#============================================================================== data_global loop_ _journal_name_full 'European Journal of Chemistry' _journal_coden_ASTM EJCUA9 _journal_volume 12 _journal_issue 2 _journal_year 2021 _journal_page_first 159 _journal_page_last 164 #============================================================================== data_shelx _audit_creation_date 2021-01-14 _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C26 H23 Cl1 Cu1 N8 O6' _chemical_formula_sum 'C26 H23 Cl Cu N8 O6' _chemical_formula_weight 642.51 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cu' 'Cu' 0.3201 1.2651 '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 monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/c' _space_group_name_Hall '-P 2ybc' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 11.652(5) _cell_length_b 16.540(5) _cell_length_c 14.512(5) _cell_angle_alpha 90.000(5) _cell_angle_beta 93.495(5) _cell_angle_gamma 90.000(5) _cell_volume 2791.6(18) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 10940 _cell_measurement_theta_min 2.4025 _cell_measurement_theta_max 28.6612 _exptl_crystal_description prism _exptl_crystal_colour yellow _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_density_diffrn 1.529 _exptl_crystal_F_000 1316 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.09 _exptl_absorpt_coefficient_mu 0.935 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_absorpt_special_details ? _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Kappa CCD' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 15592 _diffrn_reflns_av_unetI/netI 0.0328 _diffrn_reflns_av_R_equivalents 0.0252 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.812 _diffrn_reflns_theta_max 29.402 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.862 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.862 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.862 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 6630 _reflns_number_gt 4967 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _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^)+(0.0649P)^2^+2.9201P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 6630 _refine_ls_number_parameters 381 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0715 _refine_ls_R_factor_gt 0.0496 _refine_ls_wR_factor_ref 0.1434 _refine_ls_wR_factor_gt 0.1269 _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_restrained_S_all 1.020 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Cu1 Cu 0.29977(3) 0.14058(2) 0.08351(2) 0.03453(12) Uani 1 1 d . . . . . Cl1 Cl 0.75334(13) 0.37856(10) -0.09013(10) 0.0961(4) Uani 1 1 d . . . . . O1 O 0.25904(16) 0.13838(13) -0.05937(14) 0.0397(5) Uani 1 1 d . . . . . O2 O 0.37152(16) 0.25905(13) 0.09063(15) 0.0441(5) Uani 1 1 d . . . . . N4 N -0.0505(2) 0.1211(2) -0.28760(19) 0.0525(7) Uani 1 1 d . . . . . N5 N 0.3236(2) 0.00404(15) 0.09021(16) 0.0388(5) Uani 1 1 d . . . . . N1 N 0.2442(2) 0.15367(15) 0.22637(17) 0.0419(6) Uani 1 1 d . . . . . N2 N 0.1230(2) 0.13668(15) 0.07159(16) 0.0385(5) Uani 1 1 d . . . . . O5 O 0.6351(4) 0.3711(3) -0.0860(4) 0.157(2) Uani 1 1 d . . . . . N6 N 0.4707(2) 0.12102(15) 0.11799(17) 0.0375(5) Uani 1 1 d . . . . . O3 O 0.7830(5) 0.3403(5) -0.1712(3) 0.207(4) Uani 1 1 d . . . . . N7 N 0.5391(2) 0.18809(15) 0.13479(17) 0.0391(5) Uani 1 1 d . . . . . N3 N 0.0714(2) 0.13000(17) -0.01570(17) 0.0428(6) Uani 1 1 d . . . . . H3 H -0.001234 0.124718 -0.028763 0.051 Uiso 1 1 calc R U . . . C26 C 0.6593(2) 0.32704(19) 0.1608(2) 0.0413(7) Uani 1 1 d . . . . . H26 H 0.693521 0.276981 0.172455 0.050 Uiso 1 1 calc R U . . . C9 C 0.1083(2) 0.13082(17) -0.17548(19) 0.0354(6) Uani 1 1 d . . . . . C8 C 0.1516(2) 0.13300(17) -0.07661(19) 0.0345(6) Uani 1 1 d . . . . . C5 C 0.1302(3) 0.14548(19) 0.2318(2) 0.0428(7) Uani 1 1 d . . . . . C21 C 0.4772(2) 0.25436(18) 0.11749(19) 0.0359(6) Uani 1 1 d . . . . . C20 C 0.6372(3) 0.0354(2) 0.1629(3) 0.0540(9) Uani 1 1 d . . . . . H20A H 0.678201 0.085772 0.166053 0.081 Uiso 1 1 calc R U . . . H20B H 0.672055 -0.000171 0.120470 0.081 Uiso 1 1 calc R U . . . H20C H 0.639807 0.011004 0.223004 0.081 Uiso 1 1 calc R U . . . C10 C -0.0077(3) 0.1232(2) -0.2005(2) 0.0468(8) Uani 1 1 d . . . . . H10 H -0.058616 0.119341 -0.153789 0.056 Uiso 1 1 calc R U . . . C18 C 0.4340(2) -0.01742(18) 0.11100(19) 0.0368(6) Uani 1 1 d . . . . . C13 C 0.1824(3) 0.1375(2) -0.2461(2) 0.0465(8) Uani 1 1 d . . . . . H13 H 0.261065 0.142981 -0.232576 0.056 Uiso 1 1 calc R U . . . C23 C 0.4952(3) 0.4056(2) 0.1180(2) 0.0451(7) Uani 1 1 d . . . . . H23 H 0.417520 0.409862 0.099730 0.054 Uiso 1 1 calc R U . . . C22 C 0.5437(2) 0.33058(18) 0.13264(19) 0.0364(6) Uani 1 1 d . . . . . C6 C 0.0626(3) 0.1347(2) 0.1427(2) 0.0468(8) Uani 1 1 d . . . . . C19 C 0.5147(2) 0.05049(18) 0.1304(2) 0.0368(6) Uani 1 1 d . . . . . C14 C 0.2464(3) -0.0542(2) 0.0704(2) 0.0474(7) Uani 1 1 d . . . . . H14 H 0.170604 -0.039387 0.055220 0.057 Uiso 1 1 calc R U . . . C16 C 0.3862(3) -0.1571(2) 0.0924(3) 0.0536(8) Uani 1 1 d . . . . . H16 H 0.407093 -0.211362 0.093357 0.064 Uiso 1 1 calc R U . . . C17 C 0.4681(3) -0.0977(2) 0.1124(2) 0.0463(7) Uani 1 1 d . . . . . H17 H 0.544478 -0.111532 0.126566 0.056 Uiso 1 1 calc R U . . . C24 C 0.5610(3) 0.4748(2) 0.1301(3) 0.0558(9) Uani 1 1 d . . . . . H24 H 0.528450 0.525722 0.120631 0.067 Uiso 1 1 calc R U . . . C4 C 0.0796(4) 0.1496(3) 0.3160(2) 0.0614(10) Uani 1 1 d . . . . . H4 H 0.000926 0.142137 0.319557 0.074 Uiso 1 1 calc R U . . . C12 C 0.1390(3) 0.1361(3) -0.3363(2) 0.0630(11) Uani 1 1 d . . . . . H12 H 0.187799 0.141097 -0.384390 0.076 Uiso 1 1 calc R U . . . C25 C 0.6758(3) 0.4665(2) 0.1565(3) 0.0545(9) Uani 1 1 d . . . . . H25 H 0.721725 0.512284 0.163926 0.065 Uiso 1 1 calc R U . . . C11 C 0.0230(3) 0.1274(3) -0.3543(2) 0.0630(11) Uani 1 1 d . . . . . H11 H -0.005783 0.125678 -0.415483 0.076 Uiso 1 1 calc R U . . . C7 C -0.0642(3) 0.1238(4) 0.1383(3) 0.0921(18) Uani 1 1 d . . . . . H7A H -0.100864 0.172484 0.115558 0.138 Uiso 1 1 calc R U . . . H7B H -0.088575 0.112226 0.198960 0.138 Uiso 1 1 calc R U . . . H7C H -0.085220 0.079779 0.097661 0.138 Uiso 1 1 calc R U . . . C1 C 0.3094(3) 0.1689(2) 0.3033(2) 0.0505(8) Uani 1 1 d . . . . . H1 H 0.388130 0.175458 0.298953 0.061 Uiso 1 1 calc R U . . . C15 C 0.2745(3) -0.1352(2) 0.0714(2) 0.0521(8) Uani 1 1 d . . . . . H15 H 0.218475 -0.174262 0.058035 0.062 Uiso 1 1 calc R U . . . C2 C 0.2650(4) 0.1752(2) 0.3887(2) 0.0597(10) Uani 1 1 d . . . . . H2 H 0.312481 0.186070 0.441107 0.072 Uiso 1 1 calc R U . . . O4 O 0.8070(5) 0.3357(3) -0.0189(3) 0.1398(18) Uani 1 1 d . . . . . C3 C 0.1496(4) 0.1653(3) 0.3944(2) 0.0695(11) Uani 1 1 d . . . . . H3A H 0.117685 0.168957 0.451406 0.083 Uiso 1 1 calc R U . . . O6 O 0.7833(9) 0.4508(4) -0.0953(8) 0.322(6) Uani 1 1 d . . . . . N8 N 0.7221(2) 0.39351(16) 0.17160(18) 0.0432(6) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cu1 0.02414(17) 0.0464(2) 0.03205(19) 0.00121(14) -0.00614(12) -0.00220(14) Cl1 0.0959(9) 0.1156(11) 0.0784(8) 0.0337(7) 0.0190(7) 0.0068(8) O1 0.0249(9) 0.0603(13) 0.0332(10) 0.0019(9) -0.0032(7) -0.0004(9) O2 0.0313(10) 0.0476(12) 0.0518(13) 0.0065(10) -0.0104(9) -0.0023(9) N4 0.0321(13) 0.083(2) 0.0408(15) 0.0013(14) -0.0093(11) -0.0009(13) N5 0.0341(12) 0.0460(14) 0.0359(13) 0.0003(10) -0.0024(10) -0.0025(11) N1 0.0430(14) 0.0465(14) 0.0353(13) -0.0012(11) -0.0048(10) -0.0014(11) N2 0.0306(11) 0.0563(15) 0.0282(12) -0.0021(10) -0.0025(9) -0.0007(11) O5 0.107(4) 0.183(5) 0.186(6) 0.021(4) 0.055(4) 0.049(3) N6 0.0309(11) 0.0418(13) 0.0390(13) 0.0001(10) -0.0032(10) -0.0038(10) O3 0.123(4) 0.433(11) 0.070(3) 0.031(4) 0.035(3) 0.087(5) N7 0.0302(11) 0.0408(13) 0.0451(14) -0.0011(11) -0.0061(10) -0.0032(11) N3 0.0254(11) 0.0715(18) 0.0308(12) -0.0026(11) -0.0040(9) -0.0032(11) C26 0.0350(14) 0.0446(16) 0.0433(16) -0.0035(13) -0.0068(12) 0.0006(13) C9 0.0294(13) 0.0448(16) 0.0313(14) 0.0013(11) -0.0036(10) 0.0012(12) C8 0.0291(13) 0.0429(15) 0.0309(14) 0.0008(11) -0.0028(10) 0.0005(12) C5 0.0455(16) 0.0520(17) 0.0307(14) -0.0041(13) 0.0009(12) -0.0020(14) C21 0.0321(13) 0.0460(16) 0.0292(13) 0.0026(11) -0.0025(10) -0.0027(12) C20 0.0354(15) 0.0517(19) 0.073(2) -0.0028(17) -0.0090(15) 0.0039(15) C10 0.0295(14) 0.076(2) 0.0348(16) 0.0025(14) -0.0022(11) -0.0022(14) C18 0.0365(14) 0.0452(16) 0.0286(14) 0.0019(11) 0.0012(11) -0.0001(13) C13 0.0301(14) 0.073(2) 0.0361(16) 0.0031(15) -0.0007(11) -0.0004(14) C23 0.0333(15) 0.0496(18) 0.0516(19) -0.0014(14) -0.0051(13) 0.0019(14) C22 0.0312(13) 0.0452(15) 0.0323(14) -0.0019(12) -0.0029(11) -0.0002(12) C6 0.0344(14) 0.073(2) 0.0333(15) -0.0051(14) 0.0015(12) -0.0026(15) C19 0.0313(13) 0.0444(16) 0.0345(14) -0.0001(12) 0.0000(11) 0.0025(12) C14 0.0373(16) 0.0557(19) 0.0485(18) -0.0002(15) -0.0040(13) -0.0064(15) C16 0.059(2) 0.0429(18) 0.059(2) -0.0025(15) 0.0066(17) -0.0010(16) C17 0.0421(16) 0.0474(17) 0.0491(18) -0.0004(14) 0.0013(13) 0.0011(14) C24 0.0453(18) 0.0423(17) 0.078(3) 0.0004(17) -0.0084(17) 0.0038(15) C4 0.064(2) 0.085(3) 0.0359(18) -0.0042(17) 0.0091(16) -0.002(2) C12 0.0434(18) 0.113(3) 0.0328(17) 0.0058(18) 0.0034(14) 0.004(2) C25 0.0461(18) 0.0444(18) 0.071(2) -0.0052(16) -0.0091(16) -0.0064(15) C11 0.0479(19) 0.108(3) 0.0318(17) 0.0007(18) -0.0075(14) 0.002(2) C7 0.0379(19) 0.191(6) 0.048(2) -0.012(3) 0.0078(16) -0.015(3) C1 0.060(2) 0.0456(17) 0.0438(18) -0.0009(14) -0.0152(15) -0.0035(16) C15 0.0517(19) 0.0520(19) 0.052(2) -0.0038(15) 0.0014(15) -0.0132(16) C2 0.084(3) 0.054(2) 0.0378(18) -0.0072(15) -0.0184(17) 0.005(2) O4 0.184(5) 0.147(4) 0.083(3) 0.004(3) -0.034(3) 0.032(3) C3 0.096(3) 0.082(3) 0.0300(17) -0.0046(17) 0.0070(18) 0.006(2) O6 0.344(12) 0.121(5) 0.487(16) 0.105(7) -0.071(10) -0.119(6) N8 0.0343(12) 0.0482(15) 0.0457(15) -0.0052(12) -0.0074(10) -0.0037(12) _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 N6 2.050(2) . y Cu1 N2 2.058(3) . y Cu1 O1 2.099(2) . y Cu1 O2 2.130(2) . y Cu1 N1 2.220(3) . y Cu1 N5 2.277(3) . y Cl1 O6 1.248(6) . ? Cl1 O4 1.372(4) . ? Cl1 O5 1.388(5) . ? Cl1 O3 1.398(6) . ? O1 C8 1.264(3) . y O2 C21 1.271(3) . y N4 C10 1.331(4) . ? N4 C11 1.335(5) . ? N5 C14 1.337(4) . ? N5 C18 1.350(4) . ? N1 C1 1.336(4) . ? N1 C5 1.341(4) . ? N2 C6 1.284(4) . ? N2 N3 1.373(3) . ? N6 C19 1.282(4) . ? N6 N7 1.378(3) . ? N7 C21 1.327(4) . ? N3 C8 1.326(4) . ? N3 H3 0.8600 . ? C26 N8 1.325(4) . ? C26 C22 1.385(4) . ? C26 H26 0.9300 . ? C9 C10 1.384(4) . ? C9 C13 1.384(4) . ? C9 C8 1.492(4) . ? C5 C4 1.391(5) . ? C5 C6 1.483(4) . ? C21 C22 1.489(4) . ? C20 C19 1.496(4) . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C10 H10 0.9300 . ? C18 C17 1.386(4) . ? C18 C19 1.481(4) . ? C13 C12 1.374(5) . ? C13 H13 0.9300 . ? C23 C22 1.375(4) . ? C23 C24 1.383(5) . ? C23 H23 0.9300 . ? C6 C7 1.487(5) . ? C14 C15 1.380(5) . ? C14 H14 0.9300 . ? C16 C15 1.367(5) . ? C16 C17 1.388(5) . ? C16 H16 0.9300 . ? C17 H17 0.9300 . ? C24 C25 1.376(5) . ? C24 H24 0.9300 . ? C4 C3 1.383(5) . ? C4 H4 0.9300 . ? C12 C11 1.369(5) . ? C12 H12 0.9300 . ? C25 N8 1.335(4) . ? C25 H25 0.9300 . ? C11 H11 0.9300 . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C1 C2 1.376(5) . ? C1 H1 0.9300 . ? C15 H15 0.9300 . ? C2 C3 1.362(6) . ? C2 H2 0.9300 . ? C3 H3A 0.9300 . ? 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 N6 Cu1 N2 165.60(10) . . y N6 Cu1 O1 113.34(9) . . y N2 Cu1 O1 75.61(8) . . y N6 Cu1 O2 76.15(9) . . y N2 Cu1 O2 114.89(9) . . y O1 Cu1 O2 97.37(8) . . y N6 Cu1 N1 97.01(10) . . y N2 Cu1 N1 74.57(9) . . y O1 Cu1 N1 149.64(9) . . y O2 Cu1 N1 90.06(9) . . y N6 Cu1 N5 73.66(9) . . y N2 Cu1 N5 95.25(9) . . y O1 Cu1 N5 92.56(8) . . y O2 Cu1 N5 149.74(8) . . y N1 Cu1 N5 95.66(9) . . y O6 Cl1 O4 115.1(5) . . ? O6 Cl1 O5 111.7(6) . . ? O4 Cl1 O5 109.2(4) . . ? O6 Cl1 O3 107.4(7) . . ? O4 Cl1 O3 106.0(3) . . ? O5 Cl1 O3 107.0(4) . . ? C8 O1 Cu1 110.99(18) . . ? C21 O2 Cu1 109.19(18) . . ? C10 N4 C11 117.8(3) . . ? C14 N5 C18 118.6(3) . . ? C14 N5 Cu1 128.8(2) . . ? C18 N5 Cu1 112.49(19) . . ? C1 N1 C5 119.0(3) . . ? C1 N1 Cu1 128.0(2) . . ? C5 N1 Cu1 113.04(19) . . ? C6 N2 N3 120.6(2) . . y C6 N2 Cu1 121.8(2) . . ? N3 N2 Cu1 117.38(18) . . ? C19 N6 N7 119.1(2) . . y C19 N6 Cu1 123.5(2) . . ? N7 N6 Cu1 117.28(18) . . ? C21 N7 N6 109.3(2) . . y C8 N3 N2 109.0(2) . . y C8 N3 H3 125.5 . . ? N2 N3 H3 125.5 . . ? N8 C26 C22 121.4(3) . . ? N8 C26 H26 119.3 . . ? C22 C26 H26 119.3 . . ? C10 C9 C13 117.2(3) . . ? C10 C9 C8 121.5(3) . . ? C13 C9 C8 121.4(3) . . ? O1 C8 N3 126.9(3) . . ? O1 C8 C9 117.7(2) . . ? N3 C8 C9 115.4(2) . . ? N1 C5 C4 121.4(3) . . ? N1 C5 C6 115.8(3) . . ? C4 C5 C6 122.7(3) . . ? O2 C21 N7 127.8(3) . . ? O2 C21 C22 118.6(3) . . ? N7 C21 C22 113.5(2) . . ? C19 C20 H20A 109.5 . . ? C19 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C19 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? N4 C10 C9 123.7(3) . . ? N4 C10 H10 118.1 . . ? C9 C10 H10 118.1 . . ? N5 C18 C17 121.6(3) . . ? N5 C18 C19 115.4(3) . . ? C17 C18 C19 123.1(3) . . ? C12 C13 C9 119.6(3) . . ? C12 C13 H13 120.2 . . ? C9 C13 H13 120.2 . . ? C22 C23 C24 120.5(3) . . ? C22 C23 H23 119.7 . . ? C24 C23 H23 119.7 . . ? C23 C22 C26 117.8(3) . . ? C23 C22 C21 122.4(3) . . ? C26 C22 C21 119.7(3) . . ? N2 C6 C5 114.2(3) . . ? N2 C6 C7 124.1(3) . . ? C5 C6 C7 121.7(3) . . ? N6 C19 C18 114.8(2) . . ? N6 C19 C20 124.1(3) . . ? C18 C19 C20 121.1(3) . . ? N5 C14 C15 122.8(3) . . ? N5 C14 H14 118.6 . . ? C15 C14 H14 118.6 . . ? C15 C16 C17 119.5(3) . . ? C15 C16 H16 120.2 . . ? C17 C16 H16 120.2 . . ? C18 C17 C16 118.8(3) . . ? C18 C17 H17 120.6 . . ? C16 C17 H17 120.6 . . ? C25 C24 C23 118.3(3) . . ? C25 C24 H24 120.8 . . ? C23 C24 H24 120.8 . . ? C3 C4 C5 118.1(4) . . ? C3 C4 H4 120.9 . . ? C5 C4 H4 120.9 . . ? C11 C12 C13 119.0(3) . . ? C11 C12 H12 120.5 . . ? C13 C12 H12 120.5 . . ? N8 C25 C24 120.9(3) . . ? N8 C25 H25 119.6 . . ? C24 C25 H25 119.6 . . ? N4 C11 C12 122.7(3) . . ? N4 C11 H11 118.7 . . ? C12 C11 H11 118.7 . . ? C6 C7 H7A 109.5 . . ? C6 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C6 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? N1 C1 C2 122.8(4) . . ? N1 C1 H1 118.6 . . ? C2 C1 H1 118.6 . . ? C16 C15 C14 118.8(3) . . ? C16 C15 H15 120.6 . . ? C14 C15 H15 120.6 . . ? C3 C2 C1 118.1(3) . . ? C3 C2 H2 120.9 . . ? C1 C2 H2 120.9 . . ? C2 C3 C4 120.5(4) . . ? C2 C3 H3A 119.7 . . ? C4 C3 H3A 119.7 . . ? C26 N8 C25 121.1(3) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C19 N6 N7 C21 179.8(3) . . . . ? Cu1 N6 N7 C21 -4.7(3) . . . . ? C6 N2 N3 C8 -179.4(3) . . . . ? Cu1 N2 N3 C8 -4.2(3) . . . . ? Cu1 O1 C8 N3 0.8(4) . . . . ? Cu1 O1 C8 C9 179.93(19) . . . . ? N2 N3 C8 O1 2.2(4) . . . . ? N2 N3 C8 C9 -176.9(2) . . . . ? C10 C9 C8 O1 178.5(3) . . . . ? C13 C9 C8 O1 -2.4(4) . . . . ? C10 C9 C8 N3 -2.2(4) . . . . ? C13 C9 C8 N3 176.8(3) . . . . ? C1 N1 C5 C4 -2.3(5) . . . . ? Cu1 N1 C5 C4 178.3(3) . . . . ? C1 N1 C5 C6 175.7(3) . . . . ? Cu1 N1 C5 C6 -3.7(3) . . . . ? Cu1 O2 C21 N7 3.2(4) . . . . ? Cu1 O2 C21 C22 -176.6(2) . . . . ? N6 N7 C21 O2 0.7(4) . . . . ? N6 N7 C21 C22 -179.4(2) . . . . ? C11 N4 C10 C9 -0.6(6) . . . . ? C13 C9 C10 N4 0.8(5) . . . . ? C8 C9 C10 N4 179.9(3) . . . . ? C14 N5 C18 C17 -0.2(4) . . . . ? Cu1 N5 C18 C17 -175.7(2) . . . . ? C14 N5 C18 C19 178.9(3) . . . . ? Cu1 N5 C18 C19 3.5(3) . . . . ? C10 C9 C13 C12 -0.2(5) . . . . ? C8 C9 C13 C12 -179.3(3) . . . . ? C24 C23 C22 C26 0.8(5) . . . . ? C24 C23 C22 C21 -178.0(3) . . . . ? N8 C26 C22 C23 -1.4(5) . . . . ? N8 C26 C22 C21 177.4(3) . . . . ? O2 C21 C22 C23 -0.5(4) . . . . ? N7 C21 C22 C23 179.6(3) . . . . ? O2 C21 C22 C26 -179.2(3) . . . . ? N7 C21 C22 C26 0.9(4) . . . . ? N3 N2 C6 C5 -178.0(3) . . . . ? Cu1 N2 C6 C5 7.0(4) . . . . ? N3 N2 C6 C7 1.2(6) . . . . ? Cu1 N2 C6 C7 -173.8(4) . . . . ? N1 C5 C6 N2 -1.6(4) . . . . ? C4 C5 C6 N2 176.3(3) . . . . ? N1 C5 C6 C7 179.2(4) . . . . ? C4 C5 C6 C7 -2.9(6) . . . . ? N7 N6 C19 C18 179.7(2) . . . . ? Cu1 N6 C19 C18 4.5(4) . . . . ? N7 N6 C19 C20 0.2(5) . . . . ? Cu1 N6 C19 C20 -174.9(2) . . . . ? N5 C18 C19 N6 -5.1(4) . . . . ? C17 C18 C19 N6 174.0(3) . . . . ? N5 C18 C19 C20 174.3(3) . . . . ? C17 C18 C19 C20 -6.6(5) . . . . ? C18 N5 C14 C15 0.9(5) . . . . ? Cu1 N5 C14 C15 175.5(2) . . . . ? N5 C18 C17 C16 -0.3(5) . . . . ? C19 C18 C17 C16 -179.4(3) . . . . ? C15 C16 C17 C18 0.4(5) . . . . ? C22 C23 C24 C25 0.4(5) . . . . ? N1 C5 C4 C3 2.1(6) . . . . ? C6 C5 C4 C3 -175.7(4) . . . . ? C9 C13 C12 C11 -0.6(6) . . . . ? C23 C24 C25 N8 -1.1(6) . . . . ? C10 N4 C11 C12 -0.3(6) . . . . ? C13 C12 C11 N4 0.9(7) . . . . ? C5 N1 C1 C2 1.1(5) . . . . ? Cu1 N1 C1 C2 -179.6(3) . . . . ? C17 C16 C15 C14 0.2(5) . . . . ? N5 C14 C15 C16 -0.9(5) . . . . ? N1 C1 C2 C3 0.2(5) . . . . ? C1 C2 C3 C4 -0.4(6) . . . . ? C5 C4 C3 C2 -0.8(6) . . . . ? C22 C26 N8 C25 0.7(5) . . . . ? C24 C25 N8 C26 0.6(5) . . . . ? 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 _geom_hbond_publ_flag C20 H20B O1 0.96 2.60 3.494(4) 155.6 3_655 yes C17 H17 O1 0.93 2.58 3.385(4) 144.9 3_655 yes C24 H24 O5 0.93 2.59 3.457(6) 156.3 3_665 yes C4 H4 O3 0.93 2.57 3.477(7) 165.8 4_466 yes C11 H11 O4 0.93 2.65 3.418(6) 140.4 4_465 yes C7 H7B O3 0.96 2.60 3.429(6) 145.0 4_466 yes C2 H2 O2 0.93 2.41 3.296(4) 158.5 4_566 yes _refine_diff_density_max 0.626 _refine_diff_density_min -0.755 _refine_diff_density_rms 0.068 _shelx_res_file ; TITL MII-C2DS002 in P2(1)/c shelx.res created by SHELXL-2018/3 at 22:41:23 on 14-Jan-2021 CELL 0.71073 11.652 16.54 14.512 90 93.495 90 ZERR 4 0.005 0.005 0.005 0.005 0.005 0.005 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Cl Cu N O UNIT 104 92 4 4 32 24 EQIV $1 1-X,-Y,-Z EQIV $2 1-X,1-Y,-Z EQIV $3 -1+X,0.5-Y,0.5+Z EQIV $4 -1+X,0.5-Y,-0.5+Z EQIV $5 +X,0.5-Y,0.5+Z L.S. 10 PLAN 25 HTAB C20 O1_$1 HTAB C17 O1_$1 HTAB C24 O5_$2 HTAB C4 O3_$3 HTAB C11 O4_$4 HTAB C7 O3_$3 HTAB C2 O2_$5 MPLA N2 O2 N5 N6 MPLA O1 N5 O2 N1 CONF MORE -1 BOND $H HTAB fmap 2 acta MERG 2 REM REM REM WGHT 0.064900 2.920100 FVAR 1.69115 CU1 4 0.299774 0.140581 0.083510 11.00000 0.02414 0.04644 = 0.03205 0.00121 -0.00614 -0.00220 CL1 3 0.753339 0.378558 -0.090129 11.00000 0.09587 0.11562 = 0.07837 0.03373 0.01899 0.00681 O1 6 0.259039 0.138379 -0.059375 11.00000 0.02485 0.06031 = 0.03323 0.00190 -0.00323 -0.00039 O2 6 0.371520 0.259046 0.090635 11.00000 0.03132 0.04760 = 0.05184 0.00649 -0.01037 -0.00229 N4 5 -0.050532 0.121088 -0.287604 11.00000 0.03211 0.08315 = 0.04083 0.00126 -0.00933 -0.00095 N5 5 0.323642 0.004043 0.090209 11.00000 0.03412 0.04596 = 0.03590 0.00031 -0.00242 -0.00253 N1 5 0.244173 0.153667 0.226366 11.00000 0.04296 0.04653 = 0.03532 -0.00118 -0.00485 -0.00135 N2 5 0.122974 0.136678 0.071593 11.00000 0.03064 0.05629 = 0.02816 -0.00210 -0.00253 -0.00069 O5 6 0.635123 0.371067 -0.086036 11.00000 0.10671 0.18317 = 0.18612 0.02075 0.05501 0.04921 N6 5 0.470741 0.121021 0.117986 11.00000 0.03092 0.04185 = 0.03900 0.00013 -0.00317 -0.00383 O3 6 0.782989 0.340295 -0.171187 11.00000 0.12332 0.43255 = 0.06984 0.03121 0.03503 0.08739 N7 5 0.539058 0.188094 0.134795 11.00000 0.03022 0.04082 = 0.04514 -0.00111 -0.00607 -0.00320 N3 5 0.071366 0.129997 -0.015703 11.00000 0.02541 0.07153 = 0.03077 -0.00257 -0.00397 -0.00320 AFIX 43 H3 2 -0.001234 0.124718 -0.028763 11.00000 -1.20000 AFIX 0 C26 1 0.659298 0.327044 0.160839 11.00000 0.03496 0.04456 = 0.04328 -0.00347 -0.00678 0.00058 AFIX 43 H26 2 0.693521 0.276981 0.172455 11.00000 -1.20000 AFIX 0 C9 1 0.108305 0.130819 -0.175481 11.00000 0.02935 0.04477 = 0.03131 0.00131 -0.00364 0.00124 C8 1 0.151623 0.133003 -0.076612 11.00000 0.02913 0.04292 = 0.03088 0.00084 -0.00279 0.00046 C5 1 0.130246 0.145479 0.231820 11.00000 0.04550 0.05201 = 0.03074 -0.00409 0.00090 -0.00200 C21 1 0.477173 0.254356 0.117491 11.00000 0.03208 0.04596 = 0.02924 0.00262 -0.00255 -0.00272 C20 1 0.637160 0.035424 0.162900 11.00000 0.03545 0.05169 = 0.07342 -0.00284 -0.00904 0.00391 AFIX 137 H20A 2 0.678201 0.085772 0.166053 11.00000 -1.50000 H20B 2 0.672055 -0.000171 0.120470 11.00000 -1.50000 H20C 2 0.639807 0.011004 0.223004 11.00000 -1.50000 AFIX 0 C10 1 -0.007685 0.123203 -0.200504 11.00000 0.02948 0.07575 = 0.03478 0.00250 -0.00218 -0.00221 AFIX 43 H10 2 -0.058616 0.119341 -0.153789 11.00000 -1.20000 AFIX 0 C18 1 0.433999 -0.017417 0.110999 11.00000 0.03650 0.04516 = 0.02855 0.00192 0.00117 -0.00012 C13 1 0.182395 0.137545 -0.246093 11.00000 0.03005 0.07292 = 0.03608 0.00314 -0.00074 -0.00042 AFIX 43 H13 2 0.261065 0.142981 -0.232576 11.00000 -1.20000 AFIX 0 C23 1 0.495195 0.405611 0.117962 11.00000 0.03330 0.04957 = 0.05155 -0.00135 -0.00512 0.00187 AFIX 43 H23 2 0.417520 0.409862 0.099730 11.00000 -1.20000 AFIX 0 C22 1 0.543674 0.330581 0.132637 11.00000 0.03115 0.04524 = 0.03227 -0.00189 -0.00293 -0.00020 C6 1 0.062648 0.134705 0.142728 11.00000 0.03441 0.07265 = 0.03330 -0.00513 0.00148 -0.00257 C19 1 0.514692 0.050488 0.130440 11.00000 0.03129 0.04442 = 0.03453 -0.00007 0.00004 0.00247 C14 1 0.246429 -0.054159 0.070364 11.00000 0.03733 0.05570 = 0.04849 -0.00019 -0.00398 -0.00642 AFIX 43 H14 2 0.170604 -0.039387 0.055220 11.00000 -1.20000 AFIX 0 C16 1 0.386157 -0.157096 0.092446 11.00000 0.05948 0.04293 = 0.05879 -0.00255 0.00662 -0.00099 AFIX 43 H16 2 0.407093 -0.211362 0.093357 11.00000 -1.20000 AFIX 0 C17 1 0.468065 -0.097694 0.112444 11.00000 0.04212 0.04739 = 0.04907 -0.00036 0.00131 0.00107 AFIX 43 H17 2 0.544478 -0.111532 0.126566 11.00000 -1.20000 AFIX 0 C24 1 0.560989 0.474826 0.130089 11.00000 0.04532 0.04232 = 0.07824 0.00039 -0.00835 0.00379 AFIX 43 H24 2 0.528450 0.525722 0.120631 11.00000 -1.20000 AFIX 0 C4 1 0.079638 0.149642 0.316036 11.00000 0.06364 0.08544 = 0.03593 -0.00422 0.00911 -0.00229 AFIX 43 H4 2 0.000926 0.142137 0.319557 11.00000 -1.20000 AFIX 0 C12 1 0.139041 0.136146 -0.336298 11.00000 0.04335 0.11312 = 0.03279 0.00578 0.00344 0.00375 AFIX 43 H12 2 0.187799 0.141097 -0.384390 11.00000 -1.20000 AFIX 0 C25 1 0.675797 0.466481 0.156500 11.00000 0.04610 0.04444 = 0.07126 -0.00523 -0.00911 -0.00640 AFIX 43 H25 2 0.721725 0.512284 0.163926 11.00000 -1.20000 AFIX 0 C11 1 0.022992 0.127354 -0.354314 11.00000 0.04786 0.10831 = 0.03176 0.00072 -0.00750 0.00196 AFIX 43 H11 2 -0.005783 0.125678 -0.415483 11.00000 -1.20000 AFIX 0 C7 1 -0.064245 0.123835 0.138338 11.00000 0.03793 0.19094 = 0.04798 -0.01175 0.00783 -0.01474 AFIX 137 H7A 2 -0.100864 0.172484 0.115558 11.00000 -1.50000 H7B 2 -0.088575 0.112226 0.198960 11.00000 -1.50000 H7C 2 -0.085220 0.079779 0.097661 11.00000 -1.50000 AFIX 0 C1 1 0.309378 0.168884 0.303302 11.00000 0.05988 0.04562 = 0.04379 -0.00087 -0.01521 -0.00354 AFIX 43 H1 2 0.388130 0.175458 0.298953 11.00000 -1.20000 AFIX 0 C15 1 0.274491 -0.135234 0.071402 11.00000 0.05166 0.05197 = 0.05232 -0.00381 0.00142 -0.01323 AFIX 43 H15 2 0.218475 -0.174262 0.058035 11.00000 -1.20000 AFIX 0 C2 1 0.265015 0.175247 0.388708 11.00000 0.08442 0.05428 = 0.03780 -0.00718 -0.01840 0.00487 AFIX 43 H2 2 0.312481 0.186070 0.441107 11.00000 -1.20000 AFIX 0 O4 6 0.807011 0.335701 -0.018917 11.00000 0.18421 0.14749 = 0.08266 0.00383 -0.03350 0.03220 C3 1 0.149639 0.165252 0.394376 11.00000 0.09626 0.08249 = 0.03000 -0.00455 0.00695 0.00647 AFIX 43 H3A 2 0.117685 0.168957 0.451406 11.00000 -1.20000 AFIX 0 O6 6 0.783273 0.450763 -0.095322 11.00000 0.34415 0.12143 = 0.48720 0.10512 -0.07093 -0.11869 N8 5 0.722131 0.393512 0.171605 11.00000 0.03434 0.04822 = 0.04569 -0.00519 -0.00737 -0.00371 HKLF 4 REM MII-C2DS002 in P2(1)/c REM wR2 = 0.1434, GooF = S = 1.020, Restrained GooF = 1.020 for all data REM R1 = 0.0496 for 4967 Fo > 4sig(Fo) and 0.0715 for all 6630 data REM 381 parameters refined using 0 restraints END WGHT 0.0646 2.9383 REM Instructions for potential hydrogen bonds HTAB C20 O1_$1 HTAB C17 O1_$1 HTAB C24 O5_$2 HTAB C4 O3_$3 HTAB C11 O4_$4 HTAB C7 O3_$3 HTAB C2 O2_$5 REM Highest difference peak 0.626, deepest hole -0.755, 1-sigma level 0.068 Q1 1 0.7767 0.3151 -0.1669 11.00000 0.05 0.63 Q2 1 0.7913 0.4217 -0.0740 11.00000 0.05 0.60 Q3 1 0.8207 0.4302 -0.1509 11.00000 0.05 0.58 Q4 1 0.6726 0.4398 -0.0748 11.00000 0.05 0.52 Q5 1 0.8314 0.4593 -0.0163 11.00000 0.05 0.52 Q6 1 0.7982 0.3935 0.1904 11.00000 0.05 0.51 Q7 1 -0.0823 -0.0155 -0.4574 11.00000 0.05 0.32 Q8 1 0.8159 0.3168 -0.0031 11.00000 0.05 0.26 Q9 1 -0.1375 0.1310 -0.2883 11.00000 0.05 0.26 Q10 1 0.7226 0.3333 -0.0293 11.00000 0.05 0.25 Q11 1 0.6019 0.3278 0.1395 11.00000 0.05 0.23 Q12 1 -0.1026 0.1722 0.1726 11.00000 0.05 0.22 Q13 1 0.0295 0.0223 -0.5199 11.00000 0.05 0.22 Q14 1 0.1959 0.1345 0.0736 11.00000 0.05 0.22 Q15 1 -0.1025 0.1304 0.0745 11.00000 0.05 0.22 Q16 1 -0.0877 0.1441 0.0607 11.00000 0.05 0.21 Q17 1 0.3206 0.1426 0.0640 11.00000 0.05 0.21 Q18 1 0.1248 0.1320 -0.1381 11.00000 0.05 0.21 Q19 1 0.9189 0.4714 -0.0026 11.00000 0.05 0.20 Q20 1 0.2979 0.0646 0.1368 11.00000 0.05 0.20 Q21 1 0.0626 0.0955 -0.1954 11.00000 0.05 0.19 Q22 1 -0.0795 0.0578 0.1863 11.00000 0.05 0.19 Q23 1 0.4030 0.1301 0.1057 11.00000 0.05 0.19 Q24 1 0.3331 0.1922 0.1058 11.00000 0.05 0.18 Q25 1 0.6349 -0.0244 0.1761 11.00000 0.05 0.18 ; _shelx_res_checksum 50263 _shelx_hkl_file ; 0 0 2 8034.22 141.269 2 0 0 -3 16.0274 16.2390 2 0 0 3-1.37390 16.8757 2 0 0 4 366333. 4954.35 2 0 0 -4 370526. 4953.85 2 0 0 5 11.1323 24.5145 2 0 0 -5 16.9626 20.0244 2 0 0 6 57057.4 864.520 2 0 0 -6 55955.8 861.887 2 0 0 7-49.5751 31.7906 2 0 0 8 926.233 68.7954 2 0 0 9-26.0052 33.1890 2 0 0 10 6965.57 223.088 2 0 0 11 10.8751 33.6580 2 0 0 12 11025.7 318.378 2 0 0 13 57.0063 41.7239 2 0 0 14 1355.63 114.215 2 0 0 15 11.4609 35.8057 2 0 0 16 140.566 54.6348 2 0 0 17 37.6297 46.0368 2 0 0 18 701.380 100.644 2 0 1 2 20183.8 310.785 2 0 -1 3 6655.80 134.319 2 0 1 3 6480.17 138.888 2 0 -1 -3 6543.65 139.042 2 0 -1 4 6410.05 144.452 2 0 1 4 6526.78 151.156 2 0 -1 -4 6442.22 149.060 2 0 -1 -5 22701.3 392.774 2 0 -1 5 23677.4 388.642 2 0 1 5 21515.7 390.600 2 0 1 6 24137.9 429.184 2 0 -1 6 23806.3 421.030 2 0 -1 -6 24195.0 429.608 2 0 -1 7 17535.2 349.128 2 0 -1 -7 17999.2 356.484 2 0 1 7 17651.5 356.717 2 0 1 8 1252.58 81.2820 2 0 -1 8 1249.40 79.3102 2 0 -1 -8 1343.82 82.8972 2 0 1 9 515.433 58.6948 2 0 -1 -9 580.967 61.6547 2 0 -1 9 422.233 52.6477 2 0 1 10 109.775 33.6985 2 0 -1 10 148.824 43.6634 2 0 1 11 265.895 50.2337 2 0 -1 11 309.108 54.2027 2 0 1 -12 5026.31 207.937 1 0 1 12 5325.00 211.395 2 0 -1 12 5276.84 206.851 2 0 1 13 2347.26 145.889 2 0 -1 13 1909.15 130.612 2 0 -1 14 1359.12 112.783 2 0 1 14 1298.75 114.667 2 0 -1 15 334.207 67.7798 2 0 1 15 490.861 79.2188 2 0 1 16 1027.70 110.764 2 0 -1 16 889.856 102.008 2 0 -1 17 139.353 56.9807 2 0 1 17-44.5084 48.4207 2 0 -1 18-38.9962 48.2373 2 0 1 18-27.3835 42.0386 2 0 2 1 12403.7 200.662 2 0 -2 2 169.565 18.9814 1 0 2 2 162.747 21.2446 2 0 -2 -2 186.245 21.4780 2 0 2 -2 144.411 17.2672 1 0 2 3 52212.3 765.424 2 0 -2 -3 52614.1 765.307 2 0 2 -3 53577.6 757.227 1 0 2 -4 1696.39 67.7587 1 0 2 4 1718.22 71.9289 2 0 -2 -4 1702.78 69.5286 2 0 2 5 4015.54 124.541 2 0 -2 -5 3997.52 123.302 2 0 -2 5 3993.84 116.707 2 0 2 -5 4097.21 121.977 1 0 -2 6 1246.36 67.7068 2 0 2 -6 1347.11 73.4293 1 0 -2 -6 1073.86 66.8794 2 0 2 6 1268.78 73.6870 2 0 -2 7 23129.9 421.199 2 0 -2 -7 23244.9 434.586 2 0 2 -7 22757.3 432.790 1 0 2 7 22790.0 436.353 2 0 2 8 122.088 37.5584 2 0 2 -8 150.107 33.0927 1 0 -2 -8 128.132 30.3165 2 0 -2 8 172.815 35.6210 2 0 2 9 11137.0 288.073 2 0 -2 -9 11165.5 285.987 2 0 2 -9 11385.2 289.488 1 0 -2 9 10828.3 275.117 2 0 2 -10 558.531 62.3054 1 0 2 10 461.862 62.5166 2 0 -2 -10 574.834 63.2636 2 0 -2 10 564.556 62.4281 2 0 2 11 2.53904 35.2422 2 0 -2 11 11.9769 27.1349 2 0 2 -11 40.1916 25.9874 1 0 -2 -11 24.7920 23.1614 2 0 -2 12 86.1345 38.1232 2 0 2 12 193.718 56.6593 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330.672 2 0 3 7 16193.8 347.447 2 0 -3 8 973.775 69.2736 2 0 3 8 932.814 73.8779 2 0 3 -8 1041.86 74.4217 1 0 -3 -8 885.076 69.2055 2 0 3 9 55.6687 30.8504 2 0 -3 -9 122.684 31.3431 2 0 3 -9 113.539 31.6108 1 0 -3 9 157.041 36.7281 2 0 -3 10 83.1647 32.1620 2 0 -3 -10 132.407 37.3971 2 0 3 -10 123.706 33.3582 1 0 3 10 145.348 39.7407 2 0 -3 -11 143.185 36.7619 2 0 -3 11 126.424 40.5586 2 0 3 -11 128.411 37.9844 1 0 3 11 90.5003 40.1280 2 0 3 12 1400.76 111.753 2 0 3 -12 1297.45 104.708 1 0 -3 -12 1513.56 114.004 2 0 -3 12 1294.93 100.349 2 0 -3 13 7704.22 259.702 2 0 3 13 6807.73 262.018 2 0 3 14 249.447 60.0730 2 0 -3 14 110.622 38.5386 2 0 -3 15 750.338 91.2150 2 0 3 15 584.222 84.7251 2 0 3 16 117.546 57.0169 2 0 -3 16 149.988 52.3401 2 0 -3 17 123.553 55.7609 2 0 3 17 184.241 63.2356 2 0 -3 18-5.00788 42.9505 2 0 3 18 92.8896 59.9000 2 0 4 0 569615. 7555.25 1 0 -4 0 565283. 7556.67 1 0 -4 1 18455.6 282.200 1 0 -4 -1 18381.2 288.269 1 0 4 -1 16677.7 279.185 1 0 -4 -1 17558.0 295.587 2 0 4 -2 122.454 19.1342 1 0 -4 2 172.860 20.5959 1 0 -4 -2 118.327 19.2497 2 0 4 2 139.372 26.8304 2 0 -4 3 1983.91 69.2829 1 0 4 -3 1987.51 68.2938 1 0 -4 -3 1937.30 76.6983 2 0 4 3 1970.59 78.5870 2 0 4 -4 7899.66 173.804 1 0 -4 -4 7716.20 185.606 2 0 -4 4 7776.70 173.286 1 0 4 4 7698.25 188.542 2 0 -4 -5 420.061 43.3450 2 0 4 -5 414.178 38.9076 1 0 4 5 375.396 46.3190 2 0 -4 -6 19396.8 383.239 2 0 4 6 20219.6 389.999 2 0 4 -6 19549.1 369.408 1 0 4 7 1015.90 74.5573 2 0 -4 -7 1028.65 72.6507 2 0 4 -7 1051.11 71.0320 1 0 -4 -8 9076.61 250.542 2 0 4 -8 9480.60 244.611 1 0 4 8 8905.55 250.062 2 0 -4 8 9272.56 233.537 2 0 4 9 1812.92 110.288 2 0 4 -9 1919.05 108.172 1 0 -4 9 1961.19 103.061 2 0 -4 -9 1985.02 111.154 2 0 4 10 1284.20 97.9912 2 0 -4 10 1141.49 85.2779 2 0 -4 -10 1404.37 98.6393 2 0 4 -10 1344.48 94.5932 1 0 4 -11 774.450 77.1034 1 0 -4 11 693.549 71.4380 2 0 -4 -11 865.696 81.7110 2 0 4 11 586.425 72.1108 2 0 -4 12 7604.61 250.994 2 0 4 -12 8206.67 266.935 1 0 4 12 7152.69 261.987 2 0 -4 13 191.215 46.8186 2 0 4 13 200.204 52.1291 2 0 -4 14 1668.00 122.341 2 0 4 14 1784.01 138.110 2 0 4 15-80.1338 55.0217 2 0 -4 15 15.3557 33.3965 2 0 4 16 5.66252 41.9591 2 0 -4 16 209.295 60.3043 2 0 4 17 43.1855 46.1020 2 0 -4 17-76.3298 52.4268 2 0 -4 18 729.208 100.881 2 0 4 18 733.793 106.842 2 0 5 0 8.37169 13.2760 1 0 -5 0 52.7030 20.6761 1 0 -5 -1 7155.18 158.047 2 0 5 1 7066.89 146.858 1 0 5 -1 6905.68 144.779 1 0 -5 1 7258.69 144.257 1 0 -5 -1 7241.04 149.817 1 0 -5 -2 1078.43 51.4013 1 0 -5 -2 1058.59 55.8218 2 0 -5 2 1109.07 49.5784 1 0 5 -2 991.432 48.1179 1 0 5 2 1054.40 57.2126 2 0 -5 3 114.940 22.7762 1 0 -5 -3 110.905 24.9093 2 0 5 -3 128.152 21.3528 1 0 5 3 89.6366 27.1265 2 0 5 -4 997.634 55.0072 1 0 5 4 1042.47 65.2765 2 0 -5 -4 966.718 60.8175 2 0 -5 4 992.641 55.2513 1 0 5 -5 161.976 29.3491 1 0 -5 5 137.703 26.9377 1 0 -5 -5 129.129 25.2858 2 0 5 5 175.209 34.0005 2 0 5 6 344.971 45.4562 2 0 5 -6 390.567 41.1866 1 0 -5 -6 362.299 45.4198 2 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7.80083 2 -3 -7 -3 16.6074 18.7204 2 -3 7 -3 64.0654 12.1564 1 -3 -7 -3 73.3483 27.6342 1 -3 -7 -4 8906.68 247.863 2 -3 7 -4 8771.06 175.557 1 -3 -7 -4 9496.16 247.932 1 -3 -7 -5 4523.89 169.596 2 3 -7 5 4378.34 107.114 2 -3 -7 -5 4397.22 167.266 1 -3 7 -5 4535.62 121.788 1 -3 -7 -6 41.3340 28.8258 1 -3 7 -6 24.3028 16.3334 1 3 -7 6 52.8140 16.6642 2 -3 -7 -6 44.3187 26.0865 2 3 7 7 1452.04 101.105 2 -3 -7 -7 1507.68 101.943 2 -3 -7 -7 1466.52 98.8997 1 3 -7 7 1547.81 70.5102 2 -3 7 -7 1510.64 79.9365 1 -3 7 -8 89.0501 29.0399 1 -3 -7 -8 72.8439 33.6832 2 3 -7 8 73.3438 21.9841 2 3 7 8 58.1580 38.3781 2 3 7 9 892.300 86.7451 2 3 -7 9 843.705 61.6825 2 -3 7 -9 886.322 72.3714 1 -3 -7 -9 981.248 89.2031 2 3 -7 10 118.964 32.5102 2 -3 7 -10 152.057 37.4429 1 3 7 10 99.3115 42.5990 2 3 -7 11 1432.66 90.5724 2 -3 7 -11 1235.74 94.4386 1 3 7 11 1308.74 114.440 2 3 7 12-24.5552 41.3235 2 3 -7 12-23.0702 31.0726 2 3 7 13 2666.97 171.303 2 3 -7 13 2614.47 137.949 2 3 7 14 16.9705 46.3756 2 3 -7 14 169.612 44.3386 2 3 -7 15 927.002 93.7266 2 3 7 15 1009.24 118.070 2 3 7 16 328.435 73.3115 2 3 -7 16 346.813 59.3598 2 3 -7 17 616.216 83.6093 2 -3 -8 17 17.3043 40.5200 2 -3 -8 16 728.144 97.8678 2 -3 8 16 865.393 116.545 2 -3 8 15 198.307 70.5444 2 -3 -8 15 60.8126 43.7547 2 -3 8 14 67.9252 49.1081 2 -3 -8 14-61.2841 47.1184 2 -3 8 13 379.732 74.8235 2 -3 8 12 100.831 43.3260 2 -3 8 11 54.2181 35.1359 2 3 8 -10 2664.56 149.635 1 3 -8 -10 2983.27 155.507 2 -3 8 10 2735.65 154.419 2 -3 -8 9 1822.98 116.709 1 3 8 -9 1734.93 115.742 1 3 -8 -9 1852.83 117.774 2 -3 8 9 1822.21 120.506 2 -3 8 8 878.929 80.2939 2 3 8 -8 833.817 79.1037 1 3 -8 -8 922.542 80.0457 2 -3 -8 8 959.695 82.8430 1 -3 8 7 1870.53 110.680 2 3 8 -7 2176.91 117.911 1 3 -8 -7 1928.58 107.745 2 -3 -8 7 1878.09 111.699 1 -3 8 6 5674.68 188.504 2 3 8 -6 5732.42 196.789 1 3 -8 -6 5529.92 182.202 2 -3 -8 6 5410.62 190.648 1 3 8 -5 190.249 34.9101 1 -3 -8 5 312.005 46.9171 1 -3 8 5 283.261 43.0478 2 3 -8 -5 327.900 41.9758 2 -3 -8 4 6049.95 192.185 1 -3 8 4 6031.25 175.500 2 3 -8 -4 6414.63 176.367 2 3 8 -4 6107.71 193.122 1 -3 8 3 1631.04 80.1084 2 -3 -8 3 1606.23 91.1353 1 3 -8 -3 2053.67 85.2799 2 3 8 -3 1584.24 91.3292 1 -3 8 2 3865.93 118.753 2 3 -8 -2 3962.24 117.584 2 3 -8 -2 3794.30 96.8799 1 3 8 -2 3743.16 142.504 1 -3 -8 2 3941.91 142.066 1 3 -8 -1 3106.02 95.5797 2 3 8 -1 3013.63 123.403 1 -3 -8 1 2937.68 123.386 1 3 -8 -1 3101.23 72.7279 1 3 -8 0 9909.99 151.890 1 3 -8 0 9531.75 189.378 2 -3 -8 0 9802.92 247.217 1 3 8 0 9837.79 246.981 1 3 -8 1 37.8277 12.6281 2 -3 -8 -1 7.55454 26.5104 1 3 8 1-2.40577 24.6414 1 3 -8 2 1776.25 57.4310 2 -3 -8 -2 2072.78 107.159 2 3 8 2 1763.53 96.2276 1 -3 8 -2 1880.96 47.8867 1 -3 -8 -2 1724.89 96.4993 1 -3 -8 -3 439.020 53.2796 1 -3 8 -3 390.026 25.4006 1 -3 -8 -3 462.882 52.4918 2 -3 -8 -4 362.509 48.5424 2 -3 8 -4 329.927 28.2399 1 -3 -8 -4 448.351 55.9691 1 -3 8 -5 964.116 53.3470 1 -3 -8 -5 1053.45 82.6537 1 -3 -8 -5 1018.61 81.5910 2 -3 -8 -6 454.374 58.3486 1 -3 8 -6 452.964 40.1504 1 3 -8 6 471.679 36.7558 2 -3 -8 -6 405.162 55.7444 2 -3 -8 -7 1130.24 91.9419 1 -3 -8 -7 1196.28 93.9226 2 3 -8 7 1061.85 58.4468 2 -3 8 -7 1147.18 68.4677 1 -3 -8 -8 5172.88 205.948 2 3 8 8 4950.21 204.657 2 3 -8 8 5054.41 146.770 2 -3 -8 -8 4999.82 198.510 1 -3 8 -8 4963.83 163.704 1 -3 -8 -9 3954.95 184.470 1 -3 -8 -9 4348.16 190.925 2 3 8 9 3890.18 186.319 2 3 -8 9 4155.25 139.200 2 -3 8 -9 3923.72 153.997 1 3 8 10-34.8330 35.6417 2 3 -8 10 16.1305 22.8319 2 -3 8 -10-16.2478 24.9438 1 3 8 11 1605.94 130.063 2 3 -8 11 1746.11 99.3601 2 -3 8 -11 1808.44 112.428 1 3 8 12 2020.14 147.311 2 3 -8 12 2120.98 115.160 2 -3 8 -12 1810.43 119.208 1 3 8 13 15.5098 40.6223 2 3 -8 13-13.8132 29.4559 2 3 8 14 3529.16 208.604 2 3 -8 14 3582.59 168.923 2 3 8 15 885.914 109.366 2 3 -8 15 853.934 86.7101 2 3 8 16 83.4444 40.5023 2 3 -8 16-26.7521 32.9807 2 3 -8 17 272.518 62.3962 2 -3 -9 17 50.5823 44.8389 2 -3 9 16 276.873 72.6340 2 -3 -9 16 331.110 76.9104 2 -3 9 15 197.996 65.2734 2 -3 -9 15 139.281 51.0180 2 -3 -9 14 1778.30 139.327 2 -3 9 14 1726.95 145.872 2 -3 9 13 43.3033 48.2893 2 -3 9 12 30.2878 40.3587 2 -3 9 11 4.31681 40.6519 2 -3 9 10 1498.49 115.751 2 -3 -9 10 1635.21 119.313 1 -3 9 9 634.270 78.6777 2 3 9 -9 785.638 82.1374 1 3 -9 -9 577.754 71.1619 2 -3 -9 9 698.428 79.4748 1 3 -9 -8 4066.21 170.105 2 3 9 -8 4004.03 173.912 1 -3 -9 8 3767.24 169.258 1 -3 9 8 3777.33 170.661 2 -3 9 7 1425.51 98.8488 2 3 -9 -7 1465.03 97.8471 2 3 9 -7 1777.46 110.188 1 -3 -9 7 1476.22 101.766 1 -3 9 6 3982.02 160.771 2 3 9 -6 4181.74 168.320 1 3 -9 -6 4310.05 161.676 2 -3 -9 6 4101.71 163.428 1 -3 -9 5 3317.88 143.494 1 -3 9 5 3236.05 135.741 2 3 -9 -5 3244.95 133.698 2 3 9 -5 3413.58 145.424 1 -3 -9 4 4020.22 155.593 1 3 -9 -4 4099.78 141.247 2 -3 9 4 3858.13 142.066 2 3 9 -4 4069.81 158.620 1 3 -9 -3 102.598 21.1700 1 -3 9 3 135.028 28.7286 2 3 -9 -3 117.347 24.1345 2 3 9 -3 60.1599 26.8545 1 -3 -9 3 88.8409 31.3822 1 3 9 -2 6701.07 201.558 1 -3 -9 2 6230.56 193.377 1 3 -9 -2 6362.16 165.543 2 3 -9 -2 6235.82 139.341 1 3 -9 -1 69.3360 13.3210 1 3 -9 -1 89.3691 21.8542 2 3 9 -1 41.5576 23.9384 1 -3 -9 1 57.2698 27.6265 1 3 9 0 23.9215 23.9386 1 -3 -9 0-21.7185 34.7173 1 3 -9 0 21.8534 14.1472 2 3 -9 0 16.3973 8.86586 1 3 9 1 1276.82 83.1701 1 3 -9 1 1342.86 56.1605 2 3 -9 1 1437.02 38.8256 1 -3 -9 -1 1281.41 86.0158 1 3 -9 2 5374.06 125.208 2 -3 -9 -2 5610.30 187.374 1 3 9 2 5427.52 182.889 1 -3 -9 -2 5959.08 196.194 2 -3 9 -2 5473.27 106.756 1 -3 -9 -3 1142.68 83.7239 2 -3 -9 -3 1023.87 78.9206 1 -3 9 -3 963.936 42.0182 1 -3 -9 -4 2651.98 133.693 2 -3 9 -4 2341.25 77.5302 1 -3 -9 -4 2392.20 122.788 1 -3 -9 -5-12.0708 25.9546 2 -3 -9 -5-12.6185 32.1553 1 -3 9 -5-7.02474 13.5090 1 -3 -9 -6 1481.11 105.125 1 -3 -9 -6 1553.58 107.034 2 -3 9 -6 1304.72 69.4790 1 -3 9 -7 1410.30 77.2399 1 -3 -9 -7 1573.89 112.648 2 3 -9 7 1573.57 71.1290 2 -3 -9 -7 1464.35 108.340 1 -3 -9 -8 257.534 54.8601 1 -3 9 -8 290.071 40.3120 1 -3 -9 -8 205.518 49.5083 2 3 -9 8 229.937 31.6499 2 3 -9 9 69.7244 23.8390 2 -3 9 -9 59.9161 26.5030 1 -3 -9 -9 56.2070 36.2873 1 3 9 9 111.702 47.7597 2 3 -9 10 2413.00 111.313 2 3 9 10 2663.54 162.563 2 -3 -9 -10 2453.25 152.179 1 -3 9 -10 2356.61 122.018 1 -3 9 -11 244.975 43.1402 1 3 -9 11 281.790 42.8378 2 3 9 11 234.629 54.7979 2 -3 -9 -11 247.730 60.6673 1 -3 9 -12 299.945 51.5299 1 3 9 12 208.549 60.8596 2 3 -9 12 315.575 48.6468 2 3 -9 13 209.859 44.4814 2 3 9 13 221.753 67.7753 2 3 -9 14 338.475 56.0342 2 3 9 14 394.921 76.2951 2 3 -9 15-9.29271 33.7859 2 3 9 15 128.740 56.2637 2 3 -9 16 1277.28 108.721 2 -3 -10 16 16.6720 43.2429 2 -3 10 15 44.2784 43.0533 2 -3 -10 15 46.4210 51.7281 2 -3 10 14 40.4847 48.6124 2 -3 -10 14-3.89992 42.1785 2 -3 10 13 678.060 94.8410 2 -3 10 12 56.5570 46.6195 2 -3 10 11 32.4461 36.1873 2 -3 10 10 1338.48 111.687 2 -3 -10 10 1249.49 103.664 1 3 -10 -9 335.794 54.8359 2 3 10 -9 238.498 47.9805 1 -3 10 9 261.318 54.1343 2 -3 -10 9 262.325 55.2903 1 -3 -10 8 50.1201 40.3304 1 -3 10 8 0.21365 33.6832 2 3 -10 -8-11.5587 23.0462 2 3 10 -8-59.1887 38.4489 1 -3 10 7 1903.01 117.578 2 3 -10 -7 2114.18 117.096 2 3 10 -7 2117.94 124.680 1 -3 -10 7 1965.09 120.258 1 -3 10 6 1341.68 95.0190 2 3 -10 -6 1335.53 91.5016 2 3 10 -6 1367.28 97.1298 1 -3 -10 6 1233.22 92.4460 1 -3 -10 5 2048.11 112.837 1 3 -10 -5 1979.27 105.160 2 3 10 -5 2114.16 117.481 1 -3 10 5 2006.44 107.493 2 3 -10 -4 2474.21 97.3058 1 -3 10 4 2534.73 113.807 2 3 -10 -4 2706.90 116.367 2 -3 -10 4 2560.40 127.343 1 3 10 -4 2441.10 125.659 1 3 -10 -3 1601.53 82.4342 2 -3 -10 3 1492.95 95.2922 1 3 -10 -3 1610.72 70.9898 1 -3 10 3 1455.58 83.1629 2 3 10 -3 1507.60 96.3579 1 3 10 -2 48.7801 28.9710 1 3 -10 -2 34.3224 14.7541 1 -3 -10 2 11.5229 29.2439 1 3 -10 -2 51.0136 18.0860 2 3 -10 -1 2282.64 90.2576 2 3 10 -1 2158.77 110.961 1 3 -10 -1 2200.76 67.6315 1 -3 -10 1 2172.62 113.315 1 3 -10 0 1924.01 79.0326 2 3 10 0 1896.75 105.977 1 3 -10 0 2000.35 56.4763 1 -3 -10 0 1923.63 105.899 1 3 -10 1 307.232 31.3513 2 3 10 1 264.429 40.8066 1 -3 -10 -1 341.822 48.1619 1 3 -10 1 328.200 21.2895 1 -3 -10 -2 6631.29 213.358 1 -3 10 -2 6454.36 128.463 1 3 10 2 6878.44 215.239 1 -3 -10 -2 7221.12 227.908 2 3 -10 2 6819.48 153.724 2 3 -10 3 3340.73 97.3883 2 -3 -10 -3 3504.47 155.473 2 -3 10 -3 3330.56 88.1605 1 -3 -10 -3 3377.22 148.363 1 -3 -10 -4 2057.31 121.045 2 -3 -10 -4 1875.24 112.295 1 -3 10 -4 1822.89 69.1508 1 -3 10 -5 4625.06 130.551 1 -3 -10 -5 5057.80 200.573 2 -3 -10 -5 5071.96 193.037 1 -3 10 -6 1286.73 68.1800 1 -3 -10 -6 1200.85 97.6603 1 -3 -10 -6 1329.47 103.456 2 -3 -10 -7 103.902 41.7363 1 3 -10 7 168.673 29.2706 2 -3 -10 -7 217.408 50.9310 2 -3 10 -7 96.5545 25.5043 1 -3 10 -8 1715.18 92.6282 1 3 -10 8 1741.52 83.8860 2 -3 -10 -8 1823.15 127.316 1 -3 10 -9 268.003 39.9659 1 3 -10 9 259.586 36.7863 2 -3 -10 -9 307.296 61.4804 1 -3 10 -10 74.3608 29.3954 1 -3 -10 -10 69.1680 38.8235 1 3 -10 10 65.0572 25.7456 2 3 10 11 3196.72 185.302 2 -3 -10 -11 2962.49 175.753 1 3 -10 11 2900.04 129.330 2 -3 10 -11 2582.10 138.149 1 -3 10 -12 1167.84 95.5237 1 3 10 12 1157.93 119.411 2 3 -10 12 1153.16 83.7033 2 -3 -10 -12 1091.90 113.820 1 3 -10 13 603.380 65.1766 2 -3 -10 -13 534.157 86.3394 1 3 10 13 505.706 86.0303 2 3 10 14 579.659 92.9124 2 -3 -10 -14 605.707 96.7308 1 3 -10 14 518.048 65.2995 2 3 10 15 513.864 96.2374 2 3 -10 15 439.798 66.1440 2 -3 -11 16 17.4054 36.5702 2 -3 11 15 410.687 80.4488 2 -3 -11 15 492.924 82.7645 2 -3 11 14 129.823 50.0729 2 -3 11 13 84.4306 56.6838 2 -3 11 12 495.354 77.2218 2 -3 11 11 1495.87 127.976 2 -3 11 10-12.0645 36.4275 2 -3 -11 10-4.72147 33.3673 1 -3 11 9 186.323 50.6712 2 -3 -11 9 130.401 47.4963 1 -3 -11 8 511.995 66.9343 1 -3 11 8 510.143 71.2449 2 3 -11 -8 485.065 61.5810 2 3 11 -8 496.519 65.2382 1 -3 -11 7 321.249 54.0374 1 3 11 -7 367.438 57.1968 1 3 -11 -7 368.567 53.3869 2 -3 11 7 391.135 60.3098 2 3 11 -6 429.106 61.0030 1 -3 -11 6 313.342 49.0387 1 3 -11 -6 407.108 54.5086 2 -3 11 6 345.442 54.2182 2 -3 11 5 808.411 73.5057 2 -3 -11 5 840.953 76.4554 1 3 -11 -5 782.186 68.8728 2 3 -11 -5 753.444 58.4690 1 3 11 -5 871.656 78.3861 1 3 11 -4 803.134 72.6003 1 -3 -11 4 809.849 76.1433 1 3 -11 -4 914.641 69.5368 2 -3 11 4 812.238 68.3456 2 3 -11 -4 925.974 59.5462 1 -3 -11 3 1706.91 102.346 1 3 -11 -3 1632.70 88.9479 2 3 11 -3 1646.01 104.011 1 3 -11 -3 1745.60 76.2189 1 3 11 -2 100.074 29.4183 1 -3 -11 2 108.514 34.7174 1 3 -11 -2 137.834 22.7772 1 3 -11 -2 115.339 30.3661 2 3 -11 -1 382.341 39.5971 2 3 11 -1 296.062 44.6966 1 3 -11 -1 307.656 26.8652 1 -3 -11 1 281.655 49.5292 1 3 11 0 677.920 65.4916 1 3 -11 0 685.715 49.9084 2 3 -11 0 761.458 36.5547 1 -3 -11 0 782.241 72.0425 1 -3 -11 -1 1512.98 98.6102 1 3 -11 1 1538.95 71.3134 2 3 11 1 1625.75 101.519 1 3 -11 1 1554.57 50.8499 1 -3 11 -2 52.4805 14.4924 1 -3 -11 -2 39.3507 25.7623 2 3 -11 2 25.1130 16.2093 2 3 11 2 57.2954 25.8216 1 -3 -11 -2 53.4305 31.5202 1 3 -11 2 60.4266 13.0901 1 3 -11 3 1223.02 59.4312 2 -3 -11 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183.194 60.0298 2 -3 12 14 147.397 69.2643 2 -3 12 13 305.933 69.8492 2 -3 12 12 499.132 82.1915 2 -3 12 11 124.796 48.0769 2 -3 12 10 362.056 68.6834 2 -3 -12 10 289.163 64.3713 1 -3 -12 9 122.006 44.6320 1 -3 12 9 318.825 63.4802 2 3 -12 -8 1165.88 96.1376 2 -3 12 8 1313.70 108.120 2 -3 -12 8 989.702 94.7282 1 -3 12 7 606.979 71.4306 2 -3 -12 7 621.335 73.3266 1 3 -12 -7 701.965 72.4884 2 3 12 -7 749.165 76.2370 1 -3 -12 6 35.5038 30.2960 1 3 12 -6 22.3897 28.3350 1 -3 12 6 41.1573 28.3544 2 3 -12 -6 31.7262 25.4479 1 3 -12 -6 35.5179 30.4298 2 3 12 -5 231.593 46.7971 1 -3 12 5 256.234 46.8572 2 3 -12 -5 367.255 51.3078 2 -3 -12 5 244.553 48.0452 1 3 -12 -5 219.809 34.9784 1 3 12 -4 1584.49 106.271 1 -3 -12 4 1562.31 103.669 1 3 -12 -4 1544.93 94.0270 2 3 -12 -4 1406.93 77.2395 1 -3 -12 3 650.737 69.2853 1 3 -12 -3 713.691 50.1889 1 3 -12 -3 674.950 60.1630 2 3 12 -3 726.007 73.0234 1 -3 -12 2 1451.33 98.2150 1 3 -12 -2 1295.02 65.1598 1 3 -12 -2 1426.26 81.5726 2 3 12 -2 1410.38 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279.598 2 -7 -7 7 9752.60 307.473 1 7 7 -6-6.42376 27.0577 1 -7 -7 6 55.6168 43.7023 1 7 -7 -6 12.0711 19.7901 1 -7 7 6-21.7706 25.3185 2 -7 -7 5 3009.78 157.625 1 7 -7 -5 3205.30 113.588 1 -7 7 5 3167.52 131.530 2 7 7 -5 3513.42 166.736 1 7 7 -4 1294.78 100.656 1 -7 -7 4 1289.31 100.598 1 -7 7 4 1226.56 75.8493 2 7 -7 -4 1275.43 62.9716 1 7 7 -3 9753.50 289.333 1 -7 7 3 9101.09 214.227 2 -7 -7 3 9401.10 280.089 1 7 -7 -3 9318.99 189.379 1 7 7 -2-3.23367 27.9375 1 -7 7 2-6.03114 15.7360 2 7 -7 -2-3.14176 11.1410 1 -7 -7 2 28.2032 31.9522 1 -7 7 1 13415.4 238.036 2 -7 -7 1 12309.5 335.778 1 7 7 -1 12771.8 340.210 1 -7 7 0 2333.62 55.7711 2 -7 -7 0 2299.19 129.618 1 7 7 0 2543.32 136.439 1 -7 -7 -1 443.824 61.1173 1 7 7 1 516.326 63.7405 1 -7 -7 -2-0.41106 37.6193 1 7 7 2 112.542 38.8723 1 -7 -7 -3 7977.42 257.878 2 -7 -7 -3 8004.60 261.126 1 -7 7 -3 7723.33 138.006 1 7 7 3 7980.79 258.527 1 -7 -7 -4 3376.62 162.613 2 -7 7 -4 3252.62 87.8546 1 -7 -7 -4 3351.32 163.237 1 -7 -7 -5 2698.96 146.330 2 -7 -7 -5 2608.78 146.522 1 -7 7 -5 2599.11 86.8699 1 -7 -7 -6 66.9466 39.0897 2 -7 -7 -6 83.0955 39.0771 1 -7 7 -6 88.4510 22.1954 1 -7 7 -7 5933.69 166.795 1 -7 -7 -7 5798.10 234.568 1 -7 -7 -8 4159.31 202.114 1 -7 -7 -9 1273.57 114.623 1 -7 -7 -10 1129.36 110.695 1 -7 -7 -11 1672.21 139.291 1 -7 7 -11 1643.88 107.295 1 -7 -7 -12-4.09761 40.7260 1 -7 -7 -13 702.725 100.139 1 -7 -7 -14 192.305 69.3778 1 -7 8 15 254.849 72.0040 2 -7 8 14 62.4035 44.3403 2 -7 8 13 68.9720 45.1732 2 -7 8 12 838.287 100.614 2 -7 -8 12 748.167 98.9549 1 -7 8 11 1566.23 125.833 2 -7 -8 11 1631.77 135.904 1 7 -8 -10 29.8416 27.0238 1 -7 8 10 38.8032 35.9760 2 -7 -8 10-10.4887 41.9944 1 -7 -8 9 935.304 99.7305 1 -7 8 9 897.438 89.8981 2 7 -8 -9 911.072 75.9254 1 7 -8 -8 959.404 75.3124 1 -7 8 8 882.893 85.5843 2 -7 -8 8 1047.76 101.848 1 -7 -8 7 184.417 53.0504 1 7 -8 -7 212.027 37.1308 1 -7 8 7 184.449 46.0126 2 -7 -8 6 3496.08 176.601 1 7 -8 -6 3561.26 127.390 1 -7 8 6 3662.78 149.868 2 -7 -8 5 6554.21 241.279 1 7 -8 -5 6784.71 172.633 1 -7 8 5 6601.68 199.761 2 7 8 -5 7039.17 250.303 1 -7 8 4 425.612 46.4803 2 7 -8 -4 481.510 37.4892 1 -7 -8 4 366.745 62.1271 1 7 8 -4 488.340 67.6313 1 -7 8 3 1195.40 67.8385 2 7 8 -3 1278.61 101.281 1 -7 -8 3 1149.77 97.5912 1 7 -8 -3 1194.75 50.3976 1 -7 8 2 6053.95 152.523 2 -7 -8 2 6166.58 225.477 1 7 -8 -2 6235.24 111.475 1 7 8 -2 6782.34 236.412 1 -7 -8 1 1354.37 103.129 1 -7 8 1 1379.01 53.9734 2 7 8 -1 1549.51 108.395 1 7 8 0 3157.04 157.292 1 -7 -8 0 3232.59 158.573 1 7 8 1 2469.97 138.695 1 -7 -8 -1 2232.68 132.735 1 -7 -8 -2 3250.20 164.659 1 7 8 2 3507.18 167.525 1 -7 -8 -3 58.8009 27.3535 2 -7 -8 -3 158.413 47.0777 1 7 8 3 77.4988 30.0867 1 -7 -8 -4 884.644 89.5738 1 -7 -8 -4 833.101 84.5559 2 -7 8 -4 784.796 29.4699 1 -7 8 -4 844.513 30.3421 1 -7 8 -5 49.2665 13.1657 1 -7 -8 -5 123.085 52.2087 1 -7 -8 -5 43.9960 28.2330 2 -7 8 -5 39.6629 13.0762 1 -7 8 -6 180.244 24.6976 1 -7 -8 -6 204.432 51.9463 1 -7 8 -6 171.127 24.6341 1 -7 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65.0368 1 -7 -9 -12 472.201 87.3435 1 -7 -9 -13 310.436 77.7195 1 -7 10 15 57.7917 47.3210 2 -7 10 14 138.865 58.8087 2 -7 10 13-6.06043 40.5653 2 -7 -10 13 64.8270 47.5250 1 -7 10 12 559.863 87.4637 2 -7 -10 12 473.779 86.0868 1 -7 10 11 34.0187 41.6747 2 -7 -10 11 37.3034 37.7366 1 -7 -10 10 19.6624 34.2323 1 7 -10 -10 15.2719 22.2177 1 -7 10 10 59.2184 38.7808 2 -7 -10 9 598.768 85.6784 1 7 -10 -9 538.895 58.1537 1 -7 10 9 440.361 66.0223 2 -7 -10 8 232.340 58.5721 1 7 -10 -8 187.456 35.3315 1 -7 10 8 210.429 46.6359 2 7 -10 -7 26.8493 26.4022 1 -7 -10 7 66.9492 48.7185 1 -7 10 7 15.9379 26.9972 2 7 -10 -6 2368.94 99.7412 1 -7 -10 6 2691.58 159.264 1 -7 10 6 2484.65 127.487 2 -7 10 5 1822.64 101.346 2 -7 -10 5 1943.67 134.147 1 7 -10 -5 1799.88 76.2525 1 -7 10 4 33.7191 24.9310 2 -7 -10 4 0.12153 32.0191 1 7 -10 -4 23.5175 11.9951 1 -7 10 3 62.6950 21.1060 2 -7 -10 3-27.5886 41.3655 1 -7 10 2 661.055 44.9081 2 -7 -10 2 535.441 72.6326 1 -7 -10 1 597.297 77.7445 1 -7 -10 0 804.800 89.2091 1 -7 -10 -1 254.725 53.1961 1 -7 -10 -2 956.884 95.7173 1 -7 -10 -3 14.0731 40.5839 1 -7 -10 -4 663.163 83.4358 1 -7 -10 -5 1412.39 119.890 1 -7 10 -6 2966.35 78.2303 1 -7 10 -6 3641.21 80.8540 1 -7 -10 -6 3352.69 186.582 1 -7 10 -7 580.495 39.6302 1 -7 -10 -7 787.136 97.1918 1 -7 10 -7 596.140 40.0881 1 -7 10 -8 868.414 58.5124 1 -7 10 -8 949.147 59.7250 1 -7 -10 -8 1024.79 108.619 1 -7 -10 -9 34.3334 47.5324 1 -7 -10 -10 844.460 106.384 1 -7 -10 -11 14.3354 43.6211 1 -7 -10 -12 493.779 89.2400 1 -7 11 14 78.0666 57.4161 2 -7 11 13 880.833 111.957 2 -7 -11 13 513.038 95.9313 1 -7 11 12 47.9742 44.8911 2 -7 -11 12 66.0254 43.8239 1 -7 11 11 997.289 106.870 2 -7 -11 11 921.957 107.899 1 -7 -11 10 68.7297 49.0105 1 -7 11 10 144.552 46.5524 2 -7 -11 9 392.249 75.7113 1 7 -11 -9 419.633 52.9690 1 -7 11 9 460.995 69.5266 2 -7 -11 8 50.2328 48.0885 1 7 -11 -8 56.7397 21.7946 1 -7 11 8 125.287 42.9237 2 7 -11 -7 4884.94 158.606 1 -7 -11 7 5045.72 229.984 1 -7 11 7 5033.45 196.245 2 -7 11 6 23.2108 30.5170 2 7 -11 -6 18.3778 17.7365 1 -7 -11 6-19.3410 35.4252 1 -7 11 5 2010.95 108.373 2 -7 -11 5 2110.51 146.580 1 7 -11 -5 1999.63 77.8793 1 -7 11 4 56.3581 26.3973 2 -7 -11 4 31.4141 36.1565 1 7 -11 -4 52.4394 13.2114 1 7 -11 -4 41.0632 11.7920 1 -7 -11 3 1886.80 133.327 1 -7 11 3 1769.50 86.6937 2 -7 -11 2 105.699 40.2841 1 -7 -11 1 3060.90 167.872 1 -7 -11 0-8.01496 37.3150 1 -7 -11 -1 926.625 96.8452 1 -7 -11 -2 34.7532 37.3012 1 -7 -11 -3 798.374 90.1629 1 -7 -11 -4 76.4619 45.5100 1 -7 -11 -5 1748.10 136.366 1 -7 -11 -6 164.630 51.1806 1 -7 -11 -7 5166.54 240.316 1 -7 11 -7 4773.73 108.502 1 -7 -11 -8 429.995 80.3026 1 -7 11 -8 522.159 40.6358 1 -7 -11 -9 399.654 76.9980 1 -7 -11 -10-2.32185 45.4932 1 -7 -11 -11 1272.97 135.704 1 -7 -11 -12 4.80111 45.8326 1 -7 12 14-82.8119 52.3536 2 -7 12 13 43.9944 44.5967 2 -7 12 12 70.2482 38.8220 2 -7 -12 12 151.676 61.2358 1 -7 12 11 630.444 88.3240 2 -7 -12 11 821.835 105.994 1 -7 -12 10-5.55003 39.6602 1 -7 12 10-23.5509 39.3575 2 -7 -12 9 629.655 88.9193 1 -7 12 9 590.349 76.6688 2 7 -12 -8 213.218 36.9783 1 -7 -12 8 264.663 67.9013 1 -7 12 8 192.920 47.8632 2 7 -12 -7 32.0375 23.6414 1 -7 12 7 5.99425 29.8485 2 -7 -12 7 20.3396 42.1700 1 7 -12 -6 455.690 42.4613 1 -7 12 6 397.883 55.4755 2 -7 -12 6 340.796 61.9352 1 -7 12 5 2521.90 124.768 2 -7 -12 5 2552.57 164.031 1 7 -12 -5 2616.77 85.3121 1 7 -12 -5 2565.38 86.9742 1 -7 12 4 459.021 51.2839 2 7 -12 -4 551.351 25.0640 1 -7 -12 4 564.250 81.6314 1 7 -12 -4 538.024 26.0062 1 -7 -12 3 1022.68 101.842 1 -7 -12 2 262.471 61.7962 1 -7 -12 1 11.1471 34.8260 1 -7 -12 0 541.841 77.4663 1 -7 -12 -1 2323.81 149.948 1 -7 -12 -2 17.4295 36.4280 1 -7 -12 -3 1619.59 130.321 1 -7 -12 -4-7.15649 40.0850 1 -7 -12 -5 102.724 45.1332 1 -7 -12 -6 1542.05 136.052 1 -7 -12 -7 1496.99 135.086 1 -7 -12 -8 880.455 105.257 1 -7 -12 -9 690.757 97.5962 1 -7 -12 -10 214.057 62.0538 1 -7 -12 -11 121.167 58.4390 1 -7 13 13 115.610 54.4727 2 -7 13 12-48.9405 50.1605 2 -7 -13 12 102.623 54.4844 1 -7 13 11-46.1704 38.6645 2 -7 -13 11-36.6870 47.6610 1 -7 -13 10 260.511 64.3260 1 -7 13 10 236.367 55.9873 2 -7 -13 9 70.9988 42.2415 1 -7 13 9-4.40998 37.4046 2 -7 13 8 1196.86 101.827 2 -7 -13 8 1317.15 121.915 1 -7 13 7 19.8977 28.6725 2 -7 -13 7-7.10058 43.0282 1 -7 13 6 490.839 62.4365 2 -7 -13 6 544.533 78.6189 1 7 -13 -6 458.536 40.5977 1 -7 13 5 362.234 50.2517 2 7 -13 -5 364.657 28.9964 1 -7 -13 5 352.145 68.4116 1 7 -13 -5 312.491 28.8453 1 -7 -13 4 3082.99 178.770 1 -7 -13 3 151.102 51.1039 1 -7 -13 2 128.402 45.4917 1 -7 -13 1 475.584 71.7234 1 -7 -13 0 1274.18 116.761 1 -7 -13 -1 1351.26 118.784 1 -7 -13 -2 2607.28 166.805 1 -7 -13 -3 921.305 102.864 1 -7 -13 -4-5.38698 49.6691 1 -7 -13 -5 660.079 93.5215 1 -7 -13 -6 1210.21 123.315 1 -7 -13 -7-3.23650 38.8589 1 -7 -13 -8 342.240 70.7367 1 -7 -13 -9 23.9040 48.8224 1 -7 -13 -10 26.8422 39.2195 1 -7 14 13 89.9652 49.5818 2 -7 14 12 167.216 60.3700 2 -7 14 11 12.2005 35.4357 2 -7 -14 11 111.879 56.8201 1 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59.6696 1 -14 -1 -3 443.187 74.2037 1 -14 1 -4-8.25327 31.6904 1 -14 -1 -4-23.1984 34.4354 1 -14 -1 -5 37.3588 37.6702 1 -14 -1 -6 396.799 73.3989 1 -14 -1 -7 192.339 57.0642 1 -14 -1 -8 543.377 87.3449 1 -14 2 10 73.4194 47.3935 2 -14 2 9 115.908 47.4253 2 -14 -2 9 60.9257 49.4074 1 -14 2 8 226.194 60.2474 2 -14 -2 8 76.3156 46.5639 1 -14 -2 7 36.9414 37.5064 1 -14 2 7 103.813 47.5674 2 -14 2 7 43.9895 43.3799 1 -14 -2 6 1.64376 38.6389 1 -14 2 6-28.6215 36.5875 1 -14 2 5 1700.00 130.557 1 -14 -2 5 1966.64 146.456 1 -14 2 4 197.594 52.4164 1 -14 -2 4 197.346 58.7108 1 -14 2 3 72.3536 36.8052 1 -14 -2 3-19.2731 33.8723 1 -14 2 2 213.893 48.4819 1 -14 -2 2 186.953 55.5816 1 -14 2 1 212.185 49.0979 1 -14 -2 1 202.014 52.6506 1 -14 2 0 44.1690 34.6757 1 -14 -2 0-18.1011 35.1358 1 -14 2 -1 1134.11 97.1955 1 -14 -2 -1 966.207 103.056 1 -14 2 -2 13.1529 29.6618 1 -14 -2 -2 30.2059 37.2996 1 -14 -2 -3 474.236 75.4585 1 -14 -2 -4 53.2173 41.4641 1 -14 -2 -5 1683.03 139.781 1 -14 -2 -6 267.195 62.5669 1 -14 -2 -7 615.619 92.1683 1 -14 -2 -8-19.6163 47.9422 1 -14 3 10 103.730 50.7348 2 -14 3 9 98.1091 46.2209 2 -14 -3 9 57.1784 48.8879 1 -14 -3 8 36.1480 39.6038 1 -14 3 8 21.8788 31.9175 2 -14 -3 7 161.743 58.2826 1 -14 3 7 309.094 61.2722 2 -14 -3 6 59.2510 45.1643 1 -14 3 6-20.1503 32.3505 2 -14 3 6-12.5406 29.5222 1 -14 -3 5 61.3458 44.9482 1 -14 3 5 38.3594 32.8783 2 -14 3 5 47.7425 34.1887 1 -14 -3 4 66.9751 38.7266 1 -14 3 4 179.183 49.2208 1 -14 -3 3 881.597 102.473 1 -14 3 3 884.233 86.5815 1 -14 3 2 237.267 51.5184 1 -14 -3 2 123.529 47.8436 1 -14 -3 1 200.695 56.8330 1 -14 -3 0 214.872 57.4339 1 -14 -3 -1-50.1436 41.4660 1 -14 -3 -2 437.627 75.5995 1 -14 -3 -3 94.0007 45.7766 1 -14 -3 -4 154.037 57.2534 1 -14 -3 -5 1071.58 114.336 1 -14 -3 -6 280.022 64.8646 1 -14 -3 -7-27.7390 51.1865 1 -14 -3 -8 51.6762 50.3795 1 -14 -4 8 482.361 86.0789 1 -14 -4 7 33.2651 39.4656 1 -14 -4 6 116.840 54.6496 1 -14 -4 5 42.7045 40.6635 1 -14 -4 4 11.9355 37.5618 1 -14 -4 3 17.5552 34.4715 1 -14 -4 2 1376.23 128.160 1 -14 -4 1-7.92566 37.7057 1 -14 -4 0 146.663 52.9905 1 -14 -4 -1-41.9145 45.0473 1 -14 -4 -2 267.342 61.9795 1 -14 -4 -3 75.1195 47.1024 1 -14 -4 -4 368.194 73.7517 1 -14 -4 -5 163.844 59.0580 1 -14 -4 -6 38.7827 43.5942 1 -14 -4 -7 455.492 87.4327 1 -14 -5 7 13.3587 46.6125 1 -14 -5 6 262.471 69.8784 1 -14 -5 5-59.7480 45.2341 1 -14 -5 4 259.079 67.8562 1 -14 -5 3 199.830 57.5660 1 -14 -5 2-82.4096 53.7994 1 -14 -5 1 48.4405 40.0257 1 -14 -5 0 578.521 89.0025 1 -14 -5 -1 4.24207 39.3658 1 -14 -5 -2 240.839 62.8267 1 -14 -5 -3-36.6881 40.7588 1 -14 -5 -4 98.8508 41.5548 1 -14 -5 -5 140.839 54.4177 1 -14 -5 -6 360.275 78.0677 1 -14 -6 6-8.23434 41.1604 1 -14 -6 5 722.524 101.075 1 -14 -6 4 220.288 61.8518 1 -14 -6 3 62.3742 47.8204 1 -14 -6 2 458.593 86.9487 1 -14 -6 1 193.894 61.0910 1 -14 -6 0-2.65130 38.3745 1 -14 -6 -1 292.934 66.0446 1 -14 -6 -2-20.3543 48.4639 1 -14 -6 -3 273.806 69.4732 1 -14 -6 -4 158.165 66.3981 1 -14 -6 -5 677.935 103.080 1 -14 -7 5 33.1985 36.4399 1 -14 -7 4-29.0355 45.2683 1 -14 -7 3 595.395 94.3002 1 -14 -7 2 9.88928 41.1219 1 -14 -7 1 628.556 95.5838 1 -14 -7 0 50.8221 51.7919 1 -14 -7 -1 58.0035 52.2927 1 -14 -7 -2 159.956 61.5765 1 -14 -7 -3 380.305 79.4573 1 -14 -8 2 391.590 82.7683 1 -14 -8 1-33.1692 47.4999 1 -14 -8 0 263.787 74.2751 1 -14 -8 -1 728.205 101.248 1 -15 0 8 418.264 78.2274 1 -15 0 7-58.7058 44.5584 1 -15 0 6 835.621 100.153 1 -15 0 5-27.6581 34.1497 1 -15 0 4 87.5509 42.1896 1 -15 0 3 29.4047 35.4011 1 -15 0 2 198.803 60.9510 1 -15 0 1 18.5219 30.7737 1 -15 0 0 77.2048 35.9247 1 -15 0 -1 44.2140 40.8645 1 -15 -1 8 123.191 52.1999 1 -15 -1 7 221.482 63.5169 1 -15 -1 6 119.870 50.7224 1 -15 -1 5-12.8414 34.7781 1 -15 -1 4 235.490 58.2119 1 -15 -1 3 98.4164 48.3904 1 -15 -1 2 416.171 72.5184 1 -15 -1 1 94.8327 44.7463 1 -15 -1 0-27.8305 37.6027 1 -15 -1 -1-85.6674 50.4123 1 -15 -1 -2 24.5298 36.7390 1 -15 -1 -3 349.413 66.2668 1 -15 -1 -4 2497.85 166.745 1 -15 -2 7-4.75808 40.9140 1 -15 -2 6-3.71848 37.0426 1 -15 -2 5 237.088 63.7680 1 -15 -2 4-11.8568 36.6324 1 -15 -2 3 1567.23 138.600 1 -15 -2 2 93.3293 46.2622 1 -15 -2 1 19.1195 39.4081 1 -15 -2 0-1.59013 35.7959 1 -15 -2 -1 471.787 77.1386 1 -15 -2 -2 82.7401 45.9656 1 -15 -2 -3 338.259 68.8947 1 -15 -2 -4 158.485 55.1527 1 -15 -2 -5 619.950 93.4120 1 -15 -3 7 259.131 74.4827 1 -15 -3 6-47.6376 43.5824 1 -15 -3 5 114.790 44.5329 1 -15 -3 4 135.924 56.1434 1 -15 -3 3 100.063 55.3802 1 -15 -3 2 267.087 67.0681 1 -15 -3 1 39.5048 43.9436 1 -15 -3 0-2.16884 36.7948 1 -15 -3 -1 146.282 53.6418 1 -15 -3 -2 30.3327 35.4296 1 -15 -3 -3 10.9228 36.3985 1 -15 -3 -4 161.119 54.1214 1 -15 -3 -5 578.229 91.6907 1 -15 -4 5 10.7966 38.9073 1 -15 -4 4 10.3600 40.0373 1 -15 -4 3 43.9082 43.8701 1 -15 -4 2 99.4080 48.4562 1 -15 -4 1 70.1285 49.8027 1 -15 -4 0 39.3532 44.2168 1 -15 -4 -1 49.8001 40.6695 1 -15 -4 -2 272.311 62.8752 1 -15 -4 -3 521.400 86.8582 1 -15 -4 -4 219.717 64.6221 1 -15 -4 -5 10.6760 40.9327 1 -15 -5 4 438.493 85.5553 1 -15 -5 3 98.8657 53.7436 1 -15 -5 2 249.170 66.1027 1 -15 -5 1 18.7631 41.2102 1 -15 -5 0-5.50932 38.1759 1 -15 -5 -1-75.5497 46.3037 1 -15 -5 -2 141.604 51.8030 1 -15 -5 -3-4.70563 38.5790 1 0 0 0 0.00 0.00 0 TITL MII-C2DS002 in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 0.71073 11.652137 16.539958 14.511537 90.0000 93.4946 90.0000 ZERR 12.00 0.000501 0.000838 0.000777 0.0000 0.0042 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O UNIT 132.00 120.00 12.00 12.00 TREF HKLF 4 END ) _shelx_hkl_checksum 47738 _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 0.71073 _diffrn_standards_number 0 _diffrn_standards_interval_time . _diffrn_standards_interval_count . _diffrn_standards_decay_% ? _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.813 _diffrn_reflns_theta_max 29.403 _diffrn_reflns_av_unetI/netI 0.076825 _diffrn_reflns_number 15951 _diffrn_reflns_number_extinctions 0 _diffrn_reflns_number_accepted 15951 _diffrn_reflns_number_rejected 0 _diffrn_ambient_temperature 293 _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _exptl_crystal_description prism _exptl_crystal_colour yellow _exptl_crystal_size_max 0 _exptl_crystal_size_mid 0 _exptl_crystal_size_min 0 _exptl_crystal_density_method 'not measured' _exptl_crystal_F000 1516 _cell_length_a 11.6521(5) _cell_length_b 16.5400(8) _cell_length_c 14.5115(8) _cell_angle_alpha 90 _cell_angle_beta 93.495(4) _cell_angle_gamma 90 _cell_volume 2791.5(2) _cell_measurement_temperature 293 _cell_measurement_wavelength 0.71073 _cell_measurement_reflns_used 0 _cell_measurement_theta_max 0 _cell_measurement_theta_min 0 _exptl_absorpt_coefficient_mu 1.047 _exptl_absorpt_correction_type ? loop_ _atom_type_symbol _atom_type_number_in_cell C 104 H 96 Cl 8 Cu 4 N 32 O 40 _cell_formula_units_Z 4 _chemical_formula_moiety 'C26 H23 Cl1 Cu1 N8 O6' _chemical_formula_sum 'C26 H23 Cl1 Cu1 N8 O6' _chemical_compound_source 'synthesis as described' _space_group_crystal_system monoclinic _space_group_name_H-M_alt P121/c1 _space_group_name_Hall '-P 2ybc' _space_group_IT_number 14 _computing_structure_solution ? _computing_structure_refinement 'SHELXL (Sheldrick, 2008)' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX publication routines (Farrugia, 1999)' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _refine_ls_number_constraints 0 _refine_ls_number_restraints 0 ; _shelx_hkl_checksum 67492 _publcif_info_exptl_table_max_cols 4 _publcif_info_exptl_table_use_headnotes n loop_ _publcif_info_datablock.id _publcif_info_datablock.publ_exptl _publcif_info_datablock.publ_geom _publcif_info_datablock.structure '{f575edfb-64a0-4e58-a105-6114c5093be5}' y y y loop_ _publcif_info_exptl_table_extra_item sin_theta_over_lambda_max loop_ _publcif_info_exptl_table_header_item ? loop_ _publcif_info_tables.block_id _publcif_info_tables.reference_item "{f575edfb-64a0-4e58-a105-6114c5093be5}" "_geom_bond_atom_site_label_1" "{f575edfb-64a0-4e58-a105-6114c5093be5}" "_publcif_info_datablock.publ_exptl" "{f575edfb-64a0-4e58-a105-6114c5093be5}" "_geom_hbond_atom_site_label_D" loop_ _publcif_info_cif.paper_type EE _publcif_funding_html ; ;