93 2.04 -11 -12 9 5.23 1.71 -11 12 9 4.50 2.21 11 12 9 0.99 1.93 11 -12 -9 5.34 1.85 11 -12 -9 7.99 2.14 11 -12 9 5.94 2.02 11 12 9 6.04 2.15 -11 12 9 4.28 1.97 -11 -12 9 5.94 1.63 -11 -12 -9 7.68 2.07 11 -12 9 6.93 1.67 -12 -12 0 39.31 2.32 12 12 0 39.63 2.50 -12 -12 0 37.82 2.52 12 12 0 40.26 2.33 12 -12 0 40.89 2.93 -12 12 0 43.95 2.74 -12 12 0 45.12 3.08 12 -12 0 38.95 2.62 -12 -12 0 38.65 2.35 -12 -12 0 45.72 2.57 12 -12 0 46.75 2.99 12 -12 0 40.33 2.78 -12 12 0 36.27 3.02 -12 12 0 38.65 2.91 -12 -12 0 39.68 2.27 -12 12 0 36.72 2.66 -12 12 1 201.37 10.36 -12 12 1 186.64 10.03 -12 -12 1 197.73 9.74 -12 -12 -1 190.67 10.11 -12 12 -1 199.36 10.03 12 -12 1 189.15 10.52 12 12 1 192.78 10.33 -12 -12 -1 202.78 9.80 -12 12 1 198.00 10.05 -12 -12 -1 175.54 10.12 12 12 1 198.70 9.83 12 -12 1 191.06 10.00 -12 -12 -1 201.56 9.74 -12 -12 1 179.19 10.07 12 -12 1 206.99 10.35 -12 12 1 186.93 10.57 -12 12 -1 195.38 10.37 12 12 -1 198.74 9.81 12 -12 -1 202.91 10.03 -12 -12 1 194.06 9.76 -12 12 -1 187.20 10.04 12 -12 -1 196.29 10.52 -12 12 -1 206.29 10.05 -12 -12 -1 196.69 9.81 12 -12 -1 212.72 10.37 12 12 1 195.76 9.78 12 -12 1 197.13 10.08 -12 12 -1 184.44 10.56 12 -12 1 205.44 10.03 12 -12 -1 197.51 10.02 -12 12 1 170.54 9.97 -12 12 -1 187.18 10.57 -12 -12 1 175.08 10.09 12 12 -1 198.56 10.29 -12 -12 2 60.74 3.16 -12 12 2 56.98 3.87 12 12 2 57.98 3.31 -12 -12 -2 66.65 3.33 -12 -12 -2 60.58 3.32 -12 -12 2 55.91 3.38 12 -12 2 61.02 3.72 -12 12 2 60.38 3.59 12 -12 -2 56.24 3.78 12 -12 2 59.15 3.77 12 -12 2 59.48 3.75 -12 12 -2 57.85 3.59 -12 12 -2 50.78 3.79 -12 12 2 64.34 3.61 12 -12 2 55.90 3.50 12 12 2 58.10 3.40 -12 12 2 66.98 3.84 12 12 -2 57.91 3.41 -12 -12 -2 68.39 3.59 -12 -12 -2 68.52 3.36 -12 -12 -2 55.30 3.50 -12 12 2 59.03 3.93 12 -12 -2 62.16 3.84 12 -12 -2 61.65 3.57 12 12 -2 55.35 3.26 -12 -12 -2 60.18 3.30 12 -12 -2 64.83 3.80 -12 12 -2 58.49 3.60 -12 -12 2 60.17 3.47 12 12 2 54.08 3.53 -12 -12 2 58.61 3.12 -12 12 -2 60.93 3.95 -12 12 -2 58.17 3.69 -12 -12 -3 40.99 2.62 12 -12 -3 37.22 2.75 12 12 3 39.19 2.59 -12 -12 -3 47.49 2.69 -12 12 3 50.62 2.92 -12 12 -3 38.82 2.87 -12 12 3 51.12 3.27 12 -12 -3 37.67 2.95 -12 -12 -3 41.80 2.58 -12 -12 3 40.93 2.36 12 -12 -3 44.86 3.13 -12 12 -3 38.62 3.12 -12 12 -3 45.46 3.10 12 -12 3 38.04 3.02 -12 12 -3 42.31 3.22 12 12 3 38.15 2.80 12 -12 3 37.03 2.96 12 -12 3 37.21 2.73 -12 -12 3 39.20 2.36 -12 12 3 55.65 3.22 -12 -12 3 46.52 2.65 -12 12 -3 40.00 2.84 -12 12 3 53.52 3.32 -12 -12 3 42.43 2.33 -12 -12 -3 50.74 2.90 12 12 3 41.05 2.76 12 -12 3 37.61 3.12 -12 -12 3 48.19 2.72 -12 -12 -3 38.87 2.81 12 12 -3 38.07 2.48 -12 12 3 50.85 2.90 12 12 -3 40.94 2.62 -12 12 4 29.97 2.98 -12 -12 -4 35.98 2.69 12 -12 -4 36.80 2.79 -12 12 -4 35.99 3.06 -12 -12 4 37.78 2.17 12 -12 -4 44.13 2.98 -12 12 -4 35.98 3.01 -12 12 -4 38.78 2.89 12 -12 4 35.27 2.57 -12 -12 -4 39.45 2.54 -12 -12 4 36.22 2.49 -12 -12 -4 36.51 2.56 -12 -12 4 40.20 2.20 12 -12 4 40.07 2.89 -12 12 -4 39.85 2.73 -12 12 4 41.53 2.71 -12 12 4 39.30 3.18 -12 -12 -4 36.22 2.45 12 12 4 41.52 2.68 12 -12 -4 35.77 2.58 -12 12 -4 36.66 2.69 -12 12 4 34.82 2.65 12 -12 4 37.05 2.96 -12 12 4 32.62 3.12 -12 -12 4 38.07 2.57 12 -12 4 33.01 2.77 -12 -12 -4 36.26 2.71 -12 12 4 42.92 3.24 12 12 4 35.12 2.71 12 12 5 14.13 1.72 -12 12 -5 12.69 2.03 12 -12 -5 11.89 1.66 -12 -12 -5 13.05 1.81 12 -12 -5 13.53 1.89 -12 -12 -5 12.17 1.51 12 -12 5 11.31 1.85 12 -12 5 12.00 1.78 -12 12 5 14.39 2.00 12 12 5 12.23 1.73 -12 -12 5 13.14 1.50 -12 -12 -5 14.69 1.72 -12 12 5 17.04 1.84 12 -12 -5 14.44 1.79 -12 -12 5 14.73 1.22 -12 -12 5 13.46 1.52 12 -12 5 14.83 1.63 -12 12 -5 17.22 1.81 -12 12 5 15.93 2.05 -12 -12 -5 14.60 1.49 -12 12 5 13.19 1.99 -12 -12 5 15.66 1.57 -12 -12 5 15.89 1.25 -12 12 -5 14.92 1.99 -12 12 5 14.97 2.14 -12 12 6 9.98 1.99 12 12 6 9.45 1.74 12 -12 -6 12.66 1.94 12 -12 -6 11.32 1.70 12 -12 6 9.25 1.88 -12 12 6 12.77 1.90 -12 -12 -6 11.25 1.50 -12 -12 -6 10.89 1.60 -12 -12 6 11.48 1.49 -12 -12 -6 9.71 1.70 -12 12 6 13.40 2.02 -12 12 -6 10.10 1.94 -12 12 6 11.51 1.81 -12 12 6 10.46 2.14 -12 -12 -6 8.21 1.80 -12 12 -6 13.57 1.78 12 -12 6 10.26 1.80 -12 -12 6 13.49 1.21 12 12 6 9.71 1.75 -12 12 -6 9.63 1.96 12 -12 6 11.09 1.58 -12 -12 6 11.33 1.55 12 -12 -6 11.84 1.74 -12 12 -7 26.19 2.54 -12 12 7 23.58 2.75 -12 12 7 27.54 2.63 -12 12 -7 30.20 2.87 -12 -12 7 23.43 2.40 -12 -12 7 27.04 2.40 -12 12 7 25.62 2.64 12 12 7 27.57 2.75 -12 -12 7 27.44 2.04 12 -12 7 28.12 2.54 12 -12 -7 26.17 2.47 12 -12 -7 25.83 2.58 12 12 7 27.81 2.61 -12 -12 -7 26.35 2.41 12 -12 7 30.74 2.42 -12 -12 -7 28.96 2.51 -12 -12 -7 27.34 2.54 12 -12 -7 30.09 2.59 -12 -12 -7 24.92 2.35 -12 12 7 28.32 2.66 -12 12 7 28.96 2.71 12 -12 7 26.84 2.66 -12 12 -7 29.03 2.61 -12 12 -8 10.62 2.25 12 -12 -8 17.79 2.27 -12 -12 -8 18.38 1.92 -12 -12 8 16.62 1.55 -12 12 8 10.58 2.06 12 -12 8 14.94 1.86 -12 -12 -8 12.91 2.22 -12 12 8 15.90 2.55 -12 12 8 16.45 2.32 -12 12 8 16.44 1.97 -12 -12 8 13.15 1.74 -12 -12 -8 12.38 2.09 -12 12 -8 14.09 2.30 12 -12 -8 15.63 2.06 -12 -12 8 12.10 1.82 -12 12 -8 16.42 2.09 12 -12 8 14.74 2.20 12 -12 8 15.01 2.20 12 12 8 14.98 2.28 12 12 8 16.38 2.20 -12 -12 -8 15.85 2.01 -13 12 0 125.94 7.38 -13 -12 0 121.58 7.13 13 12 0 136.35 7.25 13 -12 0 140.67 7.12 -13 -12 0 144.76 6.84 13 12 0 138.06 6.89 -13 12 0 124.12 7.17 -13 12 0 128.10 7.55 13 -12 0 141.10 7.22 -13 -12 0 134.47 7.11 -13 12 0 132.38 7.13 -13 -12 0 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8.36 1.28 -12 -13 4 8.46 1.19 -12 -13 -4 10.39 1.41 12 -13 5 9.16 1.45 -12 -13 5 9.65 1.34 -12 13 5 8.40 1.87 -12 13 -5 10.03 1.64 12 13 5 10.12 1.59 -12 -13 -5 8.68 1.65 -12 13 5 8.02 1.80 12 -13 5 8.24 1.77 -12 -13 -5 9.17 1.42 -12 13 5 11.19 1.72 -12 -13 5 8.49 1.34 12 -13 -5 6.90 1.50 12 -13 -5 10.28 1.77 -12 -13 5 9.22 0.98 12 13 5 8.33 1.58 -12 -13 5 9.14 0.98 -12 13 5 9.37 2.04 -12 13 5 8.77 1.89 -12 -13 -5 8.17 1.29 12 -13 5 9.28 1.63 12 -13 -5 8.09 1.60 -12 -13 -5 9.50 1.57 -12 13 -5 6.24 1.75 -12 -13 5 12.06 1.40 -12 13 -5 10.71 1.94 -12 13 -6 5.38 1.57 -12 -13 6 4.19 1.38 -12 -13 6 4.14 0.96 12 -13 -6 4.82 1.52 -12 13 6 8.77 1.95 -12 13 6 7.54 1.89 -12 -13 -6 4.12 1.70 -12 -13 6 3.80 1.32 -12 13 -6 4.52 1.82 12 -13 6 3.66 1.33 -12 -13 -6 4.32 1.37 12 13 6 3.67 1.56 -12 13 -6 8.34 1.90 12 -13 -6 4.64 1.76 -12 -13 -6 6.64 1.32 12 -13 -6 6.60 1.61 -12 13 6 7.36 2.04 12 -13 6 5.50 1.61 -12 13 6 4.29 1.67 12 -13 6 5.50 1.74 -12 13 6 6.28 1.70 12 13 6 2.32 1.56 -12 -13 -6 6.84 1.63 12 -13 -7 8.69 1.69 -12 -13 -7 8.84 1.83 12 13 7 6.73 1.88 -12 -13 7 5.71 1.49 -12 13 7 10.61 2.24 -12 13 -7 5.70 1.95 -12 13 -7 6.73 2.00 -12 -13 7 7.64 1.33 12 -13 7 7.11 1.55 -12 -13 -7 10.42 1.54 12 -13 7 7.53 1.91 -12 13 -7 6.89 1.74 12 -13 -7 8.22 1.72 -12 -13 -7 5.41 1.87 12 -13 -7 7.86 1.94 12 13 7 6.52 1.81 -12 -13 7 9.08 1.16 12 -13 7 8.41 1.83 -12 -13 7 11.01 1.56 -12 13 7 9.52 2.11 -12 -13 -7 9.85 1.62 -12 13 7 9.11 1.87 -12 13 7 9.98 1.79 12 -13 8 1.87 1.89 12 -13 -8 1.33 1.63 12 13 8 0.60 1.85 -12 -13 8 2.38 1.11 -12 -13 -8 4.86 1.87 -12 13 8 4.63 2.06 -12 13 -8 3.20 1.78 -12 -13 8 0.91 1.52 12 -13 8 1.25 1.80 -12 13 -8 1.18 1.94 -12 -13 -8 0.92 1.93 -12 13 -8 2.49 1.97 12 13 8 1.43 1.91 12 -13 -8 2.47 1.91 12 -13 8 0.41 1.41 -12 -13 8 0.41 1.33 -12 -13 -8 2.12 1.49 -12 13 8 0.52 1.83 -12 13 8 1.93 2.25 -13 13 0 11.45 1.53 13 13 0 7.13 0.91 13 -13 0 7.51 1.42 13 -13 0 6.12 1.63 13 13 0 7.00 1.05 -13 13 0 8.04 1.45 -13 13 0 10.03 1.77 -13 -13 0 6.68 0.95 -13 13 0 7.57 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22.96 1.99 12 -15 -5 26.59 2.36 -12 15 -5 25.79 2.36 -12 15 5 26.88 2.75 -12 15 5 26.58 2.58 -12 -15 5 21.13 1.99 -12 15 5 23.17 2.23 -12 15 -5 21.69 2.15 -12 -15 -5 24.08 2.01 12 -15 -5 24.14 2.15 -12 15 5 25.09 2.60 12 -15 -6 -1.65 1.41 -12 -15 6 0.63 1.18 -12 -15 -6 0.96 1.61 -12 -15 -6 2.11 1.18 12 -15 6 -0.11 1.48 12 -15 -6 0.72 1.76 12 -15 6 -0.50 1.63 -12 -15 -6 -0.12 1.27 -12 15 6 0.15 1.86 -12 -15 -6 1.14 1.48 -12 15 -6 -1.56 1.71 12 -15 -6 -0.76 1.40 12 -15 6 -0.51 1.23 -12 15 -6 0.94 1.80 -12 15 6 0.72 1.63 -12 -15 6 -0.25 0.74 -12 15 -6 -3.00 1.43 -12 15 6 -0.52 1.60 12 15 6 1.49 1.54 -12 15 6 1.97 2.01 -12 -15 6 0.95 1.26 -12 15 -7 7.97 2.11 12 15 7 8.16 1.91 -12 15 -7 5.53 2.01 12 -15 7 6.19 1.51 -12 -15 7 7.64 1.17 -12 -15 7 7.35 1.46 12 -15 -7 5.63 1.70 -12 -15 7 6.62 1.04 -12 -15 -7 8.30 1.63 -12 15 -7 7.82 1.78 12 -15 -7 8.82 1.98 -12 15 7 6.40 2.13 -12 15 7 11.43 1.85 12 -15 7 6.22 1.83 -12 15 7 9.38 1.91 -12 15 7 5.81 2.30 -12 -15 7 6.04 1.44 -12 -15 -7 7.85 1.77 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8.73 2.05 -13 15 6 10.25 2.13 -13 -15 -6 11.00 1.40 -13 -15 -6 7.60 1.70 -13 15 -6 9.55 1.80 13 -15 6 6.86 1.92 13 -15 6 11.09 1.63 13 -15 -6 9.85 1.77 13 -15 7 2.51 1.74 -13 15 -7 0.78 1.97 -13 -15 -7 4.01 1.76 13 -15 7 1.98 1.42 -13 15 7 4.67 1.84 -13 15 7 1.26 1.72 -13 15 -7 1.70 1.70 -13 15 7 5.69 2.24 -13 -15 7 2.70 1.42 13 -15 7 2.60 1.85 -13 -15 -7 2.42 1.35 -13 -15 7 0.49 0.88 -13 -15 -7 1.33 1.84 -13 15 7 4.79 2.09 -13 -15 7 1.44 1.39 -13 15 -7 0.46 1.95 13 -15 -7 2.34 1.88 13 -15 -7 1.71 1.62 -14 -15 0 171.06 8.05 -14 -15 0 134.43 8.40 -14 15 0 157.58 8.45 -14 -15 0 162.73 8.40 -14 15 0 172.64 8.79 -14 15 0 148.18 8.93 14 -15 0 163.08 8.43 14 -15 0 174.58 8.54 -14 15 0 147.14 8.44 14 -15 0 166.75 8.86 -14 15 1 11.58 1.93 -14 15 -1 10.28 1.68 -14 -15 1 9.08 1.29 14 -15 1 9.24 1.63 -14 15 -1 13.76 2.04 -14 -15 -1 8.78 0.92 14 -15 -1 10.33 1.81 14 -15 1 9.03 1.82 -14 -15 -1 9.96 1.04 -14 15 -1 10.36 1.92 14 -15 -1 9.79 1.60 -14 15 -1 14.59 1.99 -14 -15 -1 6.95 1.23 14 -15 1 7.04 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1.24 14 -15 -4 2.13 1.36 14 -15 4 -0.50 1.43 -14 15 -4 1.08 1.78 -14 -15 -4 2.25 1.16 -14 15 4 3.58 1.96 -14 15 4 2.03 1.80 -14 -15 -4 2.88 0.82 14 -15 -4 3.18 1.75 -14 15 -4 0.63 1.47 -14 15 4 2.47 1.87 -14 -15 4 1.35 1.13 -14 15 -4 1.10 1.82 14 -15 4 1.45 1.68 14 -15 -5 0.31 1.40 14 -15 -5 -0.39 1.42 -14 -15 -5 3.49 1.57 -14 15 -5 2.17 1.55 14 -15 5 0.49 1.29 -14 15 5 1.47 1.89 -14 15 5 0.88 1.63 -14 -15 -5 -0.88 1.26 -14 15 5 2.61 1.99 -14 -15 -5 3.29 1.02 -14 -15 -5 2.57 1.47 -14 15 5 -0.27 1.79 -14 -15 5 1.62 1.17 -14 -15 5 1.64 1.18 -14 15 -5 1.53 1.87 -14 15 -5 1.24 1.79 14 -15 -5 3.47 1.76 14 -15 5 -0.03 1.52 14 -15 5 1.71 1.78 -14 15 -6 0.93 1.94 -14 -15 6 1.35 1.30 -14 -15 6 1.78 1.31 14 -15 6 -0.08 1.33 14 -15 -6 -0.52 1.51 -14 15 6 1.10 2.06 -14 15 -6 0.16 1.58 -14 15 6 1.95 1.75 -14 -15 -6 1.52 1.57 -14 -15 6 1.07 0.77 -14 -15 -6 0.67 1.74 -14 15 -6 3.27 1.95 -14 -15 -6 1.32 1.38 -14 15 6 3.50 1.85 -14 -15 -6 2.12 1.17 14 -15 6 1.80 1.66 -14 15 6 1.91 2.03 14 -15 -6 0.07 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1.97 -10 16 7 16.74 1.91 10 -16 -7 14.88 1.86 -10 16 -7 13.52 2.15 10 -16 -7 12.81 2.07 10 16 7 12.24 2.03 -10 16 7 12.45 2.19 10 16 7 12.57 1.92 -10 16 7 15.78 2.04 -10 16 7 11.71 2.36 -10 -16 -7 12.90 2.06 -10 -16 -7 9.35 1.70 -10 -16 -7 14.85 1.91 10 -16 7 9.55 1.90 -10 16 -7 12.02 1.87 -10 -16 7 9.97 1.59 10 -16 7 12.02 1.99 10 -16 -7 14.52 1.89 10 -16 7 14.14 1.70 -10 -16 7 11.85 1.29 -10 16 -7 11.72 2.07 -10 -16 7 13.39 1.20 -10 -16 -7 13.60 1.60 -10 16 -8 13.07 2.19 -10 -16 -8 11.09 2.05 -10 16 8 16.69 2.56 10 -16 -8 12.07 1.94 -10 -16 -8 12.77 1.69 -10 16 8 15.20 2.28 10 -16 8 13.21 2.12 10 16 8 15.58 2.21 -10 -16 8 10.16 1.29 10 -16 8 8.23 1.67 10 -16 -8 13.52 1.91 -10 16 -8 15.38 2.27 -10 -16 -8 13.72 1.88 -10 -16 -8 12.18 2.16 -10 -16 8 11.98 1.66 10 16 8 16.25 2.10 -10 -16 8 11.62 1.46 10 -16 8 13.90 2.11 -10 16 8 12.32 2.06 10 -16 -8 12.69 2.21 11 -16 0 2.70 1.15 11 16 0 1.54 0.55 -11 16 0 2.10 1.21 11 -16 0 2.40 1.17 -11 16 0 2.48 1.21 -11 -16 0 0.77 0.72 -11 16 0 3.36 1.44 11 -16 0 1.85 1.39 -11 16 0 1.41 1.56 11 -16 0 0.23 1.03 -11 -16 0 0.82 0.82 11 -16 0 0.67 1.30 11 16 0 1.26 0.74 -11 16 0 2.69 1.47 -11 16 -1 15.18 1.81 -11 -16 1 11.43 1.22 11 -16 -1 16.45 1.60 -11 -16 -1 18.53 1.52 -11 16 -1 14.75 1.84 11 -16 1 17.62 1.71 11 -16 -1 17.77 1.66 -11 16 1 14.77 1.99 -11 16 -1 14.88 1.65 -11 16 1 18.11 1.87 -11 -16 -1 14.62 1.24 11 -16 -1 19.24 1.80 -11 16 1 16.82 1.69 11 16 -1 13.07 1.13 11 -16 1 17.42 1.67 11 16 1 14.91 1.28 11 16 1 13.54 1.22 -11 16 1 17.32 1.89 11 -16 -1 15.10 1.78 11 -16 1 17.00 1.79 -11 16 -1 14.47 1.94 11 -16 1 18.46 1.77 11 -16 -1 14.91 1.66 11 -16 1 17.39 1.56 -11 16 1 16.51 1.68 -11 16 2 67.37 4.07 -11 16 -2 57.81 3.98 -11 16 2 59.74 3.71 -11 16 -2 63.46 3.72 -11 -16 -2 63.10 3.33 -11 -16 -2 65.33 3.35 11 -16 -2 58.92 3.94 -11 -16 -2 56.80 3.33 11 -16 -2 54.69 3.64 -11 -16 -2 56.52 3.55 11 -16 -2 58.37 3.88 11 -16 -2 64.62 3.76 -11 16 -2 67.61 3.84 -11 -16 -2 56.81 3.59 11 -16 2 68.60 3.88 -11 16 2 73.03 4.00 11 -16 2 67.19 3.89 11 16 2 58.89 3.40 -11 16 2 76.80 4.15 11 16 2 57.58 3.62 11 -16 2 59.54 3.87 11 16 -2 59.39 3.45 11 -16 2 57.11 3.61 -11 -16 2 63.48 3.34 11 -16 -2 69.71 3.99 11 -16 2 60.09 3.86 -11 16 -2 63.33 4.10 -11 16 2 63.20 3.74 -11 16 -2 68.88 4.06 -11 16 3 65.83 3.92 -11 16 -3 62.28 4.29 -11 -16 3 66.34 3.62 -11 16 3 70.73 4.32 -11 -16 -3 62.69 3.62 11 -16 3 68.62 3.84 11 -16 3 68.19 4.10 11 -16 3 68.79 4.11 -11 16 3 65.39 4.30 -11 16 -3 63.23 3.90 -11 -16 -3 66.05 3.61 11 -16 3 78.23 4.21 11 -16 -3 64.56 4.13 11 -16 -3 66.15 4.14 -11 16 -3 62.24 4.20 -11 -16 -3 62.58 3.87 11 16 -3 67.07 3.49 -11 16 -3 63.81 4.11 11 16 3 64.12 3.94 11 -16 -3 68.98 4.15 -11 -16 -3 62.14 3.64 -11 16 3 68.54 3.97 11 16 3 68.54 3.69 -11 16 3 66.25 4.07 11 -16 -3 62.58 3.90 11 -16 3 74.44 4.12 -11 -16 -3 67.14 3.85 -11 -16 3 64.35 3.60 11 -16 4 9.24 1.55 -11 -16 -4 8.86 1.23 -11 -16 4 8.12 1.06 -11 16 4 9.49 1.62 -11 16 4 11.08 1.95 -11 16 4 7.35 1.82 -11 16 -4 7.21 1.51 -11 16 -4 8.76 1.83 11 16 -4 7.56 0.97 -11 -16 -4 6.21 1.44 11 -16 4 7.91 1.52 11 -16 4 7.66 1.58 -11 -16 -4 7.84 1.30 11 -16 -4 6.67 1.49 11 -16 -4 8.66 1.45 11 -16 4 5.65 1.66 -11 -16 -4 6.47 0.94 11 16 4 6.73 1.41 -11 -16 4 9.27 1.04 -11 16 -4 8.35 1.73 11 -16 -4 7.02 1.69 -11 -16 -4 9.18 1.33 -11 16 4 8.79 1.85 11 -16 4 7.79 1.36 -11 16 -5 63.49 4.46 11 16 5 73.30 4.30 -11 16 5 67.46 4.56 11 -16 -5 69.06 4.34 -11 -16 -5 68.18 4.24 11 -16 5 66.34 4.04 11 -16 5 65.46 4.33 11 -16 5 71.54 4.35 -11 -16 -5 69.14 4.03 -11 16 -5 66.56 4.34 -11 -16 5 71.26 3.94 11 -16 5 79.37 4.38 11 -16 -5 65.63 4.33 -11 16 5 71.40 4.48 -11 16 5 77.11 4.24 -11 16 5 62.50 4.31 -11 -16 -5 70.95 4.03 -11 16 -5 74.27 4.19 -11 -16 -5 67.31 3.93 11 -16 -5 66.63 4.15 -11 -16 5 70.45 3.95 11 -16 -6 62.44 4.24 -11 -16 -6 66.69 3.99 -11 16 6 67.59 4.12 -11 -16 -6 64.52 4.19 11 -16 -6 68.05 4.07 -11 16 -6 64.60 4.11 -11 -16 -6 63.16 3.89 11 16 6 70.54 4.33 -11 16 6 72.59 4.68 11 -16 6 64.83 4.26 11 -16 6 63.62 3.95 -11 16 6 70.01 4.35 -11 16 -6 66.83 4.45 11 -16 6 65.79 4.27 -11 -16 -6 68.86 3.99 -11 -16 6 64.70 3.86 11 16 6 65.61 4.02 -11 -16 6 72.73 3.90 11 -16 6 67.59 4.31 11 -16 -6 67.48 4.30 -11 16 -6 61.39 4.26 -11 16 6 63.39 4.49 11 16 7 5.41 1.78 -11 16 7 6.70 1.70 -11 -16 7 4.53 1.07 -11 -16 7 6.86 1.43 -11 -16 7 3.79 1.35 -11 -16 -7 8.08 1.56 -11 -16 -7 7.11 1.37 -11 16 -7 5.32 1.93 11 -16 7 4.83 1.46 -11 16 7 6.32 2.28 11 -16 -7 6.23 1.95 -11 -16 -7 6.31 1.83 -11 16 -7 6.38 2.00 11 -16 -7 3.53 1.59 -11 -16 7 5.50 0.96 11 -16 7 4.43 1.82 11 16 7 5.95 1.73 -11 16 -7 5.44 1.68 -11 16 7 7.24 2.08 -11 -16 -7 8.35 1.76 11 -16 -7 7.88 1.72 11 -16 7 4.05 1.72 -11 16 7 6.55 1.85 11 16 8 17.85 2.37 11 16 8 19.48 2.24 -11 -16 -8 15.36 2.35 -11 16 8 20.06 2.32 -11 16 8 17.56 2.45 -11 16 -8 15.83 2.43 11 -16 -8 17.61 2.40 -11 16 -8 18.81 2.41 11 -16 8 20.46 2.35 11 -16 8 19.96 2.33 -11 -16 8 16.54 1.61 -11 16 8 21.42 2.79 -11 -16 8 16.80 1.62 -11 -16 8 14.27 1.81 11 -16 -8 16.93 2.18 11 -16 8 16.45 1.97 -11 -16 -8 17.03 2.19 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39.23 2.86 -9 20 4 36.32 3.09 -9 20 4 36.95 2.73 -9 20 -4 39.79 2.90 -9 -20 -4 33.98 2.40 9 -20 4 42.27 2.92 -9 -20 -4 33.60 2.62 -9 -20 -4 37.19 2.54 9 -20 -4 41.22 3.04 9 -20 4 35.18 2.53 9 20 4 35.14 2.71 9 -20 -4 40.87 2.80 9 -20 4 32.59 2.75 -9 20 -4 33.58 3.00 -9 -20 -4 36.44 2.63 9 -20 -4 37.53 2.66 9 -20 4 37.21 2.92 -9 20 -4 37.00 2.66 -9 20 4 39.03 2.94 -9 -20 -4 33.64 2.33 -9 -20 5 10.65 1.10 -9 20 5 9.48 1.76 -9 -20 -5 8.68 1.47 -9 20 -5 10.77 1.60 -9 -20 -5 8.84 1.69 -9 -20 -5 9.66 1.10 9 20 5 8.17 1.60 -9 20 -5 9.79 1.93 9 -20 -5 12.01 1.87 9 -20 -5 8.38 1.59 9 -20 5 12.37 1.81 -9 -20 -5 8.96 1.37 -9 -20 -5 9.16 1.41 -9 20 5 8.71 1.92 9 -20 5 10.19 1.72 -9 -20 -5 11.31 1.37 9 -20 -5 9.79 1.86 -9 20 -5 10.14 1.79 9 -20 5 9.61 1.46 9 -20 5 8.91 1.64 -9 -20 5 8.19 1.03 9 -20 -5 10.02 1.61 -9 20 5 10.61 2.14 9 -20 -6 3.84 1.52 -9 -20 -6 4.89 1.09 9 -20 -6 5.06 1.82 9 -20 6 1.77 1.24 9 -20 6 4.23 1.58 -9 20 -6 1.76 1.78 -9 20 6 5.15 1.67 -9 20 -6 3.02 1.73 9 -20 6 2.30 1.63 -9 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16.71 1.85 10 -20 0 15.74 1.60 10 -20 -1 34.64 2.69 -10 -20 -1 31.14 2.25 10 -20 1 34.06 2.81 -10 -20 -1 34.78 2.21 10 -20 1 35.54 2.51 -10 20 -1 39.67 3.02 -10 20 1 41.72 2.96 -10 20 1 43.03 3.07 10 -20 1 36.08 2.70 10 -20 -1 36.37 2.56 10 -20 -1 40.91 3.01 -10 20 1 38.80 2.65 10 -20 -1 36.45 2.84 -10 -20 -1 39.10 2.27 -10 20 -1 40.10 2.83 -10 20 -1 38.18 2.67 10 20 1 37.97 2.11 10 -20 1 37.07 2.95 10 -20 -1 40.81 2.83 10 -20 1 38.42 2.73 -10 20 2 72.79 4.10 10 -20 2 70.10 4.01 10 -20 2 76.01 4.21 10 -20 -2 68.99 4.32 10 -20 2 68.09 4.21 -10 -20 -2 65.95 3.88 10 20 2 73.43 3.72 -10 -20 -2 70.77 3.86 -10 20 2 65.88 4.46 10 -20 -2 79.35 4.20 10 -20 -2 70.00 4.05 10 -20 -2 64.82 4.24 -10 20 -2 69.66 4.42 -10 20 -2 62.75 4.21 10 -20 2 68.19 4.32 -10 20 -2 65.52 4.41 10 -20 -2 68.93 4.26 -10 20 2 69.88 4.22 -10 20 -2 66.78 4.06 10 -20 2 62.16 4.13 10 -20 -3 2.95 1.53 -10 -20 -3 1.45 0.85 -10 20 -3 2.85 1.70 -10 -20 -3 1.53 0.98 10 -20 3 0.37 1.30 -10 20 -3 -0.35 1.29 -10 20 -3 4.53 1.59 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2.35 -10 -20 -5 42.96 2.78 -10 20 -5 38.06 2.85 -10 20 -6 7.54 1.88 -10 -20 -6 8.86 1.19 10 -20 6 8.11 1.74 -10 20 6 9.85 2.06 -10 -20 6 8.86 1.22 10 -20 -6 10.19 2.00 -10 -20 -6 9.21 1.79 -10 -20 -6 7.13 1.43 -10 20 6 10.56 2.25 10 -20 6 4.94 1.81 10 -20 6 8.74 1.77 -10 20 -6 10.46 2.02 10 -20 -6 7.58 1.66 -10 -20 -6 9.45 1.61 -10 20 6 10.79 1.88 10 -20 6 9.51 1.51 -10 -20 6 6.51 1.15 10 -20 -6 6.00 1.66 10 -20 7 -1.86 1.63 10 -20 7 1.22 1.68 10 -20 7 3.03 1.80 -10 20 -7 1.35 1.84 -10 -20 -7 0.60 1.80 10 -20 -7 0.83 1.88 -10 20 7 -1.71 1.94 10 -20 -7 1.04 1.55 -10 20 7 -2.61 1.64 -10 -20 7 -0.03 1.16 10 -20 7 0.38 1.30 -10 -20 7 2.61 1.27 10 -20 -7 0.57 1.57 -10 -20 -7 -0.71 1.60 -10 20 7 2.19 2.24 -10 -20 -7 1.92 1.44 -10 20 7 1.86 1.78 -10 20 -7 0.04 1.90 -10 -20 -7 0.97 1.16 -10 20 -8 -0.84 1.99 -10 20 8 1.49 2.09 -10 -20 -8 3.69 1.39 10 -20 -8 1.92 2.08 -10 -20 -8 2.58 1.86 11 -20 0 43.77 3.32 -11 20 0 48.15 3.04 -11 20 0 47.13 3.32 -11 20 0 43.40 3.39 11 -20 0 40.78 2.93 11 -20 0 48.35 3.38 11 -20 0 51.84 3.23 11 -20 0 41.74 3.12 -11 20 1 73.54 4.46 11 -20 1 76.18 4.39 11 -20 -1 83.42 4.61 11 -20 1 87.55 4.73 11 -20 1 83.40 4.59 11 -20 -1 82.80 4.72 11 -20 -1 79.19 4.42 -11 20 1 70.70 4.87 -11 20 1 74.32 4.60 -11 20 -1 69.91 4.60 11 -20 1 78.19 4.64 11 20 1 81.01 4.00 -11 20 -1 75.21 4.80 11 -20 -1 70.36 4.60 -11 -20 -1 68.79 4.16 -11 20 -1 74.59 4.44 11 -20 1 85.22 4.65 -11 -20 -1 74.56 4.14 11 -20 -1 74.13 4.65 11 -20 -2 43.58 3.00 11 -20 -2 50.58 3.19 11 -20 -2 47.15 3.46 11 -20 2 45.59 3.00 11 -20 -2 43.15 3.17 11 -20 2 42.79 3.21 -11 -20 -2 48.23 2.80 -11 20 2 46.98 3.50 -11 20 2 46.07 3.41 -11 20 -2 42.99 3.40 -11 20 -2 50.69 3.46 -11 20 2 41.99 3.07 -11 20 -2 44.84 3.27 -11 20 -2 47.81 3.10 11 -20 -2 48.68 3.30 11 -20 2 46.22 3.28 11 -20 2 43.70 3.17 -11 -20 -2 46.99 2.83 -11 -20 -3 4.82 1.27 11 -20 -3 5.22 1.42 -11 20 3 6.54 1.81 -11 20 -3 8.15 1.87 11 -20 3 7.24 1.63 11 -20 3 6.33 1.47 -11 -20 -3 5.19 0.95 -11 20 3 6.95 1.96 -11 -20 -3 5.72 1.00 -11 20 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1 7.16 1.54 -12 20 1 10.98 2.01 -12 20 -2 76.78 4.75 -12 20 2 69.95 4.34 12 -20 2 71.86 4.51 12 -20 2 88.32 4.66 12 -20 -2 71.02 4.49 12 -20 2 70.59 4.24 12 -20 -2 78.46 4.33 -12 20 -2 76.20 4.38 12 -20 2 71.19 4.49 -12 -20 -2 68.06 4.12 -12 20 -2 71.55 4.50 -12 20 -2 68.33 4.67 -12 20 2 66.92 4.48 -12 20 2 66.34 4.72 -12 -20 -2 76.01 4.11 12 -20 -2 86.54 4.65 12 -20 3 27.45 2.51 -12 20 3 28.45 2.62 -12 -20 -3 28.27 1.95 12 -20 -3 29.54 2.42 -12 20 3 28.98 2.80 -12 -20 -3 29.52 2.28 -12 20 -3 31.41 2.55 -12 -20 -3 31.34 1.93 12 -20 3 29.44 2.53 12 -20 -3 33.76 2.90 12 -20 3 30.13 2.78 -12 -20 -3 26.32 2.27 12 -20 -3 28.80 2.54 -12 20 3 31.14 2.52 -12 20 -3 30.22 2.77 12 -20 3 32.67 2.35 -12 20 -3 28.82 2.91 -12 -20 -4 25.66 1.91 12 -20 -4 24.89 2.33 -12 20 4 27.00 2.57 -12 20 -4 26.15 2.59 12 -20 -4 24.78 2.31 -12 -20 -4 28.64 2.05 -12 -20 -4 23.62 2.23 -12 -20 -4 22.82 2.28 -12 20 -4 29.44 2.49 -12 20 -4 24.18 2.26 12 -20 4 25.75 2.24 12 -20 4 29.49 2.47 12 -20 4 27.06 2.44 12 -20 -4 24.15 2.43 -12 20 4 25.06 2.45 -12 20 4 19.25 2.62 12 -20 4 27.76 2.40 -12 -20 -5 0.52 1.48 12 -20 5 0.13 1.47 12 -20 5 1.63 1.71 -12 20 5 3.91 2.08 -12 20 5 2.44 1.65 -12 20 -5 0.68 1.78 -12 20 -5 -0.65 1.83 -12 -20 5 3.05 0.87 -12 -20 -5 2.01 1.17 -12 20 5 3.96 1.93 12 -20 -5 1.71 1.81 12 -20 -5 1.53 1.45 -12 -20 -5 2.71 1.35 12 -20 -5 0.24 1.44 12 -20 5 0.96 1.29 -12 20 -5 3.59 1.57 -12 -20 -6 8.73 1.65 12 -20 6 7.52 1.58 -12 20 6 10.37 2.01 -12 -20 6 7.93 1.18 12 -20 6 8.36 1.99 -12 20 6 7.70 2.19 12 -20 -6 8.54 2.09 -12 20 -6 7.51 2.09 12 -20 -6 7.72 1.76 -12 -20 -6 8.35 1.81 12 -20 -6 6.83 1.73 -12 -20 -6 6.95 1.48 -12 -20 6 9.82 1.21 12 -20 6 6.03 1.79 -12 -20 -6 9.23 1.13 -12 20 6 4.88 2.29 -12 20 -6 8.21 2.02 -12 20 6 10.22 1.99 13 -20 0 17.81 2.09 -13 20 0 17.29 1.94 -13 20 0 15.75 2.13 13 -20 0 17.71 1.81 -13 20 0 14.64 2.21 13 -20 0 14.55 1.85 13 -20 -1 6.55 1.51 -13 20 -1 5.44 1.83 -13 -20 -1 6.41 0.97 -13 20 1 6.87 1.91 -13 20 1 6.28 1.62 13 -20 1 4.35 1.41 13 -20 -1 7.95 1.50 -13 20 1 6.44 2.02 13 -20 -1 3.05 1.74 -13 -20 -1 7.76 1.10 13 -20 1 7.52 1.57 -13 20 -1 8.16 1.64 -13 20 -1 7.54 1.93 13 -20 1 7.24 1.82 -13 20 -1 5.93 1.98 -13 -20 -2 108.74 5.99 -13 20 2 115.87 6.38 -13 20 -2 116.17 6.33 13 -20 2 104.61 6.42 13 -20 2 119.95 6.34 13 -20 -2 116.42 6.46 -13 20 -2 116.50 6.64 -13 20 -2 102.06 6.65 -13 20 2 113.20 6.66 -13 -20 -2 101.15 6.03 13 -20 2 110.07 6.14 13 -20 -2 115.73 6.35 -13 20 2 118.11 6.24 13 -20 -2 111.03 6.16 -13 20 -2 115.13 6.22 -13 20 3 34.25 3.11 -13 -20 -3 31.67 2.07 -13 20 3 30.86 3.02 -13 20 -3 37.59 3.01 13 -20 3 40.63 3.07 13 -20 -3 32.49 2.60 -13 -20 -3 31.78 2.40 -13 -20 -3 31.87 2.48 -13 20 3 33.61 2.75 -13 20 -3 32.10 2.68 13 -20 3 35.02 2.56 13 -20 -3 27.83 2.74 13 -20 -3 35.73 3.07 -13 20 -3 33.05 2.98 -13 -20 -3 34.38 2.11 13 -20 3 34.67 2.73 -13 20 -4 14.79 2.31 -13 -20 -4 17.00 1.61 13 -20 4 16.53 1.82 13 -20 -4 14.00 2.14 13 -20 -4 17.49 2.02 -13 -20 -4 15.56 1.47 13 -20 -4 18.02 1.92 -13 20 4 20.53 2.46 -13 20 -4 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1.83 1 -21 9 19.20 2.11 1 -21 9 19.43 2.18 -1 -21 -9 19.57 2.21 -1 -21 9 17.02 1.74 1 -21 -9 21.17 2.24 1 -21 -9 20.02 2.43 -1 -21 -9 21.11 2.10 -1 -21 9 21.25 2.09 -1 -21 9 20.06 2.10 1 -21 9 21.17 2.06 -1 -21 -9 21.38 2.39 1 -21 -9 19.59 2.12 2 -21 0 7.61 1.08 2 21 0 6.60 0.92 -2 -21 0 8.53 0.89 2 -21 0 5.51 0.97 -2 21 0 5.27 1.04 2 21 0 7.20 0.77 2 21 0 7.44 0.84 2 21 0 7.71 0.76 -2 21 0 7.74 0.94 2 -21 0 8.00 0.98 2 -21 0 7.06 1.06 -2 -21 0 9.05 0.76 -2 -21 0 9.16 0.80 -2 21 0 7.25 1.14 2 -21 0 7.08 1.06 -2 -21 0 7.10 0.90 2 -21 0 6.63 0.95 -2 -21 0 7.93 0.82 2 -21 -1 34.90 2.18 -2 -21 -1 32.97 2.06 -2 -21 -1 32.91 1.96 -2 21 1 32.73 2.12 2 -21 -1 34.62 2.24 -2 21 1 33.21 2.01 -2 -21 1 31.24 1.79 -2 -21 1 32.17 1.83 -2 -21 -1 31.80 1.86 2 21 -1 31.49 2.02 -2 21 -1 30.41 2.21 2 -21 1 32.73 2.02 -2 -21 1 31.00 1.97 2 -21 -1 34.65 2.16 -2 21 -1 29.22 2.10 2 -21 -1 33.09 2.23 2 21 -1 30.13 1.86 -2 21 -1 30.83 2.00 2 -21 -1 30.28 2.08 2 -21 1 30.71 2.14 2 21 1 32.79 2.11 -2 -21 1 32.93 1.80 2 21 -1 34.33 1.90 2 -21 -1 32.22 2.02 -2 -21 -1 31.63 1.90 2 21 -1 30.04 1.84 -2 21 1 33.50 2.28 2 21 1 29.93 1.95 -2 -21 -1 31.44 2.06 2 21 1 29.61 1.90 2 -21 1 28.08 2.18 2 -21 1 34.57 2.12 2 -21 1 28.97 2.05 -2 -21 1 30.34 1.99 2 -21 1 33.59 2.18 2 -21 1 29.33 1.97 -2 -21 -2 37.84 2.22 2 21 2 38.58 2.44 2 -21 -2 39.79 2.43 -2 -21 -2 38.57 2.30 2 -21 2 39.18 2.26 -2 21 -2 36.25 2.51 2 -21 -2 38.12 2.52 2 -21 2 40.20 2.42 -2 -21 -2 38.17 2.24 2 -21 -2 38.99 2.54 2 -21 -2 38.23 2.41 2 21 2 36.49 2.28 2 -21 2 37.38 2.48 2 -21 2 36.77 2.44 2 -21 2 36.59 2.36 -2 21 -2 38.81 2.29 -2 -21 -2 37.40 2.40 -2 -21 2 36.14 2.28 -2 -21 2 37.73 2.07 2 21 -2 36.64 2.33 -2 21 2 37.54 2.46 -2 -21 -2 39.40 2.40 -2 -21 2 38.47 2.08 2 -21 -2 37.20 2.33 -2 -21 2 37.18 2.26 2 21 -2 38.28 2.13 -2 21 -2 36.05 2.36 -2 -21 -2 37.06 2.20 -2 -21 2 37.78 2.11 2 -21 2 38.74 2.30 -2 21 2 35.22 2.60 2 -21 2 39.49 2.42 2 -21 -2 37.28 2.56 2 21 2 36.84 2.23 2 21 -2 38.93 2.17 -2 21 2 37.89 2.33 -2 -21 2 35.39 2.07 -2 21 3 31.77 2.34 -2 21 3 27.99 1.99 -2 -21 -3 27.27 1.86 -2 -21 3 31.39 1.80 -2 -21 -3 26.68 2.12 -2 -21 3 28.50 1.89 -2 21 3 27.46 2.10 -2 21 -3 24.41 1.90 -2 -21 3 28.46 1.69 2 -21 3 26.57 2.15 2 -21 3 29.69 2.09 -2 -21 -3 28.24 1.93 2 -21 -3 31.08 1.98 2 21 3 25.87 1.98 2 21 3 28.99 2.19 2 21 3 26.49 1.88 -2 -21 -3 30.13 1.92 2 -21 -3 30.19 2.24 -2 -21 3 25.28 1.71 -2 -21 3 27.47 1.97 -2 -21 -3 29.97 2.04 2 -21 3 28.36 1.95 -2 21 -3 28.91 2.19 -2 21 -3 26.33 2.05 2 -21 3 27.86 2.06 -2 -21 -3 28.21 1.97 -2 -21 -3 27.22 2.08 2 21 -3 28.86 1.76 2 -21 -3 30.20 2.03 2 -21 -3 33.65 2.26 2 21 -3 31.71 1.86 2 -21 3 26.71 1.85 2 -21 -3 29.17 2.22 2 -21 3 26.74 2.09 2 21 -3 28.03 1.94 2 -21 3 27.33 1.99 -2 21 -3 28.05 2.12 2 -21 -3 30.57 2.12 2 -21 -3 28.23 2.04 -2 -21 -4 13.82 1.51 2 -21 4 10.83 1.33 2 -21 4 12.95 1.39 -2 -21 4 11.76 1.19 -2 -21 4 11.73 1.13 2 21 -4 12.99 1.30 -2 -21 -4 12.42 1.36 2 21 4 12.14 1.56 -2 -21 -4 10.86 1.22 2 21 -4 10.89 1.09 -2 21 -4 11.84 1.48 -2 21 4 11.00 1.49 2 -21 -4 11.87 1.37 -2 -21 4 13.03 1.09 2 -21 4 13.06 1.23 -2 -21 -4 12.92 1.43 2 -21 -4 14.26 1.44 2 -21 4 12.74 1.42 -2 21 4 14.45 1.38 -2 -21 -4 14.68 1.36 2 -21 -4 12.09 1.42 -2 -21 4 13.12 1.28 2 21 4 12.41 1.42 2 -21 4 12.90 1.32 2 21 4 10.75 1.28 -2 21 -4 12.54 1.38 -2 21 -4 12.83 1.26 -2 -21 -4 12.48 1.32 2 -21 -4 11.18 1.52 2 -21 -4 14.32 1.31 2 -21 -4 13.05 1.53 2 -21 -4 13.78 1.55 2 21 -4 12.97 1.19 -2 21 4 11.78 1.65 -2 -21 4 12.78 1.12 2 -21 4 14.20 1.35 -2 -21 5 23.84 1.74 2 -21 -5 24.51 2.12 -2 21 -5 24.67 1.99 -2 21 -5 25.84 2.23 2 21 -5 24.28 1.82 -2 -21 -5 25.67 2.20 2 21 5 23.57 1.98 2 21 -5 19.60 2.01 2 -21 5 24.89 2.13 2 -21 5 24.03 1.80 2 21 5 25.90 2.40 -2 21 5 22.92 2.05 2 21 5 22.66 1.94 -2 -21 5 25.43 1.98 2 21 5 25.64 2.09 -2 21 -5 28.45 2.20 2 -21 5 21.86 2.03 2 -21 5 24.29 2.30 -2 -21 -5 22.63 1.97 -2 -21 5 24.64 1.66 -2 -21 -5 26.92 2.31 -2 -21 -5 25.09 2.31 2 -21 -5 23.37 2.01 -2 21 5 22.95 2.19 -2 21 5 28.42 2.54 -2 -21 -5 23.64 1.94 2 -21 -5 24.05 2.27 2 21 -5 26.02 2.01 2 -21 -5 26.21 2.04 -2 -21 5 25.44 1.89 -2 -21 5 25.80 2.10 2 -21 -5 24.48 2.31 2 -21 5 24.45 2.16 -2 -21 -6 0.24 1.25 -2 21 -6 -0.84 1.33 2 -21 -6 2.30 1.26 2 21 -6 1.88 1.26 2 -21 6 -1.02 1.29 -2 -21 6 2.66 1.27 -2 21 6 -0.05 1.69 -2 -21 -6 -0.06 1.15 2 21 6 2.53 1.22 -2 -21 6 0.99 0.83 -2 -21 6 1.20 1.13 -2 -21 -6 2.41 1.55 -2 21 6 2.12 1.48 -2 21 -6 -0.65 1.09 -2 21 -6 -0.43 1.40 -2 -21 6 1.45 1.02 2 -21 6 -0.21 0.97 2 21 6 0.85 1.62 2 -21 6 -0.38 1.25 2 -21 6 -0.58 1.23 -2 -21 6 -1.66 1.11 -2 -21 6 1.64 0.85 2 -21 -6 1.43 1.50 2 -21 -6 1.80 1.53 -2 21 6 1.06 1.31 2 -21 -6 -0.43 1.27 -2 -21 -6 1.13 1.45 -2 21 7 20.35 2.02 2 -21 7 18.49 1.78 2 21 7 25.09 2.37 -2 21 7 22.37 2.44 2 -21 -7 23.15 2.18 2 -21 7 17.86 1.93 -2 -21 -7 20.06 1.97 -2 21 -7 21.41 1.98 -2 -21 -7 20.87 2.16 2 -21 7 18.85 1.94 2 -21 -7 21.40 2.04 -2 -21 7 21.05 1.82 -2 -21 7 19.80 1.94 -2 -21 7 22.28 1.81 2 -21 7 21.20 2.00 2 -21 -7 21.41 2.17 -2 21 7 19.07 2.13 2 21 -7 18.65 1.95 -2 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11.01 1.30 -3 -21 -2 10.25 1.13 3 -21 -2 11.46 1.26 3 -21 2 8.65 1.27 3 -21 2 10.80 1.15 3 21 -2 9.19 0.91 -3 -21 2 10.01 0.89 3 -21 -2 9.85 1.17 -3 -21 -2 11.67 1.02 -3 -21 -2 9.68 0.90 3 -21 2 10.91 1.18 -3 21 2 10.08 1.16 -3 -21 2 9.54 0.92 -3 21 -2 11.20 1.12 3 -21 2 10.34 1.20 -3 21 2 11.52 1.43 3 21 -2 9.50 0.86 -3 -21 -2 10.45 1.06 3 21 2 10.58 0.97 -3 21 -2 10.35 1.30 -3 21 -2 8.30 1.17 3 -21 -2 7.31 1.27 3 -21 -2 8.35 1.15 3 -21 2 10.01 1.06 -3 -21 -2 8.39 1.04 -3 21 3 49.50 2.98 -3 -21 3 49.71 2.86 3 21 -3 49.77 2.94 -3 -21 3 48.75 2.64 -3 21 -3 44.98 2.91 -3 -21 -3 49.75 2.95 -3 21 3 45.29 3.05 -3 -21 -3 50.78 2.88 3 -21 3 50.50 3.04 -3 -21 -3 48.77 3.10 3 -21 -3 55.93 3.22 3 21 3 44.72 3.13 3 -21 3 54.03 3.19 -3 -21 3 45.55 2.88 -3 21 -3 54.98 3.20 -3 21 -3 56.02 3.05 3 -21 -3 55.94 3.01 3 21 -3 52.55 2.75 3 21 3 46.94 2.85 -3 21 3 50.61 3.32 -3 -21 -3 50.76 2.86 3 21 3 47.82 2.90 3 21 -3 55.93 2.78 3 -21 3 53.94 3.05 -3 21 -3 55.13 3.22 -3 -21 -3 47.82 3.06 3 -21 -3 51.02 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14.04 1.87 5 -22 6 16.19 1.85 -5 -22 -6 14.59 2.00 5 22 6 19.03 2.03 -5 -22 6 17.47 1.38 5 -22 -6 18.91 1.86 5 -22 -6 16.07 2.02 -5 22 -6 15.13 1.90 -5 22 -6 17.62 2.04 -5 -22 -6 15.13 1.71 -5 22 6 15.75 1.87 -5 22 6 20.05 2.30 5 -22 6 15.12 1.81 -5 22 6 19.98 2.06 -5 -22 6 15.35 1.28 -5 22 7 6.84 2.13 5 -22 7 2.96 1.64 -5 -22 7 3.02 0.90 -5 22 -7 4.38 1.67 5 -22 -7 5.15 1.52 -5 -22 -7 2.56 1.82 -5 -22 -7 0.13 1.45 5 -22 7 3.41 1.56 -5 -22 -7 5.72 1.31 -5 22 7 4.97 1.82 -5 -22 -7 2.32 1.70 5 -22 7 4.25 1.58 5 -22 7 4.21 1.27 -5 22 -7 3.96 1.78 5 22 7 4.68 1.80 5 -22 -7 5.98 1.84 5 -22 -7 4.49 1.79 5 -22 -7 6.83 1.62 -5 -22 7 3.46 1.23 -5 22 7 5.38 1.64 -5 -22 7 2.85 1.09 -5 -22 7 3.87 1.38 -5 22 -8 20.91 2.27 5 22 8 22.90 2.48 5 -22 8 22.55 2.27 -5 22 8 21.94 2.41 -5 -22 8 17.58 1.85 -5 -22 8 20.35 1.67 5 -22 -8 20.98 2.38 5 -22 8 19.82 2.20 5 -22 8 18.81 1.89 -5 22 -8 18.72 2.30 -5 -22 -8 17.69 2.28 -5 -22 -8 24.81 2.22 -5 -22 -8 19.58 2.12 -5 22 8 22.95 2.72 5 -22 -8 19.87 2.19 -5 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1.88 -6 22 4 22.30 2.04 -6 -22 -4 21.84 1.70 -6 22 4 21.77 2.05 -6 -22 4 20.21 1.50 -6 22 -4 21.85 2.13 -6 22 -4 20.17 1.94 6 -22 4 21.67 1.95 6 -22 -4 21.73 2.04 6 22 4 22.09 2.17 -6 -22 -4 19.81 1.87 -6 -22 4 21.16 1.54 6 22 4 19.51 1.84 6 -22 4 23.06 1.86 6 -22 -4 22.48 1.99 6 -22 -4 21.94 1.99 6 -22 -4 20.82 2.07 6 -22 4 22.05 1.96 6 -22 -4 24.22 2.08 6 -22 4 20.24 1.95 -6 -22 -5 11.05 1.74 6 22 5 10.12 1.71 6 -22 5 14.46 1.67 -6 -22 -5 7.52 1.42 -6 22 5 11.48 1.84 -6 -22 -5 14.42 1.47 -6 -22 -5 10.69 1.57 6 -22 5 10.47 1.41 6 -22 -5 8.63 1.56 -6 22 -5 9.82 1.51 6 -22 5 12.98 1.64 6 -22 5 10.36 1.72 -6 22 -5 11.45 1.71 -6 22 5 13.06 2.04 -6 -22 5 13.00 1.25 6 -22 -5 11.10 1.80 -6 22 -5 12.62 1.85 -6 -22 -5 10.74 1.18 6 -22 -5 13.89 1.62 -6 22 5 12.16 1.69 6 -22 -5 13.32 1.85 -6 -22 5 10.37 1.12 6 -22 -6 10.39 1.65 6 -22 -6 8.49 1.61 -6 22 -6 10.06 1.76 -6 -22 6 9.12 1.21 -6 -22 -6 11.12 1.86 -6 22 -6 10.26 1.87 6 -22 -6 11.80 1.96 6 -22 6 12.01 1.75 -6 -22 6 9.78 1.37 6 -22 -6 9.10 1.88 -6 -22 -6 9.98 1.30 6 -22 6 10.92 1.46 -6 -22 -6 11.04 1.71 -6 22 6 11.00 1.92 -6 -22 -6 7.68 1.51 -6 22 6 11.68 2.20 6 -22 6 11.69 1.70 -6 22 6 11.49 1.76 6 22 6 13.39 1.90 6 -22 6 8.61 1.70 -6 -22 -7 8.41 1.37 -6 22 -7 5.99 1.79 -6 -22 -7 5.44 1.92 6 -22 7 8.23 1.76 6 -22 7 5.26 1.37 6 22 7 8.14 1.92 6 -22 7 5.15 1.66 -6 22 7 4.93 2.16 6 -22 7 10.33 1.77 6 -22 -7 5.56 1.87 -6 -22 -7 5.21 1.73 6 -22 -7 5.69 1.52 -6 22 7 6.29 1.75 -6 -22 -7 5.23 1.54 -6 -22 7 7.09 0.93 -6 -22 7 7.71 1.28 -6 -22 7 6.24 1.05 -6 22 -7 5.29 1.83 6 -22 -7 6.42 1.86 6 -22 -7 6.41 1.65 -6 -22 7 6.97 1.44 -6 22 7 5.24 1.88 -6 -22 8 18.59 1.60 -6 -22 8 15.62 1.53 -6 22 -8 17.41 2.29 -6 -22 8 17.93 1.77 -6 22 8 16.58 2.64 6 -22 8 20.24 2.25 -6 -22 -8 15.35 2.36 -6 22 8 18.23 2.34 6 -22 8 18.93 2.12 6 -22 -8 18.86 2.32 -6 22 -8 20.84 2.28 6 -22 8 16.78 1.85 6 22 8 18.68 2.41 -6 -22 -8 19.26 1.86 -6 -22 8 17.53 1.92 6 -22 8 17.14 2.16 6 -22 -8 20.64 2.10 6 -22 -8 16.15 2.09 -6 -22 -8 15.35 2.14 -6 -22 -8 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1.67 7 -22 3 20.08 1.89 -7 22 3 20.98 2.01 7 -22 -3 21.48 1.99 -7 -22 -3 17.81 1.50 -7 22 -3 20.47 1.94 -7 -22 -3 19.49 1.70 -7 22 3 21.01 2.15 -7 22 -3 19.45 1.91 7 -22 3 19.99 1.85 -7 -22 -3 16.16 1.57 -7 22 3 20.93 2.00 7 -22 3 18.01 1.77 7 -22 -3 19.79 1.76 7 -22 -3 21.48 1.98 7 -22 -3 20.45 2.02 -7 22 -3 19.74 2.11 7 -22 -3 17.20 1.77 -7 -22 -3 20.18 1.80 7 22 3 18.48 1.90 7 -22 3 17.32 1.88 -7 22 -3 16.42 2.03 -7 -22 -4 12.05 1.35 7 -22 4 11.76 1.64 7 -22 4 10.40 1.61 -7 -22 -4 9.67 1.37 7 -22 -4 16.44 1.66 7 -22 4 12.92 1.46 -7 22 4 15.39 1.86 -7 22 4 12.00 1.68 -7 22 -4 9.16 1.80 7 -22 -4 10.88 1.54 -7 -22 -4 10.38 1.12 -7 -22 -4 11.62 1.30 -7 22 4 13.61 2.03 7 -22 -4 15.20 1.81 7 -22 -4 12.31 1.79 -7 22 -4 11.36 1.68 7 22 4 9.84 1.55 -7 -22 -4 11.06 1.60 -7 22 -4 9.02 1.48 7 -22 4 10.42 1.69 -7 22 5 62.52 4.22 -7 -22 5 59.97 3.45 -7 -22 -5 64.00 3.81 7 -22 5 58.28 3.66 -7 22 5 58.87 3.95 7 -22 -5 60.95 3.91 7 -22 5 63.79 3.92 7 -22 -5 60.47 3.79 7 -22 -5 58.78 3.96 -7 -22 -5 60.59 3.65 7 -22 5 67.35 3.98 -7 -22 -5 66.08 3.90 7 22 5 63.70 3.94 -7 22 5 59.22 3.79 -7 22 -5 59.34 3.87 -7 -22 5 58.72 3.47 7 -22 -5 68.26 3.98 -7 22 -5 59.45 4.04 -7 -22 -5 61.25 3.57 -7 -22 -5 62.68 3.55 -7 22 -5 62.26 3.78 7 -22 5 70.22 3.97 -7 22 -6 39.22 3.21 -7 -22 -6 40.63 3.07 7 22 6 38.76 3.08 7 -22 -6 43.05 3.17 7 -22 6 37.44 2.65 -7 22 6 39.93 3.37 -7 22 6 38.97 3.03 7 -22 6 37.93 3.01 7 -22 6 40.80 3.07 -7 -22 6 36.32 2.57 -7 -22 -6 40.65 2.62 -7 -22 -6 36.61 2.83 -7 -22 6 36.91 2.51 -7 22 -6 44.12 3.08 7 -22 6 38.40 3.05 7 -22 -6 38.87 2.94 7 -22 -6 39.79 2.88 -7 22 6 40.34 2.95 7 -22 -6 42.57 3.20 -7 -22 -6 37.81 2.69 7 -22 7 4.36 1.65 7 -22 -7 5.83 1.90 7 22 7 5.87 1.84 -7 22 -7 4.62 1.76 -7 -22 7 4.25 1.33 -7 -22 -7 3.80 1.48 7 -22 7 3.93 1.69 -7 -22 -7 2.23 1.84 -7 22 7 4.98 1.70 7 -22 -7 3.42 1.55 -7 -22 -7 6.64 1.26 -7 22 7 5.63 2.24 7 -22 7 3.50 1.33 -7 22 7 6.17 1.93 7 -22 7 4.48 1.76 7 -22 -7 3.11 1.51 -7 -22 -7 3.56 1.68 -7 -22 7 3.19 1.20 -7 22 -7 2.88 1.84 7 -22 -8 24.76 2.42 7 -22 8 25.81 2.43 -7 22 -8 28.22 2.69 -7 22 8 22.25 2.61 -7 -22 8 22.39 2.20 7 -22 8 29.52 2.52 7 -22 8 25.74 2.27 -7 -22 -8 21.88 2.41 -7 -22 -8 25.55 2.27 -7 -22 -8 24.63 2.63 -7 -22 8 20.77 2.09 -7 22 8 23.90 2.93 7 -22 8 27.35 2.48 -7 22 -8 25.94 2.50 7 -22 -8 31.29 2.82 -7 -22 8 21.46 1.74 7 -22 -8 22.80 2.35 -8 22 0 54.85 4.02 8 -22 0 66.52 3.94 8 -22 0 54.82 3.78 -8 22 0 63.02 3.69 8 -22 0 60.47 3.63 8 -22 0 71.75 3.79 8 -22 0 63.97 3.88 -8 22 0 62.70 3.83 8 -22 1 18.24 1.75 -8 -22 -1 12.63 1.40 -8 22 1 22.50 1.91 8 -22 -1 17.44 1.87 8 -22 1 18.29 1.70 8 -22 -1 18.10 1.67 8 -22 -1 18.36 1.71 8 -22 1 20.15 1.89 8 -22 -1 19.26 1.87 8 -22 1 14.84 1.77 8 -22 1 18.22 1.78 8 22 1 15.47 1.50 -8 22 -1 18.57 1.73 8 -22 -1 17.91 1.74 -8 22 -1 16.40 1.86 -8 22 1 15.46 2.00 -8 22 -1 15.42 1.99 -8 22 1 19.60 1.91 8 -22 2 0.29 1.42 8 -22 -2 2.28 1.43 -8 22 -2 3.30 1.60 8 22 2 1.39 0.80 -8 22 -2 0.49 1.22 8 -22 -2 3.45 1.27 8 -22 -2 2.07 1.21 8 -22 -2 2.55 1.15 -8 22 2 0.86 1.29 8 -22 2 1.16 1.10 -8 22 2 2.96 1.55 -8 -22 -2 0.92 1.01 -8 22 2 2.85 1.66 8 -22 2 1.21 1.35 -8 -22 -2 0.77 0.81 8 -22 2 0.67 1.24 -8 22 -2 -0.38 1.45 8 22 2 2.06 0.99 8 -22 2 0.73 1.17 8 -22 -2 3.98 1.52 -8 22 -3 12.39 1.84 8 22 3 15.99 1.60 8 -22 -3 16.32 1.74 -8 -22 -3 17.74 1.47 -8 -22 -3 19.66 1.87 -8 -22 -3 16.39 1.37 -8 22 -3 15.49 2.00 -8 -22 -3 15.92 1.43 8 -22 3 17.33 1.65 -8 22 3 20.38 1.88 8 -22 -3 18.04 1.94 8 -22 3 15.57 1.75 -8 22 3 16.10 1.99 8 -22 3 17.99 1.89 8 -22 -3 19.32 1.96 8 -22 -3 17.43 1.78 8 -22 3 19.04 1.87 -8 -22 -3 18.07 1.45 -8 22 -3 16.16 1.74 -8 22 3 20.66 2.13 -8 22 -3 18.14 2.08 -8 -22 -4 15.53 1.69 8 -22 -4 13.72 1.71 8 -22 4 14.32 1.59 8 -22 4 13.82 1.83 -8 22 4 14.84 1.79 8 -22 -4 14.80 1.93 -8 22 4 18.84 2.23 -8 -22 -4 14.69 1.46 8 22 4 12.49 1.63 -8 -22 -4 15.28 1.40 8 -22 -4 16.90 1.75 -8 22 -4 13.58 1.86 8 -22 -4 16.97 1.93 8 -22 4 14.65 1.76 -8 22 -4 11.85 1.99 -8 22 4 14.98 1.98 8 -22 4 15.33 1.82 -8 -22 -4 14.94 1.45 -8 22 -4 15.38 1.70 -8 22 5 29.74 2.75 8 -22 -5 24.77 2.43 -8 -22 -5 25.63 2.50 -8 22 5 27.67 2.66 8 -22 5 27.28 2.19 -8 22 -5 27.85 2.36 -8 22 -5 28.65 2.34 -8 -22 -5 24.09 2.20 8 -22 -5 30.60 2.73 -8 -22 5 24.37 1.84 8 -22 -5 28.88 2.33 8 -22 5 27.12 2.44 -8 -22 -5 27.07 2.10 8 -22 5 31.26 2.63 8 -22 -5 30.56 2.74 -8 22 5 28.51 2.39 -8 22 -5 25.86 2.64 -8 -22 -5 28.10 2.38 8 -22 5 29.80 2.63 -8 -22 -5 26.44 1.87 8 -22 6 35.56 2.57 8 -22 6 35.07 2.89 8 -22 -6 34.96 2.78 -8 22 6 35.87 3.26 -8 22 -6 33.71 2.96 -8 -22 6 31.69 2.36 -8 -22 -6 37.17 2.90 -8 22 6 35.24 3.05 -8 22 -6 33.24 3.06 8 -22 6 37.01 2.98 -8 -22 6 36.02 2.36 -8 22 6 38.69 2.87 8 -22 6 34.84 2.97 -8 -22 -6 36.23 2.42 -8 -22 -6 34.94 2.55 8 -22 -6 35.12 2.82 8 -22 -6 36.88 3.07 -8 -22 -6 34.83 2.63 8 -22 -6 39.00 3.07 -8 -22 7 2.42 1.25 -8 -22 -7 -0.17 1.83 -8 22 7 3.07 1.73 8 -22 7 1.90 1.66 8 -22 -7 1.81 1.86 -8 22 7 1.89 1.94 8 -22 7 1.74 1.31 -8 22 -7 0.42 1.83 8 -22 7 3.34 1.69 -8 -22 7 0.03 1.12 -8 22 -7 2.19 1.78 8 -22 7 3.43 1.76 8 -22 -7 1.06 1.57 -8 -22 -7 0.27 1.63 -8 -22 -7 3.19 1.17 -8 22 7 2.13 2.18 8 -22 -7 2.64 1.53 -8 -22 -7 3.20 1.46 -8 -22 -8 8.66 1.98 8 -22 8 13.40 2.07 -8 22 -8 9.94 2.09 -8 -22 8 9.20 1.49 -8 -22 8 9.85 1.61 8 -22 -8 10.74 1.97 -8 22 8 11.65 2.59 8 -22 -8 14.60 2.30 8 -22 -8 11.96 1.92 8 -22 8 15.53 2.18 -8 -22 -8 8.53 2.21 -8 -22 -8 13.81 1.57 -8 22 -8 13.36 2.23 8 -22 8 10.24 1.69 8 -22 8 8.50 1.99 -8 22 8 7.34 2.22 -8 -22 8 9.46 1.08 9 -22 0 54.31 3.42 -9 22 0 55.06 3.88 9 -22 0 54.91 3.62 -9 22 0 56.87 3.62 -9 22 0 61.30 3.54 9 -22 0 54.34 3.63 9 -22 0 61.49 3.62 9 -22 0 61.45 3.78 -9 22 -1 23.58 2.20 9 -22 -1 24.99 2.49 9 -22 -1 24.25 2.09 -9 22 -1 25.58 2.45 9 -22 1 25.12 2.26 -9 22 1 31.49 2.67 9 -22 1 27.34 2.11 -9 22 1 29.49 2.53 -9 22 -1 22.53 2.33 9 -22 1 23.07 2.20 9 -22 -1 26.62 2.25 9 -22 -1 27.46 2.37 -9 22 1 25.77 2.23 9 -22 1 29.26 2.50 9 -22 -1 22.68 2.19 9 -22 2 81.15 4.74 9 -22 2 81.62 4.79 -9 -22 -2 81.13 4.43 9 -22 2 77.38 4.76 -9 22 -2 78.86 4.73 9 -22 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17.54 1.99 -9 -22 -5 8.24 1.70 -9 -22 -5 10.63 1.02 -9 22 -5 11.61 2.03 9 -22 -5 11.63 1.99 -9 -22 -5 9.66 1.49 -9 22 5 16.06 1.89 -9 22 5 12.55 2.29 9 -22 5 11.90 1.80 -9 -22 -5 9.67 1.46 9 -22 5 11.77 1.85 -9 -22 -5 11.57 1.41 9 -22 -5 11.21 1.71 9 -22 5 11.34 1.78 9 -22 -5 10.11 1.70 -9 22 5 10.79 2.00 9 -22 5 11.78 1.55 -9 -22 -6 1.37 1.31 -9 22 -6 3.33 1.74 9 -22 -6 0.74 1.46 -9 22 -6 1.27 1.81 -9 -22 -6 0.79 1.46 -9 -22 6 0.83 0.96 -9 -22 6 3.32 1.06 9 -22 6 1.12 1.52 -9 -22 -6 2.47 0.96 -9 -22 -6 0.49 1.66 -9 22 6 3.31 2.17 -9 22 6 4.34 1.93 9 -22 -6 2.04 1.49 9 -22 -6 1.51 1.83 9 -22 6 -1.12 1.56 9 -22 6 1.15 1.69 -9 22 6 1.50 1.66 9 -22 6 1.09 1.26 -9 22 7 35.36 3.34 9 -22 7 30.66 2.95 -9 -22 -7 30.67 2.91 9 -22 -7 34.63 2.79 9 -22 7 27.93 2.48 9 -22 7 29.03 2.65 -9 -22 -7 27.77 2.63 -9 22 7 40.03 2.95 9 -22 -7 32.68 2.88 -9 22 7 30.84 2.85 9 -22 -7 27.98 2.74 -9 22 -7 31.16 3.02 -9 22 -7 30.28 2.95 -9 -22 -7 30.96 2.37 -9 -22 7 33.04 2.36 -9 -22 -7 34.13 2.50 9 -22 7 28.24 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47.49 3.13 -3 -23 3 46.61 2.82 3 -23 -3 52.40 2.96 3 -23 3 45.16 2.98 3 -23 3 50.41 3.08 -3 -23 -3 48.89 2.85 3 23 -3 48.52 2.67 -3 -23 -3 45.18 2.80 -3 23 -3 49.81 3.01 3 -23 3 46.05 2.81 3 23 3 40.22 2.77 3 -23 3 46.38 3.08 -3 -23 -3 49.36 2.78 -3 23 -3 46.92 3.17 3 23 -3 48.76 2.88 -3 -23 3 45.12 2.79 -3 23 -3 48.78 3.21 3 -23 -3 51.61 3.07 3 -23 -3 50.56 3.17 -3 -23 -3 51.08 3.01 3 -23 3 49.19 3.01 3 23 3 48.09 3.08 3 -23 -3 50.60 2.94 3 -23 -3 47.17 3.03 3 -23 -3 58.11 3.25 3 -23 -3 50.15 3.15 3 23 3 45.89 2.84 -3 23 3 44.36 2.91 -3 -23 -3 47.73 3.04 -3 23 3 48.24 3.06 -3 -23 4 20.41 1.41 -3 -23 4 20.16 1.71 -3 -23 -4 20.08 1.69 3 -23 4 20.79 1.85 3 -23 4 21.43 1.79 -3 -23 -4 20.70 1.74 -3 23 4 21.21 1.92 -3 -23 -4 21.94 1.79 3 -23 -4 22.33 1.98 -3 -23 -4 22.20 1.79 -3 23 4 19.99 1.94 -3 23 -4 23.49 1.99 3 23 -4 19.90 1.78 -3 -23 4 20.69 1.40 -3 23 -4 20.69 2.00 3 23 -4 20.60 1.56 3 -23 -4 21.08 1.94 3 23 4 19.87 1.80 -3 -23 -4 20.59 1.97 3 -23 -4 21.07 1.96 3 23 4 21.79 1.79 3 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15.69 2.13 -3 -23 -9 16.84 2.31 -3 23 9 16.41 2.66 -3 -23 9 12.04 1.81 3 -23 -9 12.71 1.95 -3 -23 -9 15.06 2.44 -3 -23 9 16.62 1.85 3 23 9 14.32 2.53 3 -23 9 16.31 2.09 -3 -23 -9 12.92 1.87 3 -23 9 16.46 2.08 4 -23 0 23.78 1.76 -4 23 0 19.01 1.70 4 -23 0 17.15 1.68 4 -23 0 19.31 1.71 4 -23 0 19.41 1.94 4 -23 0 21.35 1.72 -4 -23 0 20.17 1.50 4 23 0 18.50 1.51 4 -23 0 20.39 1.65 -4 23 0 17.88 1.78 -4 23 0 21.09 1.95 4 -23 0 20.91 2.05 4 23 0 20.03 1.34 -4 -23 0 18.23 1.45 4 23 -1 34.12 2.12 -4 -23 -1 35.11 1.94 -4 23 -1 34.06 2.41 4 -23 -1 35.93 2.46 4 -23 -1 39.55 2.58 -4 23 1 38.66 2.62 -4 23 -1 29.73 2.56 -4 -23 -1 33.92 1.92 4 -23 -1 31.67 2.46 -4 -23 -1 32.55 2.18 4 23 1 32.25 2.23 4 -23 1 32.97 2.21 4 23 -1 35.18 1.92 4 -23 -1 36.25 2.31 -4 -23 1 32.60 2.04 4 -23 1 37.11 2.51 4 23 1 35.03 2.05 4 -23 1 32.25 2.32 4 -23 1 32.63 2.47 -4 -23 -1 34.47 2.17 4 -23 -1 38.34 2.31 -4 23 1 36.75 2.31 4 -23 -1 34.11 2.35 4 -23 1 33.15 2.27 4 -23 1 35.19 2.52 -4 23 1 33.58 2.50 -4 23 -1 35.96 2.26 4 -23 -1 37.21 2.61 4 -23 1 31.98 2.43 -4 -23 1 32.24 2.04 4 23 1 32.11 2.02 -4 -23 2 33.51 2.20 4 23 -2 37.06 2.09 4 -23 -2 41.36 2.83 -4 23 -2 37.28 2.72 -4 -23 -2 39.08 2.18 -4 -23 -2 37.86 2.28 -4 23 2 37.19 2.50 -4 23 2 44.63 2.87 -4 23 -2 37.61 2.46 4 -23 2 36.88 2.39 4 23 2 33.17 2.50 4 -23 2 36.00 2.51 -4 -23 -2 38.54 2.46 -4 -23 2 34.81 2.21 -4 23 -2 43.79 2.58 4 -23 -2 38.13 2.78 4 -23 2 35.78 2.67 4 23 2 36.62 2.27 4 -23 2 37.18 2.76 4 23 2 37.61 2.31 4 -23 -2 41.77 2.76 4 23 2 38.72 2.28 -4 -23 -2 35.70 2.45 4 -23 -2 36.88 2.67 4 -23 -2 40.05 2.48 -4 -23 -2 38.27 2.22 4 -23 -2 41.61 2.49 4 23 -2 38.43 2.31 4 -23 -2 35.41 2.56 4 -23 2 40.42 2.68 4 -23 2 37.13 2.68 -4 23 2 41.30 2.65 -4 23 -3 31.50 2.47 -4 23 3 36.76 2.43 4 -23 3 29.59 2.38 4 -23 -3 32.96 2.21 4 23 -3 28.72 1.80 -4 23 -3 29.96 2.15 -4 23 3 35.68 2.60 4 23 -3 24.98 1.98 4 -23 3 29.60 2.43 -4 -23 -3 31.30 2.01 4 23 3 31.59 2.35 4 23 3 26.48 2.02 -4 -23 -3 27.92 2.28 4 23 3 27.03 2.01 4 -23 3 29.69 2.28 -4 23 -3 30.17 2.38 -4 -23 -3 31.72 1.99 4 -23 3 29.48 2.06 4 -23 -3 29.33 2.29 -4 23 -3 31.35 2.51 4 -23 3 32.06 2.45 -4 -23 -3 31.18 2.32 -4 -23 3 30.71 1.93 -4 -23 -3 30.82 2.13 4 -23 -3 31.58 2.23 -4 23 3 32.81 2.23 4 23 3 27.40 2.14 -4 -23 -3 27.86 1.83 4 -23 -3 31.25 2.42 4 -23 3 31.29 2.37 -4 -23 3 26.58 1.95 4 -23 -3 33.60 2.58 -4 -23 -4 6.49 1.29 -4 -23 4 2.89 1.01 4 -23 4 2.52 1.28 4 -23 4 2.14 1.24 -4 23 4 3.11 1.66 -4 23 -4 2.20 1.43 -4 -23 -4 6.95 1.19 -4 -23 -4 4.59 1.38 4 23 -4 4.08 1.04 -4 -23 -4 5.57 0.94 -4 -23 -4 4.80 1.14 4 -23 4 3.01 1.37 4 -23 4 6.24 1.13 4 23 -4 4.83 0.78 -4 23 -4 3.70 1.36 -4 -23 -4 4.65 0.91 4 -23 -4 5.90 1.51 4 -23 4 4.27 1.37 4 23 4 2.62 1.05 4 -23 -4 6.24 1.50 4 -23 -4 5.45 1.26 -4 23 -4 2.60 1.13 4 -23 -4 5.06 1.30 -4 23 4 6.38 1.32 4 23 4 3.87 1.40 -4 -23 4 4.01 0.89 -4 23 4 5.03 1.51 4 -23 -5 44.83 2.74 -4 -23 5 37.00 2.60 4 23 5 38.07 2.99 4 -23 5 39.40 2.87 4 -23 -5 42.08 2.93 -4 -23 -5 43.83 2.87 -4 -23 -5 41.19 2.77 4 -23 -5 40.84 2.99 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5.53 1.29 -4 -23 -7 6.04 1.86 -4 23 -7 5.35 1.67 4 -23 7 3.73 1.66 -4 -23 7 5.19 1.44 -4 -23 -7 5.64 1.33 -4 -23 8 0.95 1.32 -4 -23 -8 4.20 1.39 4 -23 -8 4.16 1.89 -4 -23 -8 1.27 1.81 4 -23 -8 1.94 1.88 -4 23 -8 2.70 1.83 -4 23 8 1.14 1.87 -4 -23 8 1.80 1.00 4 -23 8 2.34 1.28 4 -23 8 2.29 1.64 -4 -23 -8 1.48 1.99 4 -23 -8 4.09 1.67 4 -23 8 2.68 1.61 -4 23 8 2.77 2.24 4 -23 8 0.66 1.72 -4 23 -8 2.31 1.74 4 -23 -8 2.05 1.45 -4 -23 -8 -1.88 1.53 4 23 8 1.92 2.00 -4 -23 8 1.61 1.36 -4 23 -9 6.80 2.02 -4 -23 -9 5.90 2.15 -4 23 -9 9.11 2.13 -4 23 9 8.99 2.20 4 -23 -9 9.44 2.21 -4 -23 -9 9.66 1.70 5 -23 0 19.97 1.83 5 23 0 21.04 1.67 -5 23 0 24.50 1.93 -5 -23 0 24.69 1.59 -5 23 0 27.21 2.25 5 -23 0 26.13 2.19 5 -23 0 27.12 2.21 -5 -23 0 24.74 1.60 5 -23 0 28.18 1.99 -5 23 0 24.70 2.13 5 23 0 22.00 1.47 5 -23 0 25.79 2.13 5 -23 0 25.29 2.20 5 -23 0 23.68 1.98 5 -23 -1 9.17 1.26 5 -23 -1 7.68 1.25 5 -23 -1 10.18 1.22 5 -23 -1 8.11 1.43 5 -23 1 7.25 1.24 -5 23 1 6.83 1.24 -5 23 -1 9.08 1.37 5 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7 4.05 1.65 5 -23 -7 3.62 1.46 -5 23 -8 37.04 3.08 -5 -23 8 35.25 2.69 5 -23 8 37.17 2.99 -5 -23 8 36.64 2.51 -5 -23 -8 37.71 2.78 -5 23 -8 33.40 3.19 5 -23 8 35.11 3.02 -5 -23 -8 33.05 3.06 5 -23 -8 34.75 2.89 5 -23 8 37.18 3.09 5 -23 8 36.49 2.63 -5 -23 8 37.71 2.81 5 23 8 40.10 3.30 5 -23 -8 36.60 2.93 -5 23 8 38.29 3.55 5 -23 -8 37.44 3.23 -5 -23 8 33.38 2.28 -5 -23 -8 34.60 3.18 -5 -23 -8 33.82 2.79 5 -23 -8 41.89 3.27 -5 23 8 32.26 3.05 6 -23 0 333.92 17.05 6 -23 0 336.44 17.98 6 -23 0 358.78 17.20 6 -23 0 341.87 17.64 -6 23 0 328.12 17.04 6 -23 0 342.93 17.17 -6 23 0 333.36 18.05 -6 23 0 341.34 17.18 6 -23 1 15.25 1.71 6 -23 1 16.02 1.78 6 23 1 15.72 1.49 -6 23 -1 17.25 1.89 6 -23 1 17.50 1.60 -6 23 -1 15.62 1.57 6 -23 -1 18.72 1.78 -6 -23 -1 19.01 1.52 6 -23 1 15.29 1.63 6 23 1 15.50 1.31 -6 23 1 17.93 1.77 6 -23 -1 18.47 1.63 -6 23 1 19.10 1.95 6 -23 -1 16.28 1.61 -6 23 1 16.74 1.62 6 -23 -1 18.33 1.60 6 -23 1 14.53 1.51 -6 -23 -1 15.39 1.43 6 -23 -1 18.57 1.82 -6 23 -1 16.57 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23 6 17.27 2.33 -6 -23 6 14.13 1.38 6 23 6 12.35 2.00 6 -23 6 15.36 1.87 -6 23 6 17.08 1.94 6 -23 -6 16.96 2.11 6 -23 6 14.45 1.87 6 -23 6 14.85 1.63 -6 -23 -7 0.60 1.86 -6 -23 7 1.72 1.36 -6 23 -7 -0.69 1.73 6 -23 -7 0.28 1.83 -6 -23 -7 1.99 1.66 6 23 7 2.87 1.77 6 -23 7 2.00 1.68 -6 23 7 4.23 1.87 6 -23 -7 3.31 1.59 -6 -23 7 1.33 0.80 -6 -23 -7 1.10 1.43 -6 -23 -7 4.05 1.20 -6 -23 7 0.61 1.14 6 -23 7 2.98 1.61 -6 23 -7 4.14 1.70 6 -23 -7 3.31 1.82 -6 23 7 3.35 2.13 6 -23 -7 1.83 1.47 6 -23 7 2.19 1.26 6 -23 7 1.82 1.59 -6 -23 -8 3.67 1.86 -6 -23 -8 3.61 2.07 -6 -23 8 6.94 1.60 6 23 8 2.63 2.04 6 -23 8 5.44 1.79 -6 23 8 5.32 2.39 -6 23 -8 5.16 1.96 -6 -23 8 3.72 0.99 6 -23 -8 7.58 2.09 -6 23 8 6.11 2.05 6 -23 8 7.09 1.82 -6 -23 8 4.37 1.39 6 -23 -8 6.22 1.75 6 -23 8 6.72 1.92 6 -23 -8 6.93 1.68 -6 23 -8 7.08 1.91 6 -23 8 6.38 1.47 -6 -23 -8 5.57 1.39 7 -23 0 10.36 1.60 -7 23 0 12.75 1.70 -7 23 0 14.36 1.82 7 -23 0 12.99 1.48 7 -23 0 11.50 1.44 -7 23 0 10.31 1.49 7 -23 0 15.30 1.72 7 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23 -6 13.47 2.09 7 -23 6 15.97 1.92 -7 23 6 13.46 2.37 7 -23 -6 16.04 2.10 7 -23 6 13.47 1.95 -7 -23 -6 13.89 1.67 -7 -23 6 17.23 1.47 -7 23 -6 16.36 2.00 7 -23 -6 15.74 2.09 -7 23 6 15.15 2.11 -7 -23 -6 14.78 1.79 -7 23 6 13.65 1.93 7 -23 6 14.22 1.65 -7 -23 -6 10.90 1.98 -7 -23 -6 17.12 1.64 7 -23 6 15.29 1.97 7 -23 -6 14.93 1.82 7 -23 -6 14.67 1.87 -7 -23 6 13.26 1.35 7 -23 7 19.93 1.89 -7 23 7 16.65 2.30 7 -23 7 19.43 2.11 -7 -23 7 17.89 1.63 -7 23 -7 17.81 2.18 7 -23 -7 21.22 2.34 7 -23 7 19.85 2.17 -7 -23 -7 15.05 2.05 -7 -23 7 15.41 1.71 -7 -23 -7 17.48 2.22 -7 -23 -7 15.34 1.89 7 -23 -7 19.41 2.06 -7 23 -7 19.69 2.34 -7 -23 -7 22.89 1.94 7 -23 7 16.85 2.14 7 -23 -7 20.55 2.12 -7 23 7 21.47 2.67 -7 -23 -8 -0.10 1.80 -7 23 -8 1.07 1.85 -7 -23 8 -0.24 1.31 -7 23 8 4.00 2.41 7 -23 -8 1.15 1.66 7 -23 8 5.99 1.84 7 -23 8 1.13 1.84 -7 -23 -8 6.05 1.37 -7 -23 8 1.28 0.87 -7 23 8 6.74 2.09 -7 23 -8 4.17 1.96 7 -23 8 1.02 1.74 7 -23 -8 1.90 1.55 -7 -23 8 3.05 1.49 -7 -23 -8 1.75 2.02 7 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10 -23 0 2.42 1.49 -10 23 0 2.79 1.39 10 -23 0 1.50 1.30 -10 23 0 2.13 1.63 10 -23 0 2.92 1.28 10 -23 0 2.54 1.59 10 -23 -1 19.99 1.87 10 -23 -1 19.97 2.10 -10 23 -1 19.93 2.21 -10 23 1 19.33 1.96 10 -23 1 21.96 2.05 -10 23 -1 22.12 1.95 10 -23 -1 20.30 1.90 10 -23 1 20.49 2.10 -10 23 -1 18.20 2.06 10 -23 -1 19.26 2.05 10 -23 1 18.12 1.83 -10 23 1 17.89 2.23 10 -23 1 15.56 1.89 -10 23 1 19.24 2.14 10 -23 2 27.21 2.36 10 -23 -2 26.54 2.19 10 -23 2 30.11 2.62 -10 23 -2 27.37 2.46 -10 23 2 26.47 2.54 -10 23 -2 25.08 2.29 10 -23 -2 24.48 2.34 -10 23 2 26.90 2.33 -10 -23 -2 23.24 1.91 -10 23 2 24.19 2.37 -10 -23 -2 23.93 1.83 -10 23 -2 20.61 2.26 10 -23 -2 23.11 2.24 10 -23 -2 28.10 2.35 10 -23 2 22.90 2.09 -10 23 -2 26.75 2.50 10 -23 2 23.31 2.25 10 -23 3 21.45 1.89 -10 -23 -3 20.46 1.43 10 -23 3 19.72 2.07 -10 -23 -3 20.23 1.85 10 -23 -3 20.43 2.01 -10 -23 -3 18.84 1.70 -10 23 3 24.51 2.29 -10 23 -3 19.57 2.33 10 -23 -3 22.00 1.99 -10 23 -3 19.69 1.99 -10 23 3 20.92 2.43 10 -23 3 20.13 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106.75 6.18 0 24 6 107.60 5.95 0 -24 6 106.67 5.73 0 24 6 122.99 6.42 0 -24 6 104.82 6.09 0 -24 -6 107.91 6.18 0 -24 -7 3.57 1.35 0 -24 -7 0.92 1.48 0 -24 -7 4.34 1.78 0 24 7 6.37 1.99 0 -24 -7 5.39 1.77 0 -24 7 2.47 1.08 0 -24 7 4.05 1.42 0 -24 7 2.66 1.41 0 24 7 4.18 1.72 0 -24 7 6.68 1.19 0 -24 -8 12.52 2.17 0 -24 8 16.14 1.63 0 -24 -8 16.72 1.84 0 -24 -8 17.20 2.00 0 -24 8 14.47 1.87 0 24 8 16.37 2.46 0 -24 8 13.48 1.53 0 -24 -8 14.70 2.25 0 -24 8 14.72 1.88 0 -24 9 3.21 1.63 0 -24 -9 4.20 1.59 0 -24 -9 0.20 2.06 0 -24 9 2.93 1.75 0 -24 -9 4.88 2.05 0 -24 9 4.88 1.43 0 24 9 4.90 2.34 1 -24 0 40.80 2.40 1 24 0 35.69 2.41 -1 -24 0 34.76 2.35 1 24 0 35.76 2.28 1 -24 0 32.86 2.22 1 -24 0 33.98 2.40 -1 -24 0 39.59 2.25 -1 24 0 36.70 2.52 -1 -24 -1 1.69 0.95 1 -24 -1 1.09 1.02 1 24 -1 0.47 0.86 -1 -24 1 1.43 0.92 1 -24 -1 0.76 0.84 -1 -24 -1 1.45 0.97 1 -24 -1 1.00 0.90 1 -24 1 0.56 0.77 -1 -24 1 0.70 0.71 -1 -24 1 1.22 0.89 -1 24 -1 0.70 0.80 -1 24 1 1.08 0.87 1 -24 -1 -0.31 0.82 -1 -24 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5.45 1.15 4 25 -2 4.59 0.68 -4 -25 2 3.78 0.80 4 -25 2 3.24 1.13 -4 25 2 4.43 1.42 4 25 2 4.54 0.96 4 -25 2 5.13 1.37 4 25 -2 3.51 0.89 -4 -25 -2 4.34 1.06 4 -25 -2 3.80 1.20 -4 -25 -2 4.71 1.00 -4 25 -2 2.95 1.30 -4 25 2 5.20 1.58 4 -25 -2 4.60 1.40 4 -25 -2 3.88 1.33 4 -25 2 4.34 1.31 4 -25 -2 4.15 1.43 -4 -25 -2 5.67 0.94 4 -25 2 3.43 1.16 4 -25 2 3.07 1.36 -4 25 -2 5.11 1.14 -4 25 -2 2.64 1.37 4 25 -3 34.89 1.99 -4 25 3 36.08 2.44 4 -25 -3 34.96 2.71 4 -25 3 35.18 2.30 -4 -25 -3 34.85 2.21 4 -25 3 35.43 2.48 -4 25 -3 34.90 2.36 -4 -25 -3 33.55 2.48 -4 -25 -3 34.75 2.16 4 25 3 34.25 2.24 -4 -25 3 32.23 2.13 4 -25 3 38.71 2.67 -4 -25 -3 32.65 2.32 4 -25 3 36.47 2.75 4 -25 -3 33.55 2.50 -4 -25 -3 36.14 2.49 -4 -25 3 30.74 2.16 -4 25 3 34.36 2.88 4 25 3 32.93 2.50 -4 25 -3 32.26 2.55 4 25 3 30.38 2.27 -4 25 -3 32.21 2.72 4 -25 -3 28.99 2.41 -4 25 3 32.65 2.59 4 -25 -3 35.99 2.71 -4 25 -3 37.02 2.71 4 -25 3 33.23 2.63 -4 -25 -4 4.11 0.88 -4 25 4 5.20 1.55 -4 -25 -4 4.72 1.44 -4 -25 4 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26 6 24.41 2.46 -3 26 6 24.64 2.61 -3 -26 6 23.40 2.24 -3 26 6 23.99 2.32 -3 -26 -6 23.15 2.12 -3 -26 6 27.03 1.75 -3 -26 -6 23.14 2.17 3 -26 -6 25.22 2.31 -3 -26 -6 25.95 2.36 3 -26 -6 25.88 2.40 -3 -26 7 11.05 1.37 -3 -26 -7 11.57 2.05 3 -26 7 10.34 1.80 3 -26 7 11.04 1.63 3 -26 -7 8.42 1.78 3 -26 -7 14.25 2.04 -3 -26 -7 9.45 1.92 -3 -26 -7 10.07 1.72 3 -26 7 9.79 1.76 3 26 7 10.11 2.09 -3 -26 7 9.93 1.47 3 -26 -7 9.97 1.99 -3 -26 7 12.34 1.23 -3 -26 -7 9.73 1.48 3 -26 7 8.54 1.43 3 -26 -7 9.80 1.69 -3 26 7 10.17 2.31 -3 -26 7 10.04 1.65 -3 26 7 10.89 2.00 3 -26 -8 16.18 2.39 -3 -26 8 19.69 1.74 3 -26 8 18.41 2.15 3 -26 -8 18.73 2.24 3 -26 -8 18.16 2.43 -3 -26 -8 20.06 1.97 -3 -26 -8 21.42 2.37 -3 -26 8 20.60 1.81 -3 -26 -8 19.62 2.49 -3 -26 8 19.44 1.93 -3 26 8 16.60 2.73 3 -26 -8 20.14 2.14 -3 26 8 19.63 2.38 3 -26 8 22.40 2.09 3 26 8 16.39 2.53 3 -26 8 19.99 2.19 -4 -26 0 20.37 1.50 -4 -26 0 18.98 1.52 -4 26 0 16.69 1.80 4 -26 0 14.64 1.66 4 -26 0 13.74 1.48 4 -26 0 14.91 1.68 -4 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8 2.39 2.33 -4 -26 8 2.57 1.39 -4 26 8 5.88 2.07 4 -26 -8 0.09 1.56 4 -26 8 2.82 1.78 -4 -26 -8 3.44 1.41 -4 -26 -8 1.90 1.90 -4 -26 8 1.66 1.04 4 -26 -8 3.59 2.04 4 -26 8 2.68 1.72 -4 -26 8 2.18 1.26 -5 26 0 4.97 1.45 5 -26 0 5.16 1.41 5 26 0 5.07 0.74 5 -26 0 4.54 1.24 -5 26 0 2.58 1.17 5 -26 0 4.60 1.47 -5 -26 0 6.31 0.89 5 -26 0 4.67 1.19 -5 -26 0 5.64 0.90 -5 26 0 4.25 1.56 5 -26 1 37.90 2.93 5 -26 -1 39.15 2.91 -5 -26 -1 42.06 2.51 -5 26 1 43.63 2.70 5 -26 1 38.10 2.58 5 -26 -1 40.01 2.93 -5 26 1 35.99 3.06 5 -26 1 40.93 2.95 -5 26 -1 38.23 2.62 5 26 1 37.71 2.34 -5 26 1 41.45 2.92 5 26 1 38.33 2.33 5 -26 -1 39.70 2.68 5 -26 -1 39.03 2.72 5 -26 1 38.59 2.71 -5 -26 -1 42.62 2.51 -5 26 -1 40.89 3.04 -5 26 -1 42.59 2.85 5 -26 -2 36.17 2.73 5 -26 2 38.73 2.74 -5 -26 -2 41.75 2.31 -5 -26 -2 42.05 2.30 5 -26 2 36.71 2.62 -5 -26 -2 39.03 2.57 5 -26 -2 41.97 2.90 5 -26 2 37.56 2.93 -5 -26 -2 39.55 2.27 -5 26 2 37.55 3.12 -5 26 2 37.04 2.72 5 -26 2 38.47 2.94 -5 26 2 43.09 2.93 5 -26 -2 41.19 2.70 -5 26 -2 40.82 2.68 -5 26 -2 38.67 3.02 5 -26 -2 41.44 2.99 -5 -26 -2 44.30 2.66 -5 26 -2 40.69 2.85 -5 26 -3 45.62 3.28 5 -26 3 43.06 3.03 5 -26 -3 47.82 3.11 -5 -26 -3 50.07 2.77 5 -26 -3 46.36 3.18 5 -26 -3 47.53 3.27 5 -26 3 48.04 3.21 -5 -26 -3 46.86 3.01 -5 26 -3 41.01 3.05 5 -26 -3 48.72 3.01 -5 -26 -3 48.58 3.00 -5 26 3 44.67 3.15 -5 26 3 46.96 3.45 -5 -26 -3 43.81 2.68 -5 -26 -3 46.06 2.66 -5 26 -3 41.74 3.29 -5 26 3 43.71 2.99 5 -26 3 42.05 2.86 5 -26 3 46.24 3.14 -5 -26 -4 73.59 4.23 5 -26 -4 72.72 4.37 5 -26 4 70.00 4.25 -5 -26 -4 67.38 4.18 5 -26 4 71.12 4.00 -5 -26 -4 73.89 3.97 5 -26 4 67.56 4.18 5 -26 4 74.68 4.28 -5 26 -4 70.69 4.17 -5 -26 -4 67.88 3.89 5 -26 -4 67.57 4.11 -5 -26 4 65.73 3.86 -5 -26 4 69.59 3.84 -5 26 -4 71.80 4.45 -5 26 4 66.96 4.52 5 -26 -4 65.98 4.28 5 -26 -4 73.57 4.26 -5 26 4 69.44 4.23 -5 26 4 68.55 4.13 5 -26 5 73.36 4.20 -5 26 -5 68.22 4.19 5 -26 -5 68.82 4.37 5 -26 -5 62.58 4.22 5 -26 5 74.65 4.00 5 -26 -5 72.25 4.16 5 -26 5 71.71 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-30 1 0.82 0.99 0 -30 2 302.54 15.14 0 -30 -2 276.11 14.59 0 -30 2 288.22 15.09 0 -30 -2 290.00 14.71 0 -30 -2 295.74 15.18 0 30 2 296.05 15.52 0 -30 -2 287.12 15.16 0 -30 2 294.22 14.52 0 -30 2 290.55 14.64 0 -30 -2 287.30 15.31 0 -30 -3 3.06 1.02 0 -30 3 2.11 1.02 0 -30 3 5.84 1.38 0 -30 -3 3.14 1.24 0 30 3 2.25 1.58 0 -30 3 4.72 1.25 0 -30 -3 3.96 1.50 0 -30 3 6.05 1.23 0 -30 -3 3.04 1.43 0 -30 4 132.31 7.33 0 -30 -4 135.07 7.15 0 -30 4 138.44 7.29 0 -30 4 138.64 7.01 0 -30 -4 130.67 7.13 0 -30 4 133.88 6.98 0 -30 -4 137.63 7.42 0 30 4 139.93 7.65 0 -30 -4 128.23 7.35 0 -30 5 2.30 1.30 0 -30 5 1.87 1.07 0 -30 -5 -0.26 1.34 0 -30 5 1.49 1.40 0 -30 5 1.98 1.31 0 -30 -5 0.71 1.18 0 -30 -5 3.26 1.64 0 30 5 -0.56 1.75 0 -30 -5 2.27 1.65 0 -30 -6 2.95 1.82 0 -30 -6 4.97 1.84 0 -30 6 5.69 1.44 0 -30 6 6.72 1.47 0 -30 -6 4.44 1.56 0 -30 -6 3.77 1.35 0 -30 6 6.27 1.18 0 30 6 3.19 2.00 1 -30 0 79.45 4.63 1 -30 0 77.58 4.41 1 -30 0 78.11 4.43 -1 -30 0 80.34 4.28 -1 -30 0 80.59 4.29 1 -30 0 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1.75 -1 30 6 16.40 2.17 -1 -30 -6 18.80 2.15 -1 30 6 22.86 2.52 1 -30 -6 17.77 2.02 1 -30 -6 17.57 1.84 1 -30 -6 17.47 2.20 1 -30 6 22.06 1.96 2 -30 0 5.14 1.16 -2 -30 0 16.76 1.35 -2 30 0 9.78 1.63 -2 -30 0 9.64 1.29 2 -30 0 9.62 1.49 2 -30 0 10.08 1.55 2 -30 0 9.95 1.55 2 -30 0 8.61 1.30 -2 -30 0 9.38 1.31 2 -30 -1 41.50 2.66 -2 -30 1 41.72 2.33 -2 30 -1 39.81 3.03 2 -30 1 43.24 3.00 2 -30 -1 41.51 3.00 -2 -30 -1 39.79 2.44 -2 -30 1 43.23 2.70 2 -30 1 38.75 2.79 -2 -30 -1 39.43 2.80 -2 30 1 42.48 2.91 -2 -30 1 42.49 2.67 -2 -30 -1 39.72 2.50 -2 -30 -1 39.55 2.74 2 -30 -1 36.26 2.63 2 -30 1 41.00 2.63 2 -30 -1 37.61 2.85 -2 -30 1 42.08 2.34 2 -30 1 40.14 2.88 -2 30 1 38.71 3.04 2 -30 1 40.59 2.59 2 -30 2 36.78 2.70 -2 -30 -2 34.02 2.58 2 -30 -2 30.56 2.60 2 -30 2 34.69 2.71 2 -30 2 34.36 2.26 -2 -30 -2 31.78 2.21 -2 -30 2 32.07 2.38 -2 -30 -2 30.83 2.50 -2 30 2 32.38 2.57 -2 -30 -2 30.04 2.34 -2 30 2 32.49 2.84 -2 -30 2 33.37 1.95 2 -30 2 31.06 2.59 2 -30 2 33.41 2.27 2 -30 -2 30.52 2.34 2 -30 -2 31.24 2.72 -2 -30 2 35.40 2.33 2 -30 -2 36.48 2.45 -2 30 -2 34.53 2.70 -2 -30 3 18.66 1.60 2 -30 -3 18.60 1.80 2 -30 3 17.45 1.68 -2 -30 -3 17.14 1.71 -2 -30 -3 15.64 1.38 2 -30 -3 16.23 1.93 -2 -30 3 18.25 1.33 -2 -30 3 19.04 1.80 -2 30 3 19.50 1.91 -2 -30 -3 16.86 1.73 2 -30 3 16.82 1.63 -2 -30 -3 16.53 1.81 2 -30 3 18.69 1.79 2 -30 -3 17.13 1.94 -2 -30 -3 16.27 1.60 -2 30 3 19.77 2.15 2 -30 -3 16.44 1.64 2 -30 3 19.12 1.79 -2 -30 -4 9.17 1.54 -2 -30 -4 7.12 1.09 -2 30 4 8.43 1.70 -2 -30 -4 6.40 1.33 2 -30 4 7.11 1.28 2 -30 -4 4.99 1.71 -2 -30 4 8.65 0.96 2 -30 -4 4.92 1.37 -2 -30 -4 7.24 1.63 2 -30 -4 6.74 1.75 2 -30 4 8.34 1.18 -2 30 4 8.97 1.94 2 -30 -4 7.43 1.49 -2 -30 4 10.11 1.27 2 -30 4 11.05 1.59 -2 -30 4 5.53 1.30 2 -30 4 7.19 1.46 2 -30 5 9.15 1.24 2 -30 -5 7.26 1.87 2 -30 5 10.75 1.57 2 -30 -5 11.84 1.87 -2 30 5 9.18 2.06 -2 30 5 10.12 1.80 -2 -30 -5 7.21 1.24 2 -30 -5 7.75 1.57 -2 -30 -5 6.85 1.70 -2 -30 5 6.92 1.46 2 -30 5 9.49 1.32 2 -30 5 10.70 1.68 2 -30 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3.17 -3 -30 -2 52.17 3.22 -3 30 2 53.50 3.62 -3 30 -2 57.81 3.50 3 -30 -2 47.33 3.33 3 -30 2 53.10 3.38 -3 -30 -2 52.99 2.99 -3 -30 2 49.99 3.07 -3 -30 -2 51.19 2.93 -3 -30 2 47.57 3.03 3 -30 2 49.98 3.15 3 -30 2 53.69 3.42 -3 30 2 55.24 3.36 3 -30 -2 48.08 3.20 3 -30 -3 14.39 1.85 -3 -30 -3 12.14 1.62 -3 -30 -3 7.85 1.32 3 -30 3 12.47 1.63 -3 -30 -3 10.60 1.46 3 -30 3 11.03 1.40 -3 -30 3 12.50 1.25 3 -30 -3 10.73 1.61 -3 -30 -3 11.59 1.49 3 -30 -3 11.87 1.49 3 -30 -3 10.90 1.81 3 -30 3 11.21 1.67 -3 -30 3 12.79 1.33 -3 30 3 14.27 1.98 3 -30 3 13.62 1.41 -3 30 3 11.82 1.76 3 -30 -4 4.50 1.45 -3 -30 -4 2.69 1.51 3 -30 -4 3.36 1.32 3 -30 -4 6.40 1.75 3 -30 -4 5.05 1.70 -3 30 4 5.50 1.68 -3 -30 -4 4.62 1.45 -3 -30 4 3.97 1.08 -3 -30 -4 2.90 0.85 3 -30 4 2.76 1.42 -3 -30 4 4.74 1.20 3 -30 4 4.28 1.23 3 -30 4 4.20 1.22 -3 -30 -4 3.21 1.24 3 -30 4 5.91 1.58 -3 30 4 5.93 1.92 3 -30 5 7.64 1.37 -3 30 5 7.77 2.08 3 -30 -5 6.34 1.46 3 -30 -5 8.67 1.90 -3 -30 -5 7.27 1.65 -3 -30 -5 6.84 1.76 3 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1.85 -4 -30 -2 14.15 1.25 -4 -30 -2 15.48 1.47 -4 -30 2 12.65 1.24 4 -30 -2 16.55 1.89 4 -30 2 15.59 1.78 4 -30 2 12.01 1.51 -4 30 -2 13.90 1.71 4 -30 -2 12.48 1.53 -4 -30 2 12.94 1.21 4 -30 -2 12.73 1.61 -4 30 -2 17.40 1.87 4 -30 2 12.83 1.76 -4 -30 -2 13.93 1.51 4 -30 -3 18.11 2.08 -4 -30 -3 19.52 1.70 -4 30 -3 18.55 2.12 -4 -30 -3 16.81 1.80 4 -30 3 17.60 1.93 4 -30 -3 18.05 1.79 4 -30 3 18.86 1.73 -4 -30 -3 17.86 1.62 4 -30 3 16.61 1.69 4 -30 -3 18.17 2.04 -4 -30 3 16.03 1.64 -4 30 -3 19.14 2.08 4 -30 -3 18.63 1.87 -4 30 3 20.29 2.05 -4 -30 3 18.39 1.60 4 -30 3 19.36 1.99 -4 -30 -3 18.93 1.75 -4 30 3 21.65 2.30 4 -30 4 24.38 2.21 4 -30 -4 21.00 2.30 4 -30 4 26.31 2.06 -4 -30 4 26.60 1.88 -4 -30 4 24.49 1.97 -4 -30 -4 26.55 2.13 4 -30 -4 23.86 2.27 -4 30 4 23.02 2.31 -4 30 4 25.26 2.56 -4 -30 -4 21.90 2.15 4 -30 4 27.15 2.42 4 -30 4 25.29 2.25 4 -30 -4 23.87 2.34 4 -30 -4 26.31 2.57 -4 -30 -4 22.89 1.99 -4 30 5 36.34 2.99 -4 30 5 38.87 3.32 -4 -30 5 32.13 2.53 4 -30 -5 37.99 2.90 -4 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8.34 1.68 10 -30 2 4.98 1.99 -10 30 -2 9.21 2.06 10 -30 2 6.67 1.58 -10 30 2 6.01 2.15 10 -30 2 7.57 1.88 10 -30 -2 7.86 1.59 -10 30 2 5.36 2.03 10 -30 2 6.33 1.54 10 -30 -2 8.36 1.98 10 -30 -2 3.40 1.97 10 -30 3 3.55 1.91 10 -30 -3 -0.40 1.86 10 -30 3 0.08 1.52 10 -30 -3 -1.33 1.50 10 -30 -3 1.07 1.45 -10 30 -3 0.95 1.86 -10 30 3 0.35 2.02 -10 -30 -3 -1.36 1.18 -10 30 3 -1.56 2.07 -10 30 -3 -0.06 2.02 -10 30 -3 -1.05 1.93 10 -30 3 -0.46 1.75 10 -30 -3 -0.70 1.87 -10 -30 -3 1.00 1.03 11 -30 0 19.10 2.29 11 -30 0 16.69 1.98 11 -30 0 18.07 2.06 -11 30 0 12.76 2.27 11 -30 0 18.41 2.37 -11 30 0 16.92 2.43 11 -30 1 6.09 2.02 -11 30 -1 4.25 2.11 11 -30 -1 7.65 1.74 -11 30 -1 8.17 2.03 -11 30 1 6.89 2.10 11 -30 -1 9.76 1.79 11 -30 -1 8.22 2.01 11 -30 1 8.73 1.69 11 -30 -1 8.62 2.14 11 -30 1 7.01 1.65 11 -30 1 7.08 1.92 -11 30 1 6.96 2.19 0 -31 0 1.41 1.04 0 -31 0 2.86 1.30 0 -31 0 2.94 1.20 0 -31 0 3.68 1.31 0 -31 -1 5.97 1.20 0 -31 -1 5.69 1.42 0 -31 1 6.84 1.33 0 -31 1 2.30 1.32 0 -31 -1 8.50 1.36 0 -31 1 7.04 1.23 0 -31 1 7.10 1.11 0 -31 -1 5.23 1.39 0 -31 -1 3.84 0.86 0 -31 2 2.65 1.01 0 -31 -3 75.08 4.41 0 -31 3 82.85 4.32 0 -31 3 80.98 4.25 0 -31 3 77.78 4.61 0 -31 -3 78.24 4.49 0 -31 -3 73.36 4.67 0 -31 -3 78.21 4.40 0 -31 3 80.01 4.52 0 -31 -4 3.21 1.15 0 -31 -4 6.79 1.62 0 -31 4 4.01 1.42 0 -31 -4 3.67 1.36 0 -31 -5 33.87 2.86 0 -31 5 33.03 2.68 0 -31 5 35.59 2.33 0 -31 -5 33.64 2.61 0 -31 5 38.69 2.58 0 -31 -5 35.15 2.55 0 -31 -5 34.96 2.91 0 -31 6 0.08 1.40 0 -31 6 -1.26 1.39 0 -31 -6 0.00 1.80 0 -31 6 -0.81 1.09 0 -31 -6 0.30 1.81 0 -31 -6 -0.20 1.27 1 -31 0 44.65 2.78 1 -31 0 48.35 3.21 -1 -31 0 49.13 2.78 -1 -31 0 42.88 3.03 -1 -31 0 47.00 2.82 1 -31 0 45.49 3.13 1 -31 0 48.22 2.86 -1 -31 0 51.75 3.10 1 -31 0 45.06 3.00 -1 -31 -1 6.80 1.39 1 -31 -1 7.80 1.47 1 -31 1 6.10 1.33 -1 -31 -1 5.38 1.36 -1 -31 -1 6.92 1.30 -1 -31 1 8.41 1.31 -1 -31 1 7.69 1.33 1 -31 -1 5.85 1.07 1 -31 1 6.77 1.44 -1 -31 -1 9.69 1.21 -1 -31 1 8.68 1.13 -1 -31 1 6.51 1.03 1 -31 -1 7.34 1.28 1 -31 1 8.05 1.21 1 -31 -1 7.07 1.53 1 -31 1 7.14 1.46 1 -31 -2 19.83 2.01 1 -31 2 22.60 1.82 -1 -31 2 20.74 1.98 1 -31 2 20.56 1.80 1 -31 2 23.43 1.95 -1 -31 -2 21.08 1.93 -1 -31 2 21.40 1.73 1 -31 -2 19.01 1.78 1 -31 -2 18.60 1.82 -1 31 2 21.43 2.18 -1 -31 2 20.12 2.00 -1 -31 -2 22.40 1.90 1 -31 2 22.50 2.13 -1 -31 -2 21.30 2.00 1 -31 -2 22.05 1.96 -1 -31 2 23.41 1.63 -1 -31 -2 19.56 1.81 1 -31 -3 22.51 2.10 -1 31 3 23.74 2.31 -1 -31 -3 18.28 1.66 1 -31 -3 25.18 2.09 -1 -31 3 25.76 1.79 -1 -31 3 23.13 2.04 1 -31 3 27.64 2.22 1 -31 3 21.42 2.16 -1 -31 3 24.05 1.65 1 -31 -3 19.88 1.87 -1 -31 -3 21.32 1.90 1 -31 -3 17.36 1.87 -1 -31 -3 19.14 1.89 1 -31 3 24.62 2.36 -1 -31 -3 19.79 2.02 -1 -31 3 21.35 2.14 1 -31 3 24.20 1.81 1 -31 4 24.48 1.83 1 -31 -4 21.07 2.07 1 -31 -4 20.16 1.87 -1 -31 -4 21.88 2.07 -1 -31 4 23.80 1.68 -1 -31 -4 21.35 2.16 -1 -31 -4 20.92 2.01 1 -31 -4 21.35 2.21 1 -31 -4 21.10 2.13 -1 -31 -4 20.66 1.83 -1 -31 4 25.53 2.01 1 -31 4 25.20 2.21 -1 -31 4 19.46 1.89 1 -31 4 27.62 2.24 -1 31 4 23.49 2.39 -1 -31 4 20.74 2.07 -1 -31 -5 14.38 1.75 -1 -31 5 16.46 1.70 1 -31 -5 15.36 2.09 1 -31 5 19.60 1.82 1 -31 5 16.86 1.80 1 -31 -5 15.38 1.85 -1 -31 5 16.44 1.52 1 -31 -5 15.84 2.06 -1 -31 -5 17.61 2.05 -1 -31 -5 17.27 1.62 1 -31 5 19.72 1.75 1 -31 -5 16.09 1.72 -1 -31 5 16.80 1.53 -1 -31 -5 17.21 1.98 -1 31 5 18.74 2.31 -1 -31 5 15.64 1.78 -1 -31 6 6.77 1.48 -1 -31 -6 8.70 1.88 -1 -31 -6 9.21 1.96 1 -31 6 7.87 1.57 1 -31 -6 4.81 1.46 1 -31 6 8.50 1.66 -1 -31 6 8.53 1.21 1 -31 -6 7.70 1.96 -1 -31 6 10.10 1.39 1 -31 -6 6.10 1.97 -1 -31 -6 7.39 1.39 2 -31 0 9.01 1.22 2 -31 0 10.21 1.55 -2 -31 0 9.65 1.09 -2 31 0 10.98 1.70 -2 -31 0 11.99 1.10 -2 -31 0 8.19 1.31 -2 -31 0 10.58 1.37 2 -31 0 8.91 1.60 2 -31 0 8.31 1.35 -2 -31 -1 31.63 1.99 -2 -31 1 26.53 2.26 -2 -31 1 29.43 2.24 2 -31 1 31.84 2.45 -2 -31 -1 30.82 2.09 2 -31 -1 24.93 2.44 -2 -31 1 30.37 1.84 -2 -31 -1 29.70 2.43 2 -31 -1 27.98 2.52 2 -31 -1 26.68 2.12 2 -31 -1 28.15 2.21 2 -31 1 29.32 2.47 2 -31 1 30.55 2.17 -2 31 1 28.27 2.63 -2 -31 -1 32.43 2.29 2 -31 1 31.11 2.08 -2 -31 1 28.41 1.83 -2 -31 2 14.98 1.52 2 -31 2 13.94 1.36 2 -31 -2 15.60 1.55 -2 -31 -2 16.63 1.55 -2 31 2 15.47 2.00 2 -31 2 18.70 1.76 -2 -31 -2 13.73 1.66 2 -31 -2 15.84 1.84 -2 -31 2 13.81 1.22 2 -31 -2 17.35 1.87 -2 -31 -2 15.86 1.63 2 -31 2 16.13 1.53 -2 -31 2 15.42 1.46 2 -31 2 18.92 1.74 2 -31 -2 14.07 1.65 -2 -31 -2 15.95 1.46 2 -31 3 15.55 1.69 -2 -31 -3 14.52 1.61 2 -31 -3 17.90 1.90 2 -31 3 14.20 1.34 2 -31 3 14.72 1.71 -2 -31 3 14.94 1.45 -2 -31 3 13.09 1.49 -2 -31 -3 14.71 1.50 2 -31 -3 15.24 1.86 -2 31 3 13.91 2.03 -2 -31 -3 12.82 1.65 2 -31 -3 16.30 1.73 2 -31 3 15.78 1.51 -2 -31 -3 13.05 1.71 2 -31 -3 12.53 1.51 -2 -31 -4 15.55 1.65 2 -31 4 17.91 1.46 -2 -31 -4 14.38 1.52 2 -31 4 18.62 1.84 -2 31 4 17.38 1.99 -2 -31 4 15.37 1.62 -2 -31 -4 18.89 1.91 2 -31 -4 17.00 2.06 2 -31 -4 18.35 2.03 2 -31 4 16.54 1.59 -2 -31 4 15.51 1.56 2 -31 4 17.59 1.83 2 -31 -4 14.49 1.79 -2 31 4 17.91 2.22 -2 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41.44 2.78 -3 31 1 39.60 3.26 3 -31 -1 44.66 2.85 -3 31 -1 45.88 3.23 -3 31 1 43.02 3.07 -3 -31 2 1.82 1.09 3 -31 -2 2.28 1.57 -3 -31 -2 1.46 1.21 -3 -31 2 2.61 1.03 3 -31 2 2.14 1.47 3 -31 -2 2.10 1.29 3 -31 -2 2.31 1.54 -3 -31 -2 0.97 1.09 3 -31 2 2.17 1.15 3 -31 -2 1.39 1.16 3 -31 2 3.38 1.42 3 -31 2 2.10 1.10 -3 -31 -2 4.26 1.29 -3 31 2 3.95 1.70 -3 -31 -2 1.96 0.98 -3 31 2 2.05 1.55 -3 -31 3 2.74 1.13 -3 -31 3 3.44 1.05 3 -31 3 2.19 1.17 -3 -31 -3 2.85 1.38 -3 -31 -3 3.61 1.29 3 -31 -3 2.70 1.26 -3 -31 -3 2.91 1.11 3 -31 -3 2.69 1.60 3 -31 3 3.12 1.16 -3 -31 -3 3.64 1.29 3 -31 3 4.82 1.51 3 -31 3 5.19 1.48 3 -31 -3 1.82 1.34 -3 31 3 2.70 1.80 -3 31 3 2.87 1.57 3 -31 -3 1.54 1.59 3 -31 4 18.23 1.86 -3 -31 4 17.32 1.76 -3 -31 4 16.10 1.62 3 -31 -4 15.72 1.79 3 -31 -4 16.28 2.13 -3 -31 -4 19.97 1.97 -3 -31 -4 17.56 1.70 3 -31 -4 21.31 2.14 -3 -31 -4 17.13 1.83 3 -31 -4 21.24 1.98 -3 31 4 21.84 2.13 -3 31 4 19.92 2.35 3 -31 4 20.03 1.96 3 -31 4 18.33 1.94 3 -31 4 20.45 1.76 -3 -31 -5 9.65 1.55 -3 -31 5 11.21 1.50 -3 -31 5 10.79 1.36 -3 31 5 10.80 2.22 -3 -31 -5 10.23 1.77 3 -31 5 11.20 1.76 -3 -31 -5 12.09 1.25 3 -31 -5 10.55 1.76 -3 31 5 10.60 1.94 3 -31 5 16.21 1.91 -3 -31 -5 10.75 1.91 3 -31 5 13.52 1.50 3 -31 5 12.72 1.50 3 -31 -5 9.78 2.00 3 -31 -5 12.76 2.02 3 -31 -5 10.92 1.62 3 -31 -6 2.08 1.90 3 -31 -6 0.88 1.89 3 -31 6 5.04 1.67 -3 -31 -6 0.21 1.12 -3 -31 -6 2.80 1.72 -3 -31 -6 0.59 1.85 -3 31 6 2.39 2.12 -3 -31 6 1.53 1.23 -3 31 6 1.19 1.79 3 -31 6 1.36 1.57 3 -31 -6 2.23 1.45 3 -31 6 1.77 1.28 -3 -31 6 3.35 1.42 -4 -31 0 39.19 2.50 4 -31 0 39.65 2.64 4 -31 0 37.19 2.90 -4 31 0 36.38 2.89 4 -31 0 38.71 2.64 -4 31 0 39.42 3.07 -4 -31 0 36.90 2.47 4 -31 0 38.42 2.91 -4 31 1 -0.87 1.55 4 -31 -1 0.69 1.51 4 -31 -1 1.23 1.20 -4 -31 -1 0.28 1.11 -4 -31 1 0.54 0.98 -4 31 -1 -0.93 1.57 4 -31 1 0.45 1.15 4 -31 1 1.15 1.52 4 -31 1 -0.38 1.45 4 -31 1 0.56 1.20 4 -31 -1 2.42 1.50 -4 -31 -1 0.30 1.09 4 -31 -1 0.50 1.23 -4 31 1 2.46 1.52 -4 -31 1 3.14 0.94 4 -31 2 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8.95 1.63 4 -31 -5 7.71 1.61 -4 -31 -5 9.36 1.51 -4 -31 5 9.56 1.23 4 -31 5 8.58 1.43 -4 -31 -5 7.85 1.83 4 -31 -5 10.59 2.02 4 -31 -5 10.59 2.02 -4 31 5 9.62 2.19 -4 31 5 7.75 1.93 4 -31 -5 11.89 1.84 5 -31 0 -0.99 1.50 5 -31 0 0.19 1.26 -5 31 0 -1.62 1.58 5 -31 0 1.33 1.24 -5 -31 0 0.08 0.91 -5 -31 0 0.74 0.92 -5 31 0 0.77 1.51 5 -31 0 -0.26 1.54 5 -31 1 3.57 1.26 5 -31 1 4.27 1.56 5 -31 1 4.05 1.28 5 -31 -1 2.18 1.65 -5 -31 -1 4.60 1.10 -5 -31 -1 6.31 1.14 -5 31 1 4.62 1.64 5 -31 -1 3.54 1.33 5 -31 -1 5.47 1.36 -5 31 -1 4.11 1.58 -5 31 1 4.46 1.72 -5 31 -1 5.80 1.71 5 -31 -1 4.02 1.64 5 -31 1 4.98 1.68 5 -31 -2 19.32 1.86 5 -31 2 18.98 1.80 5 -31 -2 20.29 2.11 5 -31 2 20.45 1.82 -5 -31 -2 20.49 1.93 5 -31 -2 17.05 2.12 5 -31 2 20.05 2.04 -5 31 2 15.62 2.19 -5 31 -2 18.44 1.98 -5 31 -2 19.14 2.16 5 -31 -2 19.88 1.92 -5 31 2 20.65 2.15 -5 -31 -2 18.83 1.73 5 -31 2 21.30 2.11 -5 31 3 6.50 1.82 -5 -31 -3 9.26 1.55 -5 -31 -3 9.84 1.39 -5 31 -3 9.68 1.92 5 -31 3 12.32 1.76 5 -31 -3 9.95 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1.13 0 -32 2 13.36 1.39 0 -32 -2 13.26 1.22 0 -32 -2 13.98 1.65 0 -32 -2 12.49 1.47 0 -32 2 13.51 1.63 0 -32 2 15.52 1.35 0 -32 -2 14.49 1.74 0 -32 2 12.84 1.57 0 -32 3 2.57 1.03 0 -32 -3 1.73 1.44 0 -32 3 4.01 1.30 0 -32 -3 4.17 1.54 0 -32 3 3.26 1.19 0 -32 3 1.56 1.35 0 -32 -3 1.62 1.23 0 -32 -3 0.28 0.97 0 -32 -4 44.08 3.06 0 -32 4 53.71 3.11 0 -32 4 47.48 3.34 0 -32 -4 50.99 3.43 0 -32 4 51.99 3.22 0 -32 -4 49.17 3.30 0 -32 -4 46.86 3.14 0 -32 4 51.29 2.92 0 -32 5 1.53 1.07 0 -32 5 2.54 1.39 0 -32 -5 1.94 1.77 0 -32 -5 0.40 1.65 0 -32 -5 1.97 1.24 0 -32 5 3.49 1.33 1 -32 0 45.76 2.91 1 -32 0 45.54 3.25 -1 -32 0 46.59 3.13 1 -32 0 46.40 2.79 -1 -32 0 46.30 3.10 -1 -32 0 49.07 2.81 1 -32 0 51.51 3.20 -1 -32 0 49.97 2.88 1 -32 0 47.18 3.06 1 -32 1 5.96 1.42 -1 -32 1 6.48 1.35 -1 -32 -1 6.44 1.40 1 -32 -1 7.15 1.53 1 -32 1 7.05 1.36 -1 -32 -1 5.14 1.26 -1 -32 1 8.97 1.13 1 -32 -1 6.83 1.30 -1 -32 -1 5.79 1.39 1 -32 1 8.82 1.23 1 -32 -1 6.32 1.46 1 -32 -1 5.15 1.03 -1 -32 -1 5.90 1.15 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23.99 2.10 -1 -32 -5 27.68 2.62 1 -32 5 26.81 2.43 1 -32 5 25.21 2.07 1 -32 5 26.70 2.38 1 -32 -5 23.81 2.21 -1 -32 5 25.04 2.41 -1 -32 5 27.36 1.88 -1 -32 5 26.38 2.24 -1 -32 -5 25.34 2.30 1 -32 -5 27.20 2.42 -2 -32 0 14.33 1.34 -2 -32 0 13.17 1.21 2 -32 0 13.25 1.33 -2 -32 0 13.29 1.50 2 -32 0 17.27 1.70 2 -32 0 13.94 1.51 2 -32 0 12.95 1.73 -2 -32 0 11.59 1.45 2 -32 1 34.65 2.42 -2 -32 -1 37.05 2.27 -2 -32 -1 34.87 2.33 -2 -32 1 34.38 2.55 -2 -32 1 36.61 2.52 2 -32 1 36.08 2.33 -2 -32 -1 38.96 2.64 2 -32 1 35.22 2.59 2 -32 -1 33.09 2.71 2 -32 -1 34.58 2.41 2 -32 1 36.60 2.76 2 -32 -1 36.47 2.79 -2 -32 -1 37.04 2.55 2 -32 -1 37.39 2.51 -2 -32 2 3.73 1.22 2 -32 -2 3.70 1.54 2 -32 2 6.15 1.45 -2 -32 2 5.88 1.18 2 -32 2 5.33 1.43 -2 -32 -2 4.56 1.22 2 -32 -2 1.99 1.28 -2 -32 -2 5.45 1.33 2 -32 -2 5.24 1.19 -2 -32 -2 6.95 1.43 2 -32 2 4.71 1.21 -2 -32 -2 3.35 1.08 2 -32 2 2.87 0.99 2 -32 -2 5.09 1.55 -2 -32 -3 5.33 1.35 2 -32 3 3.97 0.97 2 -32 3 5.45 1.20 -2 -32 3 5.30 1.18 2 -32 -3 3.74 1.22 -2 -32 -3 4.13 1.20 -2 -32 3 2.38 1.22 2 -32 -3 4.00 1.40 -2 -32 -3 3.52 1.51 2 -32 3 5.66 1.47 2 -32 3 4.18 1.44 2 -32 -3 4.85 1.62 2 -32 -3 6.31 1.65 -2 -32 -4 7.91 1.04 2 -32 4 7.91 1.57 -2 -32 4 8.99 1.29 2 -32 -4 10.39 1.62 -2 -32 -4 7.90 1.42 2 -32 -4 9.52 1.88 2 -32 -4 7.87 1.41 2 -32 4 10.04 1.63 2 -32 4 8.99 1.33 -2 -32 -4 8.44 1.69 2 -32 -4 8.62 1.81 -2 -32 -4 8.35 1.60 -2 -32 4 8.93 1.41 -2 -32 -5 4.11 1.74 -2 -32 -5 4.21 1.13 -2 -32 5 5.06 1.43 2 -32 5 7.90 1.64 2 -32 5 6.93 1.60 2 -32 -5 8.09 1.89 -2 -32 -5 6.63 1.67 2 -32 -5 5.48 1.42 2 -32 5 4.77 1.29 -2 -32 5 6.35 1.31 2 -32 -5 7.20 1.90 -3 -32 0 50.90 3.21 -3 -32 0 51.98 3.15 3 -32 0 56.48 3.51 3 -32 0 51.40 3.19 3 -32 0 53.93 3.37 3 -32 0 48.87 3.17 -3 32 1 2.08 1.60 -3 -32 1 5.94 1.11 3 -32 -1 4.16 1.31 -3 -32 -1 4.41 1.23 3 -32 1 6.36 1.30 -3 -32 -1 5.34 1.25 3 -32 1 5.63 1.54 3 -32 1 5.51 1.53 -3 -32 -1 4.42 0.91 3 -32 -1 5.65 1.24 -3 -32 1 3.98 1.15 3 -32 -1 3.74 1.57 3 -32 -1 4.59 1.58 3 -32 1 2.62 1.12 3 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1.89 -3 -32 5 8.96 1.31 3 -32 -5 10.45 2.00 -3 -32 5 7.77 1.43 3 -32 5 11.03 1.75 4 -32 0 8.25 1.41 4 -32 0 8.66 1.67 4 -32 0 8.25 1.34 4 -32 0 9.30 1.68 -4 -32 0 7.38 1.20 -4 -32 0 9.01 1.19 -4 32 0 10.04 1.78 -4 -32 -1 4.67 1.16 -4 -32 1 3.11 0.97 -4 -32 -1 1.36 1.15 4 -32 1 4.00 1.54 4 -32 -1 1.40 1.22 -4 -32 1 0.57 1.01 4 -32 1 2.07 1.53 4 -32 -1 1.45 1.27 4 -32 -1 3.18 1.60 4 -32 -1 2.13 1.56 -4 32 1 3.37 1.58 -4 32 1 1.38 1.62 4 -32 1 3.45 1.29 4 -32 1 2.84 1.20 -4 -32 2 1.23 0.97 -4 -32 -2 1.26 0.90 4 -32 2 2.14 1.19 -4 32 2 1.26 1.74 -4 -32 2 3.90 0.94 4 -32 -2 -0.13 1.58 -4 32 2 2.34 1.55 -4 -32 -2 1.68 1.26 4 -32 -2 1.68 1.31 4 -32 2 3.92 1.52 4 -32 2 -0.45 1.18 4 -32 -2 0.33 1.60 -4 -32 -2 2.26 1.19 4 -32 2 1.20 1.54 4 -32 -2 2.06 1.26 4 -32 3 3.11 1.27 -4 32 3 4.01 1.65 4 -32 -3 5.86 1.76 4 -32 -3 6.11 1.52 -4 -32 -3 5.28 1.32 4 -32 -3 2.76 1.31 -4 32 3 2.22 1.89 4 -32 -3 5.42 1.74 4 -32 3 2.90 1.59 -4 -32 3 2.09 1.03 -4 -32 -3 4.70 1.11 -4 -32 -3 3.19 1.44 -4 -32 -3 4.65 1.18 4 -32 3 3.33 1.50 -4 -32 3 5.01 0.98 4 -32 3 4.58 1.29 4 -32 -4 4.12 1.76 4 -32 4 1.48 1.56 -4 -32 -4 3.03 1.59 4 -32 4 4.18 1.29 4 -32 -4 1.55 1.54 -4 -32 4 2.18 1.00 -4 32 4 3.18 1.71 4 -32 4 2.24 1.65 -4 -32 -4 2.71 1.22 -4 -32 4 3.25 1.11 -4 32 4 -2.62 1.91 -4 -32 -4 1.35 1.32 4 -32 4 0.69 1.27 4 -32 -4 2.27 1.41 4 -32 -4 1.79 1.76 4 -32 5 7.11 1.45 4 -32 5 7.63 1.73 4 -32 -5 7.16 2.01 -4 -32 -5 4.10 1.58 -4 -32 5 6.99 1.31 -4 -32 -5 6.99 1.84 4 -32 -5 7.68 2.04 -4 32 5 7.78 1.96 4 -32 -5 7.52 1.59 4 -32 5 9.96 1.89 -4 -32 5 7.77 1.19 -4 32 5 7.05 2.20 5 -32 0 3.45 1.61 -5 -32 0 6.21 1.04 -5 32 0 7.53 1.72 5 -32 0 9.92 1.75 5 -32 0 5.66 1.32 5 -32 0 4.87 1.40 -5 -32 0 5.12 1.04 -5 32 0 6.00 1.74 5 -32 -1 3.21 1.63 -5 32 1 2.86 1.71 5 -32 -1 0.69 1.28 -5 32 1 1.82 1.63 -5 32 -1 1.02 1.66 -5 -32 -1 1.30 1.06 5 -32 1 3.57 1.64 5 -32 -1 2.19 1.60 -5 -32 -1 3.50 1.13 5 -32 -1 2.19 1.30 5 -32 1 0.48 1.22 -5 -32 1 2.48 0.87 5 -32 1 3.00 1.57 5 -32 1 3.11 1.28 -5 -32 -2 6.79 1.32 5 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1.71 -6 32 1 21.29 2.35 6 -32 -1 21.49 1.97 6 -32 1 20.69 2.04 6 -32 1 20.65 2.12 -6 32 -1 22.06 2.17 -6 32 1 19.68 2.20 6 -32 -1 21.56 2.21 -6 32 -1 19.89 2.30 -6 -32 -1 17.30 1.75 6 -32 1 23.81 2.27 6 -32 -1 17.26 1.90 -6 -32 -1 17.56 1.57 6 -32 1 21.92 1.93 6 -32 -1 20.31 2.21 -6 -32 -2 11.76 1.47 6 -32 2 13.91 1.67 6 -32 -2 12.01 1.67 6 -32 2 13.61 1.91 6 -32 -2 14.34 2.00 -6 32 -2 15.24 2.08 -6 -32 -2 13.17 1.39 6 -32 2 10.64 1.96 6 -32 -2 12.30 1.73 -6 32 2 12.10 2.12 6 -32 -2 13.08 2.03 -6 32 2 13.37 2.02 -6 32 -2 11.90 1.85 6 -32 2 13.75 1.66 6 -32 -3 25.36 2.44 -6 -32 -3 22.24 2.20 6 -32 3 25.48 2.38 6 -32 -3 24.81 2.25 -6 32 3 22.63 2.57 6 -32 -3 25.25 2.43 6 -32 3 22.61 2.28 6 -32 3 21.80 2.09 -6 32 3 25.26 2.42 6 -32 -3 23.20 2.28 -6 -32 -3 25.06 2.18 6 -32 3 24.64 2.29 6 -32 4 1.18 1.66 -6 32 4 0.81 2.01 6 -32 -4 1.60 1.86 -6 -32 -4 0.61 1.07 6 -32 4 1.15 1.44 6 -32 4 0.39 1.79 -6 32 4 1.73 1.82 -6 -32 -4 3.11 1.57 6 -32 -4 2.10 1.45 6 -32 -4 2.74 1.90 7 -32 0 29.87 2.88 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1.70 8 -32 0 4.25 1.82 8 -32 0 4.71 1.51 -8 32 0 5.75 1.85 8 -32 0 5.05 1.89 -8 32 0 6.22 2.02 8 -32 0 5.03 1.52 -8 32 -1 7.33 1.92 8 -32 -1 9.84 2.04 8 -32 -1 10.86 1.72 -8 32 1 6.41 1.96 8 -32 1 14.72 2.08 8 -32 1 8.96 1.61 8 -32 1 10.39 1.92 8 -32 -1 9.62 1.70 -8 32 -1 7.79 2.02 8 -32 -1 10.84 2.02 8 -32 1 7.37 1.61 -8 32 1 9.95 2.12 8 -32 -2 2.01 1.86 8 -32 2 2.60 1.74 -8 32 2 -2.44 1.81 -8 -32 -2 1.08 0.98 8 -32 -2 1.35 1.44 -8 -32 -2 0.96 1.11 8 -32 -2 0.09 1.78 8 -32 2 1.87 1.48 8 -32 -2 -1.15 1.44 -8 32 -2 0.28 1.69 -8 32 -2 2.12 1.93 8 -32 2 1.72 1.85 -8 32 2 0.21 1.97 8 -32 -3 25.24 2.56 -8 32 -3 23.60 2.40 -8 32 3 24.11 2.48 8 -32 3 23.24 2.46 -8 -32 -3 21.63 1.93 -8 32 3 21.53 2.67 -8 32 -3 27.23 2.62 8 -32 3 24.50 2.41 8 -32 -3 26.35 2.57 -8 -32 -3 22.84 2.08 8 -32 -3 23.03 2.22 8 -32 3 21.38 2.21 -8 32 -3 20.14 2.59 9 -32 0 1.08 1.95 9 -32 0 -1.24 1.74 9 -32 0 0.60 1.45 -9 32 0 0.36 1.93 -9 32 0 0.23 1.79 9 -32 1 1.54 1.47 9 -32 -1 4.07 1.87 9 -32 -1 3.15 1.95 -9 32 1 3.97 1.95 9 -32 1 2.67 1.81 9 -32 1 4.07 1.94 -9 32 -1 3.02 1.96 -9 32 -1 1.82 1.82 -9 32 1 0.89 2.00 9 -32 -1 2.63 1.52 -9 32 2 0.75 2.06 9 -32 -2 5.61 2.01 9 -32 2 0.08 1.89 -9 32 -2 1.08 1.79 -9 32 2 2.12 1.93 9 -32 2 3.84 1.86 9 -32 -2 0.77 1.51 9 -32 2 2.05 1.51 -9 32 -2 3.83 2.01 9 -32 -2 2.07 1.90 0 -33 0 3.07 1.24 0 -33 0 1.08 1.30 0 -33 0 3.32 1.34 0 -33 0 0.83 1.05 0 -33 -1 40.55 2.61 0 -33 1 40.16 2.83 0 -33 1 39.91 2.52 0 -33 -1 41.32 2.73 0 -33 1 40.74 2.63 0 -33 -1 35.71 2.85 0 -33 1 42.12 2.92 0 -33 -2 -0.66 0.82 0 -33 -2 1.47 1.42 0 -33 -2 1.05 1.38 0 -33 2 -0.15 1.08 0 -33 2 1.05 0.99 0 -33 2 0.82 1.34 0 -33 -2 0.51 1.15 0 -33 2 1.22 1.28 0 -33 -3 27.08 2.40 0 -33 -3 28.83 2.60 0 -33 -3 28.20 2.05 0 -33 3 29.76 2.22 0 -33 3 29.81 2.51 0 -33 3 28.43 2.37 0 -33 -3 27.39 2.27 0 -33 3 30.65 2.03 0 -33 -4 0.82 1.08 0 -33 -4 1.29 1.66 0 -33 4 2.96 1.36 0 -33 4 3.42 1.24 0 -33 4 1.22 1.42 0 -33 -4 1.43 1.59 0 -33 -4 1.12 1.36 0 -33 4 3.18 1.05 0 -33 -5 20.53 2.28 0 -33 -5 18.47 1.81 0 -33 5 22.10 1.83 0 -33 5 22.01 1.81 0 -33 -5 20.61 2.23 0 -33 5 23.52 2.21 1 -33 0 2.78 1.34 -1 -33 0 1.21 1.09 -1 -33 0 2.60 1.28 -1 -33 0 0.91 0.99 1 -33 0 4.34 1.15 1 -33 0 1.57 1.38 -1 -33 0 3.52 1.31 1 -33 -1 11.94 1.69 1 -33 -1 11.24 1.60 -1 -33 -1 12.98 1.33 1 -33 -1 10.12 1.16 -1 -33 1 10.65 1.46 1 -33 1 11.83 1.50 -1 -33 -1 12.61 1.58 1 -33 1 11.48 1.35 -1 -33 -1 9.94 1.38 1 -33 1 10.40 1.61 -1 -33 1 13.98 1.20 -1 -33 1 11.36 1.52 -1 -33 1 11.76 1.24 1 -33 -1 10.77 1.43 -1 -33 -1 10.90 1.54 1 -33 -2 15.91 1.63 1 -33 2 14.12 1.59 -1 -33 -2 14.78 1.60 1 -33 2 15.42 1.47 -1 -33 -2 14.94 1.74 -1 -33 -2 14.67 1.50 -1 -33 2 15.91 1.41 -1 -33 2 16.03 1.30 -1 -33 2 14.26 1.54 1 -33 2 14.24 1.68 1 -33 -2 14.18 1.77 1 -33 -2 12.72 1.36 1 -33 -2 13.04 1.81 -1 -33 2 12.99 1.62 1 -33 -3 5.42 1.63 -1 -33 3 3.95 0.93 1 -33 3 4.24 1.14 -1 -33 -3 4.56 1.55 1 -33 -3 3.75 1.33 -1 -33 -3 2.45 1.25 1 -33 -3 2.95 1.12 -1 -33 -3 4.38 1.45 1 -33 -3 3.24 1.59 -1 -33 3 2.48 1.32 1 -33 3 4.09 1.43 -1 -33 3 3.92 1.26 1 -33 3 4.50 1.37 -1 -33 -4 9.43 1.56 1 -33 4 12.82 1.41 1 -33 -4 7.92 1.86 -1 -33 -4 11.83 1.25 1 -33 -4 11.68 1.94 1 -33 4 12.88 1.68 -1 -33 4 11.48 1.48 -1 -33 4 13.91 1.21 -1 -33 4 10.85 1.60 1 -33 -4 11.97 1.67 1 -33 4 11.93 1.60 1 -33 -4 10.78 1.44 -1 -33 -4 10.70 1.77 -1 -33 -4 12.49 1.84 -1 -33 -5 18.94 2.19 1 -33 -5 19.50 2.24 -1 -33 5 16.81 1.82 -1 -33 -5 19.95 1.87 -1 -33 -5 16.50 2.07 1 -33 5 24.97 2.26 1 -33 5 19.93 1.81 -1 -33 5 18.67 1.91 1 -33 -5 17.01 1.81 -1 -33 5 20.59 1.63 1 -33 5 18.94 1.92 1 -33 -5 18.81 2.16 2 -33 0 9.96 1.43 2 -33 0 11.39 1.63 2 -33 0 8.89 1.20 -2 -33 0 11.08 1.11 2 -33 0 9.84 1.65 -2 -33 0 12.79 1.46 -2 -33 0 10.58 1.41 2 -33 -1 3.69 1.48 2 -33 1 4.36 1.42 2 -33 -1 4.01 1.57 2 -33 1 3.50 1.38 -2 -33 1 3.38 1.18 2 -33 -1 1.70 1.06 -2 -33 -1 3.33 1.29 2 -33 1 2.11 0.95 -2 -33 -1 2.15 1.27 2 -33 1 2.54 1.17 -2 -33 -1 4.06 1.08 -2 -33 -1 2.51 0.99 2 -33 -1 3.66 1.25 -2 -33 1 3.77 1.23 2 -33 -2 7.53 1.26 2 -33 2 8.14 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3.35 1.24 4 -34 -1 4.55 1.69 -4 -34 -1 2.02 1.21 4 -34 1 2.36 1.18 -4 -34 1 0.58 1.08 4 -34 1 2.16 1.63 -4 -34 -2 4.33 1.38 -4 -34 2 2.49 1.05 4 -34 2 5.84 1.34 4 -34 -2 3.16 1.36 4 -34 -2 2.88 1.73 4 -34 2 4.12 1.25 4 -34 2 3.36 1.65 -4 -34 2 4.29 1.01 -4 -34 -2 5.54 1.33 4 -34 2 5.82 1.59 4 -34 -2 4.75 1.77 -4 -34 -3 5.22 1.40 4 -34 3 6.91 1.68 4 -34 -3 4.88 1.36 -4 -34 -3 4.46 1.52 4 -34 -3 4.35 1.83 4 -34 3 6.79 1.73 -4 -34 3 2.70 1.08 -4 -34 3 5.77 1.05 4 -34 3 4.62 1.30 4 -34 -3 3.01 1.82 -4 -34 -3 4.03 1.12 5 -34 0 24.70 2.22 5 -34 0 27.59 2.30 5 -34 0 27.06 2.69 5 -34 0 29.25 2.67 -5 -34 0 25.54 2.00 -5 -34 0 27.32 2.00 5 -34 -1 5.45 1.39 5 -34 1 6.85 1.81 -5 -34 -1 4.55 1.16 5 -34 -1 1.29 1.70 5 -34 1 5.41 1.35 5 -34 -1 6.43 1.79 5 -34 1 5.04 1.40 -5 -34 -1 2.70 1.20 5 -34 1 3.74 1.68 5 -34 -2 12.17 2.01 -5 -34 -2 9.59 1.44 5 -34 -2 11.94 1.63 5 -34 2 11.86 1.56 5 -34 -2 13.71 2.05 5 -34 2 13.32 2.00 5 -34 2 10.58 1.84 -5 -34 -2 10.40 1.51 5 -34 3 11.69 1.87 -5 -34 -3 10.24 1.62 5 -34 3 11.29 1.57 5 -34 -3 10.38 2.05 5 -34 3 12.08 1.95 -5 -34 -3 9.48 1.52 5 -34 -3 9.67 2.03 5 -34 -3 7.63 1.56 -5 -34 -3 9.78 1.16 6 -34 0 -0.93 1.72 6 -34 0 1.15 1.69 6 -34 0 0.77 1.33 6 -34 -1 4.17 1.87 6 -34 -1 7.73 1.52 6 -34 1 9.52 1.85 -6 34 1 5.51 2.00 6 -34 1 6.59 1.91 6 -34 1 6.58 1.45 -6 -34 -1 5.49 1.12 6 -34 -1 9.18 1.88 -6 -34 -1 6.68 1.20 6 -34 -2 0.68 1.39 -6 34 2 -1.08 1.87 6 -34 -2 -0.24 1.78 6 -34 2 1.48 1.68 6 -34 -2 2.42 1.86 -6 -34 -2 1.58 1.18 6 -34 2 1.78 1.80 6 -34 2 -0.39 1.33 -6 34 2 0.13 1.85 -6 -34 -2 1.82 1.26 7 -34 0 2.30 1.78 -7 34 0 -0.39 1.80 7 -34 0 -0.31 1.84 7 -34 0 -1.70 1.34 -7 34 0 -1.32 1.89 7 -34 1 1.78 1.94 7 -34 -1 3.45 1.47 -7 34 1 0.28 1.91 7 -34 1 1.42 1.77 -7 34 1 3.02 1.89 7 -34 -1 3.11 1.85 7 -34 1 0.82 1.39 7 -34 -1 2.79 1.86 0 -35 0 1.82 1.11 0 -35 0 1.57 1.26 0 -35 0 -0.49 1.38 0 -35 1 3.53 1.23 0 -35 1 5.97 1.44 0 -35 -1 6.38 1.39 0 -35 -1 5.17 1.54 0 -35 1 4.41 1.10 0 -35 -1 4.49 1.22 0 -35 -2 -1.49 1.16 0 -35 2 1.36 1.02 0 -35 -2 0.85 1.39 0 -35 2 0.64 1.32 0 -35 -2 1.28 1.49 0 -35 2 2.57 1.15 0 -35 2 0.94 1.42 0 -35 -3 37.17 2.79 0 -35 3 34.02 2.77 0 -35 3 38.61 2.41 0 -35 -3 40.07 2.99 -1 -35 0 3.98 1.37 -1 -35 0 5.35 1.15 1 -35 0 4.49 1.53 1 -35 0 5.07 1.25 1 -35 0 4.15 1.42 -1 -35 0 3.49 1.42 -1 -35 0 6.54 1.10 1 -35 1 33.81 2.40 1 -35 1 29.50 2.57 -1 -35 -1 31.60 2.17 -1 -35 -1 32.65 2.25 -1 -35 1 28.78 2.44 1 -35 -1 31.23 2.62 1 -35 -1 27.20 2.48 -1 -35 1 29.87 2.48 1 -35 -1 30.48 2.34 1 -35 1 30.32 2.22 -1 -35 1 31.21 2.05 -1 -35 -1 31.67 2.51 -1 -35 -2 25.18 2.13 1 -35 2 23.09 2.31 -1 -35 2 27.19 1.78 -1 -35 2 22.53 2.29 1 -35 2 23.51 2.16 -1 -35 -2 20.19 2.13 -1 -35 2 25.38 2.23 1 -35 -2 26.38 2.20 1 -35 -2 24.55 2.25 -1 -35 -2 24.30 2.00 1 -35 2 25.21 1.97 1 -35 -2 25.54 2.18 -1 -35 -3 8.50 1.71 1 -35 3 7.52 1.29 1 -35 3 8.45 1.54 -1 -35 -3 7.72 1.58 1 -35 -3 7.69 1.82 1 -35 -3 6.94 1.22 -1 -35 3 8.51 1.43 1 -35 3 7.69 1.43 -1 -35 3 4.84 1.49 1 -35 -3 6.88 1.72 2 -35 0 0.78 1.46 -2 -35 0 0.81 1.23 -2 -35 0 1.31 1.29 -2 -35 0 -0.07 0.85 2 -35 0 -1.00 1.49 2 -35 0 1.11 1.23 2 -35 1 7.39 1.32 2 -35 -1 7.91 1.70 2 -35 1 6.39 1.61 2 -35 -1 7.37 1.40 2 -35 1 6.15 1.51 -2 -35 1 3.26 1.28 -2 -35 -1 6.26 1.44 -2 -35 1 3.72 1.33 2 -35 -1 5.49 1.10 -2 -35 -1 5.01 1.40 2 -35 -1 5.90 1.60 -2 -35 -1 5.14 1.07 -2 -35 2 7.07 1.32 -2 -35 -2 6.80 1.30 2 -35 2 7.29 1.62 -2 -35 -2 8.80 1.25 2 -35 -2 9.04 1.71 2 -35 2 11.93 1.40 2 -35 -2 7.10 1.24 -2 -35 -2 5.36 1.52 -2 -35 2 7.08 1.41 2 -35 2 8.56 1.57 2 -35 -2 8.26 1.80 2 -35 3 5.45 1.56 -2 -35 -3 5.09 1.63 -2 -35 -3 3.76 1.43 2 -35 -3 5.83 1.76 -2 -35 3 5.67 1.36 2 -35 3 5.43 1.57 2 -35 -3 3.30 1.25 2 -35 -3 7.63 1.79 -2 -35 3 4.76 1.26 3 -35 0 0.30 1.53 3 -35 0 1.68 1.27 -3 -35 0 -0.73 1.20 3 -35 0 1.27 1.62 3 -35 0 -0.11 1.06 -3 -35 0 1.51 1.19 3 -35 1 2.85 1.58 -3 -35 1 5.10 1.17 3 -35 1 3.34 1.30 3 -35 1 2.67 1.07 3 -35 -1 3.54 1.64 -3 -35 -1 1.04 1.28 3 -35 1 3.45 1.57 3 -35 -1 4.46 1.19 -3 -35 1 2.71 1.23 -3 -35 -1 4.56 1.31 3 -35 -1 4.18 1.63 3 -35 2 6.38 1.62 -3 -35 -2 1.49 1.01 3 -35 -2 2.94 1.70 -3 -35 -2 3.15 1.39 -3 -35 -2 2.81 1.40 3 -35 -2 2.83 1.25 -3 -35 2 5.27 1.18 3 -35 -2 4.45 1.75 3 -35 2 4.57 1.64 -3 -35 2 2.69 1.20 3 -35 -3 3.64 1.79 -3 -35 -3 3.25 1.18 3 -35 -3 0.85 1.28 -3 -35 -3 3.06 1.29 3 -35 3 3.83 1.68 -3 -35 3 4.67 1.18 -3 -35 -3 3.26 1.54 -3 -35 3 1.64 1.21 3 -35 -3 2.70 1.78 3 -35 3 4.88 1.59 4 -35 0 1.03 1.63 -4 -35 0 0.84 1.14 4 -35 0 1.00 1.60 -4 -35 0 0.16 1.12 4 -35 0 1.88 1.21 -4 -35 -1 17.26 1.66 4 -35 -1 18.04 2.10 -4 -35 -1 17.20 1.66 4 -35 1 19.26 2.09 -4 -35 1 17.66 1.70 4 -35 1 21.41 2.08 4 -35 -1 16.38 1.70 -4 -35 1 17.42 1.76 4 -35 -1 19.55 2.14 4 -35 1 17.98 1.68 -4 -35 2 6.38 1.17 4 -35 -2 5.76 1.42 4 -35 -2 6.92 1.90 4 -35 -2 9.36 1.91 4 -35 2 5.05 1.79 -4 -35 -2 10.04 1.46 4 -35 2 7.73 1.73 4 -35 2 8.31 1.33 -4 -35 2 7.23 1.12 -4 -35 -2 7.64 1.49 5 -35 0 13.49 1.98 5 -35 0 12.30 2.02 -5 -35 0 12.52 1.30 5 -35 0 10.93 1.57 -5 -35 0 13.92 1.32 5 -35 1 5.43 1.79 -5 -35 -1 4.35 1.25 -5 -35 -1 5.79 1.23 5 -35 -1 3.77 1.79 5 -35 -1 6.12 1.41 5 -35 -1 6.68 1.86 5 -35 1 4.35 1.36 5 -35 1 9.84 1.89 5 -35 2 7.64 1.81 5 -35 -2 6.90 1.89 5 -35 -2 5.95 1.50 6 -35 0 2.94 1.79 6 -35 0 3.41 1.41 0 -36 0 20.61 1.99 0 -36 0 20.08 1.88 0 -36 0 21.48 2.01 0 -36 1 0.18 1.39 0 -36 1 0.42 1.18 0 -36 -1 0.70 1.34 0 -36 1 -0.49 1.06 0 -36 -1 -0.11 1.48 0 -36 -1 2.05 1.17 0 -36 -2 20.30 2.07 0 -36 2 21.22 1.95 0 -36 2 19.59 1.75 0 -36 -2 21.79 1.95 1 -36 0 11.32 1.60 -1 -36 0 10.31 1.56 1 -36 0 8.51 1.40 1 -36 0 10.67 1.72 -1 -36 0 9.88 1.21 -1 -36 0 9.90 1.59 -1 -36 1 1.39 1.41 1 -36 1 2.06 1.17 -1 -36 -1 2.45 1.43 1 -36 1 3.26 1.36 1 -36 -1 2.74 1.48 -1 -36 -1 3.15 1.13 1 -36 1 2.12 1.48 -1 -36 -1 1.54 1.19 -1 -36 1 0.66 0.95 -1 -36 1 3.84 1.39 1 -36 -1 6.11 1.59 -1 -36 2 7.44 1.49 1 -36 2 6.93 1.57 1 -36 2 8.23 1.39 -1 -36 -2 4.94 1.62 -1 -36 2 7.48 1.43 -1 -36 2 5.92 0.98 1 -36 2 3.72 1.20 1 -36 -2 7.26 1.63 1 -36 -2 4.39 1.67 -1 -36 -2 5.76 1.41 2 -36 0 0.95 1.48 -2 -36 0 -0.37 1.31 -2 -36 0 2.01 1.31 2 -36 0 -1.15 1.55 2 -36 -1 1.52 1.56 -2 -36 1 0.90 1.31 -2 -36 1 1.08 1.24 2 -36 1 1.31 1.45 2 -36 -1 1.41 1.65 -2 -36 -1 0.80 0.97 -2 -36 -1 3.12 1.42 -2 -36 -1 0.54 1.35 2 -36 1 0.16 1.55 -2 -36 -2 0.34 1.44 2 -36 2 1.30 1.52 -2 -36 -2 0.80 1.21 2 -36 -2 -0.85 1.61 2 -36 -2 1.04 1.08 2 -36 -2 1.59 1.70 2 -36 2 1.36 1.44 -2 -36 2 -0.56 1.23 -3 -36 0 10.07 1.41 -3 -36 0 8.53 1.43 3 -36 0 11.55 1.80 3 -36 0 8.89 1.27 3 -36 0 7.95 1.79 3 -36 -1 10.86 1.89 -3 -36 1 7.83 1.29 -3 -36 1 9.01 1.41 3 -36 1 9.91 1.70 3 -36 1 7.97 1.79 -3 -36 -1 9.98 1.48 3 -36 -1 9.81 1.80 3 -36 -1 9.79 1.31 -3 -36 -1 7.38 1.45 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 41449 # start Validation Reply Form _vrf_PLAT213_NILOO31JULY ; PROBLEM: Atom C21 has ADP max/min Ratio ..... 8.8 prolat RESPONSE: This atom part of a disordered t-Bu group of the ligand. ; _vrf_PLAT222_NILOO31JULY ; PROBLEM: Large Non-Solvent H Uiso(max)/Uiso(min) .. 10.0 Ratio RESPONSE: These errors are due to the natural oscillation movement of the tert-butyl group creating disorder. ; _vrf_PLAT234_NILOO31JULY ; PROBLEM: Large Hirshfeld Difference C18 -- C20 .. 0.35 Ang. RESPONSE: Disordered tBu groups. ; _vrf_PLAT417_NILOO31JULY ; PROBLEM: Short Inter D-H..H-D H8A .. H12 .. 1.66 Ang. RESPONSE:H-atoms were introduced in calculated positions and refined on a riding model. H8A to H12 are protons attached to solvent molecules. ; # end Validation Reply Form _database_code_depnum_ccdc_archive 'CCDC 969763' ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_mp _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C168 H208 Cl16 Cu8 N56 O16' _chemical_formula_sum 'C168 H208 Cl16 Cu8 N56 O16' _chemical_formula_weight 4343.42 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 21.5918(15) _cell_length_b 24.0051(17) _cell_length_c 27.3864(19) _cell_angle_alpha 83.750(4) _cell_angle_beta 85.664(4) _cell_angle_gamma 69.107(3) _cell_volume 13172.2(16) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 8980 _cell_measurement_theta_min 2.60 _cell_measurement_theta_max 24.55 _exptl_crystal_description plate _exptl_crystal_colour blue _exptl_crystal_size_max 0.70 _exptl_crystal_size_mid 0.40 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.095 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4480 _exptl_absorpt_coefficient_mu 0.850 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.590 _exptl_absorpt_correction_T_max 0.920 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker APEX2 CCD diffractometer' _diffrn_measurement_method 'thin-slice \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 175202 _diffrn_reflns_av_R_equivalents 0.0475 _diffrn_reflns_av_sigmaI/netI 0.0534 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 2.38 _diffrn_reflns_theta_max 24.77 _reflns_number_total 42801 _reflns_number_gt 28891 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker APEX2' _computing_data_reduction 'Bruker APEX2' _computing_structure_solution 'Bruker SHELXTL' _computing_structure_refinement 'Bruker SHELXTL' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL and local programs' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. Structure refinement revealed disorder in the majority of the t-butyl groups which were refined using two components with appropriate geometric and thermal restraints for those groups where the disorder was more than 10%. One chloroform molecule could be refined satisfactorily, albeit disordered over two sites. A second possible partial-occupancy chloroform molecule was less well behaved and may or may not be genuine (could appear to be this as a result of disorder of other solvent molecules). We could identify 6 likely methanol molecules and an uncertain number of water molecules; the methanol molecules are probably somewhat disordered, and most of the water molecules certainly so. All attempts to refine them were less than acceptable, leading to large and distorted ellipsoids, poor C-O bond lengths, and significant residual electron density peaks nearby. Various models were examined with different amounts of modelled solvent, and squeeze applied to each one. The best result was achieved from including only the one disordered chloroform molecule in the model and 'Squeezing' the remaining solvent. This provided a final R-factor at least 1% lower than any other model and therefore chosen as the best model.The solvent content is reported on the basis of microanalysis data rather than crystallographic estimates. In the CIF file we have included only the chemical formula of the cluster itself, and none of the solvent, which accounts for some of the alerts from Checkcif. We decided it made more sense better to do this than to include some of the solvent and omit other components that obviously are present but not crystallographically modelled. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1279P)^2^+12.7000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 42801 _refine_ls_number_parameters 2739 _refine_ls_number_restraints 12042 _refine_ls_R_factor_all 0.1050 _refine_ls_R_factor_gt 0.0749 _refine_ls_wR_factor_ref 0.2277 _refine_ls_wR_factor_gt 0.2084 _refine_ls_goodness_of_fit_ref 1.128 _refine_ls_restrained_S_all 1.183 _refine_ls_shift/su_max 0.009 _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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Cu1 Cu 0.24274(4) -0.20018(3) 0.13022(3) 0.0487(2) Uani 1 1 d . . . Cu2 Cu 0.41499(4) -0.23031(3) 0.36622(3) 0.0444(2) Uani 1 1 d . . . Cu3 Cu 0.16937(3) 0.02290(3) 0.56649(2) 0.04101(19) Uani 1 1 d . . . Cu4 Cu 0.11967(3) 0.33987(3) 0.46488(2) 0.03800(18) Uani 1 1 d . . . Cu5 Cu 0.50447(3) 0.36161(3) 0.36708(2) 0.03614(17) Uani 1 1 d . . . Cu6 Cu 0.61572(4) 0.21851(3) 0.12878(3) 0.0443(2) Uani 1 1 d . . . Cu7 Cu 0.27838(4) 0.31883(4) -0.05848(3) 0.0572(2) Uani 1 1 d . . . Cu8 Cu 0.03697(4) 0.17274(3) 0.04084(2) 0.04203(19) Uani 1 1 d . . . Cl1 Cl 0.18931(8) -0.19865(6) 0.21110(6) 0.0479(4) Uani 1 1 d . . . Cl2 Cl 0.23621(9) -0.24956(7) 0.06558(7) 0.0616(5) Uani 1 1 d . . . Cl3 Cl 0.47539(10) -0.30076(7) 0.42246(7) 0.0646(5) Uani 1 1 d . . . Cl4 Cl 0.46592(7) -0.24109(6) 0.28350(5) 0.0462(4) Uani 1 1 d . . . Cl5 Cl 0.24240(7) 0.07824(6) 0.57731(5) 0.0393(3) Uani 1 1 d . . . Cl6 Cl 0.14095(9) -0.03308(8) 0.63023(6) 0.0628(5) Uani 1 1 d . . . Cl7 Cl 0.04234(7) 0.28639(6) 0.46255(5) 0.0396(3) Uani 1 1 d . . . Cl8 Cl 0.08051(11) 0.43529(7) 0.48478(6) 0.0720(6) Uani 1 1 d . . . Cl9 Cl 0.47173(7) 0.40707(6) 0.28735(5) 0.0429(3) Uani 1 1 d . . . Cl10 Cl 0.53730(10) 0.39269(13) 0.43160(10) 0.1082(10) Uani 1 1 d . . . Cl11 Cl 0.65858(7) 0.17703(7) 0.20804(5) 0.0452(3) Uani 1 1 d . . . Cl12 Cl 0.67619(11) 0.21622(8) 0.05793(8) 0.0840(7) Uani 1 1 d . . . Cl13 Cl 0.28944(9) 0.21609(9) -0.07568(5) 0.0641(5) Uani 1 1 d . . . Cl14 Cl 0.28895(13) 0.39778(14) -0.10586(11) 0.1214(11) Uani 1 1 d . . . Cl15 Cl -0.05061(11) 0.15143(12) 0.01902(7) 0.0840(7) Uani 1 1 d . . . Cl16 Cl 0.02367(7) 0.27534(6) 0.04932(5) 0.0441(3) Uani 1 1 d . . . O101 O 0.30355(19) -0.14633(15) 0.13197(14) 0.0366(9) Uani 1 1 d U . . O102 O 0.42160(19) -0.00782(16) 0.29681(13) 0.0382(9) Uani 1 1 d U . . O103 O 0.42564(19) 0.17799(16) 0.08924(14) 0.0395(9) Uani 1 1 d U B . O104 O 0.13826(18) 0.12766(15) 0.05520(12) 0.0343(8) Uani 1 1 d U B . N101 N 0.3335(3) -0.3232(2) 0.1596(2) 0.0622(16) Uani 1 1 d U . . H101 H 0.3122 -0.3396 0.1441 0.075 Uiso 1 1 calc R . . N102 N 0.3213(3) -0.26341(19) 0.1572(2) 0.0518(14) Uani 1 1 d U . . N103 N 0.3670(2) -0.20174(18) 0.19450(17) 0.0360(10) Uani 1 1 d U . . H103 H 0.3885 -0.2002 0.2192 0.043 Uiso 1 1 calc R . . N104 N 0.3775(2) -0.09861(17) 0.22219(15) 0.0287(9) Uani 1 1 d U . . N105 N 0.4337(2) -0.10668(19) 0.30672(15) 0.0346(10) Uani 1 1 d U . . H105 H 0.4283 -0.1346 0.2922 0.041 Uiso 1 1 calc R . . N106 N 0.4565(2) -0.17169(19) 0.37893(16) 0.0387(11) Uani 1 1 d U . . N107 N 0.4871(2) -0.1750(2) 0.42176(17) 0.0431(12) Uani 1 1 d U . . H107 H 0.4916 -0.2028 0.4453 0.052 Uiso 1 1 calc R . . N108 N 0.4086(3) 0.3263(3) -0.0463(2) 0.079(2) Uani 1 1 d U B . H108 H 0.4005 0.3555 -0.0689 0.094 Uiso 1 1 calc R . . N109 N 0.3706(3) 0.2914(3) -0.0369(2) 0.0555(14) Uani 1 1 d U B . N110 N 0.3736(2) 0.2088(2) 0.01698(17) 0.0443(12) Uani 1 1 d U B . H110 H 0.3469 0.2021 -0.0015 0.053 Uiso 1 1 calc R . . N111 N 0.2896(2) 0.15244(18) 0.04731(14) 0.0304(10) Uani 1 1 d U . . N112 N 0.1831(2) 0.16557(19) -0.01167(15) 0.0369(11) Uani 1 1 d U B . H112 H 0.2143 0.1788 -0.0220 0.044 Uiso 1 1 calc R . . N113 N 0.0733(3) 0.1756(2) -0.02709(17) 0.0457(12) Uani 1 1 d U B . N114 N 0.0387(3) 0.1777(2) -0.06697(18) 0.0546(14) Uani 1 1 d U B . H114 H -0.0022 0.1805 -0.0660 0.066 Uiso 1 1 calc R . . C101 C 0.3493(4) -0.4362(4) 0.2295(4) 0.114(4) Uani 1 1 d DU . . H10A H 0.3370 -0.4155 0.2588 0.171 Uiso 1 1 calc R . . H10B H 0.3630 -0.4786 0.2381 0.171 Uiso 1 1 calc R . . H10C H 0.3119 -0.4238 0.2088 0.171 Uiso 1 1 calc R . . C102 C 0.4654(4) -0.4392(3) 0.2354(4) 0.095(3) Uani 1 1 d DU . . H10D H 0.5014 -0.4304 0.2178 0.142 Uiso 1 1 calc R . . H10E H 0.4792 -0.4813 0.2453 0.142 Uiso 1 1 calc R . . H10F H 0.4526 -0.4171 0.2639 0.142 Uiso 1 1 calc R . . C103 C 0.4293(6) -0.4523(3) 0.1553(4) 0.121(4) Uani 1 1 d DU . . H10G H 0.4654 -0.4416 0.1398 0.182 Uiso 1 1 calc R . . H10H H 0.3932 -0.4401 0.1333 0.182 Uiso 1 1 calc R . . H10I H 0.4438 -0.4949 0.1629 0.182 Uiso 1 1 calc R . . C104 C 0.4063(4) -0.4214(3) 0.2021(3) 0.078(2) Uani 1 1 d DU . . C105 C 0.3839(3) -0.3536(2) 0.1897(3) 0.0615(19) Uani 1 1 d DU . . C106 C 0.4037(3) -0.3123(2) 0.2075(3) 0.0525(16) Uani 1 1 d U . . H106 H 0.4369 -0.3197 0.2297 0.063 Uiso 1 1 calc R . . C107 C 0.3648(3) -0.2568(2) 0.1862(2) 0.0398(13) Uani 1 1 d U . . C108 C 0.3376(3) -0.1501(2) 0.1665(2) 0.0336(12) Uani 1 1 d U . . C109 C 0.3481(2) -0.0957(2) 0.18017(18) 0.0281(11) Uani 1 1 d U . . C110 C 0.3267(2) -0.0441(2) 0.14923(18) 0.0288(11) Uani 1 1 d U . . H11A H 0.3051 -0.0433 0.1209 0.035 Uiso 1 1 calc R . . C111 C 0.3372(2) 0.0070(2) 0.16011(17) 0.0260(11) Uani 1 1 d U . . C112 C 0.3679(2) 0.0042(2) 0.20288(17) 0.0279(11) Uani 1 1 d U . . H11B H 0.3766 0.0371 0.2112 0.034 Uiso 1 1 calc R . . C113 C 0.3860(2) -0.0492(2) 0.23369(17) 0.0277(11) Uani 1 1 d U . . C114 C 0.4158(2) -0.0517(2) 0.28215(18) 0.0293(11) Uani 1 1 d U . . C115 C 0.4600(3) -0.1225(2) 0.35324(19) 0.0356(12) Uani 1 1 d U . . C116 C 0.4924(3) -0.0950(2) 0.37902(19) 0.0381(13) Uani 1 1 d U . . H116 H 0.5010 -0.0601 0.3690 0.046 Uiso 1 1 calc R . . C117 C 0.5089(3) -0.1301(3) 0.42246(19) 0.0435(14) Uani 1 1 d DU A . C118 C 0.5454(3) -0.1239(3) 0.4653(2) 0.0564(17) Uani 1 1 d DU . . C119 C 0.6050(7) -0.1798(6) 0.4762(6) 0.104(6) Uani 0.605(11) 1 d PDU A 1 H11C H 0.6271 -0.1748 0.5036 0.156 Uiso 0.605(11) 1 calc PR A 1 H11D H 0.6349 -0.1867 0.4479 0.156 Uiso 0.605(11) 1 calc PR A 1 H11E H 0.5907 -0.2134 0.4840 0.156 Uiso 0.605(11) 1 calc PR A 1 C120 C 0.4982(6) -0.1060(7) 0.5097(4) 0.083(4) Uani 0.605(11) 1 d PDU A 1 H12A H 0.5224 -0.1028 0.5367 0.124 Uiso 0.605(11) 1 calc PR A 1 H12B H 0.4783 -0.1357 0.5189 0.124 Uiso 0.605(11) 1 calc PR A 1 H12C H 0.4641 -0.0680 0.5016 0.124 Uiso 0.605(11) 1 calc PR A 1 C121 C 0.5742(7) -0.0723(6) 0.4524(5) 0.085(4) Uani 0.605(11) 1 d PDU A 1 H12D H 0.5975 -0.0692 0.4799 0.128 Uiso 0.605(11) 1 calc PR A 1 H12E H 0.5384 -0.0351 0.4454 0.128 Uiso 0.605(11) 1 calc PR A 1 H12F H 0.6041 -0.0810 0.4242 0.128 Uiso 0.605(11) 1 calc PR A 1 C169 C 0.5084(10) -0.0650(6) 0.4847(6) 0.073(5) Uani 0.395(11) 1 d PDU A 2 H16A H 0.5312 -0.0602 0.5118 0.109 Uiso 0.395(11) 1 calc PR A 2 H16B H 0.4645 -0.0633 0.4956 0.109 Uiso 0.395(11) 1 calc PR A 2 H16C H 0.5056 -0.0335 0.4592 0.109 Uiso 0.395(11) 1 calc PR A 2 C170 C 0.6166(6) -0.1334(10) 0.4470(6) 0.069(5) Uani 0.395(11) 1 d PDU A 2 H17A H 0.6414 -0.1298 0.4734 0.104 Uiso 0.395(11) 1 calc PR A 2 H17B H 0.6167 -0.1038 0.4205 0.104 Uiso 0.395(11) 1 calc PR A 2 H17C H 0.6366 -0.1726 0.4357 0.104 Uiso 0.395(11) 1 calc PR A 2 C171 C 0.5473(9) -0.1765(7) 0.5045(5) 0.059(5) Uani 0.395(11) 1 d PDU A 2 H17D H 0.5707 -0.1745 0.5324 0.088 Uiso 0.395(11) 1 calc PR A 2 H17E H 0.5695 -0.2139 0.4906 0.088 Uiso 0.395(11) 1 calc PR A 2 H17F H 0.5028 -0.1734 0.5148 0.088 Uiso 0.395(11) 1 calc PR A 2 C122 C 0.4702(6) 0.4121(5) -0.0361(6) 0.105(4) Uani 0.725(11) 1 d PDU B 1 H12G H 0.5003 0.4335 -0.0366 0.158 Uiso 0.725(11) 1 calc PR B 1 H12H H 0.4315 0.4310 -0.0160 0.158 Uiso 0.725(11) 1 calc PR B 1 H12I H 0.4575 0.4124 -0.0690 0.158 Uiso 0.725(11) 1 calc PR B 1 C123 C 0.5634(6) 0.3183(6) -0.0491(5) 0.110(4) Uani 0.725(11) 1 d PDU B 1 H12J H 0.5940 0.3393 -0.0502 0.165 Uiso 0.725(11) 1 calc PR B 1 H12K H 0.5485 0.3200 -0.0815 0.165 Uiso 0.725(11) 1 calc PR B 1 H12L H 0.5852 0.2773 -0.0371 0.165 Uiso 0.725(11) 1 calc PR B 1 C124 C 0.5248(7) 0.3489(6) 0.0365(5) 0.102(4) Uani 0.725(11) 1 d PDU B 1 H12M H 0.5545 0.3707 0.0350 0.153 Uiso 0.725(11) 1 calc PR B 1 H12N H 0.5466 0.3087 0.0505 0.153 Uiso 0.725(11) 1 calc PR B 1 H12O H 0.4861 0.3681 0.0565 0.153 Uiso 0.725(11) 1 calc PR B 1 C125 C 0.5043(6) 0.3473(5) -0.0150(4) 0.096(3) Uani 0.725(11) 1 d PDU B 1 C172 C 0.5785(12) 0.2700(13) -0.0553(12) 0.108(7) Uani 0.275(11) 1 d PDU B 2 H17G H 0.6176 0.2804 -0.0609 0.162 Uiso 0.275(11) 1 calc PR B 2 H17H H 0.5678 0.2588 -0.0853 0.162 Uiso 0.275(11) 1 calc PR B 2 H17I H 0.5865 0.2370 -0.0305 0.162 Uiso 0.275(11) 1 calc PR B 2 C173 C 0.5415(16) 0.3472(15) 0.0053(11) 0.106(5) Uani 0.275(11) 1 d PDU B 2 H17J H 0.5778 0.3605 -0.0050 0.159 Uiso 0.275(11) 1 calc PR B 2 H17K H 0.5551 0.3157 0.0313 0.159 Uiso 0.275(11) 1 calc PR B 2 H17L H 0.5048 0.3800 0.0168 0.159 Uiso 0.275(11) 1 calc PR B 2 C174 C 0.5051(14) 0.3721(14) -0.0810(12) 0.110(6) Uani 0.275(11) 1 d PDU B 2 H17M H 0.5403 0.3880 -0.0861 0.164 Uiso 0.275(11) 1 calc PR B 2 H17N H 0.4642 0.4036 -0.0737 0.164 Uiso 0.275(11) 1 calc PR B 2 H17O H 0.5009 0.3552 -0.1102 0.164 Uiso 0.275(11) 1 calc PR B 2 C175 C 0.5208(9) 0.3237(11) -0.0382(9) 0.100(5) Uani 0.275(11) 1 d PDU B 2 C126 C 0.4594(4) 0.3106(4) -0.0172(3) 0.098(3) Uani 1 1 d DU . . C127 C 0.4559(4) 0.2601(4) 0.0127(3) 0.080(3) Uani 1 1 d U B . H127 H 0.4850 0.2375 0.0368 0.096 Uiso 1 1 calc R . . C128 C 0.4011(3) 0.2514(3) -0.0010(2) 0.0492(16) Uani 1 1 d U . . C129 C 0.3854(3) 0.1769(2) 0.0612(2) 0.0332(12) Uani 1 1 d U . . C130 C 0.3425(2) 0.1392(2) 0.07402(18) 0.0274(11) Uani 1 1 d U B . C131 C 0.3591(2) 0.0944(2) 0.11184(17) 0.0275(11) Uani 1 1 d U . . H131 H 0.3969 0.0869 0.1294 0.033 Uiso 1 1 calc R B . C132 C 0.3190(2) 0.0605(2) 0.12356(17) 0.0258(11) Uani 1 1 d U B . C133 C 0.2609(3) 0.0769(2) 0.09826(18) 0.0293(11) Uani 1 1 d U . . H133 H 0.2309 0.0573 0.1066 0.035 Uiso 1 1 calc R B . C134 C 0.2475(3) 0.1224(2) 0.06059(17) 0.0287(11) Uani 1 1 d U B . C135 C 0.1856(3) 0.1395(2) 0.03412(18) 0.0339(12) Uani 1 1 d U . . C136 C 0.1328(3) 0.1727(2) -0.0440(2) 0.0408(13) Uani 1 1 d U . . C137 C 0.1375(3) 0.1722(3) -0.0948(2) 0.0488(15) Uani 1 1 d U B . H137 H 0.1745 0.1702 -0.1152 0.059 Uiso 1 1 calc R . . C138 C 0.0775(3) 0.1749(3) -0.1087(2) 0.0526(16) Uani 1 1 d DU . . C139 C 0.0517(4) 0.1698(3) -0.1573(2) 0.0729(19) Uani 1 1 d DU B . C140 C 0.0505(9) 0.1077(5) -0.1578(4) 0.097(4) Uani 0.714(10) 1 d PDU B 1 H14A H 0.0354 0.1036 -0.1888 0.146 Uiso 0.714(10) 1 calc PR B 1 H14B H 0.0210 0.1007 -0.1318 0.146 Uiso 0.714(10) 1 calc PR B 1 H14C H 0.0944 0.0790 -0.1531 0.146 Uiso 0.714(10) 1 calc PR B 1 C141 C 0.1013(7) 0.1789(6) -0.1984(3) 0.095(3) Uani 0.714(10) 1 d PDU B 1 H14D H 0.0864 0.1756 -0.2297 0.143 Uiso 0.714(10) 1 calc PR B 1 H14E H 0.1443 0.1488 -0.1931 0.143 Uiso 0.714(10) 1 calc PR B 1 H14F H 0.1041 0.2178 -0.1978 0.143 Uiso 0.714(10) 1 calc PR B 1 C142 C -0.0154(7) 0.2190(6) -0.1661(5) 0.110(5) Uani 0.714(10) 1 d PDU B 1 H14G H -0.0308 0.2158 -0.1973 0.165 Uiso 0.714(10) 1 calc PR B 1 H14H H -0.0110 0.2574 -0.1661 0.165 Uiso 0.714(10) 1 calc PR B 1 H14I H -0.0468 0.2148 -0.1405 0.165 Uiso 0.714(10) 1 calc PR B 1 C190 C 0.0275(17) 0.2306(8) -0.1855(8) 0.084(5) Uani 0.286(10) 1 d PDU B 2 H19A H 0.0117 0.2273 -0.2165 0.126 Uiso 0.286(10) 1 calc PR B 2 H19B H 0.0633 0.2456 -0.1911 0.126 Uiso 0.286(10) 1 calc PR B 2 H19C H -0.0079 0.2575 -0.1670 0.126 Uiso 0.286(10) 1 calc PR B 2 C191 C -0.0060(13) 0.1463(15) -0.1475(10) 0.097(6) Uani 0.286(10) 1 d PDU B 2 H19D H -0.0220 0.1424 -0.1783 0.145 Uiso 0.286(10) 1 calc PR B 2 H19E H -0.0411 0.1739 -0.1292 0.145 Uiso 0.286(10) 1 calc PR B 2 H19F H 0.0092 0.1079 -0.1290 0.145 Uiso 0.286(10) 1 calc PR B 2 C192 C 0.1091(12) 0.1254(13) -0.1852(9) 0.100(6) Uani 0.286(10) 1 d PDU B 2 H19G H 0.0944 0.1211 -0.2163 0.150 Uiso 0.286(10) 1 calc PR B 2 H19H H 0.1236 0.0873 -0.1662 0.150 Uiso 0.286(10) 1 calc PR B 2 H19I H 0.1452 0.1401 -0.1905 0.150 Uiso 0.286(10) 1 calc PR B 2 O201 O 0.14716(18) 0.04637(15) 0.49200(12) 0.0366(9) Uani 1 1 d U . . O202 O 0.1879(2) 0.23880(16) 0.29357(13) 0.0420(10) Uani 1 1 d U . . O203 O 0.15566(19) 0.03288(15) 0.16347(13) 0.0368(9) Uani 1 1 d U . . O204 O 0.32944(18) -0.15675(15) 0.35278(14) 0.0369(9) Uani 1 1 d U . . N201 N 0.0507(3) 0.1062(2) 0.61525(18) 0.0602(16) Uani 1 1 d U . . H201 H 0.0549 0.0820 0.6414 0.072 Uiso 1 1 calc R . . N202 N 0.0918(2) 0.0945(2) 0.57490(16) 0.0442(12) Uani 1 1 d U . . N203 N 0.0961(2) 0.14642(19) 0.49591(15) 0.0354(11) Uani 1 1 d U . . H203 H 0.0913 0.1812 0.4814 0.043 Uiso 1 1 calc R . . N204 N 0.1442(2) 0.16250(17) 0.40124(14) 0.0283(9) Uani 1 1 d U . . N205 N 0.1304(2) 0.27375(17) 0.36385(15) 0.0314(10) Uani 1 1 d U . . H205 H 0.1113 0.2639 0.3904 0.038 Uiso 1 1 calc R . . N206 N 0.1167(2) 0.36489(18) 0.39375(15) 0.0370(11) Uani 1 1 d U . . N207 N 0.1164(2) 0.41912(19) 0.37515(17) 0.0408(11) Uani 1 1 d U . . H207 H 0.1105 0.4486 0.3924 0.049 Uiso 1 1 calc R . . N208 N 0.1728(3) -0.1126(2) 0.0528(2) 0.0532(14) Uani 1 1 d U . . H208 H 0.1809 -0.1403 0.0333 0.064 Uiso 1 1 calc R . . N209 N 0.1779(3) -0.1236(2) 0.10236(19) 0.0468(12) Uani 1 1 d U . . N210 N 0.1668(2) -0.06541(19) 0.16770(17) 0.0389(11) Uani 1 1 d U . . H210 H 0.1689 -0.0962 0.1876 0.047 Uiso 1 1 calc R . . N211 N 0.2242(2) -0.08195(18) 0.25604(15) 0.0295(9) Uani 1 1 d U . . N212 N 0.2834(2) -0.19718(18) 0.30079(17) 0.0360(11) Uani 1 1 d U . . H212 H 0.2638 -0.1909 0.2735 0.043 Uiso 1 1 calc R . . N213 N 0.3562(3) -0.2734(2) 0.35447(18) 0.0482(13) Uani 1 1 d U . . N214 N 0.3565(4) -0.3295(2) 0.3739(2) 0.0670(17) Uani 1 1 d U . . H214 H 0.3840 -0.3522 0.3951 0.080 Uiso 1 1 calc R . . C201 C -0.0932(7) 0.2445(6) 0.6367(6) 0.125(7) Uani 0.718(15) 1 d PDU C 1 H20A H -0.1282 0.2571 0.6613 0.187 Uiso 0.718(15) 1 calc PR C 1 H20B H -0.1119 0.2491 0.6052 0.187 Uiso 0.718(15) 1 calc PR C 1 H20C H -0.0658 0.2685 0.6358 0.187 Uiso 0.718(15) 1 calc PR C 1 C202 C -0.0236(7) 0.1651(8) 0.6996(4) 0.095(5) Uani 0.718(15) 1 d PDU C 1 H20D H -0.0590 0.1778 0.7239 0.142 Uiso 0.718(15) 1 calc PR C 1 H20E H 0.0068 0.1857 0.7018 0.142 Uiso 0.718(15) 1 calc PR C 1 H20F H -0.0007 0.1228 0.7052 0.142 Uiso 0.718(15) 1 calc PR C 1 C203 C -0.0984(8) 0.1424(9) 0.6493(6) 0.132(6) Uani 0.718(15) 1 d PDU C 1 H20G H -0.1332 0.1551 0.6741 0.198 Uiso 0.718(15) 1 calc PR C 1 H20H H -0.0733 0.1007 0.6562 0.198 Uiso 0.718(15) 1 calc PR C 1 H20I H -0.1175 0.1487 0.6177 0.198 Uiso 0.718(15) 1 calc PR C 1 C251 C -0.0382(19) 0.1321(14) 0.6924(10) 0.128(13) Uani 0.282(15) 1 d PDU C 2 H25A H -0.0726 0.1448 0.7175 0.193 Uiso 0.282(15) 1 calc PR C 2 H25B H 0.0038 0.1265 0.7054 0.193 Uiso 0.282(15) 1 calc PR C 2 H25C H -0.0374 0.0950 0.6817 0.193 Uiso 0.282(15) 1 calc PR C 2 C252 C -0.1190(8) 0.194(2) 0.6278(11) 0.134(10) Uani 0.282(15) 1 d PDU C 2 H25D H -0.1531 0.2063 0.6531 0.201 Uiso 0.282(15) 1 calc PR C 2 H25E H -0.1208 0.1586 0.6151 0.201 Uiso 0.282(15) 1 calc PR C 2 H25F H -0.1258 0.2252 0.6017 0.201 Uiso 0.282(15) 1 calc PR C 2 C253 C -0.045(2) 0.2360(13) 0.6669(14) 0.142(10) Uani 0.282(15) 1 d PDU C 2 H25G H -0.0788 0.2508 0.6922 0.212 Uiso 0.282(15) 1 calc PR C 2 H25H H -0.0514 0.2662 0.6398 0.212 Uiso 0.282(15) 1 calc PR C 2 H25I H -0.0023 0.2262 0.6797 0.212 Uiso 0.282(15) 1 calc PR C 2 C204 C -0.0517(4) 0.1795(4) 0.6490(3) 0.100(3) Uani 1 1 d DU . . C205 C 0.0034(3) 0.1593(3) 0.6098(2) 0.067(2) Uani 1 1 d DU C . C206 C 0.0125(3) 0.1852(3) 0.5641(2) 0.061(2) Uani 1 1 d U . . H206 H -0.0127 0.2228 0.5500 0.073 Uiso 1 1 calc R C . C207 C 0.0683(3) 0.1425(2) 0.54323(19) 0.0403(14) Uani 1 1 d U C . C208 C 0.1303(2) 0.0978(2) 0.47219(18) 0.0320(12) Uani 1 1 d U . . C209 C 0.1492(2) 0.1074(2) 0.41870(17) 0.0294(11) Uani 1 1 d U . . C210 C 0.1717(2) 0.0583(2) 0.39199(18) 0.0309(12) Uani 1 1 d U . . H21A H 0.1763 0.0205 0.4072 0.037 Uiso 1 1 calc R . . C211 C 0.1878(2) 0.0654(2) 0.34184(17) 0.0259(11) Uani 1 1 d U . . C212 C 0.1854(2) 0.1230(2) 0.32316(17) 0.0263(11) Uani 1 1 d U . . H21B H 0.1982 0.1301 0.2906 0.032 Uiso 1 1 calc R . . C213 C 0.1637(2) 0.1694(2) 0.35401(17) 0.0272(11) Uani 1 1 d U . . C214 C 0.1617(2) 0.2304(2) 0.33348(17) 0.0282(11) Uani 1 1 d U . . C215 C 0.1269(3) 0.3328(2) 0.35537(18) 0.0315(12) Uani 1 1 d U . . C216 C 0.1328(3) 0.3666(2) 0.31190(19) 0.0353(13) Uani 1 1 d U . . H216 H 0.1394 0.3546 0.2802 0.042 Uiso 1 1 calc R . . C217 C 0.1266(3) 0.4213(2) 0.3261(2) 0.0367(13) Uani 1 1 d DU D . C218 C 0.1309(3) 0.4769(2) 0.2959(2) 0.0540(16) Uani 1 1 d DU . . C219 C 0.0624(7) 0.5267(5) 0.2941(5) 0.086(5) Uani 0.541(11) 1 d PDU D 1 H21C H 0.0316 0.5127 0.2804 0.129 Uiso 0.541(11) 1 calc PR D 1 H21D H 0.0656 0.5610 0.2740 0.129 Uiso 0.541(11) 1 calc PR D 1 H21E H 0.0473 0.5376 0.3268 0.129 Uiso 0.541(11) 1 calc PR D 1 C220 C 0.1458(9) 0.4612(6) 0.2414(4) 0.084(5) Uani 0.541(11) 1 d PDU D 1 H22A H 0.1115 0.4489 0.2310 0.126 Uiso 0.541(11) 1 calc PR D 1 H22B H 0.1878 0.4292 0.2388 0.126 Uiso 0.541(11) 1 calc PR D 1 H22C H 0.1473 0.4958 0.2208 0.126 Uiso 0.541(11) 1 calc PR D 1 C221 C 0.1816(9) 0.4960(8) 0.3160(7) 0.109(6) Uani 0.541(11) 1 d PDU D 1 H22D H 0.1841 0.5311 0.2968 0.164 Uiso 0.541(11) 1 calc PR D 1 H22E H 0.2240 0.4644 0.3147 0.164 Uiso 0.541(11) 1 calc PR D 1 H22F H 0.1693 0.5048 0.3495 0.164 Uiso 0.541(11) 1 calc PR D 1 C269 C 0.2050(5) 0.4645(6) 0.2813(6) 0.058(4) Uani 0.459(11) 1 d PDU D 2 H26A H 0.2095 0.4987 0.2618 0.086 Uiso 0.459(11) 1 calc PR D 2 H26B H 0.2217 0.4302 0.2626 0.086 Uiso 0.459(11) 1 calc PR D 2 H26C H 0.2299 0.4569 0.3105 0.086 Uiso 0.459(11) 1 calc PR D 2 C270 C 0.1106(10) 0.5289(5) 0.3297(6) 0.088(6) Uani 0.459(11) 1 d PDU D 2 H27A H 0.1136 0.5643 0.3111 0.131 Uiso 0.459(11) 1 calc PR D 2 H27B H 0.1399 0.5181 0.3566 0.131 Uiso 0.459(11) 1 calc PR D 2 H27C H 0.0659 0.5366 0.3422 0.131 Uiso 0.459(11) 1 calc PR D 2 C271 C 0.0854(11) 0.4943(10) 0.2540(7) 0.109(7) Uani 0.459(11) 1 d PDU D 2 H27D H 0.0896 0.5290 0.2351 0.163 Uiso 0.459(11) 1 calc PR D 2 H27E H 0.0405 0.5033 0.2665 0.163 Uiso 0.459(11) 1 calc PR D 2 H27F H 0.0970 0.4618 0.2334 0.163 Uiso 0.459(11) 1 calc PR D 2 C222 C 0.1798(4) -0.0817(3) -0.0495(2) 0.0618(18) Uani 1 1 d DU . . H22G H 0.1751 -0.0656 -0.0832 0.093 Uiso 1 1 calc R . . H22H H 0.1578 -0.1104 -0.0433 0.093 Uiso 1 1 calc R . . H22I H 0.2260 -0.1011 -0.0430 0.093 Uiso 1 1 calc R . . C223 C 0.1827(6) 0.0144(4) -0.0254(3) 0.112(4) Uani 1 1 d DU . . H22J H 0.1797 0.0296 -0.0594 0.168 Uiso 1 1 calc R . . H22K H 0.2286 -0.0040 -0.0175 0.168 Uiso 1 1 calc R . . H22L H 0.1614 0.0467 -0.0052 0.168 Uiso 1 1 calc R . . C224 C 0.0763(4) -0.0021(4) -0.0279(3) 0.110(4) Uani 1 1 d DU . . H22M H 0.0725 0.0124 -0.0620 0.164 Uiso 1 1 calc R . . H22N H 0.0559 0.0308 -0.0080 0.164 Uiso 1 1 calc R . . H22O H 0.0545 -0.0308 -0.0209 0.164 Uiso 1 1 calc R . . C225 C 0.1490(3) -0.0316(3) -0.0163(2) 0.0574(17) Uani 1 1 d DU . . C226 C 0.1540(3) -0.0543(2) 0.0375(2) 0.0478(15) Uani 1 1 d DU . . C227 C 0.1450(3) -0.0248(2) 0.0790(2) 0.0412(13) Uani 1 1 d U . . H227 H 0.1311 0.0164 0.0807 0.049 Uiso 1 1 calc R . . C228 C 0.1609(3) -0.0688(2) 0.1182(2) 0.0402(13) Uani 1 1 d U . . C229 C 0.1694(3) -0.0162(2) 0.18671(19) 0.0310(12) Uani 1 1 d U . . C230 C 0.1920(2) -0.0262(2) 0.23807(18) 0.0300(11) Uani 1 1 d U . . C231 C 0.1816(2) 0.0242(2) 0.26413(18) 0.0299(11) Uani 1 1 d U . . H231 H 0.1595 0.0626 0.2500 0.036 Uiso 1 1 calc R . . C232 C 0.2050(2) 0.0152(2) 0.31096(17) 0.0279(11) Uani 1 1 d U . . C233 C 0.2423(2) -0.0429(2) 0.32878(18) 0.0294(11) Uani 1 1 d U . . H233 H 0.2611 -0.0505 0.3594 0.035 Uiso 1 1 calc R . . C234 C 0.2507(2) -0.0888(2) 0.30010(19) 0.0293(11) Uani 1 1 d U . . C235 C 0.2920(3) -0.1511(2) 0.3197(2) 0.0318(12) Uani 1 1 d U . . C236 C 0.3057(3) -0.2557(2) 0.3248(2) 0.0399(14) Uani 1 1 d U . . C237 C 0.2769(3) -0.2985(3) 0.3238(3) 0.066(2) Uani 1 1 d U . . H237 H 0.2421 -0.2962 0.3047 0.079 Uiso 1 1 calc R . . C238 C 0.3091(4) -0.3439(3) 0.3556(3) 0.068(2) Uani 1 1 d DU E . C239 C 0.2944(5) -0.4003(3) 0.3754(4) 0.111(3) Uani 1 1 d DU . . C240 C 0.2319(12) -0.4013(15) 0.3547(16) 0.144(9) Uani 0.46(4) 1 d PDU E 1 H24A H 0.2236 -0.4367 0.3681 0.216 Uiso 0.46(4) 1 calc PR E 1 H24B H 0.2372 -0.4011 0.3196 0.216 Uiso 0.46(4) 1 calc PR E 1 H24C H 0.1951 -0.3666 0.3632 0.216 Uiso 0.46(4) 1 calc PR E 1 C241 C 0.289(2) -0.3973(12) 0.4322(5) 0.159(10) Uani 0.46(4) 1 d PDU E 1 H24D H 0.2791 -0.4309 0.4479 0.239 Uiso 0.46(4) 1 calc PR E 1 H24E H 0.2548 -0.3609 0.4403 0.239 Uiso 0.46(4) 1 calc PR E 1 H24F H 0.3308 -0.3983 0.4433 0.239 Uiso 0.46(4) 1 calc PR E 1 C242 C 0.3557(10) -0.4556(7) 0.3653(13) 0.085(7) Uani 0.46(4) 1 d PDU E 1 H24G H 0.3473 -0.4912 0.3780 0.128 Uiso 0.46(4) 1 calc PR E 1 H24H H 0.3931 -0.4537 0.3810 0.128 Uiso 0.46(4) 1 calc PR E 1 H24I H 0.3651 -0.4564 0.3305 0.128 Uiso 0.46(4) 1 calc PR E 1 C290 C 0.3581(10) -0.4534(9) 0.3824(13) 0.127(10) Uani 0.54(4) 1 d PDU E 2 H29A H 0.3479 -0.4885 0.3939 0.190 Uiso 0.54(4) 1 calc PR E 2 H29B H 0.3840 -0.4458 0.4061 0.190 Uiso 0.54(4) 1 calc PR E 2 H29C H 0.3829 -0.4597 0.3516 0.190 Uiso 0.54(4) 1 calc PR E 2 C291 C 0.2479(13) -0.4083(13) 0.3374(10) 0.121(7) Uani 0.54(4) 1 d PDU E 2 H29D H 0.2377 -0.4437 0.3475 0.181 Uiso 0.54(4) 1 calc PR E 2 H29E H 0.2701 -0.4119 0.3055 0.181 Uiso 0.54(4) 1 calc PR E 2 H29F H 0.2076 -0.3740 0.3359 0.181 Uiso 0.54(4) 1 calc PR E 2 C292 C 0.2520(14) -0.3845(11) 0.4227(8) 0.113(8) Uani 0.54(4) 1 d PDU E 2 H29G H 0.2400 -0.4181 0.4361 0.169 Uiso 0.54(4) 1 calc PR E 2 H29H H 0.2126 -0.3506 0.4155 0.169 Uiso 0.54(4) 1 calc PR E 2 H29I H 0.2769 -0.3750 0.4461 0.169 Uiso 0.54(4) 1 calc PR E 2 O301 O 0.50220(18) 0.27102(16) 0.36708(14) 0.0388(9) Uani 1 1 d U . . O302 O 0.4639(2) 0.08547(17) 0.20097(13) 0.0404(9) Uani 1 1 d U . . O303 O 0.33880(18) -0.02701(15) 0.40943(12) 0.0340(8) Uani 1 1 d U F . O304 O 0.21163(17) 0.27339(14) 0.44767(12) 0.0334(8) Uani 1 1 d U F . N301 N 0.6436(2) 0.3452(2) 0.33578(19) 0.0465(12) Uani 1 1 d U . . H301 H 0.6427 0.3753 0.3507 0.056 Uiso 1 1 calc R . . N302 N 0.5942(2) 0.3225(2) 0.33993(17) 0.0395(11) Uani 1 1 d U . . N303 N 0.5759(2) 0.24439(18) 0.30289(17) 0.0357(10) Uani 1 1 d U . . H303 H 0.5870 0.2231 0.2782 0.043 Uiso 1 1 calc R . . N304 N 0.5084(2) 0.17570(17) 0.27572(14) 0.0271(9) Uani 1 1 d U . . N305 N 0.5443(2) 0.12628(19) 0.19064(15) 0.0328(10) Uani 1 1 d U . . H305 H 0.5649 0.1437 0.2056 0.039 Uiso 1 1 calc R . . N306 N 0.5981(2) 0.1460(2) 0.11635(16) 0.0389(11) Uani 1 1 d U . . N307 N 0.6105(2) 0.1237(2) 0.07168(16) 0.0419(12) Uani 1 1 d U . . H307 H 0.6312 0.1366 0.0476 0.050 Uiso 1 1 calc R . . N308 N 0.2413(3) -0.1025(2) 0.5528(2) 0.0580(16) Uani 1 1 d U F . H308 H 0.2182 -0.1126 0.5767 0.070 Uiso 1 1 calc R . . N309 N 0.2419(2) -0.04663(19) 0.54251(16) 0.0404(11) Uani 1 1 d U F . N310 N 0.2943(2) 0.00227(18) 0.48485(15) 0.0346(10) Uani 1 1 d U F . H310 H 0.2850 0.0309 0.5036 0.042 Uiso 1 1 calc R . . N311 N 0.2800(2) 0.11635(17) 0.45329(14) 0.0283(9) Uani 1 1 d U . . N312 N 0.2119(2) 0.20632(19) 0.51298(14) 0.0308(10) Uani 1 1 d U F . H312 H 0.2213 0.1690 0.5225 0.037 Uiso 1 1 calc R . . N313 N 0.1425(2) 0.3046(2) 0.53190(16) 0.0463(13) Uani 1 1 d U F . N314 N 0.1200(3) 0.3316(2) 0.57393(17) 0.0599(16) Uani 1 1 d U F . H314 H 0.0950 0.3685 0.5749 0.072 Uiso 1 1 calc R . . C301 C 0.7330(5) 0.3960(4) 0.2666(4) 0.115(4) Uani 1 1 d DU . . H30A H 0.7710 0.4075 0.2585 0.172 Uiso 1 1 calc R . . H30B H 0.7020 0.4242 0.2870 0.172 Uiso 1 1 calc R . . H30C H 0.7122 0.3955 0.2369 0.172 Uiso 1 1 calc R . . C302 C 0.8028(4) 0.2885(4) 0.2620(4) 0.111(4) Uani 1 1 d DU . . H30D H 0.8414 0.2993 0.2540 0.167 Uiso 1 1 calc R . . H30E H 0.7818 0.2885 0.2324 0.167 Uiso 1 1 calc R . . H30F H 0.8157 0.2494 0.2793 0.167 Uiso 1 1 calc R . . C303 C 0.7853(4) 0.3348(5) 0.3421(3) 0.108(3) Uani 1 1 d DU . . H30G H 0.8239 0.3457 0.3351 0.161 Uiso 1 1 calc R . . H30H H 0.7977 0.2959 0.3598 0.161 Uiso 1 1 calc R . . H30I H 0.7535 0.3636 0.3617 0.161 Uiso 1 1 calc R . . C304 C 0.7547(3) 0.3334(3) 0.2942(3) 0.072(2) Uani 1 1 d DU . . C305 C 0.6937(3) 0.3160(3) 0.3061(3) 0.0575(17) Uani 1 1 d DU . . C306 C 0.6759(3) 0.2727(3) 0.2877(2) 0.0511(16) Uani 1 1 d U . . H306 H 0.6998 0.2457 0.2652 0.061 Uiso 1 1 calc R . . C307 C 0.6144(3) 0.2785(2) 0.3101(2) 0.0370(12) Uani 1 1 d U . . C308 C 0.5233(2) 0.2418(2) 0.33075(19) 0.0310(12) Uani 1 1 d U . . C309 C 0.4902(2) 0.2010(2) 0.31780(18) 0.0291(11) Uani 1 1 d U . . C310 C 0.4410(2) 0.1918(2) 0.34956(17) 0.0267(11) Uani 1 1 d U . . H31A H 0.4289 0.2116 0.3781 0.032 Uiso 1 1 calc R . . C311 C 0.4099(2) 0.1536(2) 0.33917(17) 0.0255(11) Uani 1 1 d U . . C312 C 0.4285(2) 0.1268(2) 0.29476(17) 0.0271(11) Uani 1 1 d U . . H31B H 0.4090 0.1007 0.2859 0.033 Uiso 1 1 calc R . . C313 C 0.4767(2) 0.1400(2) 0.26434(17) 0.0276(11) Uani 1 1 d U . . C314 C 0.4945(3) 0.1138(2) 0.21552(18) 0.0298(11) Uani 1 1 d U . . C315 C 0.5658(3) 0.1134(2) 0.14225(18) 0.0349(12) Uani 1 1 d U . . C316 C 0.5578(3) 0.0718(3) 0.1143(2) 0.0395(13) Uani 1 1 d U . . H316 H 0.5370 0.0442 0.1241 0.047 Uiso 1 1 calc R . . C317 C 0.5871(3) 0.0799(3) 0.0692(2) 0.0466(15) Uani 1 1 d DU . . C318 C 0.5894(3) 0.0519(3) 0.0217(2) 0.0657(19) Uani 1 1 d DU . . C319 C 0.5167(4) 0.0683(4) 0.0066(3) 0.086(3) Uani 1 1 d DU . . H31C H 0.4964 0.1110 0.0011 0.129 Uiso 1 1 calc R . . H31D H 0.4924 0.0536 0.0325 0.129 Uiso 1 1 calc R . . H31E H 0.5164 0.0504 -0.0230 0.129 Uiso 1 1 calc R . . C320 C 0.6223(4) -0.0142(3) 0.0296(3) 0.089(3) Uani 1 1 d DU . . H32A H 0.6236 -0.0317 -0.0006 0.134 Uiso 1 1 calc R . . H32B H 0.5979 -0.0300 0.0545 0.134 Uiso 1 1 calc R . . H32C H 0.6668 -0.0236 0.0397 0.134 Uiso 1 1 calc R . . C321 C 0.6236(5) 0.0799(5) -0.0197(3) 0.102(3) Uani 1 1 d DU . . H32D H 0.6002 0.1223 -0.0238 0.153 Uiso 1 1 calc R . . H32E H 0.6236 0.0626 -0.0497 0.153 Uiso 1 1 calc R . . H32F H 0.6685 0.0723 -0.0114 0.153 Uiso 1 1 calc R . . C322 C 0.2672(7) -0.2255(5) 0.5780(5) 0.094(4) Uani 0.643(10) 1 d PDU F 1 H32G H 0.2827 -0.2682 0.5845 0.141 Uiso 0.643(10) 1 calc PR F 1 H32H H 0.2207 -0.2109 0.5718 0.141 Uiso 0.643(10) 1 calc PR F 1 H32I H 0.2743 -0.2079 0.6060 0.141 Uiso 0.643(10) 1 calc PR F 1 C323 C 0.3796(5) -0.2373(5) 0.5419(5) 0.101(4) Uani 0.643(10) 1 d PDU F 1 H32J H 0.3912 -0.2798 0.5488 0.151 Uiso 0.643(10) 1 calc PR F 1 H32K H 0.3901 -0.2210 0.5694 0.151 Uiso 0.643(10) 1 calc PR F 1 H32L H 0.4041 -0.2291 0.5131 0.151 Uiso 0.643(10) 1 calc PR F 1 C324 C 0.2878(9) -0.2293(7) 0.4864(5) 0.097(4) Uani 0.643(10) 1 d PDU F 1 H32M H 0.3007 -0.2721 0.4895 0.145 Uiso 0.643(10) 1 calc PR F 1 H32N H 0.3111 -0.2170 0.4585 0.145 Uiso 0.643(10) 1 calc PR F 1 H32O H 0.2409 -0.2116 0.4821 0.145 Uiso 0.643(10) 1 calc PR F 1 C325 C 0.3052(6) -0.2087(4) 0.5334(4) 0.083(3) Uani 0.643(10) 1 d PDU F 1 C372 C 0.3106(14) -0.2283(11) 0.4716(8) 0.091(6) Uani 0.357(10) 1 d PDU F 2 H37A H 0.3082 -0.2674 0.4706 0.136 Uiso 0.357(10) 1 calc PR F 2 H37B H 0.3561 -0.2316 0.4722 0.136 Uiso 0.357(10) 1 calc PR F 2 H37C H 0.2908 -0.2032 0.4430 0.136 Uiso 0.357(10) 1 calc PR F 2 C373 C 0.2033(9) -0.2024(9) 0.5226(10) 0.097(6) Uani 0.357(10) 1 d PDU F 2 H37D H 0.2050 -0.2426 0.5209 0.146 Uiso 0.357(10) 1 calc PR F 2 H37E H 0.1776 -0.1768 0.4965 0.146 Uiso 0.357(10) 1 calc PR F 2 H37F H 0.1832 -0.1887 0.5537 0.146 Uiso 0.357(10) 1 calc PR F 2 C374 C 0.3095(12) -0.2387(8) 0.5629(8) 0.089(5) Uani 0.357(10) 1 d PDU F 2 H37G H 0.3091 -0.2787 0.5636 0.134 Uiso 0.357(10) 1 calc PR F 2 H37H H 0.2875 -0.2212 0.5923 0.134 Uiso 0.357(10) 1 calc PR F 2 H37I H 0.3545 -0.2399 0.5611 0.134 Uiso 0.357(10) 1 calc PR F 2 C375 C 0.2731(9) -0.2009(6) 0.5178(7) 0.080(4) Uani 0.357(10) 1 d PDU F 2 C326 C 0.2804(4) -0.1404(2) 0.5216(3) 0.071(2) Uani 1 1 d DU . . C327 C 0.3080(3) -0.1064(3) 0.4877(2) 0.0587(19) Uani 1 1 d U F . H327 H 0.3365 -0.1192 0.4607 0.070 Uiso 1 1 calc R . . C328 C 0.2828(3) -0.0494(2) 0.5038(2) 0.0400(14) Uani 1 1 d U . . C329 C 0.3193(2) 0.0107(2) 0.43873(18) 0.0290(11) Uani 1 1 d U . . C330 C 0.3198(2) 0.0731(2) 0.42570(17) 0.0268(11) Uani 1 1 d U F . C331 C 0.3598(2) 0.0834(2) 0.38641(16) 0.0274(11) Uani 1 1 d U . . H331 H 0.3857 0.0525 0.3678 0.033 Uiso 1 1 calc R F . C332 C 0.3604(2) 0.1411(2) 0.37540(17) 0.0251(10) Uani 1 1 d U F . C333 C 0.3158(2) 0.1865(2) 0.40082(16) 0.0277(11) Uani 1 1 d U . . H333 H 0.3120 0.2261 0.3925 0.033 Uiso 1 1 calc R F . C334 C 0.2769(2) 0.1716(2) 0.43913(17) 0.0265(11) Uani 1 1 d U F . C335 C 0.2298(2) 0.2212(2) 0.46740(17) 0.0297(11) Uani 1 1 d U . . C336 C 0.1781(3) 0.2488(2) 0.54661(18) 0.0353(13) Uani 1 1 d U . . C337 C 0.1793(3) 0.2395(3) 0.5975(2) 0.0532(17) Uani 1 1 d U F . H337 H 0.2010 0.2041 0.6163 0.064 Uiso 1 1 calc R . . C338 C 0.1418(4) 0.2935(3) 0.6139(2) 0.063(2) Uani 1 1 d DU . . C339 C 0.1251(4) 0.3123(3) 0.6653(2) 0.084(2) Uani 1 1 d DU F . C340 C 0.0527(5) 0.3124(7) 0.6791(4) 0.080(4) Uani 0.630(15) 1 d PDU F 1 H34A H 0.0400 0.3246 0.7117 0.120 Uiso 0.630(15) 1 calc PR F 1 H34B H 0.0519 0.2729 0.6778 0.120 Uiso 0.630(15) 1 calc PR F 1 H34C H 0.0223 0.3398 0.6562 0.120 Uiso 0.630(15) 1 calc PR F 1 C341 C 0.1230(9) 0.3743(5) 0.6689(4) 0.088(4) Uani 0.630(15) 1 d PDU F 1 H34D H 0.1121 0.3843 0.7023 0.132 Uiso 0.630(15) 1 calc PR F 1 H34E H 0.0901 0.4017 0.6478 0.132 Uiso 0.630(15) 1 calc PR F 1 H34F H 0.1657 0.3768 0.6591 0.132 Uiso 0.630(15) 1 calc PR F 1 C342 C 0.1728(7) 0.2681(7) 0.7005(5) 0.079(5) Uani 0.630(15) 1 d PDU F 1 H34G H 0.1619 0.2806 0.7332 0.118 Uiso 0.630(15) 1 calc PR F 1 H34H H 0.2172 0.2662 0.6910 0.118 Uiso 0.630(15) 1 calc PR F 1 H34I H 0.1697 0.2293 0.6998 0.118 Uiso 0.630(15) 1 calc PR F 1 C390 C 0.1692(10) 0.3521(9) 0.6691(7) 0.085(4) Uani 0.370(15) 1 d PDU F 2 H39A H 0.1618 0.3672 0.7009 0.128 Uiso 0.370(15) 1 calc PR F 2 H39B H 0.1574 0.3850 0.6441 0.128 Uiso 0.370(15) 1 calc PR F 2 H39C H 0.2152 0.3282 0.6646 0.128 Uiso 0.370(15) 1 calc PR F 2 C391 C 0.1483(14) 0.2588(10) 0.7025(9) 0.090(6) Uani 0.370(15) 1 d PDU F 2 H39D H 0.1367 0.2716 0.7351 0.135 Uiso 0.370(15) 1 calc PR F 2 H39E H 0.1956 0.2399 0.6989 0.135 Uiso 0.370(15) 1 calc PR F 2 H39F H 0.1274 0.2308 0.6973 0.135 Uiso 0.370(15) 1 calc PR F 2 C392 C 0.0562(8) 0.3552(12) 0.6718(8) 0.098(6) Uani 0.370(15) 1 d PDU F 2 H39G H 0.0485 0.3658 0.7051 0.147 Uiso 0.370(15) 1 calc PR F 2 H39H H 0.0253 0.3370 0.6646 0.147 Uiso 0.370(15) 1 calc PR F 2 H39I H 0.0502 0.3905 0.6498 0.147 Uiso 0.370(15) 1 calc PR F 2 O401 O 0.2523(2) 0.32019(19) 0.01700(13) 0.0479(10) Uani 1 1 d U . . O402 O 0.14882(19) 0.16023(16) 0.21348(13) 0.0377(9) Uani 1 1 d U . . O403 O 0.28277(17) 0.31408(15) 0.34104(12) 0.0326(8) Uani 1 1 d U . . O404 O 0.51172(18) 0.25533(16) 0.14400(14) 0.0402(9) Uani 1 1 d U . . N401 N 0.1495(3) 0.3675(3) -0.10675(17) 0.0567(15) Uani 1 1 d U . . H401 H 0.1666 0.3792 -0.1335 0.068 Uiso 1 1 calc R . . N402 N 0.1840(3) 0.3432(3) -0.06518(18) 0.0532(14) Uani 1 1 d U . . N403 N 0.1544(2) 0.3057(2) 0.01441(16) 0.0391(11) Uani 1 1 d U . . H403 H 0.1276 0.2907 0.0308 0.047 Uiso 1 1 calc R . . N404 N 0.1748(2) 0.24939(18) 0.10771(14) 0.0311(10) Uani 1 1 d U . . N405 N 0.0905(2) 0.1955(2) 0.14422(16) 0.0362(10) Uani 1 1 d U . . H405 H 0.0857 0.2204 0.1186 0.043 Uiso 1 1 calc R . . N406 N 0.0200(2) 0.1557(2) 0.11118(17) 0.0409(11) Uani 1 1 d U . . N407 N -0.0182(2) 0.1236(2) 0.12939(18) 0.0464(12) Uani 1 1 d U . . H407 H -0.0412 0.1116 0.1115 0.056 Uiso 1 1 calc R . . N408 N 0.3950(2) 0.39567(19) 0.44182(16) 0.0369(11) Uani 1 1 d U . . H408 H 0.4193 0.4056 0.4601 0.044 Uiso 1 1 calc R . . N409 N 0.4126(2) 0.38159(18) 0.39433(16) 0.0334(10) Uani 1 1 d U . . N410 N 0.3645(2) 0.35451(19) 0.33199(15) 0.0319(10) Uani 1 1 d U . . H410 H 0.3918 0.3637 0.3111 0.038 Uiso 1 1 calc R . . N411 N 0.4037(2) 0.30845(17) 0.24530(15) 0.0287(9) Uani 1 1 d U . . N412 N 0.5156(2) 0.32067(19) 0.19675(16) 0.0362(11) Uani 1 1 d U . . H412 H 0.5006 0.3347 0.2246 0.043 Uiso 1 1 calc R . . N413 N 0.6110(2) 0.2994(2) 0.14154(19) 0.0485(13) Uani 1 1 d U . . N414 N 0.6496(3) 0.3309(2) 0.1218(2) 0.0573(15) Uani 1 1 d U . . H414 H 0.6811 0.3183 0.1001 0.069 Uiso 1 1 calc R . . C401 C 0.0282(11) 0.4621(5) -0.1535(8) 0.102(6) Uani 0.70(3) 1 d PDU G 1 H40A H -0.0018 0.4784 -0.1799 0.153 Uiso 0.70(3) 1 calc PR G 1 H40B H 0.0697 0.4671 -0.1630 0.153 Uiso 0.70(3) 1 calc PR G 1 H40C H 0.0095 0.4827 -0.1247 0.153 Uiso 0.70(3) 1 calc PR G 1 C402 C -0.0268(5) 0.3896(9) -0.1259(5) 0.075(4) Uani 0.70(3) 1 d PDU G 1 H40D H -0.0571 0.4049 -0.1522 0.113 Uiso 0.70(3) 1 calc PR G 1 H40E H -0.0447 0.4118 -0.0978 0.113 Uiso 0.70(3) 1 calc PR G 1 H40F H -0.0203 0.3481 -0.1173 0.113 Uiso 0.70(3) 1 calc PR G 1 C403 C 0.0668(8) 0.3626(9) -0.1877(5) 0.092(5) Uani 0.70(3) 1 d PDU G 1 H40G H 0.0359 0.3787 -0.2135 0.138 Uiso 0.70(3) 1 calc PR G 1 H40H H 0.0734 0.3210 -0.1799 0.138 Uiso 0.70(3) 1 calc PR G 1 H40I H 0.1083 0.3670 -0.1982 0.138 Uiso 0.70(3) 1 calc PR G 1 C451 C 0.042(2) 0.3466(12) -0.1740(12) 0.097(10) Uani 0.30(3) 1 d PDU G 2 H45A H 0.0123 0.3631 -0.2003 0.146 Uiso 0.30(3) 1 calc PR G 2 H45B H 0.0299 0.3164 -0.1541 0.146 Uiso 0.30(3) 1 calc PR G 2 H45C H 0.0866 0.3290 -0.1874 0.146 Uiso 0.30(3) 1 calc PR G 2 C452 C 0.0622(19) 0.4416(18) -0.1761(13) 0.104(10) Uani 0.30(3) 1 d PDU G 2 H45D H 0.0328 0.4576 -0.2028 0.156 Uiso 0.30(3) 1 calc PR G 2 H45E H 0.1065 0.4220 -0.1889 0.156 Uiso 0.30(3) 1 calc PR G 2 H45F H 0.0615 0.4735 -0.1575 0.156 Uiso 0.30(3) 1 calc PR G 2 C453 C -0.0305(9) 0.427(2) -0.1224(11) 0.087(9) Uani 0.30(3) 1 d PDU G 2 H45G H -0.0599 0.4429 -0.1491 0.130 Uiso 0.30(3) 1 calc PR G 2 H45H H -0.0311 0.4596 -0.1042 0.130 Uiso 0.30(3) 1 calc PR G 2 H45I H -0.0446 0.3993 -0.1010 0.130 Uiso 0.30(3) 1 calc PR G 2 C404 C 0.0394(3) 0.3960(3) -0.1424(2) 0.0606(18) Uani 1 1 d DU . . C405 C 0.0871(3) 0.3710(3) -0.10107(19) 0.0474(15) Uani 1 1 d DU G . C406 C 0.0778(3) 0.3485(3) -0.0542(2) 0.0448(14) Uani 1 1 d U . . H406 H 0.0387 0.3456 -0.0395 0.054 Uiso 1 1 calc R G . C407 C 0.1376(3) 0.3313(3) -0.03396(19) 0.0419(14) Uani 1 1 d U G . C408 C 0.2081(3) 0.3029(3) 0.03663(19) 0.0391(13) Uani 1 1 d U . . C409 C 0.2152(3) 0.2773(2) 0.08942(18) 0.0330(12) Uani 1 1 d U . . C410 C 0.2641(3) 0.2834(2) 0.11564(18) 0.0323(12) Uani 1 1 d U . . H41A H 0.2917 0.3031 0.1008 0.039 Uiso 1 1 calc R . . C411 C 0.2720(2) 0.2601(2) 0.16437(17) 0.0282(11) Uani 1 1 d U . . C412 C 0.2298(3) 0.2289(2) 0.18340(17) 0.0285(11) Uani 1 1 d U . . H41B H 0.2335 0.2117 0.2156 0.034 Uiso 1 1 calc R . . C413 C 0.1840(3) 0.2244(2) 0.15438(17) 0.0299(11) Uani 1 1 d U . . C414 C 0.1392(3) 0.1901(2) 0.17398(19) 0.0327(12) Uani 1 1 d U . . C415 C 0.0471(3) 0.1642(2) 0.1513(2) 0.0357(12) Uani 1 1 d U . . C416 C 0.0251(3) 0.1381(2) 0.1934(2) 0.0390(13) Uani 1 1 d U . . H416 H 0.0364 0.1382 0.2255 0.047 Uiso 1 1 calc R . . C417 C -0.0163(3) 0.1125(3) 0.1785(2) 0.0446(14) Uani 1 1 d DU H . C418 C -0.0549(3) 0.0771(3) 0.2077(2) 0.0564(17) Uani 1 1 d DU . . C419 C -0.0868(11) 0.0502(9) 0.1738(4) 0.093(5) Uani 0.69(2) 1 d PDU H 1 H41C H -0.1110 0.0283 0.1930 0.140 Uiso 0.69(2) 1 calc PR H 1 H41D H -0.0529 0.0236 0.1538 0.140 Uiso 0.69(2) 1 calc PR H 1 H41E H -0.1165 0.0816 0.1530 0.140 Uiso 0.69(2) 1 calc PR H 1 C420 C -0.1070(8) 0.1170(5) 0.2414(6) 0.083(5) Uani 0.69(2) 1 d PDU H 1 H42A H -0.1314 0.0944 0.2595 0.124 Uiso 0.69(2) 1 calc PR H 1 H42B H -0.1369 0.1501 0.2221 0.124 Uiso 0.69(2) 1 calc PR H 1 H42C H -0.0859 0.1317 0.2639 0.124 Uiso 0.69(2) 1 calc PR H 1 C421 C -0.0072(6) 0.0266(7) 0.2413(7) 0.097(6) Uani 0.69(2) 1 d PDU H 1 H42D H -0.0313 0.0040 0.2597 0.145 Uiso 0.69(2) 1 calc PR H 1 H42E H 0.0118 0.0438 0.2636 0.145 Uiso 0.69(2) 1 calc PR H 1 H42F H 0.0275 0.0007 0.2216 0.145 Uiso 0.69(2) 1 calc PR H 1 C469 C -0.0244(19) 0.0564(18) 0.2577(8) 0.099(9) Uani 0.31(2) 1 d PDU H 2 H46A H -0.0480 0.0340 0.2770 0.149 Uiso 0.31(2) 1 calc PR H 2 H46B H -0.0273 0.0906 0.2741 0.149 Uiso 0.31(2) 1 calc PR H 2 H46C H 0.0213 0.0315 0.2534 0.149 Uiso 0.31(2) 1 calc PR H 2 C470 C -0.0458(17) 0.0218(10) 0.1814(10) 0.069(8) Uani 0.31(2) 1 d PDU H 2 H47A H -0.0700 -0.0010 0.1993 0.103 Uiso 0.31(2) 1 calc PR H 2 H47B H 0.0004 -0.0023 0.1793 0.103 Uiso 0.31(2) 1 calc PR H 2 H47C H -0.0622 0.0339 0.1488 0.103 Uiso 0.31(2) 1 calc PR H 2 C471 C -0.1276(7) 0.1158(12) 0.2093(16) 0.102(10) Uani 0.31(2) 1 d PDU H 2 H47D H -0.1526 0.0939 0.2275 0.153 Uiso 0.31(2) 1 calc PR H 2 H47E H -0.1429 0.1266 0.1764 0.153 Uiso 0.31(2) 1 calc PR H 2 H47F H -0.1335 0.1513 0.2249 0.153 Uiso 0.31(2) 1 calc PR H 2 C422 C 0.3529(4) 0.4197(5) 0.5385(3) 0.092(3) Uani 1 1 d DU . . H42G H 0.3327 0.4277 0.5706 0.138 Uiso 1 1 calc R . . H42H H 0.3614 0.4543 0.5232 0.138 Uiso 1 1 calc R . . H42I H 0.3940 0.3864 0.5413 0.138 Uiso 1 1 calc R . . C423 C 0.2908(6) 0.3508(4) 0.5304(3) 0.101(3) Uani 1 1 d DU . . H42J H 0.2714 0.3582 0.5628 0.151 Uiso 1 1 calc R . . H42K H 0.3309 0.3164 0.5323 0.151 Uiso 1 1 calc R . . H42L H 0.2601 0.3436 0.5105 0.151 Uiso 1 1 calc R . . C424 C 0.2419(4) 0.4581(4) 0.5032(3) 0.087(3) Uani 1 1 d DU . . H42M H 0.2222 0.4666 0.5354 0.130 Uiso 1 1 calc R . . H42N H 0.2120 0.4489 0.4840 0.130 Uiso 1 1 calc R . . H42O H 0.2508 0.4924 0.4875 0.130 Uiso 1 1 calc R . . C425 C 0.3067(3) 0.4047(3) 0.50747(18) 0.0454(14) Uani 1 1 d DU . . C426 C 0.3367(3) 0.3923(2) 0.45635(18) 0.0376(13) Uani 1 1 d DU . . C427 C 0.3123(3) 0.3762(2) 0.41692(19) 0.0366(13) Uani 1 1 d U . . H427 H 0.2722 0.3704 0.4155 0.044 Uiso 1 1 calc R . . C428 C 0.3615(3) 0.3706(2) 0.37982(18) 0.0318(12) Uani 1 1 d U . . C429 C 0.3274(2) 0.3255(2) 0.31636(18) 0.0284(11) Uani 1 1 d U . . C430 C 0.3459(2) 0.3066(2) 0.26544(17) 0.0271(11) Uani 1 1 d U . . C431 C 0.3031(3) 0.2875(2) 0.24181(18) 0.0295(11) Uani 1 1 d U . . H431 H 0.2641 0.2856 0.2577 0.035 Uiso 1 1 calc R . . C432 C 0.3199(2) 0.2712(2) 0.19387(17) 0.0265(11) Uani 1 1 d U . . C433 C 0.3819(2) 0.2691(2) 0.17431(18) 0.0292(11) Uani 1 1 d U . . H433 H 0.3964 0.2552 0.1436 0.035 Uiso 1 1 calc R . . C434 C 0.4217(2) 0.2875(2) 0.20062(18) 0.0283(11) Uani 1 1 d U . . C435 C 0.4873(3) 0.2871(2) 0.17905(18) 0.0345(12) Uani 1 1 d U . . C436 C 0.5687(3) 0.3348(2) 0.1728(2) 0.0419(14) Uani 1 1 d U . . C437 C 0.5806(3) 0.3879(3) 0.1740(2) 0.0517(16) Uani 1 1 d U . . H437 H 0.5584 0.4193 0.1932 0.062 Uiso 1 1 calc R . . C438 C 0.6326(3) 0.3836(3) 0.1404(3) 0.0607(18) Uani 1 1 d DU . . C439 C 0.6630(4) 0.4303(3) 0.1214(3) 0.076(2) Uani 1 1 d DU . . C440 C 0.6311(4) 0.4853(3) 0.1498(3) 0.086(3) Uani 1 1 d DU . . H44A H 0.6497 0.5153 0.1377 0.129 Uiso 1 1 calc R . . H44B H 0.6395 0.4745 0.1840 0.129 Uiso 1 1 calc R . . H44C H 0.5842 0.5008 0.1454 0.129 Uiso 1 1 calc R . . C441 C 0.6468(6) 0.4462(5) 0.0670(3) 0.125(4) Uani 1 1 d DU . . H44D H 0.6644 0.4763 0.0535 0.187 Uiso 1 1 calc R . . H44E H 0.5995 0.4612 0.0639 0.187 Uiso 1 1 calc R . . H44F H 0.6662 0.4111 0.0495 0.187 Uiso 1 1 calc R . . C442 C 0.7380(4) 0.4055(4) 0.1247(4) 0.095(3) Uani 1 1 d DU . . H44G H 0.7558 0.4360 0.1127 0.143 Uiso 1 1 calc R . . H44H H 0.7563 0.3720 0.1053 0.143 Uiso 1 1 calc R . . H44I H 0.7494 0.3928 0.1584 0.143 Uiso 1 1 calc R . . C501 C 0.3578(4) -0.0525(4) 0.6382(3) 0.121(3) Uani 1 1 d DU . . H501 H 0.3225 -0.0187 0.6222 0.145 Uiso 0.608(14) 1 calc PR I 1 H502 H 0.3255 -0.0183 0.6201 0.145 Uiso 0.392(14) 1 calc PR I 2 Cl17 Cl 0.3268(3) -0.0784(3) 0.6899(2) 0.115(3) Uani 0.608(14) 1 d PDU I 1 Cl18 Cl 0.3846(4) -0.1140(4) 0.5994(2) 0.140(4) Uani 0.608(14) 1 d PDU I 1 Cl19 Cl 0.4267(3) -0.0329(3) 0.6421(5) 0.169(5) Uani 0.608(14) 1 d PDU I 1 Cl67 Cl 0.3099(11) -0.0870(11) 0.6724(10) 0.278(11) Uani 0.392(14) 1 d PDU I 2 Cl68 Cl 0.4103(7) -0.0843(8) 0.5966(5) 0.173(6) Uani 0.392(14) 1 d PDU I 2 Cl69 Cl 0.3903(11) -0.0187(7) 0.6805(7) 0.228(8) Uani 0.392(14) 1 d PDU I 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 Cu1 0.0611(5) 0.0224(3) 0.0633(5) -0.0035(3) -0.0221(4) -0.0119(3) Cu2 0.0569(5) 0.0268(4) 0.0412(4) 0.0048(3) -0.0122(3) -0.0045(3) Cu3 0.0459(4) 0.0373(4) 0.0285(3) 0.0065(3) 0.0129(3) -0.0064(3) Cu4 0.0494(4) 0.0264(3) 0.0266(3) -0.0051(3) -0.0027(3) 0.0019(3) Cu5 0.0379(4) 0.0285(3) 0.0433(4) -0.0090(3) 0.0039(3) -0.0126(3) Cu6 0.0501(4) 0.0425(4) 0.0453(4) -0.0125(3) 0.0220(3) -0.0245(3) Cu7 0.0573(5) 0.0806(6) 0.0345(4) 0.0283(4) -0.0067(4) -0.0339(4) Cu8 0.0458(4) 0.0503(4) 0.0342(4) 0.0009(3) -0.0080(3) -0.0221(3) Cl1 0.0517(9) 0.0318(7) 0.0636(9) 0.0035(7) -0.0115(7) -0.0192(6) Cl2 0.0725(11) 0.0375(8) 0.0753(11) -0.0180(8) -0.0188(9) -0.0131(8) Cl3 0.0799(12) 0.0376(8) 0.0700(11) 0.0199(8) -0.0334(9) -0.0138(8) Cl4 0.0518(9) 0.0334(7) 0.0411(8) -0.0054(6) -0.0067(6) 0.0016(6) Cl5 0.0465(8) 0.0362(7) 0.0272(6) 0.0046(5) 0.0023(6) -0.0078(6) Cl6 0.0668(10) 0.0609(10) 0.0482(9) 0.0136(8) 0.0220(8) -0.0174(8) Cl7 0.0398(7) 0.0349(7) 0.0366(7) -0.0041(6) 0.0056(6) -0.0051(6) Cl8 0.1056(15) 0.0329(8) 0.0534(10) -0.0122(7) 0.0117(10) 0.0043(9) Cl9 0.0515(8) 0.0252(7) 0.0522(8) -0.0030(6) 0.0093(7) -0.0159(6) Cl10 0.0514(11) 0.167(2) 0.134(2) -0.1180(19) 0.0221(12) -0.0476(13) Cl11 0.0444(8) 0.0471(8) 0.0490(8) -0.0091(7) 0.0044(7) -0.0217(7) Cl12 0.1100(15) 0.0598(11) 0.0878(13) -0.0265(10) 0.0696(13) -0.0456(11) Cl13 0.0710(11) 0.0960(13) 0.0298(7) 0.0057(8) 0.0001(7) -0.0383(10) Cl14 0.0962(17) 0.149(2) 0.124(2) 0.0999(19) -0.0449(15) -0.0729(17) Cl15 0.0852(14) 0.149(2) 0.0506(10) -0.0066(11) -0.0081(10) -0.0808(15) Cl16 0.0476(8) 0.0401(8) 0.0417(8) 0.0065(6) -0.0085(6) -0.0136(6) O101 0.048(2) 0.0216(18) 0.041(2) -0.0035(16) -0.0147(19) -0.0103(16) O102 0.055(2) 0.034(2) 0.0289(19) -0.0003(16) -0.0060(17) -0.0189(18) O103 0.043(2) 0.038(2) 0.039(2) 0.0055(17) 0.0010(19) -0.0206(18) O104 0.040(2) 0.036(2) 0.0285(18) 0.0005(15) -0.0065(16) -0.0156(17) N101 0.068(4) 0.019(2) 0.102(4) 0.001(3) -0.025(3) -0.017(2) N102 0.059(3) 0.016(2) 0.078(4) 0.005(2) -0.021(3) -0.010(2) N103 0.045(3) 0.024(2) 0.038(2) 0.0001(19) -0.005(2) -0.0112(19) N104 0.033(2) 0.022(2) 0.031(2) -0.0014(17) -0.0019(18) -0.0090(18) N105 0.043(3) 0.030(2) 0.031(2) -0.0031(18) -0.008(2) -0.011(2) N106 0.045(3) 0.033(2) 0.032(2) 0.0073(19) -0.013(2) -0.006(2) N107 0.044(3) 0.043(3) 0.032(2) 0.012(2) -0.012(2) -0.006(2) N108 0.060(4) 0.089(4) 0.089(4) 0.063(4) -0.019(3) -0.046(3) N109 0.048(3) 0.070(3) 0.053(3) 0.030(3) -0.008(2) -0.036(3) N110 0.050(3) 0.048(3) 0.038(3) 0.015(2) -0.003(2) -0.026(2) N111 0.042(3) 0.029(2) 0.023(2) -0.0031(17) 0.0011(19) -0.0156(19) N112 0.049(3) 0.037(2) 0.026(2) 0.0031(19) -0.006(2) -0.018(2) N113 0.050(3) 0.054(3) 0.032(2) 0.004(2) -0.014(2) -0.015(2) N114 0.063(3) 0.063(3) 0.038(3) 0.000(2) -0.021(3) -0.020(3) C101 0.110(7) 0.044(5) 0.188(11) 0.036(6) -0.035(7) -0.035(5) C102 0.096(6) 0.046(4) 0.143(8) 0.029(5) -0.058(6) -0.027(4) C103 0.153(9) 0.026(4) 0.183(10) -0.020(5) -0.061(8) -0.014(5) C104 0.070(5) 0.029(3) 0.136(7) 0.016(4) -0.040(5) -0.019(3) C105 0.060(4) 0.022(3) 0.100(5) 0.010(3) -0.020(4) -0.012(3) C106 0.056(4) 0.026(3) 0.075(4) 0.007(3) -0.014(3) -0.015(3) C107 0.043(3) 0.027(3) 0.048(3) 0.000(2) -0.008(3) -0.010(2) C108 0.037(3) 0.022(3) 0.039(3) -0.002(2) 0.003(2) -0.008(2) C109 0.029(3) 0.023(2) 0.028(3) -0.003(2) 0.002(2) -0.005(2) C110 0.033(3) 0.030(3) 0.023(2) -0.002(2) -0.002(2) -0.011(2) C111 0.029(3) 0.024(2) 0.024(2) -0.0031(19) 0.006(2) -0.010(2) C112 0.031(3) 0.026(3) 0.028(3) -0.002(2) 0.003(2) -0.011(2) C113 0.028(3) 0.030(3) 0.025(2) -0.001(2) -0.004(2) -0.010(2) C114 0.034(3) 0.030(3) 0.025(2) 0.001(2) 0.001(2) -0.014(2) C115 0.030(3) 0.039(3) 0.031(3) 0.003(2) -0.010(2) -0.004(2) C116 0.039(3) 0.037(3) 0.032(3) 0.003(2) -0.010(2) -0.005(2) C117 0.042(3) 0.048(3) 0.032(3) -0.003(2) -0.004(2) -0.005(3) C118 0.056(4) 0.068(4) 0.041(3) 0.002(3) -0.022(3) -0.015(3) C119 0.089(10) 0.110(10) 0.101(11) -0.039(9) -0.064(9) 0.000(8) C120 0.103(10) 0.090(10) 0.056(7) -0.018(7) -0.016(7) -0.030(8) C121 0.097(10) 0.115(10) 0.056(7) -0.008(7) -0.040(7) -0.047(8) C169 0.107(13) 0.076(10) 0.038(9) -0.003(8) -0.038(9) -0.031(10) C170 0.069(9) 0.112(14) 0.045(9) 0.005(9) -0.036(8) -0.050(10) C171 0.069(11) 0.083(10) 0.043(8) 0.000(7) -0.030(8) -0.047(9) C122 0.101(8) 0.110(7) 0.134(10) 0.057(7) -0.045(7) -0.084(6) C123 0.095(7) 0.125(8) 0.122(7) 0.071(7) -0.027(6) -0.071(7) C124 0.093(8) 0.123(9) 0.118(8) 0.055(7) -0.037(7) -0.084(7) C125 0.087(6) 0.109(7) 0.112(7) 0.066(6) -0.036(5) -0.075(5) C172 0.086(11) 0.129(12) 0.117(13) 0.060(11) -0.010(11) -0.068(10) C173 0.088(11) 0.123(10) 0.124(10) 0.060(10) -0.022(9) -0.075(9) C174 0.089(11) 0.129(11) 0.130(11) 0.076(10) -0.028(10) -0.081(9) C175 0.082(8) 0.115(8) 0.115(9) 0.070(7) -0.026(7) -0.069(7) C126 0.076(5) 0.113(6) 0.112(6) 0.077(5) -0.032(4) -0.063(4) C127 0.062(4) 0.086(5) 0.097(5) 0.066(4) -0.032(4) -0.049(4) C128 0.044(3) 0.057(4) 0.049(3) 0.023(3) -0.003(3) -0.028(3) C129 0.036(3) 0.031(3) 0.031(3) 0.006(2) 0.003(2) -0.014(2) C130 0.032(3) 0.026(3) 0.026(2) -0.002(2) 0.003(2) -0.014(2) C131 0.033(3) 0.027(3) 0.024(2) -0.004(2) 0.004(2) -0.013(2) C132 0.034(3) 0.023(2) 0.021(2) -0.0048(19) 0.005(2) -0.011(2) C133 0.038(3) 0.025(3) 0.029(3) -0.002(2) 0.003(2) -0.016(2) C134 0.035(3) 0.027(3) 0.023(2) -0.002(2) 0.004(2) -0.011(2) C135 0.044(3) 0.028(3) 0.028(3) 0.000(2) -0.001(2) -0.012(2) C136 0.051(3) 0.039(3) 0.030(3) 0.002(2) -0.004(3) -0.014(3) C137 0.064(4) 0.045(3) 0.034(3) 0.001(3) -0.008(3) -0.015(3) C138 0.067(4) 0.049(4) 0.041(3) -0.002(3) -0.014(3) -0.018(3) C139 0.116(5) 0.067(4) 0.043(3) -0.002(3) -0.033(4) -0.036(4) C140 0.165(10) 0.084(6) 0.061(6) -0.005(6) -0.042(7) -0.058(6) C141 0.155(9) 0.107(8) 0.035(5) -0.003(5) -0.024(5) -0.057(7) C142 0.138(9) 0.103(8) 0.073(8) -0.005(7) -0.055(7) -0.013(7) C190 0.147(13) 0.087(8) 0.027(9) 0.005(7) -0.047(9) -0.044(8) C191 0.138(12) 0.098(13) 0.072(12) 0.000(11) -0.037(11) -0.059(10) C192 0.147(11) 0.102(10) 0.053(10) -0.022(9) -0.025(9) -0.037(10) O201 0.044(2) 0.032(2) 0.0274(18) 0.0020(15) 0.0099(16) -0.0079(16) O202 0.064(3) 0.036(2) 0.0265(19) -0.0055(16) 0.0171(18) -0.0210(19) O203 0.051(2) 0.029(2) 0.0300(19) -0.0021(16) 0.0002(17) -0.0132(17) O204 0.039(2) 0.0215(18) 0.047(2) 0.0011(16) -0.0082(19) -0.0061(16) N201 0.052(3) 0.068(3) 0.034(3) 0.009(2) 0.026(2) 0.002(3) N202 0.041(3) 0.049(3) 0.030(2) 0.000(2) 0.013(2) -0.005(2) N203 0.040(2) 0.034(2) 0.024(2) 0.0019(18) 0.0072(19) -0.006(2) N204 0.032(2) 0.026(2) 0.023(2) -0.0008(17) 0.0023(17) -0.0068(18) N205 0.039(2) 0.024(2) 0.024(2) -0.0005(17) 0.0023(18) -0.0048(18) N206 0.052(3) 0.019(2) 0.031(2) -0.0016(18) 0.000(2) -0.0017(19) N207 0.056(3) 0.021(2) 0.040(3) -0.0026(19) -0.009(2) -0.005(2) N208 0.082(4) 0.027(2) 0.054(3) -0.006(2) -0.030(3) -0.017(2) N209 0.062(3) 0.024(2) 0.057(3) -0.005(2) -0.022(3) -0.014(2) N210 0.049(3) 0.025(2) 0.044(3) 0.0013(19) -0.008(2) -0.014(2) N211 0.031(2) 0.027(2) 0.031(2) -0.0024(18) 0.0045(18) -0.0114(18) N212 0.037(2) 0.020(2) 0.045(3) 0.0018(19) 0.001(2) -0.0042(18) N213 0.068(3) 0.022(2) 0.046(3) 0.006(2) -0.006(3) -0.008(2) N214 0.103(5) 0.026(3) 0.053(3) 0.012(2) -0.002(3) -0.005(3) C201 0.075(9) 0.136(10) 0.098(10) -0.011(9) 0.057(8) 0.031(8) C202 0.092(9) 0.130(12) 0.048(6) -0.021(7) 0.026(6) -0.023(8) C203 0.093(10) 0.212(16) 0.101(11) -0.037(11) 0.055(8) -0.072(11) C251 0.11(2) 0.16(2) 0.056(16) 0.019(16) 0.045(14) 0.01(2) C252 0.067(11) 0.17(2) 0.104(18) 0.008(18) 0.043(11) 0.022(16) C253 0.15(2) 0.130(18) 0.09(2) -0.031(15) 0.046(18) 0.014(18) C204 0.079(5) 0.123(7) 0.057(4) -0.007(4) 0.040(4) 0.005(5) C205 0.053(4) 0.073(4) 0.048(4) -0.003(3) 0.022(3) 0.004(3) C206 0.049(4) 0.058(4) 0.041(3) 0.002(3) 0.018(3) 0.015(3) C207 0.038(3) 0.042(3) 0.029(3) -0.001(2) 0.009(2) -0.003(2) C208 0.030(3) 0.035(3) 0.024(2) 0.005(2) -0.001(2) -0.005(2) C209 0.027(3) 0.029(3) 0.023(2) 0.000(2) 0.006(2) -0.001(2) C210 0.031(3) 0.027(3) 0.028(3) 0.005(2) 0.000(2) -0.004(2) C211 0.027(3) 0.024(2) 0.023(2) -0.0022(19) -0.004(2) -0.005(2) C212 0.029(3) 0.026(2) 0.019(2) -0.0019(19) 0.004(2) -0.005(2) C213 0.033(3) 0.021(2) 0.023(2) 0.0033(19) -0.004(2) -0.004(2) C214 0.036(3) 0.026(3) 0.020(2) -0.0031(19) -0.001(2) -0.007(2) C215 0.035(3) 0.023(2) 0.029(3) -0.001(2) -0.002(2) 0.000(2) C216 0.042(3) 0.024(3) 0.032(3) 0.004(2) 0.000(2) -0.003(2) C217 0.033(3) 0.026(3) 0.041(3) 0.004(2) -0.008(2) 0.001(2) C218 0.068(4) 0.028(3) 0.055(4) 0.011(3) -0.010(3) -0.007(3) C219 0.127(11) 0.043(7) 0.045(8) 0.020(6) 0.005(8) 0.014(7) C220 0.128(13) 0.050(8) 0.060(7) 0.004(6) 0.042(8) -0.025(8) C221 0.155(14) 0.075(11) 0.114(13) 0.029(10) -0.032(12) -0.064(10) C269 0.074(8) 0.030(7) 0.065(10) 0.002(6) 0.021(7) -0.021(6) C270 0.127(14) 0.026(7) 0.100(12) -0.009(7) 0.046(10) -0.023(8) C271 0.123(14) 0.105(14) 0.104(13) 0.058(11) -0.062(12) -0.056(12) C222 0.072(5) 0.054(4) 0.058(4) -0.009(3) -0.003(4) -0.019(4) C223 0.224(12) 0.083(6) 0.066(5) 0.007(5) -0.036(7) -0.095(7) C224 0.099(6) 0.106(7) 0.056(5) -0.017(5) -0.019(5) 0.051(5) C225 0.091(5) 0.037(3) 0.043(3) -0.002(3) -0.026(3) -0.017(3) C226 0.063(4) 0.030(3) 0.050(3) -0.008(3) -0.024(3) -0.011(3) C227 0.047(3) 0.027(3) 0.047(3) -0.004(2) -0.012(3) -0.007(2) C228 0.045(3) 0.027(3) 0.047(3) -0.004(2) -0.021(3) -0.007(2) C229 0.033(3) 0.022(3) 0.036(3) -0.004(2) 0.003(2) -0.008(2) C230 0.030(3) 0.025(3) 0.032(3) -0.002(2) 0.009(2) -0.008(2) C231 0.033(3) 0.020(2) 0.031(3) 0.003(2) 0.001(2) -0.005(2) C232 0.029(3) 0.027(2) 0.027(2) -0.002(2) 0.005(2) -0.009(2) C233 0.033(3) 0.028(3) 0.027(2) 0.001(2) 0.001(2) -0.011(2) C234 0.025(3) 0.024(2) 0.037(3) 0.002(2) 0.003(2) -0.009(2) C235 0.027(3) 0.025(3) 0.038(3) 0.003(2) 0.004(2) -0.005(2) C236 0.045(3) 0.018(2) 0.052(3) 0.007(2) 0.005(3) -0.010(2) C237 0.051(4) 0.027(3) 0.113(6) 0.003(3) 0.012(4) -0.013(3) C238 0.078(5) 0.034(3) 0.093(5) -0.002(3) 0.025(4) -0.027(3) C239 0.143(7) 0.036(4) 0.143(8) 0.004(5) 0.053(6) -0.033(4) C240 0.114(13) 0.058(14) 0.27(2) -0.012(16) 0.093(15) -0.062(12) C241 0.20(2) 0.052(12) 0.167(13) 0.028(12) 0.102(15) -0.007(18) C242 0.152(14) 0.012(7) 0.097(17) 0.000(8) -0.016(12) -0.035(8) C290 0.187(15) 0.054(11) 0.107(19) 0.027(11) 0.029(12) -0.018(11) C291 0.102(13) 0.057(11) 0.216(18) -0.020(12) 0.054(13) -0.053(11) C292 0.090(15) 0.084(14) 0.155(13) 0.036(11) 0.045(12) -0.043(11) O301 0.044(2) 0.035(2) 0.041(2) -0.0147(17) 0.0088(18) -0.0171(17) O302 0.055(2) 0.048(2) 0.0307(19) -0.0146(17) 0.0135(18) -0.033(2) O303 0.043(2) 0.0256(18) 0.0310(19) -0.0027(15) 0.0076(16) -0.0103(16) O304 0.038(2) 0.0251(18) 0.0254(17) -0.0009(14) 0.0021(15) 0.0023(15) N301 0.043(3) 0.046(3) 0.061(3) -0.022(2) 0.005(2) -0.026(2) N302 0.039(3) 0.034(2) 0.048(3) -0.010(2) 0.003(2) -0.016(2) N303 0.036(2) 0.028(2) 0.043(3) -0.0056(19) 0.003(2) -0.0109(19) N304 0.030(2) 0.023(2) 0.028(2) -0.0045(17) 0.0014(18) -0.0083(17) N305 0.041(2) 0.041(2) 0.025(2) -0.0108(18) 0.0071(19) -0.025(2) N306 0.049(3) 0.042(3) 0.033(2) -0.010(2) 0.013(2) -0.024(2) N307 0.047(3) 0.052(3) 0.029(2) -0.015(2) 0.021(2) -0.021(2) N308 0.065(3) 0.035(3) 0.061(3) 0.011(2) 0.032(3) -0.012(2) N309 0.047(3) 0.030(2) 0.036(2) 0.0073(19) 0.009(2) -0.009(2) N310 0.043(3) 0.028(2) 0.027(2) 0.0031(18) 0.0079(19) -0.0090(19) N311 0.032(2) 0.027(2) 0.0184(19) 0.0010(16) 0.0006(17) -0.0014(18) N312 0.032(2) 0.029(2) 0.024(2) -0.0044(17) 0.0033(18) -0.0021(18) N313 0.057(3) 0.038(3) 0.028(2) -0.011(2) 0.011(2) 0.004(2) N314 0.077(4) 0.045(3) 0.028(2) -0.012(2) -0.001(2) 0.016(3) C301 0.130(8) 0.103(7) 0.140(9) -0.012(6) 0.043(7) -0.084(6) C302 0.062(5) 0.137(8) 0.170(10) -0.083(7) 0.063(6) -0.072(5) C303 0.067(6) 0.152(9) 0.132(8) -0.040(7) 0.019(5) -0.070(6) C304 0.062(4) 0.083(5) 0.095(5) -0.043(4) 0.026(4) -0.050(4) C305 0.048(4) 0.063(4) 0.071(4) -0.021(3) 0.015(3) -0.031(3) C306 0.048(3) 0.048(3) 0.064(4) -0.018(3) 0.021(3) -0.026(3) C307 0.032(3) 0.034(3) 0.045(3) -0.004(2) -0.001(2) -0.013(2) C308 0.029(3) 0.025(3) 0.038(3) 0.000(2) -0.001(2) -0.010(2) C309 0.032(3) 0.023(2) 0.027(2) 0.000(2) -0.002(2) -0.003(2) C310 0.027(3) 0.024(2) 0.026(2) -0.001(2) 0.000(2) -0.006(2) C311 0.028(3) 0.021(2) 0.024(2) 0.0003(19) 0.001(2) -0.005(2) C312 0.034(3) 0.023(2) 0.026(2) -0.0024(19) 0.000(2) -0.013(2) C313 0.034(3) 0.021(2) 0.024(2) -0.0014(19) 0.002(2) -0.006(2) C314 0.034(3) 0.028(3) 0.028(3) -0.004(2) 0.003(2) -0.012(2) C315 0.041(3) 0.039(3) 0.028(3) -0.011(2) 0.010(2) -0.018(2) C316 0.043(3) 0.044(3) 0.035(3) -0.011(2) 0.013(2) -0.020(3) C317 0.049(3) 0.056(4) 0.039(3) -0.019(3) 0.015(3) -0.022(3) C318 0.077(5) 0.077(5) 0.054(4) -0.037(3) 0.030(4) -0.036(4) C319 0.097(6) 0.114(7) 0.053(4) -0.033(5) 0.004(4) -0.040(5) C320 0.100(6) 0.091(6) 0.082(6) -0.054(5) 0.036(5) -0.034(5) C321 0.128(8) 0.144(8) 0.058(5) -0.043(5) 0.037(5) -0.075(7) C322 0.116(9) 0.033(6) 0.108(8) 0.020(6) 0.043(8) -0.015(6) C323 0.102(7) 0.047(6) 0.118(9) 0.017(6) 0.030(6) 0.004(6) C324 0.134(10) 0.046(6) 0.112(8) 0.004(6) 0.036(7) -0.045(7) C325 0.100(7) 0.035(5) 0.097(7) 0.002(5) 0.048(6) -0.015(5) C372 0.139(13) 0.037(9) 0.098(10) -0.012(8) 0.057(10) -0.043(10) C373 0.107(10) 0.046(11) 0.133(16) -0.013(11) 0.031(10) -0.026(9) C374 0.108(10) 0.038(8) 0.101(9) 0.010(8) 0.036(8) -0.014(9) C375 0.104(8) 0.029(6) 0.092(8) 0.002(6) 0.049(7) -0.019(6) C326 0.096(5) 0.032(3) 0.070(4) -0.002(3) 0.042(4) -0.014(3) C327 0.071(4) 0.030(3) 0.063(4) 0.002(3) 0.032(3) -0.011(3) C328 0.042(3) 0.033(3) 0.033(3) 0.013(2) 0.005(2) -0.006(2) C329 0.027(3) 0.026(3) 0.027(2) 0.003(2) 0.001(2) -0.002(2) C330 0.030(3) 0.022(2) 0.022(2) 0.0022(19) -0.002(2) -0.002(2) C331 0.031(3) 0.027(3) 0.019(2) -0.0034(19) -0.001(2) -0.004(2) C332 0.028(3) 0.025(2) 0.022(2) -0.0022(19) -0.003(2) -0.007(2) C333 0.033(3) 0.029(3) 0.017(2) -0.0010(19) -0.004(2) -0.004(2) C334 0.024(2) 0.028(3) 0.022(2) 0.000(2) 0.0002(19) -0.004(2) C335 0.033(3) 0.026(3) 0.023(2) -0.003(2) 0.000(2) -0.003(2) C336 0.035(3) 0.036(3) 0.024(2) -0.005(2) 0.003(2) 0.000(2) C337 0.052(4) 0.052(4) 0.030(3) -0.005(3) 0.004(3) 0.011(3) C338 0.072(4) 0.062(4) 0.028(3) -0.012(3) -0.003(3) 0.011(3) C339 0.098(5) 0.080(4) 0.036(3) -0.019(3) 0.002(3) 0.016(4) C340 0.098(6) 0.076(8) 0.041(6) -0.018(6) 0.005(5) 0.002(6) C341 0.119(9) 0.087(6) 0.041(5) -0.035(5) 0.013(7) -0.010(6) C342 0.088(8) 0.099(8) 0.021(5) -0.013(5) 0.003(6) 0.002(7) C390 0.104(9) 0.075(9) 0.035(8) -0.024(7) -0.019(9) 0.027(7) C391 0.093(12) 0.102(9) 0.041(8) -0.011(7) -0.002(10) 0.010(8) C392 0.105(8) 0.095(10) 0.050(8) -0.020(9) 0.007(8) 0.020(7) O401 0.055(3) 0.064(3) 0.029(2) 0.0186(19) -0.0081(18) -0.033(2) O402 0.050(2) 0.042(2) 0.0284(19) 0.0098(16) -0.0065(17) -0.0278(18) O403 0.0316(19) 0.039(2) 0.0250(17) 0.0013(15) 0.0016(15) -0.0122(16) O404 0.043(2) 0.039(2) 0.042(2) -0.0122(17) 0.0134(18) -0.0182(17) N401 0.058(3) 0.082(4) 0.028(2) 0.024(3) -0.010(2) -0.028(3) N402 0.058(3) 0.074(4) 0.033(3) 0.020(2) -0.012(2) -0.035(3) N403 0.051(3) 0.042(3) 0.028(2) 0.012(2) -0.008(2) -0.023(2) N404 0.040(2) 0.028(2) 0.022(2) 0.0024(17) -0.0001(18) -0.0096(19) N405 0.042(3) 0.038(3) 0.033(2) 0.0049(19) -0.006(2) -0.022(2) N406 0.043(3) 0.048(3) 0.038(3) 0.002(2) -0.005(2) -0.025(2) N407 0.047(3) 0.056(3) 0.048(3) -0.002(2) -0.003(2) -0.034(2) N408 0.045(3) 0.034(2) 0.031(2) -0.0060(19) -0.004(2) -0.013(2) N409 0.039(3) 0.024(2) 0.036(2) -0.0065(18) 0.003(2) -0.0092(19) N410 0.037(2) 0.036(2) 0.024(2) -0.0044(18) 0.0052(18) -0.016(2) N411 0.032(2) 0.025(2) 0.028(2) 0.0001(17) 0.0011(18) -0.0093(18) N412 0.044(3) 0.032(2) 0.034(2) -0.0080(19) 0.013(2) -0.016(2) N413 0.050(3) 0.052(3) 0.056(3) -0.016(2) 0.026(2) -0.035(2) N414 0.062(3) 0.057(3) 0.068(3) -0.018(3) 0.033(3) -0.043(3) C401 0.115(13) 0.086(8) 0.100(12) 0.038(8) -0.067(10) -0.030(8) C402 0.057(6) 0.107(12) 0.056(7) 0.003(8) -0.023(5) -0.021(7) C403 0.090(10) 0.137(12) 0.039(7) -0.015(7) -0.020(6) -0.024(8) C451 0.12(2) 0.129(18) 0.038(15) -0.021(14) -0.019(15) -0.027(16) C452 0.11(2) 0.107(19) 0.065(18) 0.058(15) -0.031(15) -0.019(16) C453 0.073(12) 0.10(2) 0.078(16) -0.001(16) -0.023(11) -0.016(14) C404 0.070(4) 0.070(4) 0.038(3) 0.007(3) -0.017(3) -0.021(4) C405 0.063(4) 0.054(4) 0.025(3) 0.004(3) -0.014(3) -0.021(3) C406 0.045(3) 0.052(4) 0.037(3) 0.008(3) -0.014(3) -0.017(3) C407 0.057(4) 0.043(3) 0.027(3) 0.008(2) -0.008(3) -0.020(3) C408 0.047(3) 0.042(3) 0.027(3) 0.011(2) -0.005(2) -0.018(3) C409 0.041(3) 0.031(3) 0.024(2) 0.006(2) -0.001(2) -0.011(2) C410 0.034(3) 0.034(3) 0.029(3) 0.005(2) 0.000(2) -0.015(2) C411 0.033(3) 0.026(2) 0.026(2) 0.000(2) 0.000(2) -0.011(2) C412 0.038(3) 0.030(3) 0.018(2) 0.001(2) 0.000(2) -0.014(2) C413 0.041(3) 0.026(3) 0.022(2) -0.001(2) 0.002(2) -0.013(2) C414 0.042(3) 0.029(3) 0.030(3) -0.002(2) 0.002(2) -0.016(2) C415 0.032(3) 0.037(3) 0.037(3) -0.002(2) 0.001(2) -0.012(2) C416 0.045(3) 0.044(3) 0.032(3) -0.002(2) -0.004(2) -0.021(3) C417 0.050(3) 0.053(3) 0.039(3) -0.009(3) 0.007(3) -0.028(3) C418 0.064(4) 0.068(4) 0.053(4) -0.012(3) 0.015(3) -0.043(3) C419 0.154(15) 0.108(12) 0.063(7) -0.013(8) 0.016(8) -0.105(11) C420 0.112(9) 0.081(8) 0.078(9) -0.022(7) 0.051(8) -0.068(7) C421 0.066(8) 0.089(11) 0.129(12) 0.061(9) -0.003(7) -0.040(7) C469 0.14(2) 0.12(2) 0.071(13) 0.003(14) 0.005(14) -0.083(17) C470 0.092(19) 0.053(13) 0.074(14) -0.001(11) 0.022(14) -0.048(12) C471 0.087(12) 0.087(16) 0.13(2) -0.027(18) 0.050(15) -0.038(12) C422 0.073(5) 0.175(9) 0.045(4) -0.039(5) 0.008(4) -0.057(6) C423 0.186(10) 0.095(6) 0.037(4) -0.011(4) 0.029(5) -0.075(6) C424 0.091(6) 0.094(6) 0.042(4) -0.012(4) 0.011(4) 0.007(5) C425 0.054(4) 0.056(4) 0.024(3) -0.009(3) 0.001(3) -0.016(3) C426 0.039(3) 0.033(3) 0.033(3) -0.007(2) 0.000(2) -0.003(2) C427 0.034(3) 0.044(3) 0.032(3) -0.005(2) 0.005(2) -0.013(2) C428 0.041(3) 0.020(2) 0.031(3) -0.001(2) -0.003(2) -0.007(2) C429 0.033(3) 0.021(2) 0.028(2) 0.000(2) -0.003(2) -0.005(2) C430 0.030(3) 0.022(2) 0.024(2) 0.0013(19) 0.001(2) -0.004(2) C431 0.034(3) 0.025(3) 0.029(3) -0.001(2) 0.003(2) -0.011(2) C432 0.035(3) 0.021(2) 0.023(2) -0.0010(19) 0.002(2) -0.010(2) C433 0.034(3) 0.027(3) 0.025(2) -0.002(2) 0.001(2) -0.009(2) C434 0.030(3) 0.021(2) 0.030(3) 0.000(2) -0.003(2) -0.005(2) C435 0.048(3) 0.028(3) 0.028(3) -0.003(2) 0.007(2) -0.016(2) C436 0.047(3) 0.039(3) 0.043(3) -0.004(2) 0.012(3) -0.022(3) C437 0.055(4) 0.035(3) 0.068(4) -0.008(3) 0.021(3) -0.023(3) C438 0.064(4) 0.052(4) 0.078(4) -0.017(3) 0.024(4) -0.037(3) C439 0.088(5) 0.066(4) 0.090(5) -0.009(4) 0.035(4) -0.053(4) C440 0.093(6) 0.040(4) 0.132(7) -0.006(4) 0.030(5) -0.039(4) C441 0.176(10) 0.135(9) 0.103(7) 0.018(6) 0.023(7) -0.116(8) C442 0.095(6) 0.084(6) 0.129(7) -0.033(5) 0.057(5) -0.064(5) C501 0.100(7) 0.108(8) 0.117(8) 0.036(6) -0.040(6) 0.002(6) Cl17 0.079(3) 0.132(4) 0.081(3) 0.028(3) 0.011(2) 0.014(3) Cl18 0.112(5) 0.161(6) 0.079(3) 0.004(3) -0.031(3) 0.037(4) Cl19 0.116(5) 0.103(5) 0.275(12) 0.065(6) -0.050(6) -0.037(4) Cl67 0.230(18) 0.32(2) 0.23(2) 0.076(16) -0.004(13) -0.053(13) Cl68 0.162(11) 0.182(12) 0.159(9) 0.008(8) -0.014(7) -0.047(9) Cl69 0.234(17) 0.211(13) 0.184(13) -0.045(10) -0.056(12) 0.006(11) _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 Cu1 Cl1 2.4164(18) . ? Cu1 Cl2 2.2743(18) . ? Cu1 O101 2.152(4) . ? Cu1 N102 1.959(5) . ? Cu1 N209 1.985(5) . ? Cu2 Cl3 2.2574(16) . ? Cu2 Cl4 2.4407(16) . ? Cu2 N106 1.989(5) . ? Cu2 O204 2.074(4) . ? Cu2 N213 1.963(6) . ? Cu3 Cl5 2.4475(17) . ? Cu3 Cl6 2.2680(15) . ? Cu3 O201 2.101(4) . ? Cu3 N202 1.946(4) . ? Cu3 N309 1.972(4) . ? Cu4 Cl7 2.4499(17) . ? Cu4 Cl8 2.2539(17) . ? Cu4 N206 1.974(4) . ? Cu4 O304 2.115(3) . ? Cu4 N313 1.957(5) . ? Cu5 Cl9 2.3712(16) . ? Cu5 Cl10 2.244(2) . ? Cu5 O301 2.193(4) . ? Cu5 N302 1.956(4) . ? Cu5 N409 1.974(4) . ? Cu6 Cl11 2.3949(17) . ? Cu6 Cl12 2.2497(17) . ? Cu6 N306 1.976(5) . ? Cu6 O404 2.126(4) . ? Cu6 N413 1.975(5) . ? Cu7 Cl13 2.485(2) . ? Cu7 Cl14 2.249(2) . ? Cu7 N109 1.977(5) . ? Cu7 O401 2.101(4) . ? Cu7 N402 1.928(5) . ? Cu8 Cl15 2.263(2) . ? Cu8 Cl16 2.4109(16) . ? Cu8 O104 2.111(4) . ? Cu8 N113 1.968(5) . ? Cu8 N406 1.960(5) . ? O101 C108 1.217(7) . ? O102 C114 1.216(6) . ? O103 C129 1.211(7) . ? O104 C135 1.242(6) . ? N101 H101 0.860 . ? N101 N102 1.360(6) . ? N101 C105 1.354(9) . ? N102 C107 1.336(8) . ? N103 H103 0.860 . ? N103 C107 1.383(7) . ? N103 C108 1.355(7) . ? N104 C109 1.340(7) . ? N104 C113 1.335(6) . ? N105 H105 0.860 . ? N105 C114 1.352(6) . ? N105 C115 1.393(7) . ? N106 N107 1.371(7) . ? N106 C115 1.330(7) . ? N107 H107 0.860 . ? N107 C117 1.324(8) . ? N108 H108 0.860 . ? N108 N109 1.362(7) . ? N108 C126 1.324(10) . ? N109 C128 1.327(7) . ? N110 H110 0.860 . ? N110 C128 1.386(7) . ? N110 C129 1.350(7) . ? N111 C130 1.327(7) . ? N111 C134 1.356(7) . ? N112 H112 0.860 . ? N112 C135 1.335(6) . ? N112 C136 1.405(8) . ? N113 N114 1.355(7) . ? N113 C136 1.312(8) . ? N114 H114 0.860 . ? N114 C138 1.357(8) . ? C101 H10A 0.960 . ? C101 H10B 0.960 . ? C101 H10C 0.960 . ? C101 C104 1.524(9) . ? C102 H10D 0.960 . ? C102 H10E 0.960 . ? C102 H10F 0.960 . ? C102 C104 1.532(9) . ? C103 H10G 0.960 . ? C103 H10H 0.960 . ? C103 H10I 0.960 . ? C103 C104 1.513(10) . ? C104 C105 1.528(7) . ? C105 C106 1.358(9) . ? C106 H106 0.930 . ? C106 C107 1.387(8) . ? C108 C109 1.492(7) . ? C109 C110 1.374(7) . ? C110 H11A 0.930 . ? C110 C111 1.388(7) . ? C111 C112 1.373(7) . ? C111 C132 1.492(6) . ? C112 H11B 0.930 . ? C112 C113 1.402(7) . ? C113 C114 1.504(7) . ? C115 C116 1.389(8) . ? C116 H116 0.930 . ? C116 C117 1.372(7) . ? C117 C118 1.509(7) . ? C118 C119 1.511(10) . ? C118 C120 1.524(10) . ? C118 C121 1.570(10) . ? C118 C169 1.488(11) . ? C118 C170 1.525(11) . ? C118 C171 1.557(11) . ? C119 H11C 0.960 . ? C119 H11D 0.960 . ? C119 H11E 0.960 . ? C120 H12A 0.960 . ? C120 H12B 0.960 . ? C120 H12C 0.960 . ? C121 H12D 0.960 . ? C121 H12E 0.960 . ? C121 H12F 0.960 . ? C169 H16A 0.960 . ? C169 H16B 0.960 . ? C169 H16C 0.960 . ? C170 H17A 0.960 . ? C170 H17B 0.960 . ? C170 H17C 0.960 . ? C171 H17D 0.960 . ? C171 H17E 0.960 . ? C171 H17F 0.960 . ? C122 H12G 0.960 . ? C122 H12H 0.960 . ? C122 H12I 0.960 . ? C122 C125 1.532(11) . ? C123 H12J 0.960 . ? C123 H12K 0.960 . ? C123 H12L 0.960 . ? C123 C125 1.520(12) . ? C124 H12M 0.960 . ? C124 H12N 0.960 . ? C124 H12O 0.960 . ? C124 C125 1.517(11) . ? C125 C126 1.535(10) . ? C172 H17G 0.960 . ? C172 H17H 0.960 . ? C172 H17I 0.960 . ? C172 C175 1.528(14) . ? C173 H17J 0.960 . ? C173 H17K 0.960 . ? C173 H17L 0.960 . ? C173 C175 1.530(14) . ? C174 H17M 0.960 . ? C174 H17N 0.960 . ? C174 H17O 0.960 . ? C174 C175 1.523(14) . ? C175 C126 1.526(14) . ? C126 C127 1.410(9) . ? C127 H127 0.930 . ? C127 C128 1.358(10) . ? C129 C130 1.510(7) . ? C130 C131 1.377(7) . ? C131 H131 0.930 . ? C131 C132 1.386(7) . ? C132 C133 1.389(7) . ? C133 H133 0.930 . ? C133 C134 1.384(7) . ? C134 C135 1.473(8) . ? C136 C137 1.389(8) . ? C137 H137 0.930 . ? C137 C138 1.354(9) . ? C138 C139 1.515(8) . ? C139 C140 1.501(10) . ? C139 C141 1.547(10) . ? C139 C142 1.526(10) . ? C139 C190 1.508(12) . ? C139 C191 1.536(13) . ? C139 C192 1.530(13) . ? C140 H14A 0.960 . ? C140 H14B 0.960 . ? C140 H14C 0.960 . ? C141 H14D 0.960 . ? C141 H14E 0.960 . ? C141 H14F 0.960 . ? C142 H14G 0.960 . ? C142 H14H 0.960 . ? C142 H14I 0.960 . ? C190 H19A 0.960 . ? C190 H19B 0.960 . ? C190 H19C 0.960 . ? C191 H19D 0.960 . ? C191 H19E 0.960 . ? C191 H19F 0.960 . ? C192 H19G 0.960 . ? C192 H19H 0.960 . ? C192 H19I 0.960 . ? O201 C208 1.231(6) . ? O202 C214 1.223(6) . ? O203 C229 1.223(6) . ? O204 C235 1.223(7) . ? N201 H201 0.860 . ? N201 N202 1.353(6) . ? N201 C205 1.320(8) . ? N202 C207 1.330(7) . ? N203 H203 0.860 . ? N203 C207 1.395(6) . ? N203 C208 1.344(7) . ? N204 C209 1.326(6) . ? N204 C213 1.341(6) . ? N205 H205 0.860 . ? N205 C214 1.355(6) . ? N205 C215 1.387(6) . ? N206 N207 1.343(6) . ? N206 C215 1.329(7) . ? N207 H207 0.860 . ? N207 C217 1.344(7) . ? N208 H208 0.860 . ? N208 N209 1.358(7) . ? N208 C226 1.339(7) . ? N209 C228 1.345(7) . ? N210 H210 0.860 . ? N210 C228 1.385(7) . ? N210 C229 1.363(7) . ? N211 C230 1.327(6) . ? N211 C234 1.343(7) . ? N212 H212 0.860 . ? N212 C235 1.346(7) . ? N212 C236 1.414(6) . ? N213 N214 1.390(7) . ? N213 C236 1.327(8) . ? N214 H214 0.860 . ? N214 C238 1.337(10) . ? C201 H20A 0.960 . ? C201 H20B 0.960 . ? C201 H20C 0.960 . ? C201 C204 1.511(11) . ? C202 H20D 0.960 . ? C202 H20E 0.960 . ? C202 H20F 0.960 . ? C202 C204 1.510(11) . ? C203 H20G 0.960 . ? C203 H20H 0.960 . ? C203 H20I 0.960 . ? C203 C204 1.565(11) . ? C251 H25A 0.960 . ? C251 H25B 0.960 . ? C251 H25C 0.960 . ? C251 C204 1.522(13) . ? C252 H25D 0.960 . ? C252 H25E 0.960 . ? C252 H25F 0.960 . ? C252 C204 1.516(13) . ? C253 H25G 0.960 . ? C253 H25H 0.960 . ? C253 H25I 0.960 . ? C253 C204 1.544(13) . ? C204 C205 1.520(7) . ? C205 C206 1.369(9) . ? C206 H206 0.930 . ? C206 C207 1.404(8) . ? C208 C209 1.506(6) . ? C209 C210 1.374(7) . ? C210 H21A 0.930 . ? C210 C211 1.398(7) . ? C211 C212 1.404(7) . ? C211 C232 1.470(7) . ? C212 H21B 0.930 . ? C212 C213 1.395(7) . ? C213 C214 1.496(7) . ? C215 C216 1.389(7) . ? C216 H216 0.930 . ? C216 C217 1.369(8) . ? C217 C218 1.519(7) . ? C218 C219 1.536(10) . ? C218 C220 1.562(10) . ? C218 C221 1.488(11) . ? C218 C269 1.548(10) . ? C218 C270 1.552(11) . ? C218 C271 1.494(11) . ? C219 H21C 0.960 . ? C219 H21D 0.960 . ? C219 H21E 0.960 . ? C220 H22A 0.960 . ? C220 H22B 0.960 . ? C220 H22C 0.960 . ? C221 H22D 0.960 . ? C221 H22E 0.960 . ? C221 H22F 0.960 . ? C269 H26A 0.960 . ? C269 H26B 0.960 . ? C269 H26C 0.960 . ? C270 H27A 0.960 . ? C270 H27B 0.960 . ? C270 H27C 0.960 . ? C271 H27D 0.960 . ? C271 H27E 0.960 . ? C271 H27F 0.960 . ? C222 H22G 0.960 . ? C222 H22H 0.960 . ? C222 H22I 0.960 . ? C222 C225 1.515(8) . ? C223 H22J 0.960 . ? C223 H22K 0.960 . ? C223 H22L 0.960 . ? C223 C225 1.515(9) . ? C224 H22M 0.960 . ? C224 H22N 0.960 . ? C224 H22O 0.960 . ? C224 C225 1.516(9) . ? C225 C226 1.511(7) . ? C226 C227 1.370(8) . ? C227 H227 0.930 . ? C227 C228 1.391(8) . ? C229 C230 1.490(8) . ? C230 C231 1.412(7) . ? C231 H231 0.930 . ? C231 C232 1.380(7) . ? C232 C233 1.395(7) . ? C233 H233 0.930 . ? C233 C234 1.372(7) . ? C234 C235 1.508(7) . ? C236 C237 1.382(9) . ? C237 H237 0.930 . ? C237 C238 1.333(10) . ? C238 C239 1.532(8) . ? C239 C240 1.512(13) . ? C239 C241 1.557(13) . ? C239 C242 1.538(12) . ? C239 C290 1.514(12) . ? C239 C291 1.570(13) . ? C239 C292 1.528(12) . ? C240 H24A 0.960 . ? C240 H24B 0.960 . ? C240 H24C 0.960 . ? C241 H24D 0.960 . ? C241 H24E 0.960 . ? C241 H24F 0.960 . ? C242 H24G 0.960 . ? C242 H24H 0.960 . ? C242 H24I 0.960 . ? C290 H29A 0.960 . ? C290 H29B 0.960 . ? C290 H29C 0.960 . ? C291 H29D 0.960 . ? C291 H29E 0.960 . ? C291 H29F 0.960 . ? C292 H29G 0.960 . ? C292 H29H 0.960 . ? C292 H29I 0.960 . ? O301 C308 1.243(6) . ? O302 C314 1.216(6) . ? O303 C329 1.215(6) . ? O304 C335 1.245(6) . ? N301 H301 0.860 . ? N301 N302 1.354(7) . ? N301 C305 1.331(8) . ? N302 C307 1.332(7) . ? N303 H303 0.860 . ? N303 C307 1.395(7) . ? N303 C308 1.336(6) . ? N304 C309 1.329(6) . ? N304 C313 1.346(7) . ? N305 H305 0.860 . ? N305 C314 1.336(6) . ? N305 C315 1.400(6) . ? N306 N307 1.359(6) . ? N306 C315 1.342(7) . ? N307 H307 0.860 . ? N307 C317 1.329(8) . ? N308 H308 0.860 . ? N308 N309 1.344(6) . ? N308 C326 1.333(8) . ? N309 C328 1.318(7) . ? N310 H310 0.860 . ? N310 C328 1.388(7) . ? N310 C329 1.359(6) . ? N311 C330 1.351(6) . ? N311 C334 1.320(6) . ? N312 H312 0.860 . ? N312 C335 1.328(6) . ? N312 C336 1.412(6) . ? N313 N314 1.355(6) . ? N313 C336 1.319(7) . ? N314 H314 0.860 . ? N314 C338 1.347(8) . ? C301 H30A 0.960 . ? C301 H30B 0.960 . ? C301 H30C 0.960 . ? C301 C304 1.534(9) . ? C302 H30D 0.960 . ? C302 H30E 0.960 . ? C302 H30F 0.960 . ? C302 C304 1.512(8) . ? C303 H30G 0.960 . ? C303 H30H 0.960 . ? C303 H30I 0.960 . ? C303 C304 1.519(10) . ? C304 C305 1.521(8) . ? C305 C306 1.384(9) . ? C306 H306 0.930 . ? C306 C307 1.388(8) . ? C308 C309 1.485(8) . ? C309 C310 1.385(7) . ? C310 H31A 0.930 . ? C310 C311 1.379(7) . ? C311 C312 1.402(7) . ? C311 C332 1.489(6) . ? C312 H31B 0.930 . ? C312 C313 1.387(7) . ? C313 C314 1.504(7) . ? C315 C316 1.387(8) . ? C316 H316 0.930 . ? C316 C317 1.373(7) . ? C317 C318 1.516(8) . ? C318 C319 1.552(9) . ? C318 C320 1.489(9) . ? C318 C321 1.530(8) . ? C319 H31C 0.960 . ? C319 H31D 0.960 . ? C319 H31E 0.960 . ? C320 H32A 0.960 . ? C320 H32B 0.960 . ? C320 H32C 0.960 . ? C321 H32D 0.960 . ? C321 H32E 0.960 . ? C321 H32F 0.960 . ? C322 H32G 0.960 . ? C322 H32H 0.960 . ? C322 H32I 0.960 . ? C322 C325 1.520(11) . ? C323 H32J 0.960 . ? C323 H32K 0.960 . ? C323 H32L 0.960 . ? C323 C325 1.530(12) . ? C324 H32M 0.960 . ? C324 H32N 0.960 . ? C324 H32O 0.960 . ? C324 C325 1.543(12) . ? C325 C326 1.537(10) . ? C372 H37A 0.960 . ? C372 H37B 0.960 . ? C372 H37C 0.960 . ? C372 C375 1.527(13) . ? C373 H37D 0.960 . ? C373 H37E 0.960 . ? C373 H37F 0.960 . ? C373 C375 1.516(13) . ? C374 H37G 0.960 . ? C374 H37H 0.960 . ? C374 H37I 0.960 . ? C374 C375 1.538(14) . ? C375 C326 1.531(13) . ? C326 C327 1.408(8) . ? C327 H327 0.930 . ? C327 C328 1.390(8) . ? C329 C330 1.505(7) . ? C330 C331 1.386(7) . ? C331 H331 0.930 . ? C331 C332 1.390(7) . ? C332 C333 1.383(7) . ? C333 H333 0.930 . ? C333 C334 1.391(7) . ? C334 C335 1.506(7) . ? C336 C337 1.387(8) . ? C337 H337 0.930 . ? C337 C338 1.364(8) . ? C338 C339 1.503(7) . ? C339 C340 1.578(11) . ? C339 C341 1.488(11) . ? C339 C342 1.505(10) . ? C339 C390 1.589(13) . ? C339 C391 1.507(12) . ? C339 C392 1.488(12) . ? C340 H34A 0.960 . ? C340 H34B 0.960 . ? C340 H34C 0.960 . ? C341 H34D 0.960 . ? C341 H34E 0.960 . ? C341 H34F 0.960 . ? C342 H34G 0.960 . ? C342 H34H 0.960 . ? C342 H34I 0.960 . ? C390 H39A 0.960 . ? C390 H39B 0.960 . ? C390 H39C 0.960 . ? C391 H39D 0.960 . ? C391 H39E 0.960 . ? C391 H39F 0.960 . ? C392 H39G 0.960 . ? C392 H39H 0.960 . ? C392 H39I 0.960 . ? O401 C408 1.237(7) . ? O402 C414 1.219(6) . ? O403 C429 1.229(6) . ? O404 C435 1.256(6) . ? N401 H401 0.860 . ? N401 N402 1.365(7) . ? N401 C405 1.319(8) . ? N402 C407 1.355(7) . ? N403 H403 0.860 . ? N403 C407 1.414(7) . ? N403 C408 1.328(7) . ? N404 C409 1.319(7) . ? N404 C413 1.349(6) . ? N405 H405 0.860 . ? N405 C414 1.342(7) . ? N405 C415 1.384(7) . ? N406 N407 1.353(6) . ? N406 C415 1.351(7) . ? N407 H407 0.860 . ? N407 C417 1.343(7) . ? N408 H408 0.860 . ? N408 N409 1.371(6) . ? N408 C426 1.319(7) . ? N409 C428 1.320(7) . ? N410 H410 0.860 . ? N410 C428 1.396(7) . ? N410 C429 1.351(7) . ? N411 C430 1.339(6) . ? N411 C434 1.351(6) . ? N412 H412 0.860 . ? N412 C435 1.318(7) . ? N412 C436 1.406(7) . ? N413 N414 1.361(6) . ? N413 C436 1.334(7) . ? N414 H414 0.860 . ? N414 C438 1.332(8) . ? C401 H40A 0.960 . ? C401 H40B 0.960 . ? C401 H40C 0.960 . ? C401 C404 1.517(10) . ? C402 H40D 0.960 . ? C402 H40E 0.960 . ? C402 H40F 0.960 . ? C402 C404 1.521(10) . ? C403 H40G 0.960 . ? C403 H40H 0.960 . ? C403 H40I 0.960 . ? C403 C404 1.515(10) . ? C451 H45A 0.960 . ? C451 H45B 0.960 . ? C451 H45C 0.960 . ? C451 C404 1.524(13) . ? C452 H45D 0.960 . ? C452 H45E 0.960 . ? C452 H45F 0.960 . ? C452 C404 1.545(13) . ? C453 H45G 0.960 . ? C453 H45H 0.960 . ? C453 H45I 0.960 . ? C453 C404 1.516(13) . ? C404 C405 1.514(7) . ? C405 C406 1.366(8) . ? C406 H406 0.930 . ? C406 C407 1.352(8) . ? C408 C409 1.505(7) . ? C409 C410 1.379(8) . ? C410 H41A 0.930 . ? C410 C411 1.389(7) . ? C411 C412 1.409(7) . ? C411 C432 1.471(7) . ? C412 H41B 0.930 . ? C412 C413 1.357(7) . ? C413 C414 1.514(7) . ? C415 C416 1.387(7) . ? C416 H416 0.930 . ? C416 C417 1.359(8) . ? C417 C418 1.520(7) . ? C418 C419 1.517(10) . ? C418 C420 1.517(9) . ? C418 C421 1.545(10) . ? C418 C469 1.518(13) . ? C418 C470 1.525(12) . ? C418 C471 1.512(13) . ? C419 H41C 0.960 . ? C419 H41D 0.960 . ? C419 H41E 0.960 . ? C420 H42A 0.960 . ? C420 H42B 0.960 . ? C420 H42C 0.960 . ? C421 H42D 0.960 . ? C421 H42E 0.960 . ? C421 H42F 0.960 . ? C469 H46A 0.960 . ? C469 H46B 0.960 . ? C469 H46C 0.960 . ? C470 H47A 0.960 . ? C470 H47B 0.960 . ? C470 H47C 0.960 . ? C471 H47D 0.960 . ? C471 H47E 0.960 . ? C471 H47F 0.960 . ? C422 H42G 0.960 . ? C422 H42H 0.960 . ? C422 H42I 0.960 . ? C422 C425 1.514(8) . ? C423 H42J 0.960 . ? C423 H42K 0.960 . ? C423 H42L 0.960 . ? C423 C425 1.515(8) . ? C424 H42M 0.960 . ? C424 H42N 0.960 . ? C424 H42O 0.960 . ? C424 C425 1.525(8) . ? C425 C426 1.511(6) . ? C426 C427 1.384(8) . ? C427 H427 0.930 . ? C427 C428 1.393(7) . ? C429 C430 1.495(7) . ? C430 C431 1.395(7) . ? C431 H431 0.930 . ? C431 C432 1.395(7) . ? C432 C433 1.390(7) . ? C433 H433 0.930 . ? C433 C434 1.374(7) . ? C434 C435 1.489(7) . ? C436 C437 1.390(8) . ? C437 H437 0.930 . ? C437 C438 1.380(8) . ? C438 C439 1.518(8) . ? C439 C440 1.521(9) . ? C439 C441 1.531(10) . ? C439 C442 1.521(9) . ? C440 H44A 0.960 . ? C440 H44B 0.960 . ? C440 H44C 0.960 . ? C441 H44D 0.960 . ? C441 H44E 0.960 . ? C441 H44F 0.960 . ? C442 H44G 0.960 . ? C442 H44H 0.960 . ? C442 H44I 0.960 . ? C501 H501 0.980 . ? C501 H502 0.980 . ? C501 Cl17 1.674(10) . ? C501 Cl18 1.813(11) . ? C501 Cl19 1.727(10) . ? C501 Cl67 1.713(13) . ? C501 Cl68 1.594(12) . ? C501 Cl69 1.796(12) . ? 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 Cl1 Cu1 Cl2 129.26(7) . . ? Cl1 Cu1 O101 105.03(11) . . ? Cl1 Cu1 N102 88.44(18) . . ? Cl1 Cu1 N209 96.11(16) . . ? Cl2 Cu1 O101 125.67(12) . . ? Cl2 Cu1 N102 95.51(17) . . ? Cl2 Cu1 N209 92.44(15) . . ? O101 Cu1 N102 82.54(18) . . ? O101 Cu1 N209 82.74(17) . . ? N102 Cu1 N209 165.3(2) . . ? Cl3 Cu2 Cl4 112.66(7) . . ? Cl3 Cu2 N106 93.20(13) . . ? Cl3 Cu2 O204 146.73(12) . . ? Cl3 Cu2 N213 95.31(15) . . ? Cl4 Cu2 N106 92.12(14) . . ? Cl4 Cu2 O204 100.60(11) . . ? Cl4 Cu2 N213 92.78(15) . . ? N106 Cu2 O204 86.16(16) . . ? N106 Cu2 N213 167.69(19) . . ? O204 Cu2 N213 81.85(17) . . ? Cl5 Cu3 Cl6 121.24(7) . . ? Cl5 Cu3 O201 101.82(11) . . ? Cl5 Cu3 N202 90.47(16) . . ? Cl5 Cu3 N309 93.91(15) . . ? Cl6 Cu3 O201 136.92(12) . . ? Cl6 Cu3 N202 95.09(14) . . ? Cl6 Cu3 N309 93.00(13) . . ? O201 Cu3 N202 82.21(16) . . ? O201 Cu3 N309 85.01(16) . . ? N202 Cu3 N309 167.1(2) . . ? Cl7 Cu4 Cl8 119.24(7) . . ? Cl7 Cu4 N206 94.22(15) . . ? Cl7 Cu4 O304 101.90(11) . . ? Cl7 Cu4 N313 90.67(17) . . ? Cl8 Cu4 N206 92.49(13) . . ? Cl8 Cu4 O304 138.83(13) . . ? Cl8 Cu4 N313 95.06(14) . . ? N206 Cu4 O304 85.70(15) . . ? N206 Cu4 N313 167.59(19) . . ? O304 Cu4 N313 82.13(15) . . ? Cl9 Cu5 Cl10 133.11(10) . . ? Cl9 Cu5 O301 104.30(11) . . ? Cl9 Cu5 N302 89.09(15) . . ? Cl9 Cu5 N409 94.10(13) . . ? Cl10 Cu5 O301 122.52(14) . . ? Cl10 Cu5 N302 95.04(15) . . ? Cl10 Cu5 N409 92.70(14) . . ? O301 Cu5 N302 81.39(16) . . ? O301 Cu5 N409 84.63(15) . . ? N302 Cu5 N409 166.02(18) . . ? Cl11 Cu6 Cl12 125.84(8) . . ? Cl11 Cu6 N306 93.12(14) . . ? Cl11 Cu6 O404 102.94(11) . . ? Cl11 Cu6 N413 91.98(17) . . ? Cl12 Cu6 N306 91.93(13) . . ? Cl12 Cu6 O404 131.22(13) . . ? Cl12 Cu6 N413 94.85(14) . . ? N306 Cu6 O404 84.80(17) . . ? N306 Cu6 N413 166.9(2) . . ? O404 Cu6 N413 82.29(17) . . ? Cl13 Cu7 Cl14 133.24(11) . . ? Cl13 Cu7 N109 92.00(18) . . ? Cl13 Cu7 O401 103.18(12) . . ? Cl13 Cu7 N402 88.97(18) . . ? Cl14 Cu7 N109 93.09(15) . . ? Cl14 Cu7 O401 123.57(16) . . ? Cl14 Cu7 N402 94.91(16) . . ? N109 Cu7 O401 84.78(19) . . ? N109 Cu7 N402 168.0(2) . . ? O401 Cu7 N402 83.40(18) . . ? Cl15 Cu8 Cl16 119.15(8) . . ? Cl15 Cu8 O104 138.76(12) . . ? Cl15 Cu8 N113 93.42(16) . . ? Cl15 Cu8 N406 93.19(15) . . ? Cl16 Cu8 O104 102.04(11) . . ? Cl16 Cu8 N113 93.04(16) . . ? Cl16 Cu8 N406 93.33(15) . . ? O104 Cu8 N113 81.71(17) . . ? O104 Cu8 N406 86.07(17) . . ? N113 Cu8 N406 167.2(2) . . ? Cu1 O101 C108 122.8(3) . . ? Cu8 O104 C135 126.1(3) . . ? H101 N101 N102 124.6 . . ? H101 N101 C105 124.6 . . ? N102 N101 C105 110.7(5) . . ? Cu1 N102 N101 125.9(4) . . ? Cu1 N102 C107 126.7(4) . . ? N101 N102 C107 105.8(5) . . ? H103 N103 C107 117.7 . . ? H103 N103 C108 117.7 . . ? C107 N103 C108 124.6(5) . . ? C109 N104 C113 117.9(4) . . ? H105 N105 C114 116.9 . . ? H105 N105 C115 116.9 . . ? C114 N105 C115 126.3(5) . . ? Cu2 N106 N107 122.6(3) . . ? Cu2 N106 C115 132.6(4) . . ? N107 N106 C115 104.7(5) . . ? N106 N107 H107 124.2 . . ? N106 N107 C117 111.7(4) . . ? H107 N107 C117 124.2 . . ? H108 N108 N109 123.5 . . ? H108 N108 C126 123.5 . . ? N109 N108 C126 113.0(5) . . ? Cu7 N109 N108 121.4(4) . . ? Cu7 N109 C128 131.4(4) . . ? N108 N109 C128 104.0(5) . . ? H110 N110 C128 117.5 . . ? H110 N110 C129 117.5 . . ? C128 N110 C129 125.1(5) . . ? C130 N111 C134 117.2(4) . . ? H112 N112 C135 117.9 . . ? H112 N112 C136 117.9 . . ? C135 N112 C136 124.1(5) . . ? Cu8 N113 N114 123.4(4) . . ? Cu8 N113 C136 130.5(4) . . ? N114 N113 C136 106.0(5) . . ? N113 N114 H114 124.7 . . ? N113 N114 C138 110.6(5) . . ? H114 N114 C138 124.7 . . ? H10A C101 H10B 109.5 . . ? H10A C101 H10C 109.5 . . ? H10A C101 C104 109.5 . . ? H10B C101 H10C 109.5 . . ? H10B C101 C104 109.5 . . ? H10C C101 C104 109.5 . . ? H10D C102 H10E 109.5 . . ? H10D C102 H10F 109.5 . . ? H10D C102 C104 109.5 . . ? H10E C102 H10F 109.5 . . ? H10E C102 C104 109.5 . . ? H10F C102 C104 109.5 . . ? H10G C103 H10H 109.5 . . ? H10G C103 H10I 109.5 . . ? H10G C103 C104 109.5 . . ? H10H C103 H10I 109.5 . . ? H10H C103 C104 109.5 . . ? H10I C103 C104 109.5 . . ? C101 C104 C102 109.8(7) . . ? C101 C104 C103 113.3(7) . . ? C101 C104 C105 108.5(6) . . ? C102 C104 C103 108.5(7) . . ? C102 C104 C105 107.3(6) . . ? C103 C104 C105 109.3(6) . . ? N101 C105 C104 122.7(6) . . ? N101 C105 C106 106.8(5) . . ? C104 C105 C106 130.3(6) . . ? C105 C106 H106 126.6 . . ? C105 C106 C107 106.8(6) . . ? H106 C106 C107 126.6 . . ? N102 C107 N103 123.3(5) . . ? N102 C107 C106 109.9(5) . . ? N103 C107 C106 126.7(6) . . ? O101 C108 N103 123.5(5) . . ? O101 C108 C109 120.0(4) . . ? N103 C108 C109 116.5(5) . . ? N104 C109 C108 119.1(4) . . ? N104 C109 C110 122.2(5) . . ? C108 C109 C110 118.6(5) . . ? C109 C110 H11A 119.9 . . ? C109 C110 C111 120.2(5) . . ? H11A C110 C111 119.9 . . ? C110 C111 C112 117.9(4) . . ? C110 C111 C132 118.9(4) . . ? C112 C111 C132 123.1(4) . . ? C111 C112 H11B 120.6 . . ? C111 C112 C113 118.8(5) . . ? H11B C112 C113 120.6 . . ? N104 C113 C112 122.8(5) . . ? N104 C113 C114 117.8(4) . . ? C112 C113 C114 119.3(5) . . ? O102 C114 N105 125.2(5) . . ? O102 C114 C113 122.1(4) . . ? N105 C114 C113 112.7(5) . . ? N105 C115 N106 119.2(5) . . ? N105 C115 C116 130.0(5) . . ? N106 C115 C116 110.8(5) . . ? C115 C116 H116 127.3 . . ? C115 C116 C117 105.5(5) . . ? H116 C116 C117 127.3 . . ? N107 C117 C116 107.3(5) . . ? N107 C117 C118 122.1(5) . . ? C116 C117 C118 130.6(6) . . ? C117 C118 C119 111.2(7) . . ? C117 C118 C120 110.7(7) . . ? C117 C118 C121 110.5(6) . . ? C117 C118 C169 108.4(7) . . ? C117 C118 C170 107.2(7) . . ? C117 C118 C171 106.8(7) . . ? C119 C118 C120 113.2(9) . . ? C119 C118 C121 105.3(9) . . ? C120 C118 C121 105.7(8) . . ? C169 C118 C170 115.4(11) . . ? C169 C118 C171 111.1(10) . . ? C170 C118 C171 107.6(10) . . ? C118 C119 H11C 109.5 . . ? C118 C119 H11D 109.5 . . ? C118 C119 H11E 109.5 . . ? H11C C119 H11D 109.5 . . ? H11C C119 H11E 109.5 . . ? H11D C119 H11E 109.5 . . ? C118 C120 H12A 109.5 . . ? C118 C120 H12B 109.5 . . ? C118 C120 H12C 109.5 . . ? H12A C120 H12B 109.5 . . ? H12A C120 H12C 109.5 . . ? H12B C120 H12C 109.5 . . ? C118 C121 H12D 109.5 . . ? C118 C121 H12E 109.5 . . ? C118 C121 H12F 109.5 . . ? H12D C121 H12E 109.5 . . ? H12D C121 H12F 109.5 . . ? H12E C121 H12F 109.5 . . ? C118 C169 H16A 109.5 . . ? C118 C169 H16B 109.5 . . ? C118 C169 H16C 109.5 . . ? H16A C169 H16B 109.5 . . ? H16A C169 H16C 109.5 . . ? H16B C169 H16C 109.5 . . ? C118 C170 H17A 109.5 . . ? C118 C170 H17B 109.5 . . ? C118 C170 H17C 109.5 . . ? H17A C170 H17B 109.5 . . ? H17A C170 H17C 109.5 . . ? H17B C170 H17C 109.5 . . ? C118 C171 H17D 109.5 . . ? C118 C171 H17E 109.5 . . ? C118 C171 H17F 109.5 . . ? H17D C171 H17E 109.5 . . ? H17D C171 H17F 109.5 . . ? H17E C171 H17F 109.5 . . ? H12G C122 H12H 109.5 . . ? H12G C122 H12I 109.5 . . ? H12G C122 C125 109.5 . . ? H12H C122 H12I 109.5 . . ? H12H C122 C125 109.5 . . ? H12I C122 C125 109.5 . . ? H12J C123 H12K 109.5 . . ? H12J C123 H12L 109.5 . . ? H12J C123 C125 109.5 . . ? H12K C123 H12L 109.5 . . ? H12K C123 C125 109.5 . . ? H12L C123 C125 109.5 . . ? H12M C124 H12N 109.5 . . ? H12M C124 H12O 109.5 . . ? H12M C124 C125 109.5 . . ? H12N C124 H12O 109.5 . . ? H12N C124 C125 109.5 . . ? H12O C124 C125 109.5 . . ? C122 C125 C123 107.8(9) . . ? C122 C125 C124 107.8(10) . . ? C122 C125 C126 110.9(8) . . ? C123 C125 C124 112.3(10) . . ? C123 C125 C126 104.2(9) . . ? C124 C125 C126 113.7(8) . . ? H17G C172 H17H 109.5 . . ? H17G C172 H17I 109.5 . . ? H17G C172 C175 109.5 . . ? H17H C172 H17I 109.5 . . ? H17H C172 C175 109.5 . . ? H17I C172 C175 109.5 . . ? H17J C173 H17K 109.5 . . ? H17J C173 H17L 109.5 . . ? H17J C173 C175 109.5 . . ? H17K C173 H17L 109.5 . . ? H17K C173 C175 109.5 . . ? H17L C173 C175 109.5 . . ? H17M C174 H17N 109.5 . . ? H17M C174 H17O 109.5 . . ? H17M C174 C175 109.5 . . ? H17N C174 H17O 109.5 . . ? H17N C174 C175 109.5 . . ? H17O C174 C175 109.5 . . ? C172 C175 C173 109.5(17) . . ? C172 C175 C174 107.3(16) . . ? C172 C175 C126 115.6(15) . . ? C173 C175 C174 109.2(17) . . ? C173 C175 C126 102.6(14) . . ? C174 C175 C126 112.4(14) . . ? N108 C126 C125 123.8(7) . . ? N108 C126 C175 116.6(10) . . ? N108 C126 C127 105.2(6) . . ? C125 C126 C127 130.6(8) . . ? C175 C126 C127 128.8(10) . . ? C126 C127 H127 127.3 . . ? C126 C127 C128 105.4(6) . . ? H127 C127 C128 127.3 . . ? N109 C128 N110 117.8(5) . . ? N109 C128 C127 112.3(5) . . ? N110 C128 C127 130.0(6) . . ? O103 C129 N110 124.7(5) . . ? O103 C129 C130 121.4(4) . . ? N110 C129 C130 113.9(5) . . ? N111 C130 C129 116.2(4) . . ? N111 C130 C131 123.8(5) . . ? C129 C130 C131 120.0(5) . . ? C130 C131 H131 120.3 . . ? C130 C131 C132 119.4(5) . . ? H131 C131 C132 120.3 . . ? C111 C132 C131 122.8(5) . . ? C111 C132 C133 120.1(4) . . ? C131 C132 C133 117.1(4) . . ? C132 C133 H133 119.9 . . ? C132 C133 C134 120.1(5) . . ? H133 C133 C134 119.9 . . ? N111 C134 C133 122.0(5) . . ? N111 C134 C135 118.4(4) . . ? C133 C134 C135 119.6(5) . . ? O104 C135 N112 122.8(5) . . ? O104 C135 C134 118.1(4) . . ? N112 C135 C134 119.1(5) . . ? N112 C136 N113 120.8(5) . . ? N112 C136 C137 128.4(6) . . ? N113 C136 C137 110.5(6) . . ? C136 C137 H137 126.9 . . ? C136 C137 C138 106.3(6) . . ? H137 C137 C138 126.9 . . ? N114 C138 C137 106.5(5) . . ? N114 C138 C139 120.0(6) . . ? C137 C138 C139 133.2(6) . . ? C138 C139 C140 108.8(6) . . ? C138 C139 C141 107.6(7) . . ? C138 C139 C142 110.2(7) . . ? C138 C139 C190 109.4(10) . . ? C138 C139 C191 109.2(11) . . ? C138 C139 C192 107.3(11) . . ? C140 C139 C141 108.2(8) . . ? C140 C139 C142 113.7(9) . . ? C141 C139 C142 108.0(8) . . ? C190 C139 C191 109.4(14) . . ? C190 C139 C192 111.4(14) . . ? C191 C139 C192 110.2(14) . . ? C139 C140 H14A 109.5 . . ? C139 C140 H14B 109.5 . . ? C139 C140 H14C 109.5 . . ? H14A C140 H14B 109.5 . . ? H14A C140 H14C 109.5 . . ? H14B C140 H14C 109.5 . . ? C139 C141 H14D 109.5 . . ? C139 C141 H14E 109.5 . . ? C139 C141 H14F 109.5 . . ? H14D C141 H14E 109.5 . . ? H14D C141 H14F 109.5 . . ? H14E C141 H14F 109.5 . . ? C139 C142 H14G 109.5 . . ? C139 C142 H14H 109.5 . . ? C139 C142 H14I 109.5 . . ? H14G C142 H14H 109.5 . . ? H14G C142 H14I 109.5 . . ? H14H C142 H14I 109.5 . . ? C139 C190 H19A 109.5 . . ? C139 C190 H19B 109.5 . . ? C139 C190 H19C 109.5 . . ? H19A C190 H19B 109.5 . . ? H19A C190 H19C 109.5 . . ? H19B C190 H19C 109.5 . . ? C139 C191 H19D 109.5 . . ? C139 C191 H19E 109.5 . . ? C139 C191 H19F 109.5 . . ? H19D C191 H19E 109.5 . . ? H19D C191 H19F 109.5 . . ? H19E C191 H19F 109.5 . . ? C139 C192 H19G 109.5 . . ? C139 C192 H19H 109.5 . . ? C139 C192 H19I 109.5 . . ? H19G C192 H19H 109.5 . . ? H19G C192 H19I 109.5 . . ? H19H C192 H19I 109.5 . . ? Cu3 O201 C208 124.4(3) . . ? Cu2 O204 C235 124.4(3) . . ? H201 N201 N202 124.0 . . ? H201 N201 C205 124.0 . . ? N202 N201 C205 112.0(5) . . ? Cu3 N202 N201 126.7(4) . . ? Cu3 N202 C207 128.1(3) . . ? N201 N202 C207 105.2(4) . . ? H203 N203 C207 118.8 . . ? H203 N203 C208 118.8 . . ? C207 N203 C208 122.4(4) . . ? C209 N204 C213 116.2(4) . . ? H205 N205 C214 117.6 . . ? H205 N205 C215 117.6 . . ? C214 N205 C215 124.9(4) . . ? Cu4 N206 N207 122.8(3) . . ? Cu4 N206 C215 130.5(3) . . ? N207 N206 C215 105.6(4) . . ? N206 N207 H207 124.4 . . ? N206 N207 C217 111.2(4) . . ? H207 N207 C217 124.4 . . ? H208 N208 N209 123.3 . . ? H208 N208 C226 123.3 . . ? N209 N208 C226 113.3(5) . . ? Cu1 N209 N208 119.5(4) . . ? Cu1 N209 C228 128.4(4) . . ? N208 N209 C228 103.7(4) . . ? H210 N210 C228 118.0 . . ? H210 N210 C229 118.0 . . ? C228 N210 C229 123.9(5) . . ? C230 N211 C234 116.6(4) . . ? H212 N212 C235 119.2 . . ? H212 N212 C236 119.2 . . ? C235 N212 C236 121.6(5) . . ? Cu2 N213 N214 130.0(5) . . ? Cu2 N213 C236 127.8(4) . . ? N214 N213 C236 102.2(5) . . ? N213 N214 H214 124.0 . . ? N213 N214 C238 112.0(6) . . ? H214 N214 C238 124.0 . . ? H20A C201 H20B 109.5 . . ? H20A C201 H20C 109.5 . . ? H20A C201 C204 109.5 . . ? H20B C201 H20C 109.5 . . ? H20B C201 C204 109.5 . . ? H20C C201 C204 109.5 . . ? H20D C202 H20E 109.5 . . ? H20D C202 H20F 109.5 . . ? H20D C202 C204 109.5 . . ? H20E C202 H20F 109.5 . . ? H20E C202 C204 109.5 . . ? H20F C202 C204 109.5 . . ? H20G C203 H20H 109.5 . . ? H20G C203 H20I 109.5 . . ? H20G C203 C204 109.5 . . ? H20H C203 H20I 109.5 . . ? H20H C203 C204 109.5 . . ? H20I C203 C204 109.5 . . ? H25A C251 H25B 109.5 . . ? H25A C251 H25C 109.5 . . ? H25A C251 C204 109.5 . . ? H25B C251 H25C 109.5 . . ? H25B C251 C204 109.5 . . ? H25C C251 C204 109.5 . . ? H25D C252 H25E 109.5 . . ? H25D C252 H25F 109.5 . . ? H25D C252 C204 109.5 . . ? H25E C252 H25F 109.5 . . ? H25E C252 C204 109.5 . . ? H25F C252 C204 109.5 . . ? H25G C253 H25H 109.5 . . ? H25G C253 H25I 109.5 . . ? H25G C253 C204 109.5 . . ? H25H C253 H25I 109.5 . . ? H25H C253 C204 109.5 . . ? H25I C253 C204 109.5 . . ? C201 C204 C202 115.0(10) . . ? C201 C204 C203 107.3(10) . . ? C201 C204 C205 109.5(6) . . ? C202 C204 C203 104.8(9) . . ? C202 C204 C205 110.6(8) . . ? C203 C204 C205 109.5(8) . . ? C251 C204 C252 113.1(16) . . ? C251 C204 C253 107.3(16) . . ? C251 C204 C205 109.1(12) . . ? C252 C204 C253 110.9(16) . . ? C252 C204 C205 110.7(12) . . ? C253 C204 C205 105.4(12) . . ? N201 C205 C204 120.8(6) . . ? N201 C205 C206 107.7(5) . . ? C204 C205 C206 131.3(6) . . ? C205 C206 H206 127.6 . . ? C205 C206 C207 104.8(5) . . ? H206 C206 C207 127.6 . . ? N202 C207 N203 122.5(5) . . ? N202 C207 C206 110.3(5) . . ? N203 C207 C206 127.1(5) . . ? O201 C208 N203 123.5(4) . . ? O201 C208 C209 118.8(4) . . ? N203 C208 C209 117.7(4) . . ? N204 C209 C208 117.4(4) . . ? N204 C209 C210 124.9(4) . . ? C208 C209 C210 117.7(4) . . ? C209 C210 H21A 120.2 . . ? C209 C210 C211 119.6(4) . . ? H21A C210 C211 120.2 . . ? C210 C211 C212 116.2(4) . . ? C210 C211 C232 121.0(4) . . ? C212 C211 C232 122.8(4) . . ? C211 C212 H21B 120.3 . . ? C211 C212 C213 119.3(4) . . ? H21B C212 C213 120.3 . . ? N204 C213 C212 123.6(4) . . ? N204 C213 C214 117.9(4) . . ? C212 C213 C214 118.5(4) . . ? O202 C214 N205 124.3(5) . . ? O202 C214 C213 122.1(4) . . ? N205 C214 C213 113.6(4) . . ? N205 C215 N206 118.3(4) . . ? N205 C215 C216 130.7(5) . . ? N206 C215 C216 111.0(5) . . ? C215 C216 H216 127.6 . . ? C215 C216 C217 104.8(5) . . ? H216 C216 C217 127.6 . . ? N207 C217 C216 107.4(4) . . ? N207 C217 C218 122.1(5) . . ? C216 C217 C218 130.5(5) . . ? C217 C218 C219 110.3(7) . . ? C217 C218 C220 106.9(6) . . ? C217 C218 C221 109.9(7) . . ? C217 C218 C269 107.3(6) . . ? C217 C218 C270 108.6(7) . . ? C217 C218 C271 110.9(8) . . ? C219 C218 C220 103.1(8) . . ? C219 C218 C221 112.3(10) . . ? C220 C218 C221 114.0(11) . . ? C269 C218 C270 105.5(9) . . ? C269 C218 C271 115.2(11) . . ? C270 C218 C271 109.0(11) . . ? C218 C219 H21C 109.5 . . ? C218 C219 H21D 109.5 . . ? C218 C219 H21E 109.5 . . ? H21C C219 H21D 109.5 . . ? H21C C219 H21E 109.5 . . ? H21D C219 H21E 109.5 . . ? C218 C220 H22A 109.5 . . ? C218 C220 H22B 109.5 . . ? C218 C220 H22C 109.5 . . ? H22A C220 H22B 109.5 . . ? H22A C220 H22C 109.5 . . ? H22B C220 H22C 109.5 . . ? C218 C221 H22D 109.5 . . ? C218 C221 H22E 109.5 . . ? C218 C221 H22F 109.5 . . ? H22D C221 H22E 109.5 . . ? H22D C221 H22F 109.5 . . ? H22E C221 H22F 109.5 . . ? C218 C269 H26A 109.5 . . ? C218 C269 H26B 109.5 . . ? C218 C269 H26C 109.5 . . ? H26A C269 H26B 109.5 . . ? H26A C269 H26C 109.5 . . ? H26B C269 H26C 109.5 . . ? C218 C270 H27A 109.5 . . ? C218 C270 H27B 109.5 . . ? C218 C270 H27C 109.5 . . ? H27A C270 H27B 109.5 . . ? H27A C270 H27C 109.5 . . ? H27B C270 H27C 109.5 . . ? C218 C271 H27D 109.5 . . ? C218 C271 H27E 109.5 . . ? C218 C271 H27F 109.5 . . ? H27D C271 H27E 109.5 . . ? H27D C271 H27F 109.5 . . ? H27E C271 H27F 109.5 . . ? H22G C222 H22H 109.5 . . ? H22G C222 H22I 109.5 . . ? H22G C222 C225 109.5 . . ? H22H C222 H22I 109.5 . . ? H22H C222 C225 109.5 . . ? H22I C222 C225 109.5 . . ? H22J C223 H22K 109.5 . . ? H22J C223 H22L 109.5 . . ? H22J C223 C225 109.5 . . ? H22K C223 H22L 109.5 . . ? H22K C223 C225 109.5 . . ? H22L C223 C225 109.5 . . ? H22M C224 H22N 109.5 . . ? H22M C224 H22O 109.5 . . ? H22M C224 C225 109.5 . . ? H22N C224 H22O 109.5 . . ? H22N C224 C225 109.5 . . ? H22O C224 C225 109.5 . . ? C222 C225 C223 110.6(7) . . ? C222 C225 C224 107.8(6) . . ? C222 C225 C226 112.0(5) . . ? C223 C225 C224 109.4(7) . . ? C223 C225 C226 108.3(5) . . ? C224 C225 C226 108.7(6) . . ? N208 C226 C225 122.7(5) . . ? N208 C226 C227 105.9(5) . . ? C225 C226 C227 131.3(5) . . ? C226 C227 H227 126.9 . . ? C226 C227 C228 106.2(5) . . ? H227 C227 C228 126.9 . . ? N209 C228 N210 117.5(5) . . ? N209 C228 C227 110.9(5) . . ? N210 C228 C227 131.4(5) . . ? O203 C229 N210 123.2(5) . . ? O203 C229 C230 121.5(5) . . ? N210 C229 C230 115.3(4) . . ? N211 C230 C229 118.3(4) . . ? N211 C230 C231 123.2(5) . . ? C229 C230 C231 118.4(4) . . ? C230 C231 H231 120.7 . . ? C230 C231 C232 118.6(4) . . ? H231 C231 C232 120.7 . . ? C211 C232 C231 120.5(4) . . ? C211 C232 C233 121.3(4) . . ? C231 C232 C233 118.2(5) . . ? C232 C233 H233 120.8 . . ? C232 C233 C234 118.4(5) . . ? H233 C233 C234 120.8 . . ? N211 C234 C233 124.6(4) . . ? N211 C234 C235 117.8(5) . . ? C233 C234 C235 117.6(5) . . ? O204 C235 N212 124.2(5) . . ? O204 C235 C234 118.3(5) . . ? N212 C235 C234 117.4(5) . . ? N212 C236 N213 121.1(5) . . ? N212 C236 C237 126.4(6) . . ? N213 C236 C237 112.4(5) . . ? C236 C237 H237 126.9 . . ? C236 C237 C238 106.3(7) . . ? H237 C237 C238 126.9 . . ? N214 C238 C237 107.1(6) . . ? N214 C238 C239 121.8(7) . . ? C237 C238 C239 130.7(8) . . ? C238 C239 C240 111.4(13) . . ? C238 C239 C241 103.5(12) . . ? C238 C239 C242 108.8(11) . . ? C238 C239 C290 110.7(13) . . ? C238 C239 C291 105.5(11) . . ? C238 C239 C292 105.9(9) . . ? C240 C239 C241 113.3(14) . . ? C240 C239 C242 113.2(14) . . ? C241 C239 C242 105.9(13) . . ? C290 C239 C291 113.7(14) . . ? C290 C239 C292 114.1(13) . . ? C291 C239 C292 106.3(12) . . ? C239 C240 H24A 109.5 . . ? C239 C240 H24B 109.5 . . ? C239 C240 H24C 109.5 . . ? H24A C240 H24B 109.5 . . ? H24A C240 H24C 109.5 . . ? H24B C240 H24C 109.5 . . ? C239 C241 H24D 109.5 . . ? C239 C241 H24E 109.5 . . ? C239 C241 H24F 109.5 . . ? H24D C241 H24E 109.5 . . ? H24D C241 H24F 109.5 . . ? H24E C241 H24F 109.5 . . ? C239 C242 H24G 109.5 . . ? C239 C242 H24H 109.5 . . ? C239 C242 H24I 109.5 . . ? H24G C242 H24H 109.5 . . ? H24G C242 H24I 109.5 . . ? H24H C242 H24I 109.5 . . ? C239 C290 H29A 109.5 . . ? C239 C290 H29B 109.5 . . ? C239 C290 H29C 109.5 . . ? H29A C290 H29B 109.5 . . ? H29A C290 H29C 109.5 . . ? H29B C290 H29C 109.5 . . ? C239 C291 H29D 109.5 . . ? C239 C291 H29E 109.5 . . ? C239 C291 H29F 109.5 . . ? H29D C291 H29E 109.5 . . ? H29D C291 H29F 109.5 . . ? H29E C291 H29F 109.5 . . ? C239 C292 H29G 109.5 . . ? C239 C292 H29H 109.5 . . ? C239 C292 H29I 109.5 . . ? H29G C292 H29H 109.5 . . ? H29G C292 H29I 109.5 . . ? H29H C292 H29I 109.5 . . ? Cu5 O301 C308 121.0(3) . . ? Cu4 O304 C335 123.5(3) . . ? H301 N301 N302 123.7 . . ? H301 N301 C305 123.7 . . ? N302 N301 C305 112.7(5) . . ? Cu5 N302 N301 125.8(4) . . ? Cu5 N302 C307 127.7(4) . . ? N301 N302 C307 104.1(4) . . ? H303 N303 C307 117.0 . . ? H303 N303 C308 117.0 . . ? C307 N303 C308 126.0(5) . . ? C309 N304 C313 117.2(4) . . ? H305 N305 C314 117.2 . . ? H305 N305 C315 117.2 . . ? C314 N305 C315 125.5(5) . . ? Cu6 N306 N307 122.3(3) . . ? Cu6 N306 C315 133.3(4) . . ? N307 N306 C315 103.7(4) . . ? N306 N307 H307 123.6 . . ? N306 N307 C317 112.8(4) . . ? H307 N307 C317 123.6 . . ? H308 N308 N309 123.8 . . ? H308 N308 C326 123.8 . . ? N309 N308 C326 112.4(4) . . ? Cu3 N309 N308 121.1(3) . . ? Cu3 N309 C328 129.5(4) . . ? N308 N309 C328 105.4(4) . . ? H310 N310 C328 117.7 . . ? H310 N310 C329 117.7 . . ? C328 N310 C329 124.6(5) . . ? C330 N311 C334 116.6(4) . . ? H312 N312 C335 118.4 . . ? H312 N312 C336 118.4 . . ? C335 N312 C336 123.2(4) . . ? Cu4 N313 N314 126.7(4) . . ? Cu4 N313 C336 128.4(3) . . ? N314 N313 C336 104.8(4) . . ? N313 N314 H314 124.2 . . ? N313 N314 C338 111.5(5) . . ? H314 N314 C338 124.2 . . ? H30A C301 H30B 109.5 . . ? H30A C301 H30C 109.5 . . ? H30A C301 C304 109.5 . . ? H30B C301 H30C 109.5 . . ? H30B C301 C304 109.5 . . ? H30C C301 C304 109.5 . . ? H30D C302 H30E 109.5 . . ? H30D C302 H30F 109.5 . . ? H30D C302 C304 109.5 . . ? H30E C302 H30F 109.5 . . ? H30E C302 C304 109.5 . . ? H30F C302 C304 109.5 . . ? H30G C303 H30H 109.5 . . ? H30G C303 H30I 109.5 . . ? H30G C303 C304 109.5 . . ? H30H C303 H30I 109.5 . . ? H30H C303 C304 109.5 . . ? H30I C303 C304 109.5 . . ? C301 C304 C302 109.8(7) . . ? C301 C304 C303 109.5(7) . . ? C301 C304 C305 108.5(6) . . ? C302 C304 C303 111.6(7) . . ? C302 C304 C305 108.7(5) . . ? C303 C304 C305 108.7(6) . . ? N301 C305 C304 123.3(6) . . ? N301 C305 C306 106.7(5) . . ? C304 C305 C306 129.9(6) . . ? C305 C306 H306 127.7 . . ? C305 C306 C307 104.6(5) . . ? H306 C306 C307 127.7 . . ? N302 C307 N303 122.2(5) . . ? N302 C307 C306 111.8(5) . . ? N303 C307 C306 126.0(5) . . ? O301 C308 N303 122.7(5) . . ? O301 C308 C309 119.5(4) . . ? N303 C308 C309 117.8(5) . . ? N304 C309 C308 118.4(4) . . ? N304 C309 C310 122.9(5) . . ? C308 C309 C310 118.8(4) . . ? C309 C310 H31A 119.8 . . ? C309 C310 C311 120.4(5) . . ? H31A C310 C311 119.8 . . ? C310 C311 C312 117.2(4) . . ? C310 C311 C332 119.6(4) . . ? C312 C311 C332 123.2(4) . . ? C311 C312 H31B 120.7 . . ? C311 C312 C313 118.6(5) . . ? H31B C312 C313 120.7 . . ? N304 C313 C312 123.7(4) . . ? N304 C313 C314 117.5(4) . . ? C312 C313 C314 118.9(5) . . ? O302 C314 N305 125.2(5) . . ? O302 C314 C313 121.0(4) . . ? N305 C314 C313 113.8(5) . . ? N305 C315 N306 118.2(5) . . ? N305 C315 C316 130.4(5) . . ? N306 C315 C316 111.4(4) . . ? C315 C316 H316 127.4 . . ? C315 C316 C317 105.3(5) . . ? H316 C316 C317 127.4 . . ? N307 C317 C316 106.8(5) . . ? N307 C317 C318 122.3(5) . . ? C316 C317 C318 130.6(6) . . ? C317 C318 C319 107.5(5) . . ? C317 C318 C320 109.7(6) . . ? C317 C318 C321 110.3(6) . . ? C319 C318 C320 110.4(7) . . ? C319 C318 C321 106.4(7) . . ? C320 C318 C321 112.4(6) . . ? C318 C319 H31C 109.5 . . ? C318 C319 H31D 109.5 . . ? C318 C319 H31E 109.5 . . ? H31C C319 H31D 109.5 . . ? H31C C319 H31E 109.5 . . ? H31D C319 H31E 109.5 . . ? C318 C320 H32A 109.5 . . ? C318 C320 H32B 109.5 . . ? C318 C320 H32C 109.5 . . ? H32A C320 H32B 109.5 . . ? H32A C320 H32C 109.5 . . ? H32B C320 H32C 109.5 . . ? C318 C321 H32D 109.5 . . ? C318 C321 H32E 109.5 . . ? C318 C321 H32F 109.5 . . ? H32D C321 H32E 109.5 . . ? H32D C321 H32F 109.5 . . ? H32E C321 H32F 109.5 . . ? H32G C322 H32H 109.5 . . ? H32G C322 H32I 109.5 . . ? H32G C322 C325 109.5 . . ? H32H C322 H32I 109.5 . . ? H32H C322 C325 109.5 . . ? H32I C322 C325 109.5 . . ? H32J C323 H32K 109.5 . . ? H32J C323 H32L 109.5 . . ? H32J C323 C325 109.5 . . ? H32K C323 H32L 109.5 . . ? H32K C323 C325 109.5 . . ? H32L C323 C325 109.5 . . ? H32M C324 H32N 109.5 . . ? H32M C324 H32O 109.5 . . ? H32M C324 C325 109.5 . . ? H32N C324 H32O 109.5 . . ? H32N C324 C325 109.5 . . ? H32O C324 C325 109.5 . . ? C322 C325 C323 108.8(10) . . ? C322 C325 C324 110.8(11) . . ? C322 C325 C326 110.4(8) . . ? C323 C325 C324 110.7(11) . . ? C323 C325 C326 114.5(9) . . ? C324 C325 C326 101.5(9) . . ? H37A C372 H37B 109.5 . . ? H37A C372 H37C 109.5 . . ? H37A C372 C375 109.5 . . ? H37B C372 H37C 109.5 . . ? H37B C372 C375 109.5 . . ? H37C C372 C375 109.5 . . ? H37D C373 H37E 109.5 . . ? H37D C373 H37F 109.5 . . ? H37D C373 C375 109.5 . . ? H37E C373 H37F 109.5 . . ? H37E C373 C375 109.5 . . ? H37F C373 C375 109.5 . . ? H37G C374 H37H 109.5 . . ? H37G C374 H37I 109.5 . . ? H37G C374 C375 109.5 . . ? H37H C374 H37I 109.5 . . ? H37H C374 C375 109.5 . . ? H37I C374 C375 109.5 . . ? C372 C375 C373 112.1(15) . . ? C372 C375 C374 108.4(15) . . ? C372 C375 C326 110.0(13) . . ? C373 C375 C374 106.4(14) . . ? C373 C375 C326 116.8(13) . . ? C374 C375 C326 102.3(12) . . ? N308 C326 C325 122.8(6) . . ? N308 C326 C375 120.7(8) . . ? N308 C326 C327 106.3(5) . . ? C325 C326 C327 128.1(6) . . ? C375 C326 C327 130.1(8) . . ? C326 C327 H327 128.0 . . ? C326 C327 C328 103.9(5) . . ? H327 C327 C328 128.0 . . ? N309 C328 N310 118.7(5) . . ? N309 C328 C327 111.9(5) . . ? N310 C328 C327 129.4(5) . . ? O303 C329 N310 125.0(5) . . ? O303 C329 C330 121.3(4) . . ? N310 C329 C330 113.6(4) . . ? N311 C330 C329 117.1(4) . . ? N311 C330 C331 123.6(4) . . ? C329 C330 C331 119.3(4) . . ? C330 C331 H331 120.8 . . ? C330 C331 C332 118.4(4) . . ? H331 C331 C332 120.8 . . ? C311 C332 C331 121.1(4) . . ? C311 C332 C333 120.6(4) . . ? C331 C332 C333 118.2(4) . . ? C332 C333 H333 120.6 . . ? C332 C333 C334 118.7(5) . . ? H333 C333 C334 120.6 . . ? N311 C334 C333 124.0(4) . . ? N311 C334 C335 117.8(4) . . ? C333 C334 C335 118.2(4) . . ? O304 C335 N312 123.9(4) . . ? O304 C335 C334 118.9(4) . . ? N312 C335 C334 117.1(4) . . ? N312 C336 N313 121.9(4) . . ? N312 C336 C337 126.3(5) . . ? N313 C336 C337 111.7(5) . . ? C336 C337 H337 127.4 . . ? C336 C337 C338 105.2(5) . . ? H337 C337 C338 127.4 . . ? N314 C338 C337 106.9(5) . . ? N314 C338 C339 122.4(5) . . ? C337 C338 C339 130.7(6) . . ? C338 C339 C340 106.9(7) . . ? C338 C339 C341 112.5(7) . . ? C338 C339 C342 110.1(7) . . ? C338 C339 C390 102.5(8) . . ? C338 C339 C391 110.6(12) . . ? C338 C339 C392 113.3(9) . . ? C340 C339 C341 106.6(8) . . ? C340 C339 C342 109.3(9) . . ? C341 C339 C342 111.3(10) . . ? C390 C339 C391 108.0(13) . . ? C390 C339 C392 103.2(12) . . ? C391 C339 C392 117.7(13) . . ? C339 C340 H34A 109.5 . . ? C339 C340 H34B 109.5 . . ? C339 C340 H34C 109.5 . . ? H34A C340 H34B 109.5 . . ? H34A C340 H34C 109.5 . . ? H34B C340 H34C 109.5 . . ? C339 C341 H34D 109.5 . . ? C339 C341 H34E 109.5 . . ? C339 C341 H34F 109.5 . . ? H34D C341 H34E 109.5 . . ? H34D C341 H34F 109.5 . . ? H34E C341 H34F 109.5 . . ? C339 C342 H34G 109.5 . . ? C339 C342 H34H 109.5 . . ? C339 C342 H34I 109.5 . . ? H34G C342 H34H 109.5 . . ? H34G C342 H34I 109.5 . . ? H34H C342 H34I 109.5 . . ? C339 C390 H39A 109.5 . . ? C339 C390 H39B 109.5 . . ? C339 C390 H39C 109.5 . . ? H39A C390 H39B 109.5 . . ? H39A C390 H39C 109.5 . . ? H39B C390 H39C 109.5 . . ? C339 C391 H39D 109.5 . . ? C339 C391 H39E 109.5 . . ? C339 C391 H39F 109.5 . . ? H39D C391 H39E 109.5 . . ? H39D C391 H39F 109.5 . . ? H39E C391 H39F 109.5 . . ? C339 C392 H39G 109.5 . . ? C339 C392 H39H 109.5 . . ? C339 C392 H39I 109.5 . . ? H39G C392 H39H 109.5 . . ? H39G C392 H39I 109.5 . . ? H39H C392 H39I 109.5 . . ? Cu7 O401 C408 123.7(4) . . ? Cu6 O404 C435 122.4(4) . . ? H401 N401 N402 124.0 . . ? H401 N401 C405 124.0 . . ? N402 N401 C405 112.1(5) . . ? Cu7 N402 N401 127.1(4) . . ? Cu7 N402 C407 129.4(4) . . ? N401 N402 C407 102.5(5) . . ? H403 N403 C407 117.3 . . ? H403 N403 C408 117.3 . . ? C407 N403 C408 125.3(5) . . ? C409 N404 C413 117.0(5) . . ? H405 N405 C414 117.2 . . ? H405 N405 C415 117.2 . . ? C414 N405 C415 125.5(4) . . ? Cu8 N406 N407 123.9(4) . . ? Cu8 N406 C415 131.6(4) . . ? N407 N406 C415 104.0(4) . . ? N406 N407 H407 123.7 . . ? N406 N407 C417 112.6(5) . . ? H407 N407 C417 123.7 . . ? H408 N408 N409 123.7 . . ? H408 N408 C426 123.7 . . ? N409 N408 C426 112.6(5) . . ? Cu5 N409 N408 122.7(4) . . ? Cu5 N409 C428 131.3(4) . . ? N408 N409 C428 103.8(4) . . ? H410 N410 C428 117.8 . . ? H410 N410 C429 117.8 . . ? C428 N410 C429 124.4(4) . . ? C430 N411 C434 116.7(4) . . ? H412 N412 C435 118.1 . . ? H412 N412 C436 118.1 . . ? C435 N412 C436 123.9(5) . . ? Cu6 N413 N414 128.9(4) . . ? Cu6 N413 C436 126.5(4) . . ? N414 N413 C436 104.7(5) . . ? N413 N414 H414 124.1 . . ? N413 N414 C438 111.7(5) . . ? H414 N414 C438 124.1 . . ? H40A C401 H40B 109.5 . . ? H40A C401 H40C 109.5 . . ? H40A C401 C404 109.5 . . ? H40B C401 H40C 109.5 . . ? H40B C401 C404 109.5 . . ? H40C C401 C404 109.5 . . ? H40D C402 H40E 109.5 . . ? H40D C402 H40F 109.5 . . ? H40D C402 C404 109.5 . . ? H40E C402 H40F 109.5 . . ? H40E C402 C404 109.5 . . ? H40F C402 C404 109.5 . . ? H40G C403 H40H 109.5 . . ? H40G C403 H40I 109.5 . . ? H40G C403 C404 109.5 . . ? H40H C403 H40I 109.5 . . ? H40H C403 C404 109.5 . . ? H40I C403 C404 109.5 . . ? H45A C451 H45B 109.5 . . ? H45A C451 H45C 109.5 . . ? H45A C451 C404 109.5 . . ? H45B C451 H45C 109.5 . . ? H45B C451 C404 109.5 . . ? H45C C451 C404 109.5 . . ? H45D C452 H45E 109.5 . . ? H45D C452 H45F 109.5 . . ? H45D C452 C404 109.5 . . ? H45E C452 H45F 109.5 . . ? H45E C452 C404 109.5 . . ? H45F C452 C404 109.5 . . ? H45G C453 H45H 109.5 . . ? H45G C453 H45I 109.5 . . ? H45G C453 C404 109.5 . . ? H45H C453 H45I 109.5 . . ? H45H C453 C404 109.5 . . ? H45I C453 C404 109.5 . . ? C401 C404 C402 108.3(9) . . ? C401 C404 C403 110.7(9) . . ? C401 C404 C405 108.8(7) . . ? C402 C404 C403 109.5(9) . . ? C402 C404 C405 109.1(6) . . ? C403 C404 C405 110.3(7) . . ? C451 C404 C452 106.6(14) . . ? C451 C404 C453 111.5(15) . . ? C451 C404 C405 110.3(13) . . ? C452 C404 C453 109.2(14) . . ? C452 C404 C405 108.2(12) . . ? C453 C404 C405 110.8(12) . . ? N401 C405 C404 121.6(5) . . ? N401 C405 C406 107.8(5) . . ? C404 C405 C406 130.6(6) . . ? C405 C406 H406 127.5 . . ? C405 C406 C407 105.1(5) . . ? H406 C406 C407 127.5 . . ? N402 C407 N403 119.9(5) . . ? N402 C407 C406 112.5(5) . . ? N403 C407 C406 127.6(5) . . ? O401 C408 N403 124.5(5) . . ? O401 C408 C409 117.9(5) . . ? N403 C408 C409 117.5(5) . . ? N404 C409 C408 117.9(5) . . ? N404 C409 C410 123.7(4) . . ? C408 C409 C410 118.4(5) . . ? C409 C410 H41A 120.2 . . ? C409 C410 C411 119.6(5) . . ? H41A C410 C411 120.2 . . ? C410 C411 C412 116.4(5) . . ? C410 C411 C432 119.8(4) . . ? C412 C411 C432 123.6(4) . . ? C411 C412 H41B 120.2 . . ? C411 C412 C413 119.6(4) . . ? H41B C412 C413 120.2 . . ? N404 C413 C412 123.6(5) . . ? N404 C413 C414 116.3(5) . . ? C412 C413 C414 120.2(4) . . ? O402 C414 N405 124.8(5) . . ? O402 C414 C413 120.9(5) . . ? N405 C414 C413 114.3(4) . . ? N405 C415 N406 117.6(5) . . ? N405 C415 C416 131.8(5) . . ? N406 C415 C416 110.6(5) . . ? C415 C416 H416 126.8 . . ? C415 C416 C417 106.3(5) . . ? H416 C416 C417 126.8 . . ? N407 C417 C416 106.5(5) . . ? N407 C417 C418 122.8(5) . . ? C416 C417 C418 130.7(5) . . ? C417 C418 C419 111.0(7) . . ? C417 C418 C420 110.1(6) . . ? C417 C418 C421 109.2(6) . . ? C417 C418 C469 107.7(13) . . ? C417 C418 C470 108.4(10) . . ? C417 C418 C471 108.6(11) . . ? C419 C418 C420 110.5(9) . . ? C419 C418 C421 109.5(9) . . ? C420 C418 C421 106.5(8) . . ? C469 C418 C470 108.1(14) . . ? C469 C418 C471 114.9(15) . . ? C470 C418 C471 109.0(14) . . ? C418 C419 H41C 109.5 . . ? C418 C419 H41D 109.5 . . ? C418 C419 H41E 109.5 . . ? H41C C419 H41D 109.5 . . ? H41C C419 H41E 109.5 . . ? H41D C419 H41E 109.5 . . ? C418 C420 H42A 109.5 . . ? C418 C420 H42B 109.5 . . ? C418 C420 H42C 109.5 . . ? H42A C420 H42B 109.5 . . ? H42A C420 H42C 109.5 . . ? H42B C420 H42C 109.5 . . ? C418 C421 H42D 109.5 . . ? C418 C421 H42E 109.5 . . ? C418 C421 H42F 109.5 . . ? H42D C421 H42E 109.5 . . ? H42D C421 H42F 109.5 . . ? H42E C421 H42F 109.5 . . ? C418 C469 H46A 109.5 . . ? C418 C469 H46B 109.5 . . ? C418 C469 H46C 109.5 . . ? H46A C469 H46B 109.5 . . ? H46A C469 H46C 109.5 . . ? H46B C469 H46C 109.5 . . ? C418 C470 H47A 109.5 . . ? C418 C470 H47B 109.5 . . ? C418 C470 H47C 109.5 . . ? H47A C470 H47B 109.5 . . ? H47A C470 H47C 109.5 . . ? H47B C470 H47C 109.5 . . ? C418 C471 H47D 109.5 . . ? C418 C471 H47E 109.5 . . ? C418 C471 H47F 109.5 . . ? H47D C471 H47E 109.5 . . ? H47D C471 H47F 109.5 . . ? H47E C471 H47F 109.5 . . ? H42G C422 H42H 109.5 . . ? H42G C422 H42I 109.5 . . ? H42G C422 C425 109.5 . . ? H42H C422 H42I 109.5 . . ? H42H C422 C425 109.5 . . ? H42I C422 C425 109.5 . . ? H42J C423 H42K 109.5 . . ? H42J C423 H42L 109.5 . . ? H42J C423 C425 109.5 . . ? H42K C423 H42L 109.5 . . ? H42K C423 C425 109.5 . . ? H42L C423 C425 109.5 . . ? H42M C424 H42N 109.5 . . ? H42M C424 H42O 109.5 . . ? H42M C424 C425 109.5 . . ? H42N C424 H42O 109.5 . . ? H42N C424 C425 109.5 . . ? H42O C424 C425 109.5 . . ? C422 C425 C423 111.7(6) . . ? C422 C425 C424 108.8(6) . . ? C422 C425 C426 111.0(5) . . ? C423 C425 C424 108.2(7) . . ? C423 C425 C426 108.7(5) . . ? C424 C425 C426 108.4(5) . . ? N408 C426 C425 122.8(5) . . ? N408 C426 C427 107.0(4) . . ? C425 C426 C427 130.2(5) . . ? C426 C427 H427 127.8 . . ? C426 C427 C428 104.4(5) . . ? H427 C427 C428 127.8 . . ? N409 C428 N410 117.7(5) . . ? N409 C428 C427 112.1(5) . . ? N410 C428 C427 130.1(5) . . ? O403 C429 N410 124.6(5) . . ? O403 C429 C430 121.4(5) . . ? N410 C429 C430 114.0(4) . . ? N411 C430 C429 117.5(5) . . ? N411 C430 C431 123.7(4) . . ? C429 C430 C431 118.8(4) . . ? C430 C431 H431 120.7 . . ? C430 C431 C432 118.5(5) . . ? H431 C431 C432 120.7 . . ? C411 C432 C431 120.8(4) . . ? C411 C432 C433 121.4(4) . . ? C431 C432 C433 117.6(5) . . ? C432 C433 H433 120.1 . . ? C432 C433 C434 119.7(4) . . ? H433 C433 C434 120.1 . . ? N411 C434 C433 123.3(5) . . ? N411 C434 C435 116.8(5) . . ? C433 C434 C435 119.8(4) . . ? O404 C435 N412 123.8(5) . . ? O404 C435 C434 117.3(5) . . ? N412 C435 C434 118.9(4) . . ? N412 C436 N413 121.9(5) . . ? N412 C436 C437 126.4(5) . . ? N413 C436 C437 111.5(5) . . ? C436 C437 H437 127.7 . . ? C436 C437 C438 104.6(5) . . ? H437 C437 C438 127.7 . . ? N414 C438 C437 107.5(5) . . ? N414 C438 C439 122.8(5) . . ? C437 C438 C439 129.4(6) . . ? C438 C439 C440 108.8(5) . . ? C438 C439 C441 106.5(6) . . ? C438 C439 C442 111.3(6) . . ? C440 C439 C441 110.0(7) . . ? C440 C439 C442 112.0(7) . . ? C441 C439 C442 108.0(7) . . ? C439 C440 H44A 109.5 . . ? C439 C440 H44B 109.5 . . ? C439 C440 H44C 109.5 . . ? H44A C440 H44B 109.5 . . ? H44A C440 H44C 109.5 . . ? H44B C440 H44C 109.5 . . ? C439 C441 H44D 109.5 . . ? C439 C441 H44E 109.5 . . ? C439 C441 H44F 109.5 . . ? H44D C441 H44E 109.5 . . ? H44D C441 H44F 109.5 . . ? H44E C441 H44F 109.5 . . ? C439 C442 H44G 109.5 . . ? C439 C442 H44H 109.5 . . ? C439 C442 H44I 109.5 . . ? H44G C442 H44H 109.5 . . ? H44G C442 H44I 109.5 . . ? H44H C442 H44I 109.5 . . ? H501 C501 Cl17 109.4 . . ? H501 C501 Cl18 109.4 . . ? H501 C501 Cl19 109.4 . . ? H501 C501 Cl67 99.2 . . ? H501 C501 Cl68 108.2 . . ? H501 C501 Cl69 104.0 . . ? H502 C501 Cl17 114.4 . . ? H502 C501 Cl18 107.5 . . ? H502 C501 Cl19 105.9 . . ? H502 C501 Cl67 103.9 . . ? H502 C501 Cl68 103.9 . . ? H502 C501 Cl69 103.9 . . ? Cl17 C501 Cl18 105.0(6) . . ? Cl17 C501 Cl19 118.1(7) . . ? Cl18 C501 Cl19 105.2(6) . . ? Cl67 C501 Cl68 122.5(11) . . ? Cl67 C501 Cl69 106.6(10) . . ? Cl68 C501 Cl69 114.0(9) . . ? 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 N101 H101 Cl2 0.86 3.00 3.370(6) 108.5 . N103 H103 Cl4 0.86 2.40 3.200(5) 155.1 . N105 H105 Cl4 0.86 2.42 3.174(5) 146.1 . N107 H107 Cl3 0.86 2.64 3.116(6) 116.0 . N108 H108 Cl14 0.86 2.50 3.023(6) 120.0 . N110 H110 Cl13 0.86 2.39 3.185(5) 153.6 . N112 H112 Cl13 0.86 2.45 3.276(5) 162.5 . N114 H114 Cl15 0.86 2.61 3.086(6) 116.2 . N201 H201 Cl6 0.86 2.76 3.213(5) 114.5 . N203 H203 Cl7 0.86 2.38 3.191(4) 158.1 . N205 H205 Cl7 0.86 2.37 3.163(4) 152.9 . N207 H207 Cl8 0.86 2.58 3.075(5) 117.8 . N208 H208 Cl2 0.86 2.55 3.069(5) 119.7 . N210 H210 Cl1 0.86 2.36 3.167(4) 156.1 . N212 H212 Cl1 0.86 2.50 3.315(5) 158.9 . N214 H214 Cl3 0.86 2.85 3.287(8) 113.1 . N301 H301 Cl10 0.86 3.00 3.365(5) 107.6 . N303 H303 Cl11 0.86 2.47 3.272(5) 155.6 . N305 H305 Cl11 0.86 2.43 3.201(5) 149.1 . N307 H307 Cl12 0.86 2.48 3.011(5) 120.5 . N308 H308 Cl6 0.86 2.56 3.077(5) 119.7 . N310 H310 Cl5 0.86 2.38 3.180(4) 154.1 . N312 H312 Cl5 0.86 2.43 3.247(4) 159.5 . N314 H314 Cl8 0.86 2.77 3.218(5) 114.3 . N401 H401 Cl14 0.86 2.99 3.341(6) 106.4 . N403 H403 Cl16 0.86 2.41 3.212(5) 155.6 . N405 H405 Cl16 0.86 2.39 3.166(5) 150.4 . N407 H407 Cl15 0.86 2.60 3.101(5) 118.0 . N408 H408 Cl10 0.86 2.53 3.040(5) 119.2 . N410 H410 Cl9 0.86 2.33 3.125(4) 153.1 . N412 H412 Cl9 0.86 2.46 3.274(5) 157.0 . N414 H414 Cl12 0.86 2.86 3.278(6) 111.8 . _diffrn_measured_fraction_theta_max 0.946 _diffrn_reflns_theta_full 24.77 _diffrn_measured_fraction_theta_full 0.946 _refine_diff_density_max 2.455 _refine_diff_density_min -1.251 _refine_diff_density_rms 0.100 # Contents of RES file _computing_special_details ; TITL NilooJune19th in P-1 CELL 0.71073 21.5918 24.0051 27.3864 83.750 85.664 69.107 ZERR 2.00 0.0015 0.0017 0.0019 0.004 0.004 0.003 LATT 1 SFAC C H N O Cl Cu UNIT 336 416 112 32 32 16 SIZE 0.10 0.40 0.70 TEMP 0 L.S. 12 ACTA BOND $H FMAP 2 PLAN 10 SIMU 0.02 $C $N $O DELU 0.02 $C $N $O SIMU 0.01 C122 > C175 DELU 0.01 C122 > C175 SIMU 0.01 C139 > C192 DELU 0.01 C139 > C192 SIMU 0.01 C339 > C392 DELU 0.01 C339 > C392 SIMU 0.01 C322 > C375 DELU 0.01 C322 > C375 ISOR 0.02 C390 C391 C392 SIMU 0.02 C501 > CL69 DELU 0.02 C501 > CL69 HTAB N101 CL2 HTAB N103 CL4 HTAB N105 CL4 HTAB N107 CL3 HTAB N108 CL14 HTAB N110 CL13 HTAB N112 CL13 HTAB N114 CL15 HTAB N201 CL6 HTAB N203 CL7 HTAB N205 CL7 HTAB N207 CL8 HTAB N208 CL2 HTAB N210 CL1 HTAB N212 CL1 HTAB N214 CL3 HTAB N301 CL10 HTAB N303 CL11 HTAB N305 CL11 HTAB N307 CL12 HTAB N308 CL6 HTAB N310 CL5 HTAB N312 CL5 HTAB N314 CL8 HTAB N401 CL14 HTAB N403 CL16 HTAB N405 CL16 HTAB N407 CL15 HTAB N408 CL10 HTAB N410 CL9 HTAB N412 CL9 HTAB N414 CL12 rem EXTI insignificant WGHT 0.127900 12.700000 FVAR 1.61778 0.60536 0.72503 0.71390 0.71779 0.54093 0.45529 FVAR 0.64326 0.63026 0.70057 0.69371 0.60819 CU1 6 0.242744 -0.200178 0.130221 11.00000 0.06114 0.02241 = 0.06335 -0.00346 -0.02208 -0.01191 CU2 6 0.414991 -0.230314 0.366222 11.00000 0.05687 0.02677 = 0.04117 0.00483 -0.01224 -0.00449 CU3 6 0.169368 0.022895 0.566495 11.00000 0.04593 0.03727 = 0.02847 0.00646 0.01294 -0.00636 CU4 6 0.119668 0.339865 0.464880 11.00000 0.04944 0.02636 = 0.02658 -0.00509 -0.00272 0.00188 CU5 6 0.504468 0.361615 0.367080 11.00000 0.03789 0.02849 = 0.04330 -0.00896 0.00392 -0.01264 CU6 6 0.615723 0.218513 0.128783 11.00000 0.05009 0.04246 = 0.04531 -0.01251 0.02197 -0.02450 CU7 6 0.278382 0.318825 -0.058480 11.00000 0.05734 0.08064 = 0.03450 0.02832 -0.00675 -0.03394 CU8 6 0.036968 0.172738 0.040842 11.00000 0.04584 0.05033 = 0.03416 0.00087 -0.00799 -0.02209 CL1 5 0.189311 -0.198652 0.211096 11.00000 0.05174 0.03176 = 0.06357 0.00348 -0.01153 -0.01919 CL2 5 0.236212 -0.249561 0.065585 11.00000 0.07254 0.03747 = 0.07532 -0.01798 -0.01882 -0.01306 CL3 5 0.475388 -0.300757 0.422457 11.00000 0.07989 0.03761 = 0.06998 0.01987 -0.03341 -0.01384 CL4 5 0.465922 -0.241091 0.283497 11.00000 0.05177 0.03335 = 0.04106 -0.00538 -0.00667 0.00159 CL5 5 0.242399 0.078243 0.577309 11.00000 0.04655 0.03623 = 0.02719 0.00459 0.00225 -0.00779 CL6 5 0.140953 -0.033084 0.630227 11.00000 0.06684 0.06085 = 0.04819 0.01360 0.02199 -0.01743 CL7 5 0.042341 0.286393 0.462554 11.00000 0.03977 0.03495 = 0.03661 -0.00414 0.00558 -0.00506 CL8 5 0.080512 0.435291 0.484783 11.00000 0.10565 0.03289 = 0.05338 -0.01221 0.01172 0.00433 CL9 5 0.471731 0.407069 0.287350 11.00000 0.05146 0.02521 = 0.05218 -0.00303 0.00931 -0.01591 CL10 5 0.537301 0.392692 0.431595 11.00000 0.05141 0.16714 = 0.13412 -0.11797 0.02205 -0.04756 CL11 5 0.658583 0.177034 0.208043 11.00000 0.04440 0.04710 = 0.04901 -0.00908 0.00441 -0.02175 CL12 5 0.676188 0.216219 0.057933 11.00000 0.11003 0.05978 = 0.08777 -0.02655 0.06962 -0.04563 CL13 5 0.289444 0.216093 -0.075677 11.00000 0.07101 0.09599 = 0.02975 0.00568 0.00008 -0.03834 CL14 5 0.288949 0.397784 -0.105856 11.00000 0.09620 0.14888 = 0.12394 0.09989 -0.04490 -0.07288 CL15 5 -0.050613 0.151429 0.019023 11.00000 0.08524 0.14910 = 0.05057 -0.00663 -0.00806 -0.08081 CL16 5 0.023668 0.275337 0.049325 11.00000 0.04760 0.04012 = 0.04170 0.00654 -0.00855 -0.01362 O101 4 0.303550 -0.146331 0.131972 11.00000 0.04789 0.02160 = 0.04105 -0.00351 -0.01470 -0.01028 O102 4 0.421602 -0.007815 0.296810 11.00000 0.05490 0.03364 = 0.02891 -0.00029 -0.00597 -0.01885 O103 4 0.425642 0.177992 0.089244 11.00000 0.04330 0.03840 = 0.03939 0.00553 0.00097 -0.02059 O104 4 0.138259 0.127662 0.055204 11.00000 0.04013 0.03605 = 0.02847 0.00051 -0.00646 -0.01560 N101 3 0.333545 -0.323246 0.159630 11.00000 0.06825 0.01925 = 0.10234 0.00067 -0.02486 -0.01696 AFIX 43 H101 2 0.312217 -0.339560 0.144146 11.00000 -1.20000 AFIX 0 N102 3 0.321315 -0.263415 0.157228 11.00000 0.05938 0.01630 = 0.07787 0.00549 -0.02136 -0.00999 N103 3 0.366982 -0.201740 0.194502 11.00000 0.04489 0.02400 = 0.03831 0.00006 -0.00539 -0.01125 AFIX 43 H103 2 0.388508 -0.200182 0.219180 11.00000 -1.20000 AFIX 0 N104 3 0.377506 -0.098605 0.222193 11.00000 0.03254 0.02219 = 0.03064 -0.00137 -0.00191 -0.00897 N105 3 0.433682 -0.106682 0.306722 11.00000 0.04269 0.02965 = 0.03084 -0.00314 -0.00806 -0.01059 AFIX 43 H105 2 0.428299 -0.134579 0.292240 11.00000 -1.20000 AFIX 0 N106 3 0.456475 -0.171693 0.378927 11.00000 0.04503 0.03261 = 0.03173 0.00733 -0.01272 -0.00618 N107 3 0.487086 -0.174975 0.421759 11.00000 0.04391 0.04332 = 0.03249 0.01178 -0.01186 -0.00584 AFIX 43 H107 2 0.491575 -0.202786 0.445277 11.00000 -1.20000 AFIX 0 N108 3 0.408606 0.326302 -0.046345 11.00000 0.06021 0.08933 = 0.08861 0.06260 -0.01919 -0.04616 AFIX 43 H108 2 0.400456 0.355546 -0.068911 11.00000 -1.20000 AFIX 0 N109 3 0.370601 0.291386 -0.036860 11.00000 0.04843 0.06982 = 0.05294 0.03035 -0.00824 -0.03555 N110 3 0.373606 0.208783 0.016978 11.00000 0.05029 0.04847 = 0.03751 0.01534 -0.00330 -0.02648 AFIX 43 H110 2 0.346910 0.202144 -0.001457 11.00000 -1.20000 AFIX 0 N111 3 0.289558 0.152440 0.047306 11.00000 0.04187 0.02866 = 0.02303 -0.00315 0.00108 -0.01562 N112 3 0.183120 0.165566 -0.011668 11.00000 0.04937 0.03683 = 0.02618 0.00308 -0.00564 -0.01798 AFIX 43 H112 2 0.214313 0.178813 -0.022040 11.00000 -1.20000 AFIX 0 N113 3 0.073306 0.175560 -0.027093 11.00000 0.04952 0.05378 = 0.03153 0.00362 -0.01376 -0.01498 N114 3 0.038733 0.177724 -0.066970 11.00000 0.06288 0.06273 = 0.03849 -0.00025 -0.02107 -0.01982 AFIX 43 H114 2 -0.002156 0.180489 -0.065996 11.00000 -1.20000 AFIX 0 C101 1 0.349269 -0.436199 0.229488 11.00000 0.11014 0.04441 = 0.18766 0.03621 -0.03452 -0.03539 AFIX 33 H10A 2 0.337013 -0.415528 0.258800 11.00000 -1.50000 H10B 2 0.362963 -0.478566 0.238143 11.00000 -1.50000 H10C 2 0.311905 -0.423849 0.208804 11.00000 -1.50000 AFIX 0 C102 1 0.465398 -0.439205 0.235395 11.00000 0.09649 0.04632 = 0.14289 0.02908 -0.05801 -0.02726 AFIX 33 H10D 2 0.501429 -0.430368 0.217783 11.00000 -1.50000 H10E 2 0.479202 -0.481297 0.245347 11.00000 -1.50000 H10F 2 0.452604 -0.417129 0.263945 11.00000 -1.50000 AFIX 0 C103 1 0.429282 -0.452302 0.155253 11.00000 0.15268 0.02567 = 0.18333 -0.02047 -0.06130 -0.01401 AFIX 33 H10G 2 0.465362 -0.441580 0.139804 11.00000 -1.50000 H10H 2 0.393249 -0.440079 0.133322 11.00000 -1.50000 H10I 2 0.443826 -0.494876 0.162935 11.00000 -1.50000 AFIX 0 C104 1 0.406286 -0.421364 0.202061 11.00000 0.06960 0.02895 = 0.13585 0.01607 -0.03961 -0.01906 C105 1 0.383918 -0.353635 0.189750 11.00000 0.06002 0.02221 = 0.09964 0.01016 -0.02009 -0.01243 C106 1 0.403672 -0.312277 0.207516 11.00000 0.05635 0.02558 = 0.07527 0.00688 -0.01407 -0.01485 AFIX 43 H106 2 0.436851 -0.319688 0.229687 11.00000 -1.20000 AFIX 0 C107 1 0.364825 -0.256843 0.186223 11.00000 0.04303 0.02724 = 0.04769 -0.00017 -0.00752 -0.01041 C108 1 0.337578 -0.150055 0.166479 11.00000 0.03707 0.02191 = 0.03859 -0.00157 0.00289 -0.00779 C109 1 0.348073 -0.095679 0.180172 11.00000 0.02931 0.02302 = 0.02847 -0.00278 0.00206 -0.00536 C110 1 0.326695 -0.044064 0.149233 11.00000 0.03313 0.03004 = 0.02340 -0.00195 -0.00154 -0.01130 AFIX 43 H11A 2 0.305123 -0.043310 0.120901 11.00000 -1.20000 AFIX 0 C111 1 0.337180 0.006950 0.160114 11.00000 0.02881 0.02441 = 0.02436 -0.00306 0.00578 -0.00981 C112 1 0.367938 0.004188 0.202875 11.00000 0.03069 0.02555 = 0.02764 -0.00244 0.00323 -0.01078 AFIX 43 H11B 2 0.376610 0.037143 0.211238 11.00000 -1.20000 AFIX 0 C113 1 0.386027 -0.049231 0.233693 11.00000 0.02787 0.03031 = 0.02485 -0.00136 -0.00354 -0.00993 C114 1 0.415782 -0.051663 0.282153 11.00000 0.03433 0.02975 = 0.02470 0.00120 0.00053 -0.01367 C115 1 0.460006 -0.122516 0.353241 11.00000 0.02995 0.03919 = 0.03089 0.00326 -0.00985 -0.00391 C116 1 0.492378 -0.094976 0.379022 11.00000 0.03926 0.03673 = 0.03180 0.00272 -0.01010 -0.00549 AFIX 43 H116 2 0.501037 -0.060112 0.368963 11.00000 -1.20000 AFIX 0 C117 1 0.508886 -0.130057 0.422458 11.00000 0.04173 0.04808 = 0.03204 -0.00251 -0.00358 -0.00518 C118 1 0.545406 -0.123917 0.465253 11.00000 0.05619 0.06820 = 0.04087 0.00248 -0.02222 -0.01504 PART 1 C119 1 0.604983 -0.179795 0.476200 21.00000 0.08907 0.11007 = 0.10103 -0.03914 -0.06360 0.00008 AFIX 33 H11C 2 0.627138 -0.174787 0.503607 21.00000 -1.50000 H11D 2 0.634946 -0.186688 0.447919 21.00000 -1.50000 H11E 2 0.590710 -0.213405 0.484029 21.00000 -1.50000 AFIX 0 C120 1 0.498173 -0.105963 0.509725 21.00000 0.10318 0.08990 = 0.05625 -0.01754 -0.01598 -0.02994 AFIX 33 H12A 2 0.522352 -0.102812 0.536675 21.00000 -1.50000 H12B 2 0.478279 -0.135729 0.518885 21.00000 -1.50000 H12C 2 0.464133 -0.068038 0.501632 21.00000 -1.50000 AFIX 0 C121 1 0.574153 -0.072286 0.452446 21.00000 0.09746 0.11549 = 0.05621 -0.00812 -0.03994 -0.04693 AFIX 33 H12D 2 0.597523 -0.069166 0.479888 21.00000 -1.50000 H12E 2 0.538448 -0.035135 0.445396 21.00000 -1.50000 H12F 2 0.604064 -0.080991 0.424223 21.00000 -1.50000 AFIX 0 PART 2 C169 1 0.508399 -0.065007 0.484675 -21.00000 0.10747 0.07612 = 0.03847 -0.00259 -0.03835 -0.03071 AFIX 33 H16A 2 0.531213 -0.060185 0.511776 -21.00000 -1.50000 H16B 2 0.464509 -0.063324 0.495595 -21.00000 -1.50000 H16C 2 0.505601 -0.033511 0.459181 -21.00000 -1.50000 AFIX 0 C170 1 0.616631 -0.133401 0.447021 -21.00000 0.06904 0.11155 = 0.04512 0.00525 -0.03560 -0.05009 AFIX 33 H17A 2 0.641432 -0.129818 0.473415 -21.00000 -1.50000 H17B 2 0.616704 -0.103768 0.420502 -21.00000 -1.50000 H17C 2 0.636598 -0.172587 0.435666 -21.00000 -1.50000 AFIX 0 C171 1 0.547274 -0.176459 0.504524 -21.00000 0.06928 0.08326 = 0.04294 0.00014 -0.03043 -0.04673 AFIX 33 H17D 2 0.570655 -0.174479 0.532363 -21.00000 -1.50000 H17E 2 0.569546 -0.213869 0.490613 -21.00000 -1.50000 H17F 2 0.502771 -0.173426 0.514809 -21.00000 -1.50000 AFIX 0 PART 1 C122 1 0.470214 0.412103 -0.036127 31.00000 0.10061 0.11034 = 0.13371 0.05683 -0.04509 -0.08388 AFIX 33 H12G 2 0.500301 0.433504 -0.036566 31.00000 -1.50000 H12H 2 0.431495 0.430976 -0.016032 31.00000 -1.50000 H12I 2 0.457457 0.412423 -0.069014 31.00000 -1.50000 AFIX 0 C123 1 0.563446 0.318317 -0.049072 31.00000 0.09509 0.12483 = 0.12244 0.07096 -0.02723 -0.07142 AFIX 33 H12J 2 0.594030 0.339298 -0.050156 31.00000 -1.50000 H12K 2 0.548468 0.320040 -0.081515 31.00000 -1.50000 H12L 2 0.585166 0.277289 -0.037051 31.00000 -1.50000 AFIX 0 C124 1 0.524752 0.348853 0.036469 31.00000 0.09311 0.12335 = 0.11767 0.05493 -0.03740 -0.08426 AFIX 33 H12M 2 0.554538 0.370677 0.035033 31.00000 -1.50000 H12N 2 0.546554 0.308695 0.050501 31.00000 -1.50000 H12O 2 0.486086 0.368149 0.056461 31.00000 -1.50000 AFIX 0 C125 1 0.504338 0.347335 -0.015017 31.00000 0.08731 0.10879 = 0.11185 0.06603 -0.03618 -0.07546 PART 2 C172 1 0.578528 0.270007 -0.055339 -31.00000 0.08647 0.12948 = 0.11739 0.05980 -0.01011 -0.06826 AFIX 33 H17G 2 0.617623 0.280440 -0.060916 -31.00000 -1.50000 H17H 2 0.567761 0.258829 -0.085321 -31.00000 -1.50000 H17I 2 0.586487 0.237002 -0.030548 -31.00000 -1.50000 AFIX 0 C173 1 0.541550 0.347196 0.005270 -31.00000 0.08810 0.12277 = 0.12449 0.06031 -0.02182 -0.07484 AFIX 33 H17J 2 0.577833 0.360529 -0.005035 -31.00000 -1.50000 H17K 2 0.555109 0.315736 0.031321 -31.00000 -1.50000 H17L 2 0.504753 0.380033 0.016786 -31.00000 -1.50000 AFIX 0 C174 1 0.505078 0.372119 -0.081000 -31.00000 0.08851 0.12905 = 0.12973 0.07586 -0.02816 -0.08139 AFIX 33 H17M 2 0.540255 0.388034 -0.086061 -31.00000 -1.50000 H17N 2 0.464185 0.403625 -0.073694 -31.00000 -1.50000 H17O 2 0.500917 0.355181 -0.110222 -31.00000 -1.50000 AFIX 0 C175 1 0.520752 0.323742 -0.038191 -31.00000 0.08235 0.11501 = 0.11526 0.07038 -0.02574 -0.06920 PART 0 C126 1 0.459422 0.310556 -0.017216 11.00000 0.07625 0.11336 = 0.11188 0.07660 -0.03235 -0.06329 C127 1 0.455914 0.260066 0.012737 11.00000 0.06213 0.08605 = 0.09733 0.06577 -0.03234 -0.04862 AFIX 43 H127 2 0.484973 0.237469 0.036822 11.00000 -1.20000 AFIX 0 C128 1 0.401125 0.251400 -0.001017 11.00000 0.04372 0.05744 = 0.04875 0.02308 -0.00329 -0.02816 C129 1 0.385448 0.176897 0.061180 11.00000 0.03629 0.03105 = 0.03092 0.00609 0.00313 -0.01371 C130 1 0.342549 0.139210 0.074023 11.00000 0.03155 0.02649 = 0.02646 -0.00233 0.00321 -0.01396 C131 1 0.359138 0.094389 0.111839 11.00000 0.03267 0.02719 = 0.02432 -0.00382 0.00394 -0.01313 AFIX 43 H131 2 0.396949 0.086934 0.129352 11.00000 -1.20000 AFIX 0 C132 1 0.318969 0.060485 0.123563 11.00000 0.03403 0.02347 = 0.02055 -0.00480 0.00486 -0.01114 C133 1 0.260884 0.076879 0.098261 11.00000 0.03804 0.02460 = 0.02884 -0.00214 0.00256 -0.01614 AFIX 43 H133 2 0.230910 0.057256 0.106650 11.00000 -1.20000 AFIX 0 C134 1 0.247513 0.122356 0.060589 11.00000 0.03548 0.02683 = 0.02307 -0.00197 0.00370 -0.01099 C135 1 0.185603 0.139511 0.034122 11.00000 0.04388 0.02842 = 0.02782 0.00040 -0.00112 -0.01162 C136 1 0.132787 0.172713 -0.043978 11.00000 0.05068 0.03923 = 0.02999 0.00168 -0.00361 -0.01361 C137 1 0.137512 0.172150 -0.094806 11.00000 0.06408 0.04504 = 0.03381 0.00074 -0.00754 -0.01503 AFIX 43 H137 2 0.174496 0.170246 -0.115240 11.00000 -1.20000 AFIX 0 SAME C138 C139 C141 C142 C140 SAME C138 C139 C142 < C140 SAME C138 C139 C190 > C192 SAME C105 C104 C103 < C101 SAME C117 C118 > C121 SAME C117 C118 C169 > C171 SAME C126 C125 < C122 SAME C126 C175 < C172 SAME C205 C204 C203 < C201 SAME C205 C204 < C251 SAME C217 C218 > C221 SAME C217 C218 C269 > C271 SAME C226 C225 C224 < C222 SAME C238 C239 > C242 SAME C238 C239 C290 > C292 SAME C305 C304 C303 < C301 SAME C317 C318 > C321 SAME C326 C325 < C322 SAME C326 C375 < C372 SAME C338 C339 > C342 SAME C338 C339 C390 > C392 SAME C405 C404 C403 < C401 SAME C405 C404 < C451 SAME C417 C418 > C421 SAME C417 C418 C469 > C471 SAME C426 C425 C424 < C422 SAME C438 C439 > C442 C138 1 0.077525 0.174927 -0.108656 11.00000 0.06700 0.04895 = 0.04145 -0.00219 -0.01435 -0.01784 C139 1 0.051745 0.169752 -0.157287 11.00000 0.11575 0.06744 = 0.04304 -0.00241 -0.03328 -0.03592 PART 1 C140 1 0.050534 0.107684 -0.157792 41.00000 0.16453 0.08388 = 0.06126 -0.00469 -0.04233 -0.05765 AFIX 33 H14A 2 0.035392 0.103619 -0.188826 41.00000 -1.50000 H14B 2 0.021034 0.100710 -0.131811 41.00000 -1.50000 H14C 2 0.094402 0.079026 -0.153062 41.00000 -1.50000 AFIX 0 C141 1 0.101348 0.178867 -0.198405 41.00000 0.15510 0.10691 = 0.03469 -0.00253 -0.02385 -0.05701 AFIX 33 H14D 2 0.086391 0.175588 -0.229738 41.00000 -1.50000 H14E 2 0.144313 0.148841 -0.193141 41.00000 -1.50000 H14F 2 0.104115 0.217827 -0.197845 41.00000 -1.50000 AFIX 0 C142 1 -0.015443 0.219014 -0.166103 41.00000 0.13800 0.10312 = 0.07293 -0.00526 -0.05507 -0.01260 AFIX 33 H14G 2 -0.030801 0.215818 -0.197311 41.00000 -1.50000 H14H 2 -0.011012 0.257404 -0.166053 41.00000 -1.50000 H14I 2 -0.046785 0.214813 -0.140492 41.00000 -1.50000 AFIX 0 PART 2 C190 1 0.027513 0.230585 -0.185550 -41.00000 0.14689 0.08678 = 0.02652 0.00497 -0.04688 -0.04417 AFIX 33 H19A 2 0.011676 0.227299 -0.216549 -41.00000 -1.50000 H19B 2 0.063329 0.245647 -0.191116 -41.00000 -1.50000 H19C 2 -0.007887 0.257524 -0.166970 -41.00000 -1.50000 AFIX 0 C191 1 -0.005974 0.146294 -0.147535 -41.00000 0.13842 0.09829 = 0.07152 -0.00047 -0.03672 -0.05898 AFIX 33 H19D 2 -0.022025 0.142424 -0.178275 -41.00000 -1.50000 H19E 2 -0.041135 0.173868 -0.129247 -41.00000 -1.50000 H19F 2 0.009162 0.107928 -0.128986 -41.00000 -1.50000 AFIX 0 C192 1 0.109063 0.125416 -0.185153 -41.00000 0.14655 0.10216 = 0.05331 -0.02222 -0.02454 -0.03709 AFIX 33 H19G 2 0.094386 0.121055 -0.216271 -41.00000 -1.50000 H19H 2 0.123569 0.087284 -0.166218 -41.00000 -1.50000 H19I 2 0.145195 0.140092 -0.190451 -41.00000 -1.50000 AFIX 0 PART 0 O201 4 0.147156 0.046369 0.491997 11.00000 0.04351 0.03161 = 0.02735 0.00197 0.00988 -0.00792 O202 4 0.187911 0.238800 0.293572 11.00000 0.06407 0.03572 = 0.02653 -0.00546 0.01709 -0.02097 O203 4 0.155663 0.032877 0.163466 11.00000 0.05056 0.02886 = 0.02997 -0.00212 0.00019 -0.01321 O204 4 0.329442 -0.156753 0.352784 11.00000 0.03861 0.02153 = 0.04688 0.00115 -0.00824 -0.00607 N201 3 0.050703 0.106236 0.615254 11.00000 0.05212 0.06770 = 0.03434 0.00898 0.02641 0.00171 AFIX 43 H201 2 0.054901 0.082005 0.641367 11.00000 -1.20000 AFIX 0 N202 3 0.091806 0.094466 0.574901 11.00000 0.04137 0.04921 = 0.02976 -0.00019 0.01329 -0.00498 N203 3 0.096140 0.146416 0.495908 11.00000 0.03961 0.03438 = 0.02437 0.00191 0.00722 -0.00630 AFIX 43 H203 2 0.091275 0.181242 0.481374 11.00000 -1.20000 AFIX 0 N204 3 0.144182 0.162497 0.401239 11.00000 0.03228 0.02585 = 0.02321 -0.00084 0.00225 -0.00684 N205 3 0.130418 0.273748 0.363853 11.00000 0.03916 0.02443 = 0.02436 -0.00050 0.00228 -0.00483 AFIX 43 H205 2 0.111288 0.263949 0.390357 11.00000 -1.20000 AFIX 0 N206 3 0.116742 0.364887 0.393748 11.00000 0.05200 0.01896 = 0.03079 -0.00157 -0.00023 -0.00172 N207 3 0.116431 0.419115 0.375153 11.00000 0.05631 0.02084 = 0.03953 -0.00264 -0.00863 -0.00530 AFIX 43 H207 2 0.110499 0.448596 0.392410 11.00000 -1.20000 AFIX 0 N208 3 0.172843 -0.112574 0.052846 11.00000 0.08191 0.02704 = 0.05416 -0.00578 -0.03009 -0.01738 AFIX 43 H208 2 0.180911 -0.140286 0.033318 11.00000 -1.20000 AFIX 0 N209 3 0.177931 -0.123589 0.102358 11.00000 0.06166 0.02385 = 0.05741 -0.00459 -0.02230 -0.01391 N210 3 0.166785 -0.065406 0.167700 11.00000 0.04894 0.02479 = 0.04352 0.00128 -0.00788 -0.01351 AFIX 43 H210 2 0.168909 -0.096230 0.187647 11.00000 -1.20000 AFIX 0 N211 3 0.224234 -0.081950 0.256039 11.00000 0.03073 0.02672 = 0.03132 -0.00240 0.00453 -0.01144 N212 3 0.283407 -0.197180 0.300793 11.00000 0.03721 0.01971 = 0.04486 0.00179 0.00143 -0.00420 AFIX 43 H212 2 0.263841 -0.190869 0.273451 11.00000 -1.20000 AFIX 0 N213 3 0.356243 -0.273412 0.354470 11.00000 0.06837 0.02219 = 0.04565 0.00624 -0.00551 -0.00759 N214 3 0.356546 -0.329464 0.373869 11.00000 0.10332 0.02646 = 0.05281 0.01222 -0.00222 -0.00519 AFIX 43 H214 2 0.384016 -0.352181 0.395098 11.00000 -1.20000 AFIX 0 PART 1 C201 1 -0.093175 0.244481 0.636709 51.00000 0.07509 0.13631 = 0.09790 -0.01068 0.05664 0.03055 AFIX 33 H20A 2 -0.128204 0.257139 0.661302 51.00000 -1.50000 H20B 2 -0.111917 0.249085 0.605182 51.00000 -1.50000 H20C 2 -0.065760 0.268499 0.635825 51.00000 -1.50000 AFIX 0 C202 1 -0.023573 0.165133 0.699590 51.00000 0.09167 0.12982 = 0.04813 -0.02141 0.02568 -0.02297 AFIX 33 H20D 2 -0.059004 0.177825 0.723882 51.00000 -1.50000 H20E 2 0.006842 0.185666 0.701837 51.00000 -1.50000 H20F 2 -0.000674 0.122757 0.705206 51.00000 -1.50000 AFIX 0 C203 1 -0.098438 0.142433 0.649266 51.00000 0.09325 0.21164 = 0.10121 -0.03688 0.05484 -0.07180 AFIX 33 H20G 2 -0.133172 0.155129 0.674064 51.00000 -1.50000 H20H 2 -0.073291 0.100678 0.656206 51.00000 -1.50000 H20I 2 -0.117517 0.148742 0.617683 51.00000 -1.50000 AFIX 0 PART 2 C251 1 -0.038218 0.132104 0.692418 -51.00000 0.11062 0.15736 = 0.05638 0.01896 0.04486 0.00911 AFIX 33 H25A 2 -0.072600 0.144846 0.717456 -51.00000 -1.50000 H25B 2 0.003846 0.126497 0.705444 -51.00000 -1.50000 H25C 2 -0.037391 0.095048 0.681740 -51.00000 -1.50000 AFIX 0 C252 1 -0.119007 0.193683 0.627766 -51.00000 0.06701 0.16648 = 0.10396 0.00836 0.04323 0.02240 AFIX 33 H25D 2 -0.153056 0.206279 0.653053 -51.00000 -1.50000 H25E 2 -0.120830 0.158575 0.615096 -51.00000 -1.50000 H25F 2 -0.125751 0.225157 0.601695 -51.00000 -1.50000 AFIX 0 C253 1 -0.045426 0.236034 0.666876 -51.00000 0.14666 0.12982 = 0.09394 -0.03141 0.04568 0.01381 AFIX 33 H25G 2 -0.078752 0.250802 0.692228 -51.00000 -1.50000 H25H 2 -0.051363 0.266243 0.639842 -51.00000 -1.50000 H25I 2 -0.002258 0.226193 0.679669 -51.00000 -1.50000 AFIX 0 PART 0 C204 1 -0.051703 0.179528 0.649010 11.00000 0.07877 0.12252 = 0.05733 -0.00681 0.03957 0.00480 C205 1 0.003375 0.159326 0.609815 11.00000 0.05349 0.07258 = 0.04765 -0.00269 0.02150 0.00413 C206 1 0.012519 0.185199 0.564094 11.00000 0.04935 0.05813 = 0.04135 0.00213 0.01837 0.01529 AFIX 43 H206 2 -0.012655 0.222775 0.549966 11.00000 -1.20000 AFIX 0 C207 1 0.068315 0.142468 0.543230 11.00000 0.03780 0.04221 = 0.02948 -0.00074 0.00866 -0.00297 C208 1 0.130266 0.097813 0.472193 11.00000 0.02955 0.03505 = 0.02449 0.00496 -0.00073 -0.00524 C209 1 0.149164 0.107408 0.418703 11.00000 0.02731 0.02936 = 0.02258 0.00025 0.00594 -0.00130 C210 1 0.171741 0.058288 0.391985 11.00000 0.03077 0.02653 = 0.02805 0.00465 0.00020 -0.00357 AFIX 43 H21A 2 0.176293 0.020517 0.407152 11.00000 -1.20000 AFIX 0 C211 1 0.187830 0.065447 0.341841 11.00000 0.02702 0.02431 = 0.02320 -0.00223 -0.00385 -0.00458 C212 1 0.185443 0.123001 0.323155 11.00000 0.02878 0.02640 = 0.01922 -0.00187 0.00415 -0.00524 AFIX 43 H21B 2 0.198194 0.130111 0.290561 11.00000 -1.20000 AFIX 0 C213 1 0.163739 0.169405 0.354011 11.00000 0.03307 0.02089 = 0.02286 0.00332 -0.00391 -0.00446 C214 1 0.161737 0.230357 0.333478 11.00000 0.03588 0.02634 = 0.01976 -0.00308 -0.00126 -0.00737 C215 1 0.126917 0.332818 0.355373 11.00000 0.03480 0.02259 = 0.02902 -0.00066 -0.00183 -0.00049 C216 1 0.132757 0.366563 0.311903 11.00000 0.04181 0.02367 = 0.03172 0.00370 0.00020 -0.00311 AFIX 43 H216 2 0.139391 0.354596 0.280161 11.00000 -1.20000 AFIX 0 C217 1 0.126597 0.421310 0.326072 11.00000 0.03349 0.02605 = 0.04073 0.00391 -0.00812 0.00092 C218 1 0.130943 0.476874 0.295904 11.00000 0.06828 0.02802 = 0.05511 0.01061 -0.00983 -0.00652 PART 1 C219 1 0.062426 0.526708 0.294096 61.00000 0.12705 0.04332 = 0.04502 0.02047 0.00541 0.01358 AFIX 33 H21C 2 0.031608 0.512681 0.280412 61.00000 -1.50000 H21D 2 0.065577 0.561007 0.273978 61.00000 -1.50000 H21E 2 0.047260 0.537590 0.326767 61.00000 -1.50000 AFIX 0 C220 1 0.145815 0.461180 0.241354 61.00000 0.12821 0.04967 = 0.06045 0.00428 0.04227 -0.02529 AFIX 33 H22A 2 0.111514 0.448917 0.230972 61.00000 -1.50000 H22B 2 0.187795 0.429208 0.238769 61.00000 -1.50000 H22C 2 0.147275 0.495772 0.220799 61.00000 -1.50000 AFIX 0 C221 1 0.181602 0.495978 0.316011 61.00000 0.15488 0.07474 = 0.11393 0.02900 -0.03219 -0.06429 AFIX 33 H22D 2 0.184119 0.531069 0.296780 61.00000 -1.50000 H22E 2 0.224025 0.464350 0.314735 61.00000 -1.50000 H22F 2 0.169348 0.504842 0.349490 61.00000 -1.50000 AFIX 0 PART 2 C269 1 0.205036 0.464501 0.281315 -61.00000 0.07357 0.03022 = 0.06547 0.00226 0.02112 -0.02058 AFIX 33 H26A 2 0.209483 0.498701 0.261808 -61.00000 -1.50000 H26B 2 0.221672 0.430204 0.262634 -61.00000 -1.50000 H26C 2 0.229889 0.456927 0.310458 -61.00000 -1.50000 AFIX 0 C270 1 0.110646 0.528936 0.329652 -61.00000 0.12657 0.02557 = 0.10040 -0.00908 0.04552 -0.02310 AFIX 33 H27A 2 0.113560 0.564291 0.311106 -61.00000 -1.50000 H27B 2 0.139916 0.518148 0.356560 -61.00000 -1.50000 H27C 2 0.065906 0.536579 0.342171 -61.00000 -1.50000 AFIX 0 C271 1 0.085436 0.494298 0.253973 -61.00000 0.12301 0.10493 = 0.10434 0.05793 -0.06241 -0.05563 AFIX 33 H27D 2 0.089605 0.528990 0.235096 -61.00000 -1.50000 H27E 2 0.040500 0.503253 0.266460 -61.00000 -1.50000 H27F 2 0.096960 0.461846 0.233421 -61.00000 -1.50000 AFIX 0 PART 0 C222 1 0.179806 -0.081749 -0.049491 11.00000 0.07239 0.05397 = 0.05766 -0.00915 -0.00292 -0.01925 AFIX 33 H22G 2 0.175108 -0.065642 -0.083223 11.00000 -1.50000 H22H 2 0.157792 -0.110356 -0.043273 11.00000 -1.50000 H22I 2 0.226034 -0.101056 -0.043002 11.00000 -1.50000 AFIX 0 C223 1 0.182749 0.014404 -0.025449 11.00000 0.22378 0.08264 = 0.06565 0.00743 -0.03643 -0.09481 AFIX 33 H22J 2 0.179672 0.029634 -0.059420 11.00000 -1.50000 H22K 2 0.228584 -0.004010 -0.017518 11.00000 -1.50000 H22L 2 0.161365 0.046704 -0.005196 11.00000 -1.50000 AFIX 0 C224 1 0.076313 -0.002107 -0.027879 11.00000 0.09934 0.10642 = 0.05616 -0.01726 -0.01868 0.05134 AFIX 33 H22M 2 0.072481 0.012370 -0.062006 11.00000 -1.50000 H22N 2 0.055908 0.030770 -0.008031 11.00000 -1.50000 H22O 2 0.054523 -0.030812 -0.020922 11.00000 -1.50000 AFIX 0 C225 1 0.149008 -0.031557 -0.016314 11.00000 0.09130 0.03706 = 0.04255 -0.00248 -0.02553 -0.01673 C226 1 0.154015 -0.054275 0.037453 11.00000 0.06311 0.03015 = 0.05037 -0.00773 -0.02403 -0.01101 C227 1 0.145009 -0.024767 0.079002 11.00000 0.04671 0.02689 = 0.04725 -0.00422 -0.01249 -0.00720 AFIX 43 H227 2 0.131071 0.016399 0.080678 11.00000 -1.20000 AFIX 0 C228 1 0.160918 -0.068799 0.118176 11.00000 0.04505 0.02732 = 0.04659 -0.00396 -0.02101 -0.00668 C229 1 0.169393 -0.016153 0.186712 11.00000 0.03306 0.02219 = 0.03596 -0.00400 0.00276 -0.00790 C230 1 0.192035 -0.026226 0.238068 11.00000 0.02962 0.02514 = 0.03239 -0.00197 0.00872 -0.00834 C231 1 0.181623 0.024194 0.264129 11.00000 0.03308 0.02050 = 0.03073 0.00324 0.00071 -0.00466 AFIX 43 H231 2 0.159498 0.062640 0.250030 11.00000 -1.20000 AFIX 0 C232 1 0.204964 0.015231 0.310960 11.00000 0.02877 0.02675 = 0.02673 -0.00183 0.00453 -0.00939 C233 1 0.242310 -0.042949 0.328778 11.00000 0.03278 0.02780 = 0.02692 0.00070 0.00149 -0.01133 AFIX 43 H233 2 0.261086 -0.050512 0.359368 11.00000 -1.20000 AFIX 0 C234 1 0.250683 -0.088752 0.300095 11.00000 0.02513 0.02371 = 0.03726 0.00231 0.00340 -0.00869 C235 1 0.292025 -0.151146 0.319729 11.00000 0.02681 0.02489 = 0.03806 0.00318 0.00414 -0.00509 C236 1 0.305734 -0.255663 0.324753 11.00000 0.04478 0.01835 = 0.05212 0.00683 0.00496 -0.00989 C237 1 0.276936 -0.298529 0.323764 11.00000 0.05105 0.02744 = 0.11315 0.00331 0.01214 -0.01287 AFIX 43 H237 2 0.242097 -0.296164 0.304676 11.00000 -1.20000 AFIX 0 C238 1 0.309084 -0.343913 0.355634 11.00000 0.07843 0.03410 = 0.09287 -0.00177 0.02516 -0.02716 C239 1 0.294395 -0.400308 0.375426 11.00000 0.14250 0.03599 = 0.14266 0.00404 0.05257 -0.03313 PART 1 C240 1 0.231854 -0.401277 0.354696 71.00000 0.11350 0.05822 = 0.26985 -0.01241 0.09271 -0.06219 AFIX 33 H24A 2 0.223630 -0.436746 0.368129 71.00000 -1.50000 H24B 2 0.237164 -0.401116 0.319565 71.00000 -1.50000 H24C 2 0.195072 -0.366582 0.363234 71.00000 -1.50000 AFIX 0 C241 1 0.289298 -0.397302 0.432168 71.00000 0.20105 0.05176 = 0.16743 0.02792 0.10226 -0.00677 AFIX 33 H24D 2 0.279124 -0.430926 0.447886 71.00000 -1.50000 H24E 2 0.254825 -0.360871 0.440307 71.00000 -1.50000 H24F 2 0.330804 -0.398254 0.443290 71.00000 -1.50000 AFIX 0 C242 1 0.355745 -0.455596 0.365266 71.00000 0.15156 0.01231 = 0.09675 -0.00013 -0.01605 -0.03467 AFIX 33 H24G 2 0.347284 -0.491186 0.377992 71.00000 -1.50000 H24H 2 0.393134 -0.453747 0.380997 71.00000 -1.50000 H24I 2 0.365120 -0.456374 0.330467 71.00000 -1.50000 AFIX 0 PART 2 C290 1 0.358122 -0.453421 0.382394 -71.00000 0.18689 0.05361 = 0.10705 0.02685 0.02896 -0.01827 AFIX 33 H29A 2 0.347855 -0.488485 0.393889 -71.00000 -1.50000 H29B 2 0.384017 -0.445775 0.406095 -71.00000 -1.50000 H29C 2 0.382917 -0.459690 0.351617 -71.00000 -1.50000 AFIX 0 C291 1 0.247939 -0.408265 0.337397 -71.00000 0.10238 0.05689 = 0.21620 -0.01976 0.05423 -0.05341 AFIX 33 H29D 2 0.237705 -0.443681 0.347490 -71.00000 -1.50000 H29E 2 0.270062 -0.411930 0.305523 -71.00000 -1.50000 H29F 2 0.207646 -0.374048 0.335927 -71.00000 -1.50000 AFIX 0 C292 1 0.252045 -0.384547 0.422662 -71.00000 0.09048 0.08381 = 0.15511 0.03592 0.04457 -0.04303 AFIX 33 H29G 2 0.239970 -0.418062 0.436119 -71.00000 -1.50000 H29H 2 0.212645 -0.350627 0.415499 -71.00000 -1.50000 H29I 2 0.276906 -0.375047 0.446052 -71.00000 -1.50000 AFIX 0 PART 0 O301 4 0.502200 0.271018 0.367079 11.00000 0.04399 0.03474 = 0.04144 -0.01469 0.00879 -0.01710 O302 4 0.463858 0.085466 0.200973 11.00000 0.05455 0.04810 = 0.03066 -0.01461 0.01350 -0.03266 O303 4 0.338800 -0.027012 0.409427 11.00000 0.04270 0.02563 = 0.03102 -0.00274 0.00761 -0.01035 O304 4 0.211626 0.273387 0.447668 11.00000 0.03775 0.02507 = 0.02541 -0.00093 0.00210 0.00233 N301 3 0.643584 0.345231 0.335778 11.00000 0.04316 0.04604 = 0.06118 -0.02164 0.00511 -0.02556 AFIX 43 H301 2 0.642659 0.375286 0.350662 11.00000 -1.20000 AFIX 0 N302 3 0.594196 0.322454 0.339935 11.00000 0.03924 0.03422 = 0.04843 -0.01021 0.00335 -0.01615 N303 3 0.575879 0.244390 0.302889 11.00000 0.03587 0.02810 = 0.04265 -0.00561 0.00346 -0.01092 AFIX 43 H303 2 0.587046 0.223073 0.278206 11.00000 -1.20000 AFIX 0 N304 3 0.508420 0.175697 0.275718 11.00000 0.03003 0.02273 = 0.02775 -0.00447 0.00142 -0.00827 N305 3 0.544311 0.126284 0.190639 11.00000 0.04098 0.04139 = 0.02532 -0.01080 0.00708 -0.02510 AFIX 43 H305 2 0.564946 0.143717 0.205606 11.00000 -1.20000 AFIX 0 N306 3 0.598148 0.146046 0.116355 11.00000 0.04850 0.04170 = 0.03255 -0.01022 0.01345 -0.02416 N307 3 0.610498 0.123719 0.071675 11.00000 0.04698 0.05197 = 0.02925 -0.01482 0.02063 -0.02148 AFIX 43 H307 2 0.631221 0.136576 0.047605 11.00000 -1.20000 AFIX 0 N308 3 0.241277 -0.102479 0.552752 11.00000 0.06541 0.03469 = 0.06053 0.01070 0.03198 -0.01249 AFIX 43 H308 2 0.218214 -0.112636 0.576690 11.00000 -1.20000 AFIX 0 N309 3 0.241940 -0.046634 0.542514 11.00000 0.04745 0.03033 = 0.03564 0.00726 0.00920 -0.00932 N310 3 0.294296 0.002266 0.484848 11.00000 0.04314 0.02823 = 0.02666 0.00313 0.00790 -0.00898 AFIX 43 H310 2 0.284959 0.030912 0.503601 11.00000 -1.20000 AFIX 0 N311 3 0.280015 0.116350 0.453292 11.00000 0.03167 0.02661 = 0.01839 0.00098 0.00056 -0.00144 N312 3 0.211905 0.206321 0.512978 11.00000 0.03230 0.02907 = 0.02374 -0.00440 0.00329 -0.00212 AFIX 43 H312 2 0.221339 0.168978 0.522463 11.00000 -1.20000 AFIX 0 N313 3 0.142456 0.304562 0.531896 11.00000 0.05654 0.03762 = 0.02776 -0.01065 0.01128 0.00378 N314 3 0.119989 0.331626 0.573927 11.00000 0.07720 0.04509 = 0.02831 -0.01154 -0.00060 0.01620 AFIX 43 H314 2 0.094955 0.368542 0.574925 11.00000 -1.20000 AFIX 0 C301 1 0.732950 0.396022 0.266592 11.00000 0.12994 0.10296 = 0.13971 -0.01211 0.04344 -0.08403 AFIX 33 H30A 2 0.771021 0.407512 0.258521 11.00000 -1.50000 H30B 2 0.701984 0.424237 0.287016 11.00000 -1.50000 H30C 2 0.712207 0.395479 0.236942 11.00000 -1.50000 AFIX 0 C302 1 0.802777 0.288537 0.262014 11.00000 0.06246 0.13677 = 0.17015 -0.08252 0.06280 -0.07189 AFIX 33 H30D 2 0.841354 0.299266 0.253967 11.00000 -1.50000 H30E 2 0.781790 0.288476 0.232352 11.00000 -1.50000 H30F 2 0.815675 0.249363 0.279273 11.00000 -1.50000 AFIX 0 C303 1 0.785275 0.334760 0.342093 11.00000 0.06750 0.15174 = 0.13170 -0.03955 0.01891 -0.06967 AFIX 33 H30G 2 0.823878 0.345698 0.335059 11.00000 -1.50000 H30H 2 0.797706 0.295863 0.359810 11.00000 -1.50000 H30I 2 0.753532 0.363550 0.361654 11.00000 -1.50000 AFIX 0 C304 1 0.754743 0.333445 0.294231 11.00000 0.06207 0.08257 = 0.09512 -0.04254 0.02621 -0.04964 C305 1 0.693734 0.316034 0.306140 11.00000 0.04821 0.06314 = 0.07119 -0.02055 0.01467 -0.03090 C306 1 0.675918 0.272700 0.287685 11.00000 0.04767 0.04797 = 0.06393 -0.01800 0.02138 -0.02554 AFIX 43 H306 2 0.699849 0.245700 0.265236 11.00000 -1.20000 AFIX 0 C307 1 0.614370 0.278510 0.310145 11.00000 0.03242 0.03384 = 0.04535 -0.00356 -0.00077 -0.01255 C308 1 0.523268 0.241774 0.330747 11.00000 0.02940 0.02480 = 0.03849 -0.00026 -0.00084 -0.01001 C309 1 0.490187 0.201007 0.317801 11.00000 0.03176 0.02280 = 0.02709 -0.00007 -0.00225 -0.00308 C310 1 0.440998 0.191829 0.349561 11.00000 0.02673 0.02422 = 0.02589 -0.00061 -0.00020 -0.00569 AFIX 43 H31A 2 0.428875 0.211599 0.378079 11.00000 -1.20000 AFIX 0 C311 1 0.409878 0.153559 0.339169 11.00000 0.02789 0.02106 = 0.02408 0.00033 0.00084 -0.00531 C312 1 0.428500 0.126796 0.294760 11.00000 0.03379 0.02330 = 0.02609 -0.00243 0.00005 -0.01252 AFIX 43 H31B 2 0.408968 0.100735 0.285895 11.00000 -1.20000 AFIX 0 C313 1 0.476657 0.140006 0.264337 11.00000 0.03360 0.02120 = 0.02385 -0.00144 0.00233 -0.00552 C314 1 0.494502 0.113816 0.215522 11.00000 0.03390 0.02805 = 0.02762 -0.00404 0.00319 -0.01164 C315 1 0.565765 0.113369 0.142249 11.00000 0.04118 0.03859 = 0.02812 -0.01138 0.01047 -0.01770 C316 1 0.557760 0.071756 0.114309 11.00000 0.04304 0.04364 = 0.03547 -0.01129 0.01266 -0.02011 AFIX 43 H316 2 0.536956 0.044229 0.124062 11.00000 -1.20000 AFIX 0 C317 1 0.587114 0.079876 0.069166 11.00000 0.04863 0.05619 = 0.03874 -0.01910 0.01521 -0.02224 C318 1 0.589366 0.051944 0.021687 11.00000 0.07676 0.07668 = 0.05352 -0.03748 0.02955 -0.03625 C319 1 0.516703 0.068269 0.006639 11.00000 0.09734 0.11407 = 0.05326 -0.03266 0.00398 -0.04007 AFIX 33 H31C 2 0.496375 0.110972 0.001140 11.00000 -1.50000 H31D 2 0.492387 0.053572 0.032453 11.00000 -1.50000 H31E 2 0.516405 0.050362 -0.022982 11.00000 -1.50000 AFIX 0 C320 1 0.622347 -0.014218 0.029550 11.00000 0.09951 0.09079 = 0.08215 -0.05359 0.03612 -0.03403 AFIX 33 H32A 2 0.623627 -0.031744 -0.000561 11.00000 -1.50000 H32B 2 0.597902 -0.029987 0.054537 11.00000 -1.50000 H32C 2 0.666770 -0.023571 0.039744 11.00000 -1.50000 AFIX 0 C321 1 0.623588 0.079897 -0.019655 11.00000 0.12758 0.14387 = 0.05841 -0.04323 0.03734 -0.07514 AFIX 33 H32D 2 0.600152 0.122308 -0.023849 11.00000 -1.50000 H32E 2 0.623622 0.062638 -0.049679 11.00000 -1.50000 H32F 2 0.668466 0.072289 -0.011384 11.00000 -1.50000 AFIX 0 PART 1 C322 1 0.267234 -0.225467 0.578047 81.00000 0.11642 0.03345 = 0.10788 0.02005 0.04338 -0.01499 AFIX 33 H32G 2 0.282663 -0.268228 0.584548 81.00000 -1.50000 H32H 2 0.220745 -0.210877 0.571810 81.00000 -1.50000 H32I 2 0.274315 -0.207914 0.606016 81.00000 -1.50000 AFIX 0 C323 1 0.379566 -0.237300 0.541934 81.00000 0.10171 0.04721 = 0.11781 0.01656 0.03028 0.00428 AFIX 33 H32J 2 0.391192 -0.279798 0.548756 81.00000 -1.50000 H32K 2 0.390084 -0.221011 0.569358 81.00000 -1.50000 H32L 2 0.404086 -0.229059 0.513071 81.00000 -1.50000 AFIX 0 C324 1 0.287820 -0.229284 0.486414 81.00000 0.13406 0.04597 = 0.11181 0.00350 0.03551 -0.04519 AFIX 33 H32M 2 0.300706 -0.272099 0.489502 81.00000 -1.50000 H32N 2 0.311053 -0.217008 0.458492 81.00000 -1.50000 H32O 2 0.240895 -0.211570 0.482053 81.00000 -1.50000 AFIX 0 C325 1 0.305194 -0.208662 0.533354 81.00000 0.10027 0.03525 = 0.09730 0.00199 0.04807 -0.01537 PART 2 C372 1 0.310551 -0.228327 0.471603 -81.00000 0.13876 0.03725 = 0.09812 -0.01245 0.05679 -0.04307 AFIX 33 H37A 2 0.308194 -0.267363 0.470551 -81.00000 -1.50000 H37B 2 0.356131 -0.231639 0.472219 -81.00000 -1.50000 H37C 2 0.290847 -0.203229 0.443020 -81.00000 -1.50000 AFIX 0 C373 1 0.203323 -0.202406 0.522637 -81.00000 0.10704 0.04583 = 0.13332 -0.01281 0.03140 -0.02601 AFIX 33 H37D 2 0.204986 -0.242639 0.520867 -81.00000 -1.50000 H37E 2 0.177554 -0.176799 0.496465 -81.00000 -1.50000 H37F 2 0.183225 -0.188737 0.553669 -81.00000 -1.50000 AFIX 0 C374 1 0.309471 -0.238720 0.562930 -81.00000 0.10840 0.03775 = 0.10135 0.01021 0.03570 -0.01406 AFIX 33 H37G 2 0.309136 -0.278681 0.563618 -81.00000 -1.50000 H37H 2 0.287474 -0.221220 0.592280 -81.00000 -1.50000 H37I 2 0.354484 -0.239875 0.561096 -81.00000 -1.50000 AFIX 0 C375 1 0.273144 -0.200894 0.517757 -81.00000 0.10423 0.02914 = 0.09216 0.00191 0.04907 -0.01883 PART 0 C326 1 0.280373 -0.140358 0.521645 11.00000 0.09581 0.03224 = 0.07016 -0.00171 0.04220 -0.01386 C327 1 0.308025 -0.106418 0.487677 11.00000 0.07078 0.03000 = 0.06287 0.00152 0.03156 -0.01084 AFIX 43 H327 2 0.336543 -0.119217 0.460704 11.00000 -1.20000 AFIX 0 C328 1 0.282806 -0.049371 0.503819 11.00000 0.04236 0.03340 = 0.03336 0.01301 0.00484 -0.00578 C329 1 0.319259 0.010708 0.438732 11.00000 0.02667 0.02613 = 0.02675 0.00291 0.00058 -0.00218 C330 1 0.319823 0.073091 0.425702 11.00000 0.02952 0.02182 = 0.02249 0.00219 -0.00189 -0.00204 C331 1 0.359837 0.083439 0.386406 11.00000 0.03142 0.02676 = 0.01911 -0.00340 -0.00084 -0.00385 AFIX 43 H331 2 0.385679 0.052502 0.367849 11.00000 -1.20000 AFIX 0 C332 1 0.360425 0.141142 0.375395 11.00000 0.02768 0.02465 = 0.02150 -0.00216 -0.00268 -0.00691 C333 1 0.315846 0.186480 0.400823 11.00000 0.03264 0.02904 = 0.01663 -0.00105 -0.00432 -0.00444 AFIX 43 H333 2 0.311987 0.226150 0.392478 11.00000 -1.20000 AFIX 0 C334 1 0.276884 0.171590 0.439132 11.00000 0.02436 0.02770 = 0.02197 0.00045 0.00018 -0.00358 C335 1 0.229841 0.221212 0.467402 11.00000 0.03342 0.02601 = 0.02326 -0.00313 0.00041 -0.00261 C336 1 0.178101 0.248816 0.546613 11.00000 0.03516 0.03586 = 0.02442 -0.00462 0.00255 0.00018 C337 1 0.179279 0.239499 0.597458 11.00000 0.05204 0.05249 = 0.03026 -0.00523 0.00423 0.01097 AFIX 43 H337 2 0.200968 0.204079 0.616275 11.00000 -1.20000 AFIX 0 C338 1 0.141783 0.293459 0.613941 11.00000 0.07198 0.06180 = 0.02772 -0.01182 -0.00269 0.01082 C339 1 0.125053 0.312264 0.665298 11.00000 0.09839 0.07978 = 0.03605 -0.01899 0.00225 0.01603 PART 1 C340 1 0.052727 0.312418 0.679114 91.00000 0.09765 0.07564 = 0.04106 -0.01756 0.00506 0.00164 AFIX 33 H34A 2 0.039971 0.324615 0.711728 91.00000 -1.50000 H34B 2 0.051869 0.272899 0.677810 91.00000 -1.50000 H34C 2 0.022330 0.339834 0.656211 91.00000 -1.50000 AFIX 0 C341 1 0.123038 0.374292 0.668925 91.00000 0.11917 0.08710 = 0.04087 -0.03484 0.01294 -0.01005 AFIX 33 H34D 2 0.112095 0.384326 0.702253 91.00000 -1.50000 H34E 2 0.090067 0.401745 0.647763 91.00000 -1.50000 H34F 2 0.165653 0.376822 0.659098 91.00000 -1.50000 AFIX 0 C342 1 0.172797 0.268067 0.700519 91.00000 0.08778 0.09943 = 0.02136 -0.01310 0.00313 0.00218 AFIX 33 H34G 2 0.161948 0.280612 0.733166 91.00000 -1.50000 H34H 2 0.217185 0.266153 0.691043 91.00000 -1.50000 H34I 2 0.169705 0.229250 0.699809 91.00000 -1.50000 AFIX 0 PART 2 C390 1 0.169219 0.352127 0.669106 -91.00000 0.10369 0.07545 = 0.03519 -0.02374 -0.01893 0.02734 AFIX 33 H39A 2 0.161763 0.367210 0.700912 -91.00000 -1.50000 H39B 2 0.157365 0.385037 0.644144 -91.00000 -1.50000 H39C 2 0.215220 0.328224 0.664564 -91.00000 -1.50000 AFIX 0 C391 1 0.148294 0.258784 0.702525 -91.00000 0.09287 0.10194 = 0.04109 -0.01071 -0.00177 0.00960 AFIX 33 H39D 2 0.136718 0.271568 0.735057 -91.00000 -1.50000 H39E 2 0.195568 0.239921 0.698894 -91.00000 -1.50000 H39F 2 0.127398 0.230804 0.697330 -91.00000 -1.50000 AFIX 0 C392 1 0.056160 0.355206 0.671776 -91.00000 0.10520 0.09508 = 0.05043 -0.02005 0.00708 0.01978 AFIX 33 H39G 2 0.048535 0.365811 0.705077 -91.00000 -1.50000 H39H 2 0.025263 0.336968 0.664638 -91.00000 -1.50000 H39I 2 0.050224 0.390549 0.649793 -91.00000 -1.50000 AFIX 0 PART 0 O401 4 0.252345 0.320189 0.017001 11.00000 0.05541 0.06428 = 0.02940 0.01864 -0.00809 -0.03282 O402 4 0.148816 0.160226 0.213480 11.00000 0.04990 0.04205 = 0.02837 0.00980 -0.00646 -0.02783 O403 4 0.282767 0.314082 0.341036 11.00000 0.03156 0.03945 = 0.02497 0.00128 0.00165 -0.01216 O404 4 0.511717 0.255330 0.143998 11.00000 0.04304 0.03857 = 0.04176 -0.01215 0.01342 -0.01818 N401 3 0.149549 0.367542 -0.106752 11.00000 0.05785 0.08235 = 0.02751 0.02371 -0.00964 -0.02837 AFIX 43 H401 2 0.166589 0.379226 -0.133523 11.00000 -1.20000 AFIX 0 N402 3 0.183951 0.343233 -0.065179 11.00000 0.05779 0.07380 = 0.03310 0.02022 -0.01158 -0.03462 N403 3 0.154357 0.305712 0.014408 11.00000 0.05052 0.04222 = 0.02755 0.01191 -0.00841 -0.02278 AFIX 43 H403 2 0.127559 0.290701 0.030760 11.00000 -1.20000 AFIX 0 N404 3 0.174787 0.249385 0.107709 11.00000 0.03984 0.02805 = 0.02226 0.00243 -0.00011 -0.00960 N405 3 0.090478 0.195456 0.144218 11.00000 0.04238 0.03793 = 0.03330 0.00494 -0.00560 -0.02188 AFIX 43 H405 2 0.085727 0.220442 0.118551 11.00000 -1.20000 AFIX 0 N406 3 0.019981 0.155747 0.111181 11.00000 0.04312 0.04821 = 0.03820 0.00219 -0.00467 -0.02537 N407 3 -0.018203 0.123621 0.129385 11.00000 0.04748 0.05608 = 0.04805 -0.00182 -0.00284 -0.03383 AFIX 43 H407 2 -0.041174 0.111609 0.111466 11.00000 -1.20000 AFIX 0 N408 3 0.395008 0.395669 0.441824 11.00000 0.04550 0.03418 = 0.03139 -0.00600 -0.00420 -0.01311 AFIX 43 H408 2 0.419333 0.405601 0.460143 11.00000 -1.20000 AFIX 0 N409 3 0.412607 0.381591 0.394328 11.00000 0.03901 0.02414 = 0.03557 -0.00648 0.00327 -0.00920 N410 3 0.364506 0.354510 0.331991 11.00000 0.03712 0.03614 = 0.02417 -0.00442 0.00520 -0.01575 AFIX 43 H410 2 0.391843 0.363680 0.311056 11.00000 -1.20000 AFIX 0 N411 3 0.403737 0.308451 0.245295 11.00000 0.03194 0.02479 = 0.02779 0.00009 0.00110 -0.00934 N412 3 0.515566 0.320668 0.196752 11.00000 0.04395 0.03235 = 0.03367 -0.00797 0.01289 -0.01646 AFIX 43 H412 2 0.500642 0.334726 0.224574 11.00000 -1.20000 AFIX 0 N413 3 0.610978 0.299355 0.141536 11.00000 0.04962 0.05222 = 0.05552 -0.01587 0.02610 -0.03467 N414 3 0.649574 0.330908 0.121850 11.00000 0.06220 0.05715 = 0.06778 -0.01841 0.03277 -0.04275 AFIX 43 H414 2 0.681067 0.318342 0.100105 11.00000 -1.20000 AFIX 0 PART 1 C401 1 0.028183 0.462127 -0.153515 101.00000 0.11466 0.08595 = 0.10048 0.03769 -0.06669 -0.03048 AFIX 33 H40A 2 -0.001807 0.478377 -0.179869 101.00000 -1.50000 H40B 2 0.069742 0.467134 -0.162956 101.00000 -1.50000 H40C 2 0.009532 0.482700 -0.124748 101.00000 -1.50000 AFIX 0 C402 1 -0.026784 0.389605 -0.125905 101.00000 0.05656 0.10714 = 0.05643 0.00315 -0.02291 -0.02094 AFIX 33 H40D 2 -0.057059 0.404893 -0.152162 101.00000 -1.50000 H40E 2 -0.044732 0.411752 -0.097816 101.00000 -1.50000 H40F 2 -0.020320 0.348114 -0.117320 101.00000 -1.50000 AFIX 0 C403 1 0.066764 0.362611 -0.187662 101.00000 0.09023 0.13727 = 0.03933 -0.01451 -0.01998 -0.02370 AFIX 33 H40G 2 0.035902 0.378709 -0.213485 101.00000 -1.50000 H40H 2 0.073425 0.320951 -0.179921 101.00000 -1.50000 H40I 2 0.108317 0.367003 -0.198247 101.00000 -1.50000 AFIX 0 PART 2 C451 1 0.042331 0.346566 -0.173976 -101.00000 0.11651 0.12908 = 0.03798 -0.02085 -0.01857 -0.02702 AFIX 33 H45A 2 0.012276 0.363113 -0.200260 -101.00000 -1.50000 H45B 2 0.029931 0.316408 -0.154136 -101.00000 -1.50000 H45C 2 0.086648 0.329017 -0.187416 -101.00000 -1.50000 AFIX 0 C452 1 0.062210 0.441584 -0.176102 -101.00000 0.11333 0.10701 = 0.06545 0.05799 -0.03130 -0.01931 AFIX 33 H45D 2 0.032816 0.457598 -0.202836 -101.00000 -1.50000 H45E 2 0.106467 0.421955 -0.188867 -101.00000 -1.50000 H45F 2 0.061538 0.473507 -0.157541 -101.00000 -1.50000 AFIX 0 C453 1 -0.030483 0.427317 -0.122352 -101.00000 0.07271 0.09898 = 0.07801 -0.00121 -0.02260 -0.01598 AFIX 33 H45G 2 -0.059911 0.442876 -0.149106 -101.00000 -1.50000 H45H 2 -0.031141 0.459598 -0.104237 -101.00000 -1.50000 H45I 2 -0.044641 0.399293 -0.101013 -101.00000 -1.50000 AFIX 0 PART 0 C404 1 0.039373 0.396030 -0.142407 11.00000 0.06973 0.07047 = 0.03784 0.00697 -0.01687 -0.02065 C405 1 0.087126 0.371018 -0.101068 11.00000 0.06334 0.05419 = 0.02543 0.00405 -0.01398 -0.02145 C406 1 0.077758 0.348477 -0.054243 11.00000 0.04468 0.05184 = 0.03713 0.00837 -0.01424 -0.01708 AFIX 43 H406 2 0.038665 0.345551 -0.039507 11.00000 -1.20000 AFIX 0 C407 1 0.137611 0.331342 -0.033959 11.00000 0.05695 0.04263 = 0.02690 0.00819 -0.00835 -0.02048 C408 1 0.208074 0.302935 0.036628 11.00000 0.04655 0.04241 = 0.02724 0.01094 -0.00482 -0.01779 C409 1 0.215184 0.277338 0.089417 11.00000 0.04142 0.03094 = 0.02369 0.00566 -0.00076 -0.01142 C410 1 0.264106 0.283449 0.115642 11.00000 0.03412 0.03415 = 0.02931 0.00460 -0.00041 -0.01525 AFIX 43 H41A 2 0.291671 0.303120 0.100778 11.00000 -1.20000 AFIX 0 C411 1 0.271979 0.260061 0.164375 11.00000 0.03284 0.02574 = 0.02564 -0.00034 -0.00002 -0.01056 C412 1 0.229842 0.228943 0.183400 11.00000 0.03840 0.02977 = 0.01816 0.00094 0.00017 -0.01398 AFIX 43 H41B 2 0.233462 0.211653 0.215628 11.00000 -1.20000 AFIX 0 C413 1 0.183952 0.224374 0.154381 11.00000 0.04142 0.02643 = 0.02161 -0.00067 0.00203 -0.01270 C414 1 0.139250 0.190061 0.173985 11.00000 0.04201 0.02895 = 0.02962 -0.00216 0.00169 -0.01635 C415 1 0.047147 0.164217 0.151311 11.00000 0.03221 0.03733 = 0.03718 -0.00242 0.00139 -0.01244 C416 1 0.025091 0.138138 0.193447 11.00000 0.04531 0.04394 = 0.03189 -0.00168 -0.00383 -0.02065 AFIX 43 H416 2 0.036386 0.138163 0.225546 11.00000 -1.20000 AFIX 0 C417 1 -0.016317 0.112536 0.178501 11.00000 0.05009 0.05264 = 0.03895 -0.00851 0.00710 -0.02796 C418 1 -0.054871 0.077148 0.207728 11.00000 0.06363 0.06759 = 0.05339 -0.01175 0.01521 -0.04337 PART 1 C419 1 -0.086750 0.050193 0.173794 111.00000 0.15359 0.10837 = 0.06346 -0.01338 0.01564 -0.10462 AFIX 33 H41C 2 -0.110955 0.028281 0.193037 111.00000 -1.50000 H41D 2 -0.052926 0.023643 0.153843 111.00000 -1.50000 H41E 2 -0.116543 0.081597 0.153029 111.00000 -1.50000 AFIX 0 C420 1 -0.107048 0.117005 0.241396 111.00000 0.11154 0.08122 = 0.07804 -0.02161 0.05087 -0.06761 AFIX 33 H42A 2 -0.131382 0.094374 0.259455 111.00000 -1.50000 H42B 2 -0.136928 0.150117 0.222101 111.00000 -1.50000 H42C 2 -0.085854 0.131748 0.263939 111.00000 -1.50000 AFIX 0 C421 1 -0.007175 0.026615 0.241336 111.00000 0.06588 0.08882 = 0.12924 0.06058 -0.00284 -0.03951 AFIX 33 H42D 2 -0.031265 0.003996 0.259739 111.00000 -1.50000 H42E 2 0.011823 0.043755 0.263585 111.00000 -1.50000 H42F 2 0.027545 0.000703 0.221560 111.00000 -1.50000 AFIX 0 PART 2 C469 1 -0.024387 0.056423 0.257658 -111.00000 0.13593 0.11864 = 0.07063 0.00327 0.00477 -0.08329 AFIX 33 H46A 2 -0.047955 0.034001 0.276994 -111.00000 -1.50000 H46B 2 -0.027254 0.090614 0.274147 -111.00000 -1.50000 H46C 2 0.021322 0.031549 0.253406 -111.00000 -1.50000 AFIX 0 C470 1 -0.045835 0.021820 0.181367 -111.00000 0.09169 0.05339 = 0.07378 -0.00117 0.02181 -0.04801 AFIX 33 H47A 2 -0.070003 -0.001024 0.199332 -111.00000 -1.50000 H47B 2 0.000417 -0.002277 0.179342 -111.00000 -1.50000 H47C 2 -0.062232 0.033933 0.148833 -111.00000 -1.50000 AFIX 0 C471 1 -0.127600 0.115760 0.209257 -111.00000 0.08702 0.08709 = 0.13363 -0.02672 0.05040 -0.03769 AFIX 33 H47D 2 -0.152590 0.093853 0.227495 -111.00000 -1.50000 H47E 2 -0.142906 0.126632 0.176354 -111.00000 -1.50000 H47F 2 -0.133471 0.151303 0.224891 -111.00000 -1.50000 AFIX 0 PART 0 C422 1 0.352901 0.419651 0.538464 11.00000 0.07286 0.17534 = 0.04488 -0.03938 0.00793 -0.05678 AFIX 33 H42G 2 0.332681 0.427711 0.570605 11.00000 -1.50000 H42H 2 0.361351 0.454311 0.523180 11.00000 -1.50000 H42I 2 0.393965 0.386386 0.541256 11.00000 -1.50000 AFIX 0 C423 1 0.290816 0.350794 0.530361 11.00000 0.18645 0.09535 = 0.03674 -0.01054 0.02863 -0.07531 AFIX 33 H42J 2 0.271399 0.358249 0.562796 11.00000 -1.50000 H42K 2 0.330867 0.316353 0.532294 11.00000 -1.50000 H42L 2 0.260120 0.343594 0.510502 11.00000 -1.50000 AFIX 0 C424 1 0.241932 0.458100 0.503182 11.00000 0.09073 0.09412 = 0.04177 -0.01155 0.01089 0.00743 AFIX 33 H42M 2 0.222227 0.466613 0.535396 11.00000 -1.50000 H42N 2 0.212014 0.448894 0.483967 11.00000 -1.50000 H42O 2 0.250778 0.492392 0.487485 11.00000 -1.50000 AFIX 0 C425 1 0.306694 0.404738 0.507466 11.00000 0.05375 0.05612 = 0.02422 -0.00910 0.00079 -0.01564 C426 1 0.336690 0.392316 0.456349 11.00000 0.03947 0.03310 = 0.03281 -0.00689 0.00034 -0.00284 C427 1 0.312304 0.376217 0.416915 11.00000 0.03381 0.04358 = 0.03160 -0.00457 0.00462 -0.01330 AFIX 43 H427 2 0.272151 0.370419 0.415489 11.00000 -1.20000 AFIX 0 C428 1 0.361463 0.370649 0.379824 11.00000 0.04123 0.02026 = 0.03086 -0.00116 -0.00266 -0.00722 C429 1 0.327420 0.325469 0.316365 11.00000 0.03273 0.02119 = 0.02766 -0.00046 -0.00290 -0.00529 C430 1 0.345946 0.306580 0.265437 11.00000 0.03035 0.02177 = 0.02378 0.00131 0.00147 -0.00408 C431 1 0.303054 0.287463 0.241815 11.00000 0.03409 0.02472 = 0.02939 -0.00147 0.00288 -0.01107 AFIX 43 H431 2 0.264124 0.285574 0.257673 11.00000 -1.20000 AFIX 0 C432 1 0.319853 0.271239 0.193872 11.00000 0.03493 0.02120 = 0.02283 -0.00096 0.00185 -0.01012 C433 1 0.381891 0.269070 0.174313 11.00000 0.03358 0.02723 = 0.02469 -0.00209 0.00110 -0.00867 AFIX 43 H433 2 0.396376 0.255218 0.143556 11.00000 -1.20000 AFIX 0 C434 1 0.421737 0.287481 0.200617 11.00000 0.02971 0.02138 = 0.03020 0.00047 -0.00341 -0.00502 C435 1 0.487261 0.287121 0.179051 11.00000 0.04804 0.02825 = 0.02777 -0.00269 0.00661 -0.01564 C436 1 0.568715 0.334828 0.172839 11.00000 0.04731 0.03903 = 0.04255 -0.00413 0.01236 -0.02168 C437 1 0.580589 0.387895 0.174032 11.00000 0.05544 0.03509 = 0.06767 -0.00847 0.02076 -0.02330 AFIX 43 H437 2 0.558406 0.419290 0.193241 11.00000 -1.20000 AFIX 0 C438 1 0.632623 0.383611 0.140366 11.00000 0.06379 0.05189 = 0.07803 -0.01731 0.02403 -0.03664 C439 1 0.662951 0.430348 0.121360 11.00000 0.08835 0.06577 = 0.09033 -0.00938 0.03487 -0.05331 C440 1 0.631144 0.485327 0.149751 11.00000 0.09279 0.04006 = 0.13220 -0.00580 0.03002 -0.03890 AFIX 33 H44A 2 0.649668 0.515349 0.137742 11.00000 -1.50000 H44B 2 0.639539 0.474506 0.184048 11.00000 -1.50000 H44C 2 0.584154 0.500821 0.145380 11.00000 -1.50000 AFIX 0 C441 1 0.646768 0.446223 0.067001 11.00000 0.17561 0.13506 = 0.10272 0.01819 0.02324 -0.11621 AFIX 33 H44D 2 0.664395 0.476347 0.053478 11.00000 -1.50000 H44E 2 0.599525 0.461161 0.063942 11.00000 -1.50000 H44F 2 0.666235 0.411116 0.049494 11.00000 -1.50000 AFIX 0 C442 1 0.738040 0.405476 0.124732 11.00000 0.09516 0.08405 = 0.12874 -0.03330 0.05694 -0.06384 AFIX 33 H44G 2 0.755802 0.435994 0.112654 11.00000 -1.50000 H44H 2 0.756349 0.371962 0.105291 11.00000 -1.50000 H44I 2 0.749359 0.392776 0.158381 11.00000 -1.50000 AFIX 0 SAME C501 CL18 CL19 CL17 SAME C501 CL19 CL18 CL17 SAME C501 CL67 CL68 CL69 C501 1 0.357762 -0.052467 0.638162 11.00000 0.10046 0.10828 = 0.11654 0.03647 -0.04045 0.00197 PART 1 AFIX 13 H501 2 0.322549 -0.018658 0.622215 121.00000 -1.20000 AFIX 13 PART 2 H502 2 0.325478 -0.018289 0.620067 -121.00000 -1.20000 AFIX 0 PART 1 CL17 5 0.326765 -0.078430 0.689870 121.00000 0.07920 0.13239 = 0.08122 0.02794 0.01051 0.01389 CL18 5 0.384626 -0.114042 0.599376 121.00000 0.11205 0.16110 = 0.07864 0.00425 -0.03073 0.03741 CL19 5 0.426690 -0.032879 0.642081 121.00000 0.11567 0.10267 = 0.27535 0.06546 -0.04978 -0.03721 PART 2 CL67 5 0.309859 -0.087000 0.672446 -121.00000 0.23045 0.31692 = 0.22621 0.07567 -0.00365 -0.05270 CL68 5 0.410299 -0.084327 0.596614 -121.00000 0.16176 0.18248 = 0.15929 0.00839 -0.01416 -0.04682 CL69 5 0.390286 -0.018718 0.680486 -121.00000 0.23445 0.21092 = 0.18351 -0.04518 -0.05605 0.00603 PART 0 HKLF 4 REM NilooJune19th in P-1 REM R1 = 0.0749 for 28891 Fo > 4sig(Fo) and 0.1050 for all 42801 data REM 2739 parameters refined using 12042 restraints END WGHT 0.1270 12.8938 REM Highest difference peak 2.455, deepest hole -1.251, 1-sigma level 0.100 Q1 1 0.4955 -0.2515 0.5179 11.00000 0.05 2.46 Q2 1 0.3954 -0.3952 0.4624 11.00000 0.05 1.95 Q3 1 0.7136 0.1917 0.0825 11.00000 0.05 1.57 Q4 1 0.5332 0.4095 0.4241 11.00000 0.05 1.19 Q5 1 0.5403 0.3703 0.4506 11.00000 0.05 1.00 Q6 1 0.2599 -0.2062 0.1618 11.00000 0.05 0.98 Q7 1 0.5801 0.2382 0.1084 11.00000 0.05 0.96 Q8 1 0.0407 0.4242 0.4790 11.00000 0.05 0.95 Q9 1 0.2728 0.4278 -0.0597 11.00000 0.05 0.89 Q10 1 0.6663 0.1614 -0.0197 11.00000 0.05 0.88 ; # start Validation Reply Form _vrf_PLAT213_mp ; PROBLEM: Atom C242 has ADP max/min Ratio ..... 6.0 oblate RESPONSE:This atom part of a disordered t-Bu group of a ligand in large metal cluster. Having increased displacement is not unexpected and it is likely such motion might be confined to a particular direction given the overall shape of the molecule. Regardless this is not a significantly distorted ADP. ; _vrf_PLAT413_mp ; PROBLEM: Short Inter XH3 .. XHn H10G .. H17M .. 1.83 Ang. RESPONSE: H-atoms were introduced in calculated positions and refined on a riding model. H10G to H17M are protons attached to disordered t-butyl groups on the ligand of a large cluster. ; _vrf_PLAT602_mp ; PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure ! Info RESPONSE: Squeeze procedure was applied... see above comments for details. ; # end Validation Reply Form _database_code_depnum_ccdc_archive 'CCDC 969764'