data_amx-f41-100k _audit_creation_date 2017-12-19 _audit_creation_method ; Olex2 1.2 (compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381) ; _shelx_SHELXL_version_number '2014/7' _publ_contact_author_address 'Department of Chemical Science, IISER Mohali' _publ_contact_author_email angshurc@iisermohali.ac.in _publ_contact_author_id_orcid ? _publ_contact_author_name 'Angshuman Roy Choudhury' _publ_contact_author_phone 8054001404 _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety '2(C17 H17 Cl N3 O)+, (C3 H2 O4)2-, 2(H2 O)' _chemical_formula_sum 'C37 H40 Cl2 N6 O8' _chemical_formula_weight 767.65 _chemical_melting_point ? _chemical_oxdiff_formula 'C37 H40 N6 Cl2 O8' 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' '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' _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. ; _space_group_crystal_system 'monoclinic' _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/c 1' _space_group_name_Hall '-P 2ybc' 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 21.3440(9) _cell_length_b 9.9544(4) _cell_length_c 17.4685(8) _cell_angle_alpha 90 _cell_angle_beta 102.041(4) _cell_angle_gamma 90 _cell_volume 3629.8(3) _cell_formula_units_Z 4 _cell_measurement_reflns_used 5636 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 24.9600 _cell_measurement_theta_min 2.7940 _shelx_estimated_absorpt_T_max 0.931 _shelx_estimated_absorpt_T_min 0.910 _exptl_absorpt_coefficient_mu 0.241 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.86363 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.35c (Rigaku Oxford Diffraction, 2017) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour 'clear light colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.405 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description block _exptl_crystal_F_000 1608 _exptl_crystal_size_max 0.4 _exptl_crystal_size_mid 0.3 _exptl_crystal_size_min 0.3 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0384 _diffrn_reflns_av_unetI/netI 0.0358 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 20959 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 25.054 _diffrn_reflns_theta_min 2.654 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -69.00 118.20 0.30 25.00 -- 29.89 54.00-180.00 624 2 \w -69.00 118.20 0.30 25.00 -- 29.89 54.00 -60.00 624 ; _diffrn_measurement_device 'two-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Mini (ROW)' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0143742000 _diffrn_orient_matrix_UB_12 0.0619529000 _diffrn_orient_matrix_UB_13 0.0140563000 _diffrn_orient_matrix_UB_21 0.0171460000 _diffrn_orient_matrix_UB_22 -0.0328003000 _diffrn_orient_matrix_UB_23 0.0340105000 _diffrn_orient_matrix_UB_31 0.0255940000 _diffrn_orient_matrix_UB_32 -0.0127448000 _diffrn_orient_matrix_UB_33 -0.0191850000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Rigaku (Mo) X-ray Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 5196 _reflns_number_total 6407 _reflns_odcompleteness_completeness 96.57 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 25.30 _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. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)' _computing_data_collection 'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)' _computing_data_reduction 'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'XT (Sheldrick, 2015)' _refine_diff_density_max 1.139 _refine_diff_density_min -0.350 _refine_diff_density_rms 0.064 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.077 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 497 _refine_ls_number_reflns 6407 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0712 _refine_ls_R_factor_gt 0.0571 _refine_ls_restrained_S_all 1.077 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0578P)^2^+5.1883P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1380 _refine_ls_wR_factor_ref 0.1475 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups, All N(H,H) groups At 1.5 times of: All O(H,H) groups 2. Others Sof(O8A)=Sof(H8AA)=Sof(H8AB)=1-FVAR(1) Sof(O8B)=Sof(H8BA)=Sof(H8BB)=FVAR(1) 3.a Free rotating group: O7(H7A,H7B), O8A(H8AA,H8AB), O8B(H8BA,H8BB) 3.b Secondary CH2 refined with riding coordinates: N3(H3A,H3B), N6(H6A,H6B), C36(H36A,H36B), C17(H17A,H17B), C16(H16A,H16B), C15(H15A,H15B), C14(H14A,H14B), C31(H31A,H31B), C32(H32A,H32B), C34(H34A,H34B), C33(H33A,H33B) 3.c Aromatic/amide H refined with riding coordinates: C4(H4), C7(H7), C21(H21), C26(H26), C9(H9), C29(H29), C12(H12), C6(H6), C24(H24), C23(H23), C27(H27), C28(H28), C10(H10), C11(H11) ; _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary ? _atom_sites_solution_secondary ? 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 Cl1 Cl 0.93982(4) 0.87110(8) 0.60531(5) 0.0360(2) Uani 1 1 d . . . . . Cl2 Cl 0.91859(4) 0.25300(8) 0.63836(5) 0.0414(2) Uani 1 1 d . . . . . O1 O 0.86755(9) 0.4445(2) 0.36981(12) 0.0284(5) Uani 1 1 d . . . . . O2 O 0.80686(10) 0.7181(2) 0.76858(12) 0.0316(5) Uani 1 1 d . . . . . O5 O 0.41974(9) 0.4655(2) 0.11058(12) 0.0326(5) Uani 1 1 d . . . . . O6 O 0.46087(11) 0.2847(2) 0.06489(14) 0.0387(5) Uani 1 1 d . . . . . O3 O 0.54365(11) 0.6330(2) 0.20235(13) 0.0405(6) Uani 1 1 d . . . . . O7 O 0.61864(11) 0.2089(2) 0.47018(15) 0.0416(6) Uani 1 1 d . . . . . H7A H 0.5835 0.2508 0.4667 0.062 Uiso 1 1 d G . . . . H7B H 0.6081 0.1348 0.4468 0.062 Uiso 1 1 d G . . . . N2 N 0.72748(11) 0.6096(2) 0.47204(14) 0.0246(5) Uani 1 1 d . . . . . N4 N 0.68857(12) 0.6355(2) 0.66766(14) 0.0267(5) Uani 1 1 d . . . . . N3 N 0.61448(11) 0.6528(2) 0.35247(14) 0.0249(5) Uani 1 1 d . . . . . H3A H 0.5906 0.6370 0.3037 0.030 Uiso 1 1 calc R . . . . H3B H 0.5927 0.7120 0.3768 0.030 Uiso 1 1 calc R . . . . N1 N 0.76151(11) 0.3978(2) 0.44755(14) 0.0268(5) Uani 1 1 d . . . . . O4 O 0.57944(13) 0.4245(3) 0.22815(14) 0.0511(7) Uani 1 1 d . . . . . N5 N 0.68721(12) 0.4049(2) 0.67949(15) 0.0301(6) Uani 1 1 d . . . . . N6 N 0.59642(12) 0.3381(3) 0.77360(16) 0.0366(6) Uani 1 1 d . . . . . H6A H 0.5838 0.2542 0.7561 0.044 Uiso 1 1 calc R . . . . H6B H 0.5751 0.3598 0.8118 0.044 Uiso 1 1 calc R . . . . O8A O 0.49296(14) 0.3308(3) 0.42530(18) 0.0300(10) Uani 0.737(7) 1 d . . P A 2 H8AA H 0.4663 0.3213 0.3822 0.045 Uiso 0.737(7) 1 d G . P A 2 H8AB H 0.4753 0.2927 0.4589 0.045 Uiso 0.737(7) 1 d G . P A 2 C2 C 0.84034(13) 0.5846(3) 0.47133(17) 0.0254(6) Uani 1 1 d . . . . . C18 C 0.72042(14) 0.5255(3) 0.68309(17) 0.0274(6) Uani 1 1 d . . . . . C20 C 0.83268(14) 0.6089(3) 0.73574(17) 0.0286(7) Uani 1 1 d . . . . . C8 C 0.80626(14) 0.3001(3) 0.43915(17) 0.0272(6) Uani 1 1 d . . . . . C1 C 0.77522(13) 0.5223(3) 0.45977(16) 0.0251(6) Uani 1 1 d . . . . . C4 C 0.85875(14) 0.6853(3) 0.52747(17) 0.0276(6) Uani 1 1 d . . . . . H4 H 0.8304 0.7126 0.5599 0.033 Uiso 1 1 calc R . . . . C30 C 0.77483(14) 0.8034(3) 0.70875(17) 0.0278(6) Uani 1 1 d . . . . . C36 C 0.52874(13) 0.4772(3) 0.09678(17) 0.0259(6) Uani 1 1 d . . . . . H36A H 0.5599 0.4189 0.0778 0.031 Uiso 1 1 calc R . . . . H36B H 0.5225 0.5597 0.0645 0.031 Uiso 1 1 calc R . . . . C13 C 0.85679(14) 0.3185(3) 0.40059(17) 0.0277(6) Uani 1 1 d . . . . . C7 C 0.94316(14) 0.6043(3) 0.43489(18) 0.0303(7) Uani 1 1 d . . . . . H7 H 0.9719 0.5759 0.4033 0.036 Uiso 1 1 calc R . . . . C19 C 0.79167(14) 0.5124(3) 0.69536(17) 0.0280(6) Uani 1 1 d . . . . . C17 C 0.62344(13) 0.5244(3) 0.39750(17) 0.0261(6) Uani 1 1 d . . . . . H17A H 0.6435 0.4566 0.3688 0.031 Uiso 1 1 calc R . . . . H17B H 0.5813 0.4893 0.4036 0.031 Uiso 1 1 calc R . . . . C25 C 0.71698(14) 0.7605(3) 0.66075(17) 0.0258(6) Uani 1 1 d . . . . . C16 C 0.66550(13) 0.5488(3) 0.47687(17) 0.0250(6) Uani 1 1 d . . . . . H16A H 0.6428 0.6090 0.5072 0.030 Uiso 1 1 calc R . . . . H16B H 0.6733 0.4624 0.5053 0.030 Uiso 1 1 calc R . . . . C35 C 0.55410(14) 0.5134(3) 0.18209(18) 0.0301(7) Uani 1 1 d . . . . . C21 C 0.81925(14) 0.4030(3) 0.66350(18) 0.0294(7) Uani 1 1 d . . . . . H21 H 0.7927 0.3365 0.6340 0.035 Uiso 1 1 calc R . . . . C37 C 0.46481(13) 0.4034(3) 0.08972(17) 0.0264(6) Uani 1 1 d . . . . . C26 C 0.68351(14) 0.8540(3) 0.60782(17) 0.0279(6) Uani 1 1 d . . . . . H26 H 0.6431 0.8300 0.5764 0.034 Uiso 1 1 calc R . . . . C15 C 0.67679(13) 0.7127(3) 0.34579(17) 0.0264(6) Uani 1 1 d . . . . . H15A H 0.6693 0.7992 0.3174 0.032 Uiso 1 1 calc R . . . . H15B H 0.6992 0.6517 0.3156 0.032 Uiso 1 1 calc R . . . . C3 C 0.88387(13) 0.5429(3) 0.42686(16) 0.0253(6) Uani 1 1 d . . . . . C5 C 0.91827(14) 0.7449(3) 0.53557(18) 0.0282(6) Uani 1 1 d . . . . . C9 C 0.79601(15) 0.1689(3) 0.46403(19) 0.0327(7) Uani 1 1 d . . . . . H9 H 0.7616 0.1528 0.4896 0.039 Uiso 1 1 calc R . . . . C29 C 0.79970(15) 0.9294(3) 0.70182(18) 0.0302(7) Uani 1 1 d . . . . . H29 H 0.8393 0.9552 0.7343 0.036 Uiso 1 1 calc R . . . . C12 C 0.89429(14) 0.2127(3) 0.38573(18) 0.0334(7) Uani 1 1 d . . . . . H12 H 0.9271 0.2273 0.3573 0.040 Uiso 1 1 calc R . . . . C6 C 0.96073(14) 0.7072(3) 0.48893(18) 0.0307(7) Uani 1 1 d . . . . . H6 H 1.0009 0.7510 0.4939 0.037 Uiso 1 1 calc R . . . . C14 C 0.71831(13) 0.7357(3) 0.42662(17) 0.0257(6) Uani 1 1 d . . . . . H14A H 0.7605 0.7713 0.4213 0.031 Uiso 1 1 calc R . . . . H14B H 0.6978 0.8034 0.4549 0.031 Uiso 1 1 calc R . . . . C24 C 0.89889(15) 0.5998(3) 0.74638(18) 0.0327(7) Uani 1 1 d . . . . . H24 H 0.9256 0.6681 0.7738 0.039 Uiso 1 1 calc R . . . . C23 C 0.92541(15) 0.4896(3) 0.71649(19) 0.0351(7) Uani 1 1 d . . . . . H23 H 0.9706 0.4806 0.7241 0.042 Uiso 1 1 calc R . . . . C27 C 0.70822(15) 0.9808(3) 0.60036(19) 0.0326(7) Uani 1 1 d . . . . . H27 H 0.6853 1.0424 0.5633 0.039 Uiso 1 1 calc R . . . . C28 C 0.76663(15) 1.0180(3) 0.64726(19) 0.0342(7) Uani 1 1 d . . . . . H28 H 0.7838 1.1046 0.6417 0.041 Uiso 1 1 calc R . . . . C22 C 0.88541(15) 0.3928(3) 0.67535(19) 0.0318(7) Uani 1 1 d . . . . . C31 C 0.66715(14) 0.3370(3) 0.80761(18) 0.0312(7) Uani 1 1 d . . . . . H31A H 0.6770 0.2672 0.8488 0.037 Uiso 1 1 calc R . . . . H31B H 0.6804 0.4251 0.8319 0.037 Uiso 1 1 calc R . . . . C32 C 0.70411(16) 0.3081(3) 0.74362(19) 0.0334(7) Uani 1 1 d . . . . . H32A H 0.7507 0.3131 0.7658 0.040 Uiso 1 1 calc R . . . . H32B H 0.6942 0.2160 0.7232 0.040 Uiso 1 1 calc R . . . . C10 C 0.83446(16) 0.0637(3) 0.45225(19) 0.0367(7) Uani 1 1 d . . . . . H10 H 0.8273 -0.0233 0.4712 0.044 Uiso 1 1 calc R . . . . C34 C 0.61773(15) 0.4057(3) 0.64667(19) 0.0329(7) Uani 1 1 d . . . . . H34A H 0.6049 0.3172 0.6226 0.039 Uiso 1 1 calc R . . . . H34B H 0.6081 0.4745 0.6049 0.039 Uiso 1 1 calc R . . . . C11 C 0.88399(15) 0.0841(3) 0.4126(2) 0.0384(8) Uani 1 1 d . . . . . H11 H 0.9104 0.0113 0.4039 0.046 Uiso 1 1 calc R . . . . C33 C 0.57889(15) 0.4351(3) 0.70796(18) 0.0337(7) Uani 1 1 d . . . . . H33A H 0.5875 0.5279 0.7278 0.040 Uiso 1 1 calc R . . . . H33B H 0.5326 0.4275 0.6845 0.040 Uiso 1 1 calc R . . . . O8B O 0.5199(6) 0.3698(11) 0.4930(8) 0.062(4) Uani 0.263(7) 1 d . . P A 1 H8BA H 0.4987 0.4409 0.4964 0.093 Uiso 0.263(7) 1 d G . P A 1 H8BB H 0.5116 0.3117 0.5251 0.093 Uiso 0.263(7) 1 d G . P A 1 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 Cl1 0.0270(4) 0.0382(4) 0.0423(5) -0.0089(3) 0.0061(3) -0.0015(3) Cl2 0.0329(4) 0.0377(4) 0.0595(6) -0.0030(4) 0.0231(4) 0.0045(3) O1 0.0271(11) 0.0321(11) 0.0272(11) 0.0011(9) 0.0085(8) -0.0012(9) O2 0.0390(12) 0.0316(11) 0.0255(11) -0.0024(9) 0.0099(9) 0.0024(9) O5 0.0253(11) 0.0398(12) 0.0355(12) -0.0015(10) 0.0128(9) -0.0009(9) O6 0.0386(13) 0.0282(12) 0.0546(15) -0.0026(11) 0.0216(11) -0.0074(10) O3 0.0436(14) 0.0419(14) 0.0353(13) -0.0106(10) 0.0070(10) -0.0041(11) O7 0.0434(14) 0.0371(13) 0.0491(15) -0.0018(11) 0.0208(12) -0.0016(11) N2 0.0188(12) 0.0271(13) 0.0292(13) 0.0030(10) 0.0082(10) 0.0005(10) N4 0.0292(13) 0.0256(13) 0.0286(13) 0.0010(10) 0.0135(10) -0.0005(10) N3 0.0258(13) 0.0255(12) 0.0241(13) -0.0024(10) 0.0068(10) 0.0038(10) N1 0.0238(13) 0.0278(13) 0.0298(14) 0.0039(10) 0.0082(10) 0.0007(10) O4 0.0634(17) 0.0476(15) 0.0347(14) -0.0005(12) -0.0076(12) 0.0089(13) N5 0.0288(14) 0.0260(13) 0.0405(15) 0.0027(11) 0.0188(11) -0.0019(10) N6 0.0311(14) 0.0483(17) 0.0341(15) -0.0042(13) 0.0155(12) -0.0058(12) O8A 0.0325(17) 0.0312(17) 0.0270(19) 0.0060(13) 0.0080(13) -0.0045(12) C2 0.0198(14) 0.0289(15) 0.0278(16) 0.0064(12) 0.0055(11) 0.0020(12) C18 0.0328(16) 0.0293(16) 0.0243(15) 0.0002(12) 0.0154(12) -0.0011(13) C20 0.0350(17) 0.0289(15) 0.0244(15) 0.0042(12) 0.0120(12) 0.0031(13) C8 0.0225(15) 0.0305(16) 0.0277(16) 0.0017(12) 0.0033(12) 0.0024(12) C1 0.0217(15) 0.0311(16) 0.0233(15) 0.0045(12) 0.0065(11) 0.0030(12) C4 0.0232(15) 0.0313(16) 0.0294(16) 0.0051(13) 0.0078(12) 0.0031(12) C30 0.0330(16) 0.0274(15) 0.0252(15) -0.0021(12) 0.0111(12) 0.0012(12) C36 0.0255(15) 0.0291(15) 0.0253(15) -0.0015(12) 0.0103(12) -0.0013(12) C13 0.0252(15) 0.0310(16) 0.0256(16) -0.0007(12) 0.0025(12) -0.0012(12) C7 0.0228(15) 0.0379(17) 0.0323(17) 0.0018(14) 0.0108(12) 0.0006(13) C19 0.0298(16) 0.0278(15) 0.0290(16) 0.0045(12) 0.0124(13) -0.0004(12) C17 0.0232(15) 0.0275(15) 0.0288(16) 0.0001(12) 0.0085(12) 0.0002(12) C25 0.0317(16) 0.0257(15) 0.0239(15) -0.0029(12) 0.0145(12) -0.0005(12) C16 0.0203(14) 0.0302(15) 0.0271(15) 0.0023(12) 0.0110(12) -0.0015(11) C35 0.0258(16) 0.0337(17) 0.0313(17) -0.0008(14) 0.0073(13) -0.0007(13) C21 0.0298(16) 0.0279(15) 0.0336(17) 0.0034(13) 0.0142(13) -0.0017(12) C37 0.0243(15) 0.0350(17) 0.0217(15) 0.0043(12) 0.0088(12) 0.0005(12) C26 0.0298(16) 0.0297(16) 0.0269(16) -0.0021(12) 0.0120(12) 0.0022(12) C15 0.0265(15) 0.0289(15) 0.0264(16) 0.0020(12) 0.0116(12) 0.0015(12) C3 0.0242(15) 0.0279(15) 0.0235(15) 0.0034(12) 0.0045(11) -0.0003(12) C5 0.0240(15) 0.0298(16) 0.0295(16) 0.0010(12) 0.0027(12) -0.0011(12) C9 0.0305(17) 0.0306(16) 0.0360(18) 0.0056(13) 0.0045(13) -0.0006(13) C29 0.0321(16) 0.0325(16) 0.0284(16) -0.0079(13) 0.0115(13) -0.0024(13) C12 0.0240(16) 0.0419(18) 0.0329(17) -0.0084(14) 0.0028(13) 0.0019(13) C6 0.0209(15) 0.0357(17) 0.0364(18) 0.0024(14) 0.0083(13) -0.0015(12) C14 0.0213(14) 0.0262(15) 0.0308(16) 0.0010(12) 0.0085(12) 0.0005(11) C24 0.0330(17) 0.0350(17) 0.0304(17) 0.0008(13) 0.0076(13) -0.0044(13) C23 0.0278(17) 0.0426(19) 0.0371(18) 0.0072(15) 0.0116(14) 0.0023(14) C27 0.0374(18) 0.0283(16) 0.0346(17) 0.0016(13) 0.0133(14) 0.0015(13) C28 0.0390(18) 0.0244(15) 0.0426(19) -0.0029(14) 0.0166(15) -0.0029(13) C22 0.0299(16) 0.0323(16) 0.0376(18) 0.0053(14) 0.0175(13) 0.0032(13) C31 0.0294(16) 0.0359(17) 0.0300(17) -0.0013(13) 0.0102(13) -0.0029(13) C32 0.0370(18) 0.0284(16) 0.0408(19) 0.0014(14) 0.0217(15) 0.0006(13) C10 0.0380(18) 0.0290(16) 0.0389(19) 0.0011(14) -0.0019(14) 0.0013(14) C34 0.0329(17) 0.0334(17) 0.0356(18) -0.0030(14) 0.0146(14) -0.0063(13) C11 0.0319(18) 0.0358(18) 0.043(2) -0.0083(15) -0.0011(14) 0.0062(14) C33 0.0285(16) 0.0435(19) 0.0313(17) 0.0000(14) 0.0112(13) -0.0009(14) O8B 0.070(8) 0.052(7) 0.074(10) 0.012(6) 0.039(7) -0.002(6) _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 Cl1 C5 1.744(3) . ? Cl2 C22 1.746(3) . ? O1 C13 1.403(4) . ? O1 C3 1.389(4) . ? O2 C20 1.395(4) . ? O2 C30 1.408(4) . ? O5 C37 1.259(3) . ? O6 C37 1.256(4) . ? O3 C35 1.275(4) . ? O7 H7A 0.8501 . ? O7 H7B 0.8502 . ? N2 C1 1.389(4) . ? N2 C16 1.473(3) . ? N2 C14 1.476(4) . ? N4 C18 1.287(4) . ? N4 C25 1.400(4) . ? N3 H3A 0.9100 . ? N3 H3B 0.9100 . ? N3 C17 1.492(4) . ? N3 C15 1.484(4) . ? N1 C8 1.392(4) . ? N1 C1 1.281(4) . ? O4 C35 1.242(4) . ? N5 C18 1.390(4) . ? N5 C32 1.465(4) . ? N5 C34 1.474(4) . ? N6 H6A 0.9100 . ? N6 H6B 0.9100 . ? N6 C31 1.503(4) . ? N6 C33 1.486(4) . ? O8A H8AA 0.8496 . ? O8A H8AB 0.8506 . ? C2 C1 1.496(4) . ? C2 C4 1.400(4) . ? C2 C3 1.393(4) . ? C18 C19 1.497(4) . ? C20 C19 1.389(4) . ? C20 C24 1.389(4) . ? C8 C13 1.398(4) . ? C8 C9 1.408(4) . ? C4 H4 0.9500 . ? C4 C5 1.382(4) . ? C30 C25 1.407(4) . ? C30 C29 1.378(4) . ? C36 H36A 0.9900 . ? C36 H36B 0.9900 . ? C36 C35 1.519(4) . ? C36 C37 1.532(4) . ? C13 C12 1.380(4) . ? C7 H7 0.9500 . ? C7 C3 1.386(4) . ? C7 C6 1.391(4) . ? C19 C21 1.406(4) . ? C17 H17A 0.9900 . ? C17 H17B 0.9900 . ? C17 C16 1.506(4) . ? C25 C26 1.398(4) . ? C16 H16A 0.9900 . ? C16 H16B 0.9900 . ? C21 H21 0.9500 . ? C21 C22 1.388(4) . ? C26 H26 0.9500 . ? C26 C27 1.385(4) . ? C15 H15A 0.9900 . ? C15 H15B 0.9900 . ? C15 C14 1.520(4) . ? C5 C6 1.390(4) . ? C9 H9 0.9500 . ? C9 C10 1.372(4) . ? C29 H29 0.9500 . ? C29 C28 1.380(4) . ? C12 H12 0.9500 . ? C12 C11 1.396(5) . ? C6 H6 0.9500 . ? C14 H14A 0.9900 . ? C14 H14B 0.9900 . ? C24 H24 0.9500 . ? C24 C23 1.385(5) . ? C23 H23 0.9500 . ? C23 C22 1.385(5) . ? C27 H27 0.9500 . ? C27 C28 1.391(5) . ? C28 H28 0.9500 . ? C31 H31A 0.9900 . ? C31 H31B 0.9900 . ? C31 C32 1.524(4) . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C10 H10 0.9500 . ? C10 C11 1.394(5) . ? C34 H34A 0.9900 . ? C34 H34B 0.9900 . ? C34 C33 1.513(4) . ? C11 H11 0.9500 . ? C33 H33A 0.9900 . ? C33 H33B 0.9900 . ? O8B H8BA 0.8497 . ? O8B H8BB 0.8499 . ? 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 C3 O1 C13 113.1(2) . . ? C20 O2 C30 109.7(2) . . ? H7A O7 H7B 104.5 . . ? C1 N2 C16 116.6(2) . . ? C1 N2 C14 117.9(2) . . ? C16 N2 C14 111.1(2) . . ? C18 N4 C25 123.7(3) . . ? H3A N3 H3B 108.0 . . ? C17 N3 H3A 109.3 . . ? C17 N3 H3B 109.3 . . ? C15 N3 H3A 109.3 . . ? C15 N3 H3B 109.3 . . ? C15 N3 C17 111.5(2) . . ? C1 N1 C8 123.8(2) . . ? C18 N5 C32 119.5(3) . . ? C18 N5 C34 118.4(2) . . ? C32 N5 C34 111.6(2) . . ? H6A N6 H6B 107.9 . . ? C31 N6 H6A 109.1 . . ? C31 N6 H6B 109.1 . . ? C33 N6 H6A 109.1 . . ? C33 N6 H6B 109.1 . . ? C33 N6 C31 112.4(2) . . ? H8AA O8A H8AB 104.5 . . ? C4 C2 C1 120.5(2) . . ? C3 C2 C1 120.7(3) . . ? C3 C2 C4 118.8(3) . . ? N4 C18 N5 118.9(3) . . ? N4 C18 C19 125.5(3) . . ? N5 C18 C19 115.1(2) . . ? C19 C20 O2 119.1(3) . . ? C19 C20 C24 122.6(3) . . ? C24 C20 O2 118.3(3) . . ? N1 C8 C13 125.1(3) . . ? N1 C8 C9 117.5(3) . . ? C13 C8 C9 117.1(3) . . ? N2 C1 C2 114.3(2) . . ? N1 C1 N2 118.8(3) . . ? N1 C1 C2 126.6(3) . . ? C2 C4 H4 120.1 . . ? C5 C4 C2 119.8(3) . . ? C5 C4 H4 120.1 . . ? C25 C30 O2 119.3(3) . . ? C29 C30 O2 118.6(3) . . ? C29 C30 C25 122.1(3) . . ? H36A C36 H36B 108.3 . . ? C35 C36 H36A 109.9 . . ? C35 C36 H36B 109.9 . . ? C35 C36 C37 108.8(2) . . ? C37 C36 H36A 109.9 . . ? C37 C36 H36B 109.9 . . ? C8 C13 O1 120.4(3) . . ? C12 C13 O1 117.6(3) . . ? C12 C13 C8 121.8(3) . . ? C3 C7 H7 119.8 . . ? C3 C7 C6 120.3(3) . . ? C6 C7 H7 119.8 . . ? C20 C19 C18 121.7(3) . . ? C20 C19 C21 117.7(3) . . ? C21 C19 C18 120.5(3) . . ? N3 C17 H17A 109.8 . . ? N3 C17 H17B 109.8 . . ? N3 C17 C16 109.4(2) . . ? H17A C17 H17B 108.2 . . ? C16 C17 H17A 109.8 . . ? C16 C17 H17B 109.8 . . ? N4 C25 C30 124.1(3) . . ? C26 C25 N4 118.5(3) . . ? C26 C25 C30 117.1(3) . . ? N2 C16 C17 112.5(2) . . ? N2 C16 H16A 109.1 . . ? N2 C16 H16B 109.1 . . ? C17 C16 H16A 109.1 . . ? C17 C16 H16B 109.1 . . ? H16A C16 H16B 107.8 . . ? O3 C35 C36 116.5(3) . . ? O4 C35 O3 124.3(3) . . ? O4 C35 C36 119.0(3) . . ? C19 C21 H21 120.2 . . ? C22 C21 C19 119.6(3) . . ? C22 C21 H21 120.2 . . ? O5 C37 C36 117.6(3) . . ? O6 C37 O5 124.2(3) . . ? O6 C37 C36 118.3(2) . . ? C25 C26 H26 119.4 . . ? C27 C26 C25 121.1(3) . . ? C27 C26 H26 119.4 . . ? N3 C15 H15A 109.6 . . ? N3 C15 H15B 109.6 . . ? N3 C15 C14 110.2(2) . . ? H15A C15 H15B 108.1 . . ? C14 C15 H15A 109.6 . . ? C14 C15 H15B 109.6 . . ? O1 C3 C2 120.9(2) . . ? C7 C3 O1 118.1(2) . . ? C7 C3 C2 120.9(3) . . ? C4 C5 Cl1 118.9(2) . . ? C4 C5 C6 121.5(3) . . ? C6 C5 Cl1 119.6(2) . . ? C8 C9 H9 119.2 . . ? C10 C9 C8 121.7(3) . . ? C10 C9 H9 119.2 . . ? C30 C29 H29 120.3 . . ? C30 C29 C28 119.4(3) . . ? C28 C29 H29 120.3 . . ? C13 C12 H12 120.1 . . ? C13 C12 C11 119.9(3) . . ? C11 C12 H12 120.1 . . ? C7 C6 H6 120.7 . . ? C5 C6 C7 118.7(3) . . ? C5 C6 H6 120.7 . . ? N2 C14 C15 110.9(2) . . ? N2 C14 H14A 109.5 . . ? N2 C14 H14B 109.5 . . ? C15 C14 H14A 109.5 . . ? C15 C14 H14B 109.5 . . ? H14A C14 H14B 108.0 . . ? C20 C24 H24 120.5 . . ? C23 C24 C20 119.0(3) . . ? C23 C24 H24 120.5 . . ? C24 C23 H23 120.3 . . ? C22 C23 C24 119.4(3) . . ? C22 C23 H23 120.3 . . ? C26 C27 H27 120.0 . . ? C26 C27 C28 119.9(3) . . ? C28 C27 H27 120.0 . . ? C29 C28 C27 120.2(3) . . ? C29 C28 H28 119.9 . . ? C27 C28 H28 119.9 . . ? C21 C22 Cl2 118.8(2) . . ? C23 C22 Cl2 119.5(2) . . ? C23 C22 C21 121.6(3) . . ? N6 C31 H31A 109.7 . . ? N6 C31 H31B 109.7 . . ? N6 C31 C32 110.0(3) . . ? H31A C31 H31B 108.2 . . ? C32 C31 H31A 109.7 . . ? C32 C31 H31B 109.7 . . ? N5 C32 C31 110.7(2) . . ? N5 C32 H32A 109.5 . . ? N5 C32 H32B 109.5 . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 108.1 . . ? C9 C10 H10 119.9 . . ? C9 C10 C11 120.2(3) . . ? C11 C10 H10 119.9 . . ? N5 C34 H34A 109.1 . . ? N5 C34 H34B 109.1 . . ? N5 C34 C33 112.4(3) . . ? H34A C34 H34B 107.9 . . ? C33 C34 H34A 109.1 . . ? C33 C34 H34B 109.1 . . ? C12 C11 H11 120.3 . . ? C10 C11 C12 119.3(3) . . ? C10 C11 H11 120.3 . . ? N6 C33 C34 109.5(3) . . ? N6 C33 H33A 109.8 . . ? N6 C33 H33B 109.8 . . ? C34 C33 H33A 109.8 . . ? C34 C33 H33B 109.8 . . ? H33A C33 H33B 108.2 . . ? H8BA O8B H8BB 109.5 . . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 3 0 0 972.04 12.57 4 0 0 1334.58 17.19 5 0 0 1014.76 11.13 -5 0 0 989.57 11.12 5 0 0 1024.27 15.31 6 0 0 1145.47 12.63 -6 0 0 1105.22 12.66 6 0 0 1146.28 17.63 7 0 0 119.2 5.31 7 0 0 113.56 3.06 8 0 0 2409.59 24.59 8 0 0 2451.06 32.27 9 0 0 235.44 8.62 9 0 0 214.05 4.87 10 0 0 498.63 8.24 10 0 0 518.78 13.79 11 0 0 87.48 5.82 11 0 0 80.18 3.07 12 0 0 145.53 4.27 12 0 0 151.59 7.94 13 0 0 450.36 14.4 13 0 0 350.4 7.26 14 0 0 1.4 0.62 14 0 0 3.55 1.58 15 0 0 213.97 10.73 16 0 0 8.35 2.5 17 0 0 9.58 3.01 18 0 0 15.53 3.46 19 0 0 9.41 3.17 20 0 0 139.5 10.28 21 0 0 32.55 5.26 22 0 0 0.86 2.5 23 0 0 155.87 11.96 24 0 0 19.2 4.54 2 -1 0 47.46 2.09 2 -1 0 51.94 2.32 -2 1 0 48.74 2.18 2 1 0 49.42 2.16 3 -1 0 303.68 6.01 3 -1 0 303.66 6.7 3 1 0 302.11 6.38 4 -1 0 251.49 5.62 4 1 0 244.17 6.24 4 -1 0 257.49 6.64 5 -1 0 1272.88 16.12 5 1 0 1252.12 18.09 5 -1 0 1275.33 18.51 6 1 0 196.66 6.59 6 -1 0 195.51 5.28 6 -1 0 203.2 6.77 7 -1 0 2768.62 34.4 7 -1 0 2727.44 30.08 7 1 0 2745.77 34.16 8 -1 0 49.58 2.82 8 1 0 45.22 3.62 9 -1 0 294.09 9.86 9 -1 0 294.07 7.35 9 1 0 297.08 9.82 10 1 0 203.35 8.45 10 -1 0 191.21 6.02 10 -1 0 197.83 8.44 11 1 0 4.23 1.39 11 -1 0 7.88 1.92 11 -1 0 5.32 1.15 12 -1 0 39.5 4.27 12 -1 0 35.61 2.74 12 1 0 35.47 3.85 13 -1 0 218.34 6.89 13 -1 0 230.18 10.37 13 1 0 226.71 10.21 14 1 0 66.66 5.78 14 -1 0 65.51 3.79 14 -1 0 65.17 5.86 15 -1 0 38 2.97 15 -1 0 40.48 4.82 15 1 0 45.76 5.07 16 -1 0 3.45 1.06 16 1 0 2.91 1.8 16 -1 0 3.73 1.96 17 -1 0 185.27 10.83 17 1 0 188.57 10.78 18 1 0 5.86 2.64 18 -1 0 0.69 1.64 19 -1 0 38.38 5.35 19 1 0 34.77 5.14 20 1 0 72.58 7.39 20 -1 0 79.3 7.88 21 -1 0 0.95 1.87 21 1 0 0.81 2.52 22 1 0 51.32 7.03 22 -1 0 48.86 6.72 23 1 0 67.18 7.93 23 -1 0 70.19 8.18 24 -1 0 7.46 3.67 24 1 0 10.28 4.55 0 -2 0 9.32 1.21 0 2 0 9.05 1.19 1 2 0 427.15 8.22 1 -2 0 409.71 8.44 -1 -2 0 408.82 7.88 -1 2 0 411.83 8.18 2 2 0 49.53 2.69 2 -2 0 46.16 2.77 -2 -2 0 45.9 2.36 -2 2 0 46.57 2.66 3 -2 0 382.02 8.53 -3 -2 0 382.95 7 -3 2 0 386.14 8.48 3 2 0 372.08 8.25 -4 2 0 13.96 1.69 4 -2 0 11.32 1.48 -4 -2 0 12.47 1.14 4 -2 0 13.08 1.71 4 2 0 11.01 1.5 5 -2 0 647.02 12.22 5 -2 0 632.84 13.1 5 2 0 639.19 12.62 -5 -2 0 648.88 8.99 6 -2 0 17.32 2.29 6 2 0 16.89 2.07 6 -2 0 17.29 1.91 -6 -2 0 16.76 1.14 7 -2 0 654.74 12.76 7 2 0 638.67 13.85 7 -2 0 642.79 14.45 -7 -2 0 628.72 7.86 8 -2 0 95.49 4.61 8 2 0 104.57 5.6 8 -2 0 96.55 5.61 9 2 0 305.86 10.3 9 -2 0 314.53 10.71 9 -2 0 308.82 8.79 10 -2 0 241.16 9.77 10 -2 0 225.75 7.65 10 2 0 242.33 9.54 11 -2 0 216.96 9.63 11 2 0 203.96 9.05 11 -2 0 209.32 7.43 12 -2 0 5.54 2.09 12 2 0 4.99 1.82 12 -2 0 2.56 1.05 13 -2 0 110.64 7.39 13 2 0 123.22 7.62 13 -2 0 118.21 5.73 14 -2 0 3.51 1.63 14 -2 0 1.99 0.88 14 2 0 2.89 1.71 15 2 0 64.67 5.99 15 -2 0 60.73 5.96 15 -2 0 68.55 4.61 16 2 0 5.57 1.93 16 -2 0 5.07 1.62 16 -2 0 5.7 2.05 17 -2 0 238.53 8.8 17 -2 0 244.26 12.72 17 2 0 247.81 12.47 18 -2 0 66.84 6.93 18 2 0 76.39 7.35 18 -2 0 45.93 4 19 2 0 122.37 9.35 19 -2 0 122.17 9.7 20 -2 0 43.99 6.36 20 2 0 38.31 5.38 21 -2 0 16.88 4 21 2 0 13.76 4.03 22 2 0 45.47 6.6 22 -2 0 49.17 7.06 23 2 0 3.24 3.17 23 -2 0 -1.41 2.54 24 -2 0 -1.35 2.05 24 2 0 -1.68 2.39 0 3 0 0.55 0.68 0 -3 0 -0.42 0.6 1 -3 0 1.62 0.99 1 3 0 1.06 0.81 -1 3 0 0.05 0.68 -1 -3 0 1.34 0.8 -2 -3 0 195.68 6.26 -2 3 0 197.59 6.68 2 -3 0 199.59 6.96 2 3 0 195.93 6.53 3 -3 0 656.7 13.51 -3 -3 0 658.04 11.98 3 3 0 664.79 13.07 -3 3 0 649.19 13.08 4 3 0 818.18 15.17 4 -3 0 822.75 15.69 -4 3 0 800.56 15.19 -4 -3 0 796.48 13.18 -5 3 0 107.66 5.39 -5 -3 0 110.75 4.21 5 -3 0 103.25 5.31 5 3 0 111.36 5.41 -6 -3 0 207.85 5.65 6 3 0 209.2 7.77 -6 3 0 208.63 7.83 6 -3 0 217.84 7.76 -7 -3 0 4.67 0.93 7 -3 0 3.76 1.35 7 3 0 4.55 1.44 7 -3 0 4.55 1.44 -7 3 0 4.34 1.24 8 -3 0 82.7 4.94 -8 3 0 79.66 5.3 8 -3 0 82.94 5.61 8 3 0 74.39 4.98 -8 -3 0 67.52 2.83 9 -3 0 167.64 8.28 -9 -3 0 168.19 4.17 9 -3 0 176.86 7.42 9 3 0 183.92 8.13 10 -3 0 678.47 15.5 -10 -3 0 635.77 8.43 10 -3 0 653.31 17.38 10 3 0 694.77 17.13 11 -3 0 87.86 5.39 11 3 0 87.16 6.11 11 -3 0 85.74 6.42 12 -3 0 3.6 1.21 12 -3 0 4.52 1.64 12 3 0 6.28 2.06 13 -3 0 32.75 4.24 13 -3 0 40.91 3.83 13 3 0 41.46 4.7 14 3 0 13.39 2.86 14 -3 0 9.29 2.21 14 -3 0 11.62 2.84 15 3 0 11.58 2.65 15 -3 0 13.64 3.25 15 -3 0 12.41 2.26 16 3 0 96.64 7.69 16 -3 0 82.25 7.53 16 -3 0 85.48 5.86 17 -3 0 19.38 3 17 3 0 18.56 3.66 17 -3 0 19.79 3.58 18 3 0 18.59 3.81 18 -3 0 16.52 2.54 18 -3 0 17.84 3.97 19 -3 0 0.23 1.78 19 -3 0 2.01 1.19 19 3 0 0.99 2.12 20 -3 0 60.24 7.39 20 3 0 59.24 6.85 21 3 0 69.5 7.69 21 -3 0 76.49 8.29 22 -3 0 0.44 2.19 22 3 0 2.06 2.04 23 3 0 -1 2.31 23 -3 0 3.45 2.62 24 3 0 6.75 3.57 24 -3 0 2.39 2.46 0 4 0 18.14 2.4 0 -4 0 19.7 2.59 1 4 0 23.62 2.61 1 -4 0 28.03 3.4 -1 4 0 23.94 2.65 -1 -4 0 23.64 2.64 -2 -4 0 37.99 3.24 -2 4 0 34.85 3.16 2 -4 0 41.48 3.58 2 4 0 38.47 3.32 -3 4 0 3.45 1.27 -3 -4 0 3.56 1.19 3 4 0 3.55 1.09 3 -4 0 3.85 1.45 -4 -4 0 31.93 2.81 4 -4 0 32.57 3.4 4 4 0 35.99 3.3 -4 4 0 29.43 3.06 5 4 0 4.96 1.59 -5 4 0 2.86 1.21 -5 -4 0 4.38 1.25 5 -4 0 6.3 2.13 6 -4 0 413.37 12.22 -6 -4 0 400.23 9.77 6 4 0 403.9 11.86 -6 4 0 399.99 11.95 7 -4 0 44.06 3.95 -7 -4 0 41.08 2.92 7 4 0 44.45 4.01 -7 4 0 45.54 4.16 8 -4 0 3.32 1.38 -8 -4 0 1.19 0.78 -8 4 0 0.43 1.17 8 4 0 2.16 1.27 -9 4 0 98.04 6.4 -9 -4 0 83.68 3.84 9 -4 0 91.75 5.93 9 4 0 94.54 6.17 -10 -4 0 208.28 5.85 -10 4 0 222.16 10 10 4 0 219.11 9.84 10 -4 0 217.95 9.38 10 -4 0 215.12 10.31 -11 -4 0 394.71 7.81 -11 4 0 433.12 14.63 11 4 0 430.45 14.37 11 -4 0 440.8 13.6 11 -4 0 428.38 15.08 12 -4 0 2.38 1.87 -12 4 0 4.04 1.67 12 4 0 5.43 1.94 12 -4 0 3.81 1.61 13 -4 0 5.9 2.06 13 4 0 8.28 2.49 13 -4 0 10.77 2.32 -13 4 0 8.66 2.39 14 4 0 295.68 13.05 14 -4 0 283.53 13.36 14 -4 0 293.3 11.63 15 -4 0 20.42 3.39 15 -4 0 18.52 4.13 15 4 0 19.45 3.91 16 -4 0 268.34 13.85 16 4 0 292.26 13.8 16 -4 0 289.61 11.89 17 4 0 118.97 9.08 17 -4 0 108.31 7.28 17 -4 0 95.89 8.49 18 -4 0 165.38 11.48 18 4 0 164.97 11.04 18 -4 0 165.99 9.17 19 4 0 273.75 14.57 19 -4 0 259.81 11.57 19 -4 0 266.67 15.08 20 4 0 132.31 10.49 20 -4 0 120.36 8 20 -4 0 112.23 10.13 21 -4 0 39.33 6.21 21 4 0 50.1 6.85 22 -4 0 4.52 2.48 22 4 0 2.83 1.91 23 -4 0 20.55 5.07 23 4 0 18.85 4.64 0 5 0 -2.66 1.58 0 -5 0 -1.8 1.21 1 -5 0 5.39 1.23 1 5 0 7.3 1.84 -1 5 0 7.21 1.52 -1 -5 0 9.31 2 2 -5 0 133.94 7.11 2 5 0 135.55 6.89 -2 -5 0 123.31 6.49 -2 5 0 130.16 6.83 -3 -5 0 1143.19 21.24 3 -5 0 1178.37 23.15 -3 5 0 1147.26 22.29 3 5 0 1181.96 22.34 4 -5 0 318.45 11.42 -4 -5 0 311 10.06 -4 5 0 308.2 11 4 5 0 309.6 10.85 5 5 0 34.35 3.67 -5 -5 0 30.91 3.11 -5 5 0 31.78 3.75 5 -5 0 33.76 3.75 6 5 0 3.94 1.78 -6 -5 0 3.17 1.24 6 -5 0 7.2 2.05 -6 5 0 5.96 2.09 -7 -5 0 1.15 0.76 7 5 0 3.52 1.61 -7 5 0 2.75 1.67 7 -5 0 -0.84 1.43 -8 5 0 15.83 2.75 8 5 0 13.52 2.65 -8 -5 0 11.41 1.88 8 -5 0 13.03 2.6 -9 -5 0 1.27 0.95 9 5 0 3.21 1.63 -9 5 0 -0.4 1.23 9 -5 0 2.43 1.21 10 5 0 67.35 5.74 -10 -5 0 65.05 3.93 10 -5 0 72.15 5.79 -10 5 0 77.64 6.22 -11 -5 0 158.16 5.83 11 -5 0 181.16 9.37 11 5 0 181.65 9.68 -11 5 0 180.17 9.74 12 -5 0 358.17 13.43 12 5 0 365.26 14.19 -12 -5 0 317.18 8.08 -12 5 0 366.4 14.44 -13 5 0 8.81 2.83 13 5 0 11.43 3.18 13 -5 0 11.87 2.81 -14 5 0 88.91 7.46 14 -5 0 76.55 6.36 14 5 0 79.87 7.08 15 -5 0 55.63 5.57 15 -5 0 55.92 6.5 15 5 0 62.53 6.4 -15 5 0 58.16 6.24 16 5 0 1.29 1.62 16 -5 0 4.75 2.67 16 -5 0 -0.32 1.72 -16 5 0 -0.27 2.11 17 -5 0 146.36 9.31 17 -5 0 133.8 10.47 -17 5 0 136.32 10.21 17 5 0 157.27 10.72 -18 5 0 4.16 2.81 18 5 0 4.66 2.58 18 -5 0 3.9 2.03 18 -5 0 3.72 2.45 -19 5 0 0.99 1.87 19 -5 0 3.49 2.47 19 -5 0 2.39 1.63 19 5 0 4.52 2.42 20 -5 0 16.25 4.4 -20 5 0 13.35 3.65 20 5 0 14.71 3.76 20 -5 0 18.59 3.85 21 -5 0 4.01 2.31 21 5 0 4.16 3.04 21 -5 0 4.04 3.07 -21 5 0 7.01 3.35 -22 5 0 26.31 5.32 22 5 0 30.74 5.64 22 -5 0 28.52 5.85 0 -6 0 156.03 8.2 0 6 0 153.45 8.08 -1 -6 0 516.12 15.16 -1 6 0 490.36 14.81 1 6 0 511.87 15.07 1 -6 0 512.19 15.46 -2 6 0 4.35 1.49 2 6 0 5.67 1.56 -2 -6 0 10.38 2.27 2 -6 0 6.85 2.07 3 6 0 35.71 3.9 3 -6 0 34.82 4.02 -3 -6 0 31.84 3.69 -3 6 0 30.24 3.77 4 -6 0 152.74 8.52 -4 -6 0 143.83 7.54 4 6 0 149.24 8.06 -4 6 0 143.58 8.05 5 -6 0 172.46 9.07 -5 6 0 160.45 8.6 -5 -6 0 158.61 7.83 5 6 0 156.59 8.4 -6 6 0 93.93 6.85 6 -6 0 88.01 6.67 6 6 0 98.52 6.71 -6 -6 0 92.88 5.9 7 6 0 27.02 3.7 -7 6 0 31.14 4.26 7 -6 0 31.4 4.09 -7 -6 0 23.72 2.93 8 -6 0 45.57 4.84 -8 -6 0 47.39 4.08 -8 6 0 47.48 5.04 8 6 0 54.18 5.2 9 6 0 9.3 2.41 9 -6 0 4.07 1.82 -9 -6 0 7.61 1.86 -9 6 0 6.16 2.29 10 6 0 4.18 2.14 -10 6 0 3.05 1.74 -10 -6 0 0.37 0.97 10 -6 0 0.03 1.77 -11 -6 0 281.13 9.27 -11 6 0 311.52 13.64 11 -6 0 307.76 13.27 11 6 0 314.06 13.47 -12 -6 0 124.08 5.87 -12 6 0 143.05 9.42 12 -6 0 145.31 9.25 12 6 0 142.61 9.29 13 6 0 8.06 2.48 13 -6 0 7.86 2.61 -13 6 0 4.39 2.15 14 6 0 13.19 3.07 14 -6 0 13.47 3.15 -14 6 0 15.71 3.64 15 -6 0 5.99 2.35 15 6 0 16.14 3.58 -15 6 0 7.59 2.89 16 6 0 2.99 2.16 16 -6 0 3.61 2.1 -16 6 0 7.13 2.66 -17 6 0 4.62 2.61 17 -6 0 11.97 3.19 17 6 0 11.64 3.42 18 -6 0 14.12 3.37 18 6 0 12.88 3.63 -18 6 0 16.83 4.1 19 6 0 -1.17 1.79 -19 6 0 -0.8 1.98 19 -6 0 -0.62 1.72 -20 6 0 50.28 6.97 20 -6 0 42.46 5.69 20 6 0 50.65 6.96 21 -6 0 1.53 2.4 21 6 0 4 3.16 -21 6 0 2.15 2.32 0 -7 0 -0.83 1.22 0 7 0 -2.98 1.74 1 7 0 -0.87 1.5 -1 -7 0 -1.03 1.56 -1 7 0 4.23 1.83 1 -7 0 1.12 1.39 2 -7 0 17.88 3.14 -2 7 0 13.67 2.65 -2 -7 0 21.03 3.37 2 7 0 19.64 3.28 3 7 0 10.66 2.58 -3 7 0 10.01 2.4 -3 -7 0 15.19 2.93 3 -7 0 14.72 2.95 4 7 0 0.11 1.14 -4 -7 0 -0.73 1.05 4 -7 0 -0.52 1.53 -4 7 0 4.29 1.81 -5 -7 0 14.06 2.79 -5 7 0 9.26 2.45 5 -7 0 9.45 2.61 5 7 0 11.86 2.75 6 7 0 9.14 2.42 -6 7 0 7.39 2.37 6 -7 0 10.43 2.86 -6 -7 0 10.01 2.42 7 -7 0 163.72 9.84 -7 -7 0 164.12 8.55 -7 7 0 166.61 9.85 -8 -7 0 84.01 5.94 8 -7 0 84.14 7.22 -8 7 0 91.53 7.4 9 -7 0 16.67 3.38 -9 7 0 19.65 3.81 9 7 0 24.63 4.04 -9 -7 0 19.33 2.9 10 7 0 119.98 8.61 10 -7 0 121.57 8.78 -10 7 0 125.47 9.02 -10 -7 0 112.11 6.66 -11 7 0 8.07 2.74 11 -7 0 6.2 2.48 11 7 0 2.19 1.55 -11 -7 0 4.51 1.56 -12 -7 0 3.08 1.41 12 7 0 3.57 1.6 -12 7 0 5.39 2.55 12 -7 0 4.73 1.88 -13 7 0 19.32 3.83 13 -7 0 18.9 3.89 13 7 0 19.84 4.03 14 -7 0 89.99 8.06 14 7 0 81.74 7.77 -14 7 0 75.55 7.58 -15 7 0 2.06 2.1 15 -7 0 -3.17 2.43 15 7 0 -0.67 1.63 -16 7 0 -0.67 2.23 16 7 0 1.02 1.9 16 -7 0 2.8 2.58 17 7 0 26.23 4.95 17 -7 0 29.64 4.87 -17 7 0 32.88 5.56 18 7 0 9.15 3.21 -18 7 0 7.79 3.07 18 -7 0 3.99 2.22 -19 7 0 13.17 3.9 19 -7 0 9.5 3.47 19 7 0 8.32 3.31 20 7 0 56.78 7.72 -20 7 0 56.41 7.9 20 -7 0 53.19 6.78 0 8 0 99.73 7.72 0 -8 0 100.67 7.82 1 -8 0 77.05 6.97 1 8 0 83.15 7.04 -1 8 0 82.8 6.98 -1 -8 0 76 6.67 -2 8 0 53.12 5.68 -2 -8 0 56.58 5.85 2 -8 0 61.4 6.26 2 8 0 56.1 5.71 3 -8 0 141.16 9.53 3 8 0 139.31 9.05 -3 8 0 152.43 9.5 -3 -8 0 139.68 8.96 4 8 0 99.94 7.8 -4 8 0 83.73 7.35 -4 -8 0 83.66 6.89 4 -8 0 86.36 7.54 -5 -8 0 226.28 11.22 5 -8 0 252.05 12.91 -5 8 0 263.41 12.99 5 8 0 250.19 12.43 -6 -8 0 418.17 15.15 6 -8 0 445.71 17.5 6 8 0 407.75 16.12 -6 8 0 421.25 16.62 7 -8 0 183.15 11.21 -7 8 0 173.85 10.74 -7 -8 0 178.56 9.63 7 8 0 182.01 10.73 8 -8 0 162.67 10.83 -8 8 0 168.11 10.82 8 8 0 168.32 10.4 -8 -8 0 158.9 8.99 -9 8 0 67.64 7.01 9 -8 0 70.73 7.19 -9 -8 0 71.65 6.02 9 8 0 74.23 7.1 -10 8 0 5.2 2.34 10 8 0 9.4 3.02 -10 -8 0 3.86 1.9 10 -8 0 2.25 2.15 -11 -8 0 151.05 8.36 -11 8 0 178.19 11.83 11 -8 0 176.11 11.52 11 8 0 168.5 11.02 -12 -8 0 3.55 1.66 12 8 0 3.66 1.95 12 -8 0 7.8 3.16 -12 8 0 4.47 2.4 -13 8 0 173.21 11.98 13 8 0 173.2 11.62 13 -8 0 166.49 11.46 14 -8 0 12.78 3.58 14 8 0 12.18 3.72 -14 8 0 13.73 3.73 15 -8 0 8.7 3.16 -15 8 0 10.17 3.47 15 8 0 6.83 3.01 16 8 0 0.51 2.31 16 -8 0 1.23 2.65 -16 8 0 -2.61 2.68 -17 8 0 9.95 3.83 17 -8 0 12.54 3.67 17 8 0 10.57 3.88 18 -8 0 6.17 2.8 18 8 0 17.57 5 -18 8 0 11.57 3.83 0 9 0 -5.8 2.86 0 -9 0 -0.02 1.7 1 -9 0 247.4 13.24 1 9 0 234.31 12.75 -1 -9 0 225.31 12.38 -1 9 0 244.58 13.13 -2 9 0 132.17 9.66 2 -9 0 127.12 9.67 -2 -9 0 134.75 9.46 2 9 0 131.51 9.54 -3 9 0 5.84 2.18 -3 -9 0 5.64 2.06 3 -9 0 4.31 2.38 3 9 0 3.18 1.79 4 9 0 12.86 3.28 -4 9 0 6.22 2.21 -4 -9 0 9.97 2.84 4 -9 0 8.82 2.59 5 9 0 -0.58 1.75 -5 9 0 -0.07 1.83 -5 -9 0 -4.92 2.81 5 -9 0 -1.25 2.42 6 9 0 9.68 3.08 -6 -9 0 6.4 2.61 -6 9 0 7.93 3.11 6 -9 0 3.64 2.17 -7 9 0 1.29 2.01 -7 -9 0 -0.96 1.74 7 9 0 -2.1 2.06 7 -9 0 -1.06 2.3 -8 9 0 119.36 9.68 -8 -9 0 107.47 8.08 8 -9 0 114.69 9.64 8 9 0 105.82 8.87 -9 9 0 36.01 5.55 -9 -9 0 34.29 4.56 9 9 0 48.64 6.16 9 -9 0 49.71 6.48 10 -9 0 4.19 2.47 -10 9 0 3.38 2.63 -10 -9 0 0.78 1.35 10 9 0 2.48 2.29 11 9 0 48.39 6.34 11 -9 0 36.61 5.76 -11 9 0 40.58 6 -11 -9 0 36.39 4.7 12 9 0 7.5 3.3 12 -9 0 5.95 3.15 -12 9 0 4.14 2.47 13 9 0 97.64 9.15 -13 9 0 97.62 9.43 13 -9 0 92.78 9.18 14 -9 0 4.14 2.86 14 9 0 5.23 2.64 -14 9 0 0.85 2.49 15 9 0 91.37 9.18 15 -9 0 83.5 9.02 -15 9 0 86.73 9.28 16 -9 0 24.92 5.19 -16 9 0 22.07 5.3 16 9 0 19.17 4.76 0 10 0 16.17 3.71 0 -10 0 22.96 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5.46 19 3 4 37.78 5.79 19 -3 4 36.57 5.62 20 -3 4 3.58 2.66 20 3 4 3.45 2.41 21 3 4 4.92 2.89 21 -3 4 8.84 3.14 22 3 4 4.88 3 22 -3 4 1.24 2.32 23 4 -4 4 2.89 23 -4 -4 2.01 3.11 -23 4 4 0.82 2.59 22 -4 -4 8.7 2.86 22 -4 -4 5 2.84 -22 4 4 11.37 4 22 4 -4 7.33 3.06 21 4 -4 -1.61 1.9 -21 4 4 -2.84 2.62 21 -4 -4 3.07 2.02 21 -4 -4 0.45 2 20 4 -4 8.5 3.19 20 -4 -4 5.45 2.42 -20 4 4 6.31 2.72 20 -4 -4 4.28 2.66 19 -4 -4 135.47 10.78 -19 4 4 139.98 10.28 19 -4 -4 119.6 8.1 19 4 -4 139.51 9.92 -18 4 4 97.71 8.25 18 -4 -4 75.8 6.69 18 -4 -4 87.8 8.32 18 4 -4 91.67 7.81 -17 4 4 -0.4 1.52 17 4 -4 2.27 1.59 17 -4 -4 1.65 1.8 17 -4 -4 0.93 1.49 16 -4 -4 590.63 17.98 -16 4 4 594.88 19.84 16 4 -4 583.13 18.85 -15 4 4 358.11 14.91 15 -4 -4 355.85 13.55 15 4 -4 359.99 14.2 15 -4 -4 333.66 15.21 -15 -4 4 308.6 8.59 14 -4 -4 71.28 5.94 -14 4 4 73.03 6.57 14 -4 -4 70.29 6.87 -14 -4 4 66.3 3.98 14 4 -4 70.22 5.99 -13 4 4 105.09 7.58 13 4 -4 115 7.41 13 -4 -4 108.93 7.2 -13 -4 4 106.11 5.11 12 -4 -4 193 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35.4 5.34 17 4 4 36.71 5.5 17 -4 4 35.58 4.28 18 -4 4 16.23 3.22 18 -4 4 17.54 4.21 18 4 4 19.84 4.19 19 4 4 17.01 3.94 19 -4 4 19.63 4.66 19 -4 4 13.62 3.05 20 4 4 49.52 6.71 20 -4 4 52.93 7.13 21 4 4 11.85 3.86 21 -4 4 7.44 3.18 23 5 -4 29.41 5.45 -23 5 4 34.61 6.12 22 5 -4 9.27 3.49 22 -5 -4 8.49 2.89 -22 5 4 12.41 4.17 21 5 -4 6.78 3.23 21 -5 -4 4.49 2.29 -21 5 4 6.28 2.97 20 5 -4 17.52 4.16 -20 5 4 17.88 4.21 20 -5 -4 12.43 3.14 19 5 -4 8.11 3.17 19 -5 -4 1.63 2.02 -19 5 4 8.33 2.81 18 -5 -4 13.68 3.37 -18 5 4 11.46 3.34 18 5 -4 12.05 3.34 17 5 -4 15.01 3.46 -17 5 4 11.46 3.52 17 -5 -4 12.53 2.78 16 5 -4 104.22 8.07 16 -5 -4 94.49 7.55 -16 5 4 101.68 8.56 -15 5 4 43.83 5.61 15 5 -4 42.51 5.12 15 -5 -4 44.32 5.14 -14 -5 4 31.72 3.05 14 -5 -4 44.06 5.05 14 5 -4 38.02 4.46 -14 5 4 38.92 5.02 13 5 -4 79.81 6.4 -13 -5 4 78.64 4.84 13 -5 -4 87.26 6.94 -13 5 4 91.46 7.39 -12 -5 4 0.24 0.95 -12 5 4 -0.54 1.45 12 5 -4 1.42 1.34 12 -5 -4 0.77 1.14 -11 5 4 3.26 1.93 11 -5 -4 1.32 1.13 11 5 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4 5.49 2.35 18 6 4 7.74 3.44 -18 6 -4 10.24 3.45 18 -6 4 7.46 3.07 -19 6 -4 21.18 4.89 19 6 4 16.16 4.56 19 -6 4 19.02 3.93 20 7 -4 32.46 5.7 -20 7 4 32.71 5.71 20 -7 -4 33.67 5.74 19 7 -4 3.25 2.46 -19 7 4 5.16 3.07 19 -7 -4 6.12 2.96 18 7 -4 3.5 2.36 -18 7 4 5.31 3.24 18 -7 -4 7.43 3.21 17 -7 -4 30.95 5.04 -17 7 4 27.63 5.08 17 7 -4 25.62 4.59 -16 7 4 27 4.96 16 7 -4 26.08 4.65 16 -7 -4 28.38 4.82 -15 7 4 5.87 2.66 15 7 -4 1.76 1.73 15 -7 -4 0.59 2.08 14 7 -4 16.72 3.63 14 -7 -4 13.24 3.39 -14 7 4 16.6 4.21 -14 -7 4 3.3 1.57 13 7 -4 90.35 7.48 13 -7 -4 79.5 7.54 -13 -7 4 78.76 5.98 -13 7 4 81.96 7.99 12 -7 -4 194.02 11.68 -12 7 4 180.65 11.56 -12 -7 4 178.7 9.13 11 7 -4 1.02 1.3 -11 7 4 3.56 1.9 -11 -7 4 2.68 1.68 11 -7 -4 6 2.75 10 -7 -4 88.39 7.7 -10 -7 4 88.36 6.59 -10 7 4 85.51 7.96 -9 -7 4 21.62 3.54 -9 7 4 19.62 3.79 9 7 -4 26.16 3.88 9 -7 -4 26.5 4.43 8 7 -4 0.18 1.19 -8 7 4 -0.21 1.43 8 -7 -4 -2.46 2.01 -8 -7 4 -0.32 1.24 7 -7 -4 279.3 13.25 -7 7 4 277.42 13.17 -7 -7 4 263.95 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5 77.99 7.25 8 -7 -5 94.22 7.83 -8 -7 5 91.09 6.97 -7 7 5 9.04 2.74 -7 -7 5 9.52 2.93 7 7 -5 6.67 1.77 7 -7 -5 8.72 2.52 6 -7 -5 186.91 10.77 -6 7 5 190.92 10.77 -6 -7 5 189.35 10.11 -5 -7 5 16.12 3.19 5 -7 -5 17.95 3.32 -5 7 5 18.19 3.36 5 7 -5 20.26 3.11 -4 -7 5 19.71 3.55 4 7 -5 14.22 2.66 -4 7 5 12.93 2.98 4 -7 -5 23.63 4.13 3 7 -5 -1.24 1.43 -3 7 5 -1.08 1.51 3 -7 -5 -0.3 1.31 -3 -7 5 0.76 1.25 2 -7 -5 101.17 7.61 2 7 -5 86.22 6.17 -2 7 5 91.53 7.38 -2 -7 5 89.72 7.21 -1 -7 5 125.99 8.57 1 7 -5 120.11 7.34 -1 7 5 120.9 8.51 1 -7 -5 114.93 8.03 0 -7 5 65.53 6.24 0 7 5 60.67 5.88 0 7 -5 65.77 5.42 0 -7 -5 67.54 6.02 1 7 5 82.51 6.92 -1 -7 -5 88.67 6.86 -1 7 -5 78.61 5.97 1 -7 5 85.34 7.15 2 7 5 94.49 7.41 -2 -7 -5 86.02 6.73 2 -7 5 93.79 7.48 -2 7 -5 93.51 6.6 -3 7 -5 71.15 5.87 -3 -7 -5 59.66 5.57 3 -7 5 69.9 6.72 3 7 5 73.5 6.63 4 -7 5 8.86 2.73 -4 -7 -5 12.86 2.81 -4 7 -5 10.83 2.62 4 7 5 11.2 3.01 -5 7 -5 22.46 3.57 5 -7 5 26.37 4.33 -5 -7 -5 23.88 3.51 5 7 5 26.16 4.31 6 -7 5 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7.74 4 2 7 205.71 7.51 4 -2 7 192.49 6.62 5 2 7 507.07 13.24 5 2 7 504.36 11.97 5 -2 7 493.07 11.74 5 -2 7 511.95 13.46 6 2 7 199.5 8.37 6 2 7 194.54 7.08 6 -2 7 205.73 7.76 6 -2 7 198.67 8.24 7 -2 7 385.59 11.71 7 2 7 366.31 9.83 7 -2 7 363.06 11.11 7 2 7 375.54 12.12 8 -2 7 47.61 4 8 2 7 44.69 3.31 8 2 7 48.85 4.44 8 -2 7 43.36 4.01 9 2 7 87 4.51 9 -2 7 87.96 5.95 9 2 7 94.53 6.48 9 -2 7 94.71 5.73 10 -2 7 0.6 1 10 2 7 2.87 1.45 10 2 7 0.76 0.83 10 -2 7 0.82 1.22 11 2 7 88.64 4.26 11 -2 7 103.47 6.94 11 2 7 100.05 7.14 11 -2 7 108.69 6.22 12 -2 7 2.63 1.41 12 2 7 4.7 2.1 12 -2 7 4.49 2.16 13 2 7 68.79 6.38 13 -2 7 64.46 5.98 13 -2 7 69.25 5.04 14 -2 7 2.93 1.58 14 2 7 3.41 2.01 14 -2 7 1.27 1.36 15 -2 7 4.16 1.52 15 2 7 7.21 2.29 15 -2 7 6.48 2.37 16 -2 7 14.31 2.62 16 2 7 17.08 3.71 16 -2 7 15.57 3.41 17 2 7 69.94 7.25 17 -2 7 71.12 7.29 18 2 7 0.68 1.86 18 -2 7 1.47 2.29 19 2 7 21.69 4.38 19 -2 7 21.88 4.34 20 2 7 26.71 5.29 20 -2 7 21.28 4.51 21 2 7 -0.58 2.15 21 -2 7 -3.23 3.12 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4 -8 11.77 2.5 14 -4 -8 13.42 3.17 -14 -4 8 10.1 2.45 -14 4 8 13.13 2.99 -13 -4 8 102.17 6.77 13 -4 -8 93.51 7.43 -13 4 8 96.52 7.31 13 4 -8 93.76 6.16 12 4 -8 30.08 3.45 -12 -4 8 29.9 3.74 -12 4 8 29.22 4.15 12 -4 -8 32.78 4.33 -11 -4 8 81.82 5.87 11 -4 -8 90.41 7.03 -11 4 8 74.83 6.17 11 4 -8 77.58 5.23 -10 -4 8 402.07 13.55 -10 4 8 417.95 14.32 10 -4 -8 422.45 15.31 10 4 -8 407.77 11.66 -9 -4 8 187.94 9.04 -9 4 8 214.25 9.93 9 -4 -8 213.66 10.69 9 4 -8 189.19 7.38 -8 -4 8 29.6 3.79 8 4 -8 27.66 2.68 -8 4 8 23.65 3.32 8 -4 -8 25.31 3.85 -7 -4 8 3.69 1.71 -7 4 8 4.66 1.77 7 4 -8 2.79 1.02 7 -4 -8 2.59 1.23 -6 4 8 17.21 2.75 -6 -4 8 19.74 2.92 6 4 -8 12.04 1.66 6 -4 -8 20.82 3.4 -5 -4 8 555.46 16.08 5 -4 -8 541.7 16.63 -5 4 8 557.87 15.21 -4 -4 8 98.64 6.56 -4 4 8 94.04 6.1 -3 -4 8 26.86 3.58 -3 4 8 17.77 2.59 3 -4 -8 24.89 3.53 3 4 -8 17.45 1.77 -2 -4 8 45.67 4.6 -2 4 8 46.79 4.24 2 4 -8 43.8 2.77 2 -4 -8 52.43 4.86 -1 -4 8 57.58 5.14 -1 4 8 60.66 4.79 1 -4 -8 59.16 5.15 1 4 -8 59.92 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51.34 4.85 -3 5 -8 51.68 4.01 3 5 8 50.96 5.04 4 -5 8 53.75 5.46 -4 -5 -8 45.49 4.53 -4 5 -8 44.73 4.03 4 5 8 52.81 5.15 -5 5 -8 37.34 3.76 5 -5 8 38.79 4.61 5 5 8 46.67 5.08 -5 -5 -8 41.42 4.26 6 5 8 73.29 6.34 -6 -5 -8 73.52 5.57 -6 5 -8 79.08 5.45 6 -5 8 81.74 6.69 7 -5 8 -0.68 1.76 7 5 8 0.49 1.5 -7 5 -8 1.13 1.33 -7 -5 -8 0.14 1.29 8 -5 8 31.36 4.27 -8 -5 -8 30.38 3.53 8 5 8 27.19 4.08 -8 5 -8 29.39 3.82 9 5 8 188.44 10.81 9 5 8 167.37 7.54 9 -5 8 185.86 10.38 -9 5 -8 182.03 9.35 10 -5 8 28.71 4.2 -10 5 -8 26.8 3.93 10 5 8 28.51 4.33 10 5 8 25.18 2.92 11 -5 8 2.78 2.15 11 5 8 -0.39 1.51 -11 5 -8 0.73 1.47 12 -5 8 9.89 2.87 12 5 8 5.36 2.06 12 -5 8 3.79 1.71 -12 5 -8 6.48 2.25 13 -5 8 40.96 5.24 -13 5 -8 37.87 5.01 13 5 8 40.4 5.62 13 -5 8 35.38 5.07 14 -5 8 6.21 2.77 14 -5 8 3.1 2.58 14 5 8 0.06 1.86 -14 5 -8 4.33 2.29 15 -5 8 18.27 3.65 15 5 8 17.3 4.18 15 -5 8 21.99 4.24 -15 5 -8 13.03 3.54 -16 5 -8 62.72 7.08 16 5 8 58.26 7.25 16 -5 8 52.77 6.65 16 -5 8 59.17 6.29 17 5 8 13.54 3.9 -17 5 -8 15.3 4.15 17 -5 8 10.24 3.28 17 -5 8 12.23 3.39 18 5 8 29.33 5.63 18 -5 8 23.07 4.96 -18 5 -8 25.56 4.93 21 6 -8 3.84 2.44 21 -6 -8 -1.71 2.51 -21 6 8 6.8 3.37 20 6 -8 3.1 2 -20 6 8 5.1 2.57 20 -6 -8 8.99 3.73 19 6 -8 57.03 6.33 19 -6 -8 58.25 7.22 -19 6 8 67.11 7.9 18 6 -8 22.51 4.15 -18 6 8 25.14 5.11 18 -6 -8 22.26 4.39 -17 6 8 172.78 11.83 17 -6 -8 171.82 11.61 17 6 -8 169.2 10.53 -17 -6 8 149.89 8.68 -16 6 8 68.03 7.43 -16 -6 8 57.97 5.43 16 6 -8 70.02 6.61 16 -6 -8 69.37 7.41 -15 -6 8 4.78 2.04 15 6 -8 1.19 1.69 15 -6 -8 0.46 1.87 -15 6 8 1.64 1.64 -14 -6 8 8.03 2.54 14 6 -8 8.78 2.4 14 -6 -8 9.55 3.13 -14 6 8 7.62 2.89 -13 -6 8 1.51 1.35 13 6 -8 5.09 2.05 -13 6 8 1.98 2.19 13 -6 -8 4.58 2.28 -12 -6 8 39.23 4.57 12 6 -8 29.9 3.87 -12 6 8 45.24 5.86 12 -6 -8 41.5 5.51 -11 -6 8 26.15 3.87 11 6 -8 22.73 3.35 -11 6 8 35.22 5.06 11 -6 -8 32.3 4.69 10 6 -8 238.7 10.17 -10 6 8 311.17 14.1 10 -6 -8 317.75 14.53 -10 -6 8 298.11 12.64 9 6 -8 125.41 7.09 -9 6 8 169.61 10.27 9 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14.91 2.86 7 4 -9 11.63 1.65 7 -4 -9 11.52 2.85 -6 -4 9 5.06 1.81 6 4 -9 5.96 1.18 6 -4 -9 6.85 2.18 -6 4 9 10.74 2.46 -5 -4 9 68.78 5.79 5 -4 -9 57.98 5.55 -5 4 9 66.32 5.07 4 -4 -9 32.19 4.25 -4 -4 9 27.61 3.65 -4 4 9 23.81 3.06 4 4 -9 22.24 1.89 -3 -4 9 58.81 5.28 3 -4 -9 62.1 5.64 -3 4 9 60.71 4.8 2 4 -9 4.94 1.15 -2 -4 9 3.36 1.35 -2 4 9 5.44 1.56 2 -4 -9 2.12 1.26 -1 4 9 37.9 3.89 -1 -4 9 40.24 4.47 1 4 -9 31.9 2.34 1 -4 -9 32.01 3.94 0 -4 9 228.72 10.56 0 4 9 238.44 9.75 0 -4 -9 236.7 10.66 0 4 -9 228.61 6.54 -1 4 -9 2.43 1.05 1 -4 9 3.79 1.83 -1 -4 -9 6.3 2.24 1 4 9 1.54 0.97 2 -4 9 98.37 6.96 -2 4 -9 75.95 4.19 2 4 9 100.92 6.47 -2 -4 -9 85.76 6.29 3 -4 9 26.84 3.88 -3 -4 -9 18.9 3.2 3 4 9 16.87 2.81 -3 4 -9 17.05 2.12 4 4 9 89.27 6.34 -4 4 -9 89.81 5.01 4 -4 9 92.18 6.79 5 -4 9 6.55 2.09 5 4 9 5.79 2.01 -5 -4 -9 7.15 1.97 -5 4 -9 8.88 1.92 6 4 9 85.42 6.53 6 4 9 69.46 5.06 6 -4 9 76.65 6.24 -6 4 -9 73.59 5.05 7 -4 9 7.32 2.22 7 4 9 6.55 1.73 7 4 9 5.44 1.98 -7 4 -9 6.2 1.85 8 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1.96 -17 5 9 4.36 2.76 17 -5 -9 4.59 2.19 -16 -5 9 72.6 6.24 16 5 -9 70.38 6.22 -16 5 9 76.93 7.55 16 -5 -9 67.48 6.92 -15 5 9 0.48 1.68 15 5 -9 1.73 1.81 -15 -5 9 0.82 1.65 15 -5 -9 1.18 1.6 14 5 -9 13.23 2.67 -14 -5 9 14.78 3 14 -5 -9 16.27 3.66 -14 5 9 10.49 3.02 -13 -5 9 153.04 9.03 -13 5 9 170.78 10.53 13 -5 -9 178.6 11.06 13 5 -9 167.89 8.57 -12 -5 9 41.28 4.82 12 5 -9 39.04 3.99 12 -5 -9 42.47 5.47 -12 5 9 49.34 5.7 -11 -5 9 92.38 6.93 -11 5 9 93.98 7.5 11 -5 -9 86.85 7.55 11 5 -9 87.3 5.71 -10 -5 9 118.91 7.94 -10 5 9 113.71 8.08 10 -5 -9 122.71 8.86 10 5 -9 113.95 6.22 -9 -5 9 17.49 3.28 -9 5 9 15.63 3.13 9 5 -9 16.98 2.33 9 -5 -9 20.11 3.66 8 5 -9 150.74 6.62 -8 -5 9 166.46 9.32 -8 5 9 168.25 9.38 8 -5 -9 160.47 9.96 -7 5 9 1.55 1.68 -7 -5 9 6.37 2.4 7 5 -9 0.07 0.83 7 -5 -9 2.52 2.13 6 -5 -9 49.05 5.35 -6 -5 9 41.82 4.73 6 5 -9 36.41 3.13 -6 5 9 41 4.5 -5 -5 9 2.4 1.77 -5 5 9 -1.23 1.55 5 5 -9 0.93 0.94 5 -5 -9 2.05 1.22 -4 -5 9 11.5 2.68 4 -5 -9 15.29 3.21 -4 5 9 13.4 2.72 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6 -9 81.23 6.36 -13 -6 9 83.42 6.9 -12 -6 9 52.28 5.56 12 6 -9 53.85 4.94 -12 6 9 50.75 6.03 12 -6 -9 59.23 6.71 -11 -6 9 1.92 2 11 6 -9 2.65 1.16 -11 6 9 1.98 1.48 11 -6 -9 1.25 1.46 -10 -6 9 40.07 4.88 -10 6 9 34.78 4.9 10 6 -9 35.4 3.77 10 -6 -9 37.78 5.18 -9 6 9 12.14 3.18 -9 -6 9 11.66 2.76 9 6 -9 9.17 2.03 9 -6 -9 10.33 3.16 -8 6 9 23.87 3.96 -8 -6 9 19.06 3.4 8 6 -9 14.37 2.4 8 -6 -9 20.03 4.05 7 -6 -9 321.88 14.62 -7 6 9 297.72 13.28 -7 -6 9 301.69 13.28 -6 -6 9 5.58 2.19 6 6 -9 2.2 1.22 6 -6 -9 0.13 1.54 -6 6 9 0.93 1.35 5 -6 -9 245.62 12.51 -5 6 9 253.37 12.08 -5 -6 9 245.77 12.08 -4 6 9 80.44 6.79 4 -6 -9 86.25 7.29 -4 -6 9 84.86 6.98 3 6 -9 32.35 3.24 -3 -6 9 36.94 4.73 -3 6 9 34.02 4.42 3 -6 -9 36.06 4.83 -2 -6 9 62.65 6.14 -2 6 9 62.26 6 2 6 -9 55.01 4.16 2 -6 -9 54.95 5.8 -1 -6 9 20.18 3.45 -1 6 9 23.92 3.83 1 6 -9 19.19 2.51 1 -6 -9 24.74 4.05 0 6 9 43.05 5.03 0 -6 9 45.52 5.42 0 6 -9 40.67 3.79 0 -6 -9 48.19 5.38 1 6 9 65.29 6.11 1 -6 9 62.11 6.22 -1 6 -9 54.36 4.23 -1 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6 -4 14 87.44 8.13 6 4 14 81.77 6.93 7 -4 14 29.77 4.97 7 4 14 22.82 4.05 7 4 14 30.74 4.46 8 -4 14 32.79 5.04 8 4 14 42.13 5.42 8 4 14 36.53 4.76 9 -4 14 23.81 4.49 9 4 14 17.68 3.81 9 4 14 20.76 3.8 10 -4 14 19.9 4.04 10 4 14 19.53 4.03 11 -4 14 2.55 2.13 11 4 14 7.84 2.77 12 -4 14 12.3 3.72 12 4 14 9.56 3.34 -18 -5 14 3.34 2.55 -18 5 14 5.23 2.57 18 -5 -14 3.02 2.92 -17 -5 14 8.72 3.05 -17 5 14 5.08 2.71 17 -5 -14 1.77 2.24 -16 -5 14 59.69 6.9 -16 5 14 52.55 6.39 16 -5 -14 54.09 7.2 -15 -5 14 172.78 11.62 -15 5 14 197.54 12.1 -14 5 14 26.22 4.52 -14 -5 14 25.08 4.75 14 -5 -14 29.16 5.41 -13 5 14 3.59 2.36 -13 -5 14 1.74 2.72 13 -5 -14 4.14 2.92 -12 -5 14 5.48 2.83 12 -5 -14 3.3 2.15 -12 5 14 10.19 2.9 -11 -5 14 80.13 7.87 11 -5 -14 79.39 8.66 -11 5 14 83.32 7.32 -10 -5 14 2.24 2.27 10 -5 -14 -0.42 1.98 -10 5 14 4.26 2.01 -9 -5 14 13.6 3.75 -9 5 14 18.08 3.59 9 -5 -14 11.12 3.45 -8 -5 14 16.2 3.63 -8 5 14 11.06 2.49 8 -5 -14 12.03 3.68 -7 -5 14 49.34 6.43 -7 5 14 46.98 5.19 7 -5 -14 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3.06 -11 6 17 -1.3 2.61 11 -6 -17 6.95 3.49 -10 -6 17 11.07 4.28 -10 6 17 4.02 2.62 10 -6 -17 6.4 3.47 -9 6 17 -2.82 2.54 9 -6 -17 1.29 2.19 -8 6 17 51.54 6.07 -8 -6 17 64.51 7.9 -8 6 17 53.95 7.34 8 -6 -17 59.72 8.47 -7 6 17 26.34 4.45 -7 -6 17 37.59 6.44 -7 6 17 30.56 5.71 7 -6 -17 33.1 6.22 -6 6 17 0.64 2.09 -6 -6 17 9.82 3.94 -6 6 17 4.89 2.71 6 -6 -17 6.05 2.96 -5 6 17 1.71 1.86 -5 -6 17 11.16 3.92 -5 6 17 12.9 3.82 5 -6 -17 4.37 3.09 -4 -6 17 41.41 6.77 -4 6 17 45.4 6.47 4 -6 -17 39.43 6.71 -4 6 17 41.71 5.52 -3 -6 17 5.48 3.38 -3 6 17 6.34 3.65 3 -6 -17 5.8 3.2 -3 6 17 0.77 2.2 -2 -6 17 16.17 4.61 -2 6 17 11.87 3.55 2 -6 -17 11.41 4.03 -2 6 17 3.7 2.49 -1 -6 17 41.85 6.61 -1 6 17 30 5.37 -1 6 17 27.62 4.64 0 -6 17 3.64 2.24 0 6 17 9.63 3.97 0 6 17 7.53 2.95 1 -6 17 4.33 2.61 1 6 17 -3.77 2.35 1 6 17 1.48 2.16 2 -6 17 48.34 6.88 2 6 17 47.89 6.65 2 6 17 40.98 5.66 -17 0 18 220.91 14.62 -16 0 18 90.36 9.55 -15 0 18 9.43 3.78 -14 0 18 255.74 15.53 -13 0 18 97.97 9.68 -12 0 18 8.7 3.34 -11 0 18 72.92 8.01 -10 0 18 2.38 2.28 -9 0 18 35.65 5.54 -8 0 18 155.98 11.77 -7 0 18 31.41 5.47 -6 0 18 2.86 2.32 -5 0 18 204.7 13.2 -4 0 18 33.93 5.77 -3 0 18 51.99 6.84 -2 0 18 44.39 6.33 -1 0 18 5.61 2.64 0 0 18 3.22 1.83 1 0 18 3.29 1.96 2 0 18 9.61 3.13 3 0 18 4.58 2.29 4 0 18 2.09 2.5 5 0 18 8.15 2.84 6 0 18 19.4 4.33 7 0 18 -2.38 2.42 -16 -1 18 10.02 3.61 -16 1 18 15.09 4.3 -15 -1 18 1.9 2.85 -15 1 18 2.1 2.22 -14 -1 18 -1.1 2.83 -14 1 18 4.57 2.73 -13 -1 18 15.01 4.27 -13 1 18 21.76 4.84 -12 -1 18 1.14 1.93 -12 1 18 5.08 2.74 -11 -1 18 6.8 2.94 -11 1 18 9.96 3.3 -10 -1 18 -4.79 3.13 -10 1 18 1.54 2.35 -9 -1 18 44.49 6.4 -9 1 18 44.36 6.3 -8 -1 18 12.26 3.64 -8 1 18 10.87 2.97 -7 -1 18 18.51 3.88 -7 1 18 21.76 4.62 -6 -1 18 48.42 6.49 -6 1 18 61.78 7.3 -5 -1 18 27.82 5.07 -5 1 18 23.56 4.57 -4 -1 18 39.47 5.99 -4 1 18 36.11 5.65 -3 -1 18 -1.7 2.74 -3 1 18 2.39 2.73 -2 -1 18 -3.2 2.24 -2 1 18 1.29 1.95 -1 -1 18 18.24 4.18 -1 1 18 23.37 4.68 0 -1 18 50.39 6.54 0 1 18 63.76 7.2 1 -1 18 40.56 6.08 1 1 18 37.83 5.6 2 -1 18 9.23 3.26 2 1 18 8.43 3.14 3 -1 18 5.89 2.63 3 1 18 7.18 3.09 4 -1 18 138.13 10.66 4 1 18 131.09 10.4 5 -1 18 0.67 2.26 5 1 18 3.37 2.64 6 -1 18 -0.36 2.49 6 1 18 -0.61 1.97 7 -1 18 4.95 2.71 7 1 18 11.81 3.55 -16 -2 18 3.22 3.08 -16 2 18 4.62 2.78 -15 -2 18 8.98 3.82 -15 2 18 11.07 3.56 -14 -2 18 7.68 3.75 -14 2 18 5.12 3.41 -13 -2 18 81.86 8.8 -13 2 18 67.3 8.13 -12 -2 18 1.89 2.03 -12 2 18 5.8 3.31 -11 -2 18 0.02 1.95 -11 2 18 3.4 2.38 -10 -2 18 12.24 3.59 -10 2 18 9.42 3.59 -9 -2 18 21.98 4.68 -9 2 18 18.65 4.11 -8 -2 18 1.38 1.99 -8 2 18 4.25 2.81 -7 -2 18 8.83 3.18 -7 2 18 6.9 2.92 -6 -2 18 45.95 6.78 -6 2 18 50.61 6.75 -5 -2 18 57.41 7.33 -5 2 18 48.99 6.54 -4 -2 18 3.41 3 -4 2 18 2.72 2.35 -3 -2 18 49.39 6.7 -3 2 18 36.06 5.52 -2 -2 18 26.04 5.18 -2 2 18 28.89 5.18 -1 -2 18 10.77 3.58 -1 2 18 -0.08 1.96 0 -2 18 -1 2.34 0 2 18 0.41 1.82 1 -2 18 5.96 3.21 1 2 18 8.93 3.3 2 -2 18 14.69 4.32 2 2 18 13.99 3.71 3 -2 18 -1.5 2.14 3 2 18 -3.29 2.77 4 -2 18 37.03 5.81 4 2 18 30.58 5.03 5 -2 18 8.78 3.17 5 2 18 9.13 3.17 6 -2 18 3.53 2.14 6 2 18 7.39 3.27 7 -2 18 0.38 2.18 7 2 18 1.1 2.55 -15 -3 18 40.45 6.95 -15 3 18 32.27 5.81 -14 -3 18 1.44 2.16 -14 3 18 2.56 2.73 -13 -3 18 0.32 1.96 -13 3 18 2.53 2.3 -12 -3 18 38.05 6.15 -12 3 18 48.31 6.97 -11 -3 18 41.45 6.64 -11 3 18 43.43 6.51 -10 -3 18 39.48 6.42 -10 3 18 46.55 6.64 -9 -3 18 5.51 2.69 -9 3 18 9.5 3.13 -8 -3 18 51.5 7.02 -8 3 18 56.9 7.28 -7 -3 18 0.63 2.29 -7 3 18 6.3 2.96 -6 -3 18 -1 2.04 -6 3 18 0.61 2.12 -5 -3 18 3.33 2.52 -5 3 18 2.08 2.05 -4 -3 18 24.96 4.96 -4 3 18 23.38 4.78 -3 -3 18 5.71 2.82 -3 3 18 4.96 2.89 -2 -3 18 5.52 2.84 -2 3 18 3 2.2 -1 -3 18 76.08 8.29 -1 3 18 73.23 7.99 0 -3 18 18.11 4.38 0 3 18 18.27 4.39 1 -3 18 8.48 3.03 1 3 18 11.61 3.73 2 -3 18 -2.9 2.47 2 3 18 -3.29 2.86 3 -3 18 23.94 4.81 3 3 18 17.59 4.26 4 -3 18 6.5 2.67 4 3 18 5.55 2.73 5 -3 18 11.46 3.68 5 3 18 9.02 3.01 6 -3 18 14.62 3.9 6 3 18 6.98 3.08 -13 -4 18 4.21 3.04 -13 4 18 2.07 2.75 -12 -4 18 8.88 3.29 -12 4 18 5.33 3.07 -11 -4 18 156.15 12.26 -11 4 18 146.82 12.07 -10 -4 18 1.35 2.24 -10 4 18 3.19 2.78 -9 -4 18 3.02 2.83 -9 4 18 3.64 2.81 -8 -4 18 19.55 4.66 -8 4 18 24.39 5 -7 -4 18 38.84 6.2 -7 4 18 31.79 5.79 -6 -4 18 0.84 2.19 -6 4 18 3.47 2.58 -5 -4 18 1.92 2.4 -5 4 18 0.74 2.18 -4 -4 18 -0.34 2.57 -4 4 18 4.96 2.74 -3 -4 18 27.47 5.24 -3 4 18 28.58 5.23 -2 -4 18 14.57 4.01 -2 4 18 5.42 3.04 -1 -4 18 5.77 3.05 -1 4 18 15.02 4.18 0 -4 18 7.34 3.4 0 4 18 11.36 3.84 1 -4 18 80.38 8.55 1 4 18 88.67 8.73 2 -4 18 8.81 3.84 2 4 18 12.3 3.84 3 -4 18 1.5 2.75 3 4 18 -0.69 2.2 4 -4 18 4.11 3 4 4 18 4.31 3.1 -11 -5 18 1.37 2.25 -11 5 18 -2.99 3.18 11 -5 -18 1.74 3.11 -10 -5 18 86.63 9.54 -10 5 18 85.54 9.47 10 -5 -18 73.82 9.68 -9 -5 18 30.34 5.74 -9 5 18 31.97 5.71 9 -5 -18 28.41 5.93 -8 -5 18 1.93 2.92 -8 5 18 2.42 2.33 -7 -5 18 66.16 8.13 -7 5 18 72.74 8.37 -6 -5 18 14.72 4.32 -6 5 18 11.96 4.14 -5 -5 18 7.3 3.19 -5 5 18 7.85 3.29 -4 -5 18 14.24 4.2 -4 5 18 22.12 5.07 -3 -5 18 9.81 3.33 -3 5 18 6.53 2.93 -2 -5 18 3.14 3.07 -2 5 18 3.81 2.69 -1 -5 18 1.73 2.74 -1 5 18 -0.2 2.27 0 -5 18 0.78 2.67 0 5 18 6.57 2.94 1 -5 18 5.39 3.16 1 5 18 -3.97 3.24 2 -5 18 8.95 3.51 2 5 18 1.33 2.19 -15 0 19 5.76 3.58 -14 0 19 4.88 3.38 -13 0 19 2.89 2.62 -12 0 19 3.78 2.77 -11 0 19 -3.86 2.73 -10 0 19 -1.55 2.21 -9 0 19 -0.37 2.04 -8 0 19 -4.37 3.4 -7 0 19 -3.38 2.93 -6 0 19 -3.29 2.77 -5 0 19 -1.91 2.62 -4 0 19 -4.73 3.1 -3 0 19 -0.04 1.92 -2 0 19 -2.7 2.55 -1 0 19 -1.05 2.43 0 0 19 -1.07 2.63 1 0 19 -4.12 3.04 2 0 19 -1.13 2.17 3 0 19 -0.34 1.98 4 0 19 1.26 2.45 5 0 19 -0.61 2.17 -14 -1 19 33.63 6.14 -14 1 19 34.11 6.12 -13 -1 19 2.66 2.19 -13 1 19 -0.14 2.34 -12 -1 19 21.24 4.7 -12 1 19 19.82 4.7 -11 -1 19 3.89 3.07 -11 1 19 4.88 3.07 -10 -1 19 -0.02 2.46 -10 1 19 3.59 2.6 -9 -1 19 12.99 3.84 -9 1 19 13.42 4.13 -8 -1 19 0.05 2.77 -8 1 19 3.55 2.2 -7 -1 19 9.44 3.73 -7 1 19 9.25 3.55 -6 -1 19 4.9 2.73 -6 1 19 8.09 3.56 -5 -1 19 39.14 6.24 -5 1 19 40.43 6.34 -4 -1 19 5.35 2.71 -4 1 19 1.51 2.66 -3 -1 19 17.19 4.37 -3 1 19 17.71 4.33 -2 -1 19 23.45 4.53 -2 1 19 21.56 4.7 -1 -1 19 44.21 6.26 -1 1 19 51.45 6.81 0 -1 19 77.53 8.41 0 1 19 62.24 7.59 1 -1 19 11.71 3.92 1 1 19 1.49 2.35 2 -1 19 2.33 2.46 2 1 19 0.8 2.33 3 -1 19 6.26 3.25 3 1 19 6.6 3.42 4 -1 19 -1.73 2.2 4 1 19 2.09 2.54 5 -1 19 67.89 7.83 5 1 19 59.34 7.56 -14 -2 19 46.68 7 -14 2 19 35.44 5.95 -13 -2 19 7.6 3.57 -13 2 19 5.45 3.17 -12 -2 19 4.97 3.42 -12 2 19 -2.65 2.96 -11 -2 19 58.16 7.7 -11 2 19 63.95 7.88 -10 -2 19 29.04 5.68 -10 2 19 27.24 5.66 -9 -2 19 0.86 1.98 -9 2 19 0.09 2.56 -8 -2 19 15.35 4.23 -8 2 19 7.02 3.33 -7 -2 19 6.73 3.47 -7 2 19 4.76 3.38 -6 -2 19 -1.58 2.27 -6 2 19 12.69 5.77 -5 -2 19 0.32 1.99 -5 2 19 -0.84 2.33 -4 -2 19 0.59 2.39 -4 2 19 4.61 2.89 -3 -2 19 7.78 3.3 -3 2 19 4.85 3.31 -2 -2 19 40.75 6.42 -2 2 19 51.23 6.86 -1 -2 19 211.33 13.97 -1 2 19 235.56 14.59 0 -2 19 16.18 4.68 0 2 19 14.17 3.95 1 -2 19 10.92 3.92 1 2 19 11.83 4.1 2 -2 19 -3.31 2.57 2 2 19 -0.71 2.55 3 -2 19 -3.82 2.59 3 2 19 6.07 3.05 4 -2 19 -2.58 2.2 4 2 19 0.38 2.3 -12 -3 19 2.21 2.33 -12 3 19 -3.77 3.01 -11 -3 19 3.92 2.92 -11 3 19 0.52 2.36 -10 -3 19 5.62 3.53 -10 3 19 -0.29 2.06 -9 -3 19 9.74 3.73 -9 3 19 10.36 3.46 -8 -3 19 1.03 2.12 -8 3 19 -0.24 2.56 -7 -3 19 20.56 4.85 -7 3 19 17.61 4.18 -6 -3 19 40.12 6.64 -6 3 19 43.32 6.49 -5 -3 19 38.28 6.4 -5 3 19 39.01 6.4 -4 -3 19 0.02 2.49 -4 3 19 -1.69 2.56 -3 -3 19 13.31 4.26 -3 3 19 7.93 3.7 -2 -3 19 14.95 4.16 -2 3 19 12.93 4.13 -1 -3 19 -0.81 2.32 -1 3 19 2 2.04 0 -3 19 -0.07 2.59 0 3 19 1.81 2.41 1 -3 19 7.57 3.37 1 3 19 1.45 2.73 2 -3 19 33.85 6.03 2 3 19 35.99 6.04 3 -3 19 7.96 3.41 3 3 19 10.98 3.91 -10 -4 19 1.9 3.04 -10 4 19 -2.84 3.25 -9 -4 19 10.13 3.81 -9 4 19 10.26 3.97 -8 -4 19 -1.5 2.74 -8 4 19 3.79 2.72 -7 -4 19 20.73 4.92 -7 4 19 32.73 5.86 -6 -4 19 18.18 4.36 -6 4 19 26.73 5.24 -5 -4 19 3.04 3 -5 4 19 0.14 2.17 -4 -4 19 17.74 4.55 -4 4 19 20.14 4.84 -3 -4 19 8.28 4.18 -3 4 19 -2.23 2.79 -2 -4 19 7.69 3.22 -2 4 19 9.97 3.78 -1 -4 19 2.42 2.92 -1 4 19 0.02 2.22 0 -4 19 -0.87 2.38 0 4 19 0.64 2.06 -11 0 20 3.37 2.6 -10 0 20 33.94 6.04 -9 0 20 0.29 2.29 -8 0 20 13.88 4.3 -7 0 20 120.53 11.09 -6 0 20 13.5 3.98 -5 0 20 56.75 7.52 -4 0 20 25.44 5.28 -3 0 20 44.91 6.99 -2 0 20 -0.12 2.45 -1 0 20 11.74 3.7 0 0 20 3.39 2.9 1 0 20 0.98 2.69 -11 -1 20 12.47 4.09 -11 1 20 12.36 4.08 -10 -1 20 47.56 7.2 -10 1 20 51.71 7.35 -9 -1 20 15.07 4.11 -9 1 20 13.65 3.85 -8 -1 20 31.55 6 -8 1 20 31.8 5.77 -7 -1 20 20.11 4.53 -7 1 20 21.6 5.12 -6 -1 20 -2.57 2.95 -6 1 20 -0.31 2.57 -5 -1 20 -0.07 2.18 -5 1 20 3.57 3.27 -4 -1 20 16.18 4.32 -4 1 20 16.52 4.52 -3 -1 20 35.97 6.03 -3 1 20 41.32 6.5 -2 -1 20 29.45 5.5 -2 1 20 27.26 5.31 -1 -1 20 6.41 2.98 -1 1 20 0.63 2.11 0 -1 20 15.94 4.28 0 1 20 12.33 3.7 1 -1 20 -1.26 2.65 1 1 20 1.23 2.24 -10 -2 20 36.7 6.34 -10 2 20 45.36 7.05 -9 -2 20 4.46 2.92 -9 2 20 2.08 2.66 -8 -2 20 34.3 6.21 -8 2 20 25.93 5.54 -7 -2 20 14.82 4.79 -7 2 20 15.41 4.49 -6 -2 20 4.75 2.98 -6 2 20 -0.91 2.52 -5 -2 20 24.39 5.38 -5 2 20 17.82 4.57 -4 -2 20 1.6 2.31 -4 2 20 2.93 3.11 -3 -2 20 51.57 7.57 -3 2 20 58.15 7.83 -2 -2 20 57.15 7.75 -2 2 20 60.87 7.9 -1 -2 20 4.49 2.83 -1 2 20 10.35 3.9 0 -2 20 11.22 3.87 0 2 20 -0.28 2.46 -7 -3 20 -1.62 2.48 -7 3 20 -2.03 2.34 -6 -3 20 1.02 2.11 -6 3 20 3.54 2.27 -5 -3 20 1.83 2.19 -5 3 20 0.99 2.16 -4 -3 20 12.42 4.15 -4 3 20 20.95 4.95 -3 -3 20 30.12 6 -3 3 20 34.48 6 _iucr_refine_instructions_details ; amx-f41-100k.res created by SHELXL-2014/7 TITL amx-f41-100k_a.res in P2(1)/c REM Old TITL amx-f41-100K in P2(1)/c REM SHELXT solution in P2(1)/c REM R1 0.139, Rweak 0.005, Alpha 0.022, Orientation as input REM Formula found by SHELXT: C38 N6 O7 Cl2 CELL 0.71073 21.344 9.9544 17.4685 90 102.041 90 ZERR 4 0.0009 0.0004 0.0008 0 0.004 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Cl N O UNIT 148 160 8 24 32 L.S. 10 PLAN 20 SIZE 0.3 0.3 0.4 TEMP -173.15(10) BOND $H list 4 fmap 2 acta 50 OMIT 9 0 0 OMIT -6 0 8 OMIT 10 0 4 OMIT 7 1 2 OMIT 5 2 3 OMIT -2 0 4 OMIT 1 2 1 OMIT 0 2 0 OMIT 8 2 6 REM REM REM WGHT 0.057800 5.188300 FVAR 0.31508 0.26271 CL1 3 0.939821 0.871097 0.605314 11.00000 0.02702 0.03822 = 0.04228 -0.00895 0.00611 -0.00150 CL2 3 0.918591 0.252999 0.638357 11.00000 0.03288 0.03770 = 0.05950 -0.00301 0.02310 0.00450 O1 5 0.867548 0.444544 0.369810 11.00000 0.02710 0.03213 = 0.02720 0.00107 0.00849 -0.00121 O2 5 0.806865 0.718080 0.768577 11.00000 0.03900 0.03162 = 0.02554 -0.00235 0.00987 0.00244 O5 5 0.419736 0.465456 0.110583 11.00000 0.02530 0.03977 = 0.03547 -0.00147 0.01280 -0.00093 O6 5 0.460872 0.284654 0.064893 11.00000 0.03859 0.02817 = 0.05463 -0.00255 0.02165 -0.00741 O3 5 0.543655 0.633024 0.202354 11.00000 0.04360 0.04186 = 0.03533 -0.01058 0.00696 -0.00406 AFIX 6 O7 5 0.618636 0.208876 0.470182 11.00000 0.04345 0.03707 = 0.04911 -0.00184 0.02082 -0.00159 H7A 2 0.583456 0.250829 0.466667 11.00000 -1.50000 H7B 2 0.608076 0.134846 0.446751 11.00000 -1.50000 AFIX 0 N2 4 0.727479 0.609625 0.472036 11.00000 0.01878 0.02707 = 0.02920 0.00296 0.00822 0.00049 N4 4 0.688569 0.635489 0.667664 11.00000 0.02915 0.02561 = 0.02863 0.00102 0.01349 -0.00052 N3 4 0.614475 0.652796 0.352475 11.00000 0.02576 0.02550 = 0.02412 -0.00241 0.00684 0.00378 AFIX 23 H3A 2 0.590638 0.637039 0.303716 11.00000 -1.20000 H3B 2 0.592659 0.712039 0.376821 11.00000 -1.20000 AFIX 0 N1 4 0.761512 0.397846 0.447548 11.00000 0.02384 0.02778 = 0.02981 0.00386 0.00815 0.00070 O4 5 0.579444 0.424475 0.228147 11.00000 0.06338 0.04755 = 0.03467 -0.00047 -0.00755 0.00889 N5 4 0.687205 0.404877 0.679489 11.00000 0.02884 0.02598 = 0.04050 0.00267 0.01876 -0.00193 N6 4 0.596425 0.338094 0.773601 11.00000 0.03115 0.04827 = 0.03408 -0.00424 0.01547 -0.00583 AFIX 23 H6A 2 0.583842 0.254242 0.756094 11.00000 -1.20000 H6B 2 0.575053 0.359822 0.811836 11.00000 -1.20000 AFIX 6 PART 2 O8A 5 0.492960 0.330830 0.425304 -21.00000 0.03252 0.03122 = 0.02704 0.00598 0.00798 -0.00452 H8AA 2 0.466298 0.321304 0.382165 -21.00000 -1.50000 H8AB 2 0.475291 0.292683 0.458915 -21.00000 -1.50000 AFIX 0 PART 0 C2 1 0.840337 0.584554 0.471332 11.00000 0.01976 0.02886 = 0.02775 0.00637 0.00552 0.00196 C18 1 0.720417 0.525550 0.683085 11.00000 0.03278 0.02933 = 0.02434 0.00019 0.01543 -0.00108 C20 1 0.832683 0.608900 0.735736 11.00000 0.03496 0.02892 = 0.02441 0.00425 0.01201 0.00312 C8 1 0.806263 0.300110 0.439149 11.00000 0.02252 0.03053 = 0.02767 0.00170 0.00333 0.00236 C1 1 0.775220 0.522333 0.459773 11.00000 0.02167 0.03109 = 0.02333 0.00452 0.00647 0.00298 C4 1 0.858746 0.685267 0.527471 11.00000 0.02315 0.03127 = 0.02940 0.00512 0.00782 0.00313 AFIX 43 H4 2 0.830428 0.712551 0.559885 11.00000 -1.20000 AFIX 0 C30 1 0.774832 0.803398 0.708753 11.00000 0.03305 0.02743 = 0.02522 -0.00210 0.01113 0.00122 C36 1 0.528740 0.477216 0.096780 11.00000 0.02549 0.02907 = 0.02530 -0.00150 0.01034 -0.00132 AFIX 23 H36A 2 0.559873 0.418947 0.077785 11.00000 -1.20000 H36B 2 0.522525 0.559744 0.064455 11.00000 -1.20000 AFIX 0 C13 1 0.856789 0.318464 0.400594 11.00000 0.02521 0.03100 = 0.02556 -0.00066 0.00255 -0.00115 C7 1 0.943163 0.604286 0.434890 11.00000 0.02277 0.03794 = 0.03232 0.00178 0.01082 0.00057 AFIX 43 H7 2 0.971948 0.575887 0.403338 11.00000 -1.20000 AFIX 0 C19 1 0.791665 0.512357 0.695360 11.00000 0.02981 0.02783 = 0.02896 0.00450 0.01237 -0.00040 C17 1 0.623443 0.524358 0.397496 11.00000 0.02323 0.02754 = 0.02880 0.00010 0.00848 0.00016 AFIX 23 H17A 2 0.643534 0.456581 0.368797 11.00000 -1.20000 H17B 2 0.581336 0.489344 0.403555 11.00000 -1.20000 AFIX 0 C25 1 0.716976 0.760464 0.660748 11.00000 0.03167 0.02566 = 0.02390 -0.00293 0.01446 -0.00045 C16 1 0.665499 0.548828 0.476875 11.00000 0.02028 0.03023 = 0.02709 0.00233 0.01101 -0.00150 AFIX 23 H16A 2 0.642850 0.608967 0.507225 11.00000 -1.20000 H16B 2 0.673288 0.462410 0.505321 11.00000 -1.20000 AFIX 0 C35 1 0.554098 0.513367 0.182087 11.00000 0.02576 0.03372 = 0.03133 -0.00079 0.00726 -0.00067 C21 1 0.819247 0.403009 0.663496 11.00000 0.02982 0.02795 = 0.03365 0.00341 0.01423 -0.00174 AFIX 43 H21 2 0.792725 0.336486 0.634018 11.00000 -1.20000 AFIX 0 C37 1 0.464809 0.403412 0.089721 11.00000 0.02428 0.03497 = 0.02170 0.00428 0.00885 0.00047 C26 1 0.683511 0.853951 0.607821 11.00000 0.02981 0.02975 = 0.02687 -0.00214 0.01200 0.00216 AFIX 43 H26 2 0.643140 0.830040 0.576444 11.00000 -1.20000 AFIX 0 C15 1 0.676791 0.712686 0.345787 11.00000 0.02652 0.02886 = 0.02642 0.00203 0.01160 0.00147 AFIX 23 H15A 2 0.669323 0.799215 0.317409 11.00000 -1.20000 H15B 2 0.699156 0.651737 0.315553 11.00000 -1.20000 AFIX 0 C3 1 0.883873 0.542948 0.426860 11.00000 0.02419 0.02792 = 0.02355 0.00344 0.00453 -0.00027 C5 1 0.918267 0.744865 0.535573 11.00000 0.02403 0.02980 = 0.02947 0.00103 0.00273 -0.00112 C9 1 0.796006 0.168891 0.464034 11.00000 0.03046 0.03056 = 0.03602 0.00557 0.00450 -0.00058 AFIX 43 H9 2 0.761586 0.152778 0.489634 11.00000 -1.20000 AFIX 0 C29 1 0.799704 0.929441 0.701823 11.00000 0.03205 0.03255 = 0.02837 -0.00785 0.01153 -0.00236 AFIX 43 H29 2 0.839304 0.955177 0.734350 11.00000 -1.20000 AFIX 0 C12 1 0.894295 0.212670 0.385728 11.00000 0.02399 0.04193 = 0.03285 -0.00837 0.00279 0.00188 AFIX 43 H12 2 0.927064 0.227277 0.357272 11.00000 -1.20000 AFIX 0 C6 1 0.960727 0.707241 0.488933 11.00000 0.02094 0.03569 = 0.03641 0.00239 0.00830 -0.00149 AFIX 43 H6 2 1.000932 0.750984 0.493882 11.00000 -1.20000 AFIX 0 C14 1 0.718315 0.735747 0.426621 11.00000 0.02129 0.02622 = 0.03081 0.00100 0.00845 0.00053 AFIX 23 H14A 2 0.760523 0.771313 0.421341 11.00000 -1.20000 H14B 2 0.697764 0.803384 0.454898 11.00000 -1.20000 AFIX 0 C24 1 0.898890 0.599770 0.746384 11.00000 0.03303 0.03503 = 0.03039 0.00083 0.00757 -0.00443 AFIX 43 H24 2 0.925591 0.668092 0.773774 11.00000 -1.20000 AFIX 0 C23 1 0.925406 0.489635 0.716495 11.00000 0.02776 0.04264 = 0.03712 0.00723 0.01164 0.00226 AFIX 43 H23 2 0.970596 0.480584 0.724143 11.00000 -1.20000 AFIX 0 C27 1 0.708218 0.980823 0.600358 11.00000 0.03736 0.02825 = 0.03456 0.00162 0.01328 0.00149 AFIX 43 H27 2 0.685308 1.042397 0.563262 11.00000 -1.20000 AFIX 0 C28 1 0.766630 1.017983 0.647256 11.00000 0.03903 0.02444 = 0.04261 -0.00293 0.01659 -0.00292 AFIX 43 H28 2 0.783792 1.104629 0.641677 11.00000 -1.20000 AFIX 0 C22 1 0.885407 0.392818 0.675347 11.00000 0.02987 0.03229 = 0.03765 0.00529 0.01749 0.00318 C31 1 0.667151 0.336960 0.807608 11.00000 0.02942 0.03585 = 0.03000 -0.00129 0.01023 -0.00287 AFIX 23 H31A 2 0.677016 0.267242 0.848782 11.00000 -1.20000 H31B 2 0.680401 0.425125 0.831891 11.00000 -1.20000 AFIX 0 C32 1 0.704106 0.308053 0.743615 11.00000 0.03698 0.02842 = 0.04080 0.00140 0.02168 0.00061 AFIX 23 H32A 2 0.750673 0.313061 0.765841 11.00000 -1.20000 H32B 2 0.694157 0.216001 0.723221 11.00000 -1.20000 AFIX 0 C10 1 0.834464 0.063689 0.452250 11.00000 0.03796 0.02897 = 0.03891 0.00114 -0.00192 0.00134 AFIX 43 H10 2 0.827327 -0.023263 0.471159 11.00000 -1.20000 AFIX 0 C34 1 0.617732 0.405715 0.646667 11.00000 0.03286 0.03341 = 0.03555 -0.00299 0.01462 -0.00625 AFIX 23 H34A 2 0.604858 0.317187 0.622644 11.00000 -1.20000 H34B 2 0.608117 0.474475 0.604915 11.00000 -1.20000 AFIX 0 C11 1 0.883987 0.084116 0.412593 11.00000 0.03194 0.03581 = 0.04341 -0.00831 -0.00114 0.00616 AFIX 43 H11 2 0.910442 0.011312 0.403941 11.00000 -1.20000 AFIX 0 C33 1 0.578894 0.435124 0.707964 11.00000 0.02847 0.04347 = 0.03135 0.00004 0.01120 -0.00086 AFIX 23 H33A 2 0.587509 0.527918 0.727759 11.00000 -1.20000 H33B 2 0.532629 0.427478 0.684493 11.00000 -1.20000 AFIX 6 PART 1 O8B 5 0.519931 0.369792 0.492991 21.00000 0.06989 0.05171 = 0.07435 0.01197 0.03910 -0.00230 H8BA 2 0.498667 0.440918 0.496375 21.00000 -1.50000 H8BB 2 0.511631 0.311662 0.525101 21.00000 -1.50000 AFIX 0 HKLF 4 REM amx-f41-100k_a.res in P2(1)/c REM R1 = 0.0571 for 5196 Fo > 4sig(Fo) and 0.0712 for all 6407 data REM 497 parameters refined using 0 restraints END WGHT 0.0578 5.1881 REM Highest difference peak 1.139, deepest hole -0.350, 1-sigma level 0.064 Q1 1 0.5070 0.3177 0.3450 11.00000 0.05 1.14 Q2 1 0.4437 0.3471 0.3457 11.00000 0.05 0.81 Q3 1 0.6123 0.4893 0.2126 11.00000 0.05 0.48 Q4 1 0.6201 0.2547 0.7827 11.00000 0.05 0.42 Q5 1 0.4786 0.2958 0.1126 11.00000 0.05 0.40 Q6 1 0.5851 0.6023 0.2166 11.00000 0.05 0.36 Q7 1 0.9463 0.2496 0.6812 11.00000 0.05 0.32 Q8 1 0.4756 0.2544 0.3946 11.00000 0.05 0.26 Q9 1 0.6189 0.1950 0.3991 11.00000 0.05 0.26 Q10 1 0.5318 0.7358 0.1693 11.00000 0.05 0.25 Q11 1 0.8430 0.7356 0.7959 11.00000 0.05 0.25 Q12 1 0.5028 0.7048 0.1707 11.00000 0.05 0.25 Q13 1 0.5874 0.3468 0.7169 11.00000 0.05 0.24 Q14 1 0.8148 0.4570 0.7121 11.00000 0.05 0.23 Q15 1 0.8666 0.5511 0.4591 11.00000 0.05 0.22 Q16 1 0.6617 0.3961 0.6736 11.00000 0.05 0.22 Q17 1 0.7488 0.7620 0.6749 11.00000 0.05 0.22 Q18 1 0.6012 0.2165 0.3885 11.00000 0.05 0.22 Q19 1 0.7708 0.9729 0.6960 11.00000 0.05 0.22 Q20 1 0.8099 0.5399 0.7260 11.00000 0.05 0.21 REM The information below was added by Olex2. REM REM R1 = 0.0571 for 5196 Fo > 4sig(Fo) and 0.0712 for all 21641 data REM n/a parameters refined using n/a restraints REM Highest difference peak 1.14, deepest hole -0.35 REM Mean Shift 0, Max Shift 0.001. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0712 REM R1_gt = 0.0571 REM wR_ref = 0.1475 REM GOOF = 1.077 REM Shift_max = 0.001 REM Shift_mean = 0 REM Reflections_all = 21641 REM Reflections_gt = 5196 REM Parameters = n/a REM Hole = -0.35 REM Peak = 1.14 REM Flack = n/a ; _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.078 _oxdiff_exptl_absorpt_empirical_full_min 0.947