data_jw18482 _audit_creation_date 2016-02-22 _audit_creation_method ; Olex2 1.2 (compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155) ; _publ_contact_author_address ? _publ_contact_author_email ? _publ_contact_author_name '' _publ_contact_author_phone ? _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. Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C20 H14 O6, 4.5(C4 H8 O2)' _chemical_formula_sum 'C38 H50 O15' _chemical_formula_weight 746.78 _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0140 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0390 0.0250 '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 'triclinic' _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.6237(9) _cell_length_b 13.3004(10) _cell_length_c 13.6633(10) _cell_angle_alpha 62.625(3) _cell_angle_beta 81.097(4) _cell_angle_gamma 82.543(4) _cell_volume 1849.1(2) _cell_formula_units_Z 2 _cell_measurement_reflns_used 9789 _cell_measurement_temperature 100 _cell_measurement_theta_max 60.599 _cell_measurement_theta_min 3.188 _shelx_estimated_absorpt_T_max 0.962 _shelx_estimated_absorpt_T_min 0.936 _exptl_absorpt_coefficient_mu 0.556 _exptl_absorpt_correction_T_max 0.7519 _exptl_absorpt_correction_T_min 0.5765 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1400 before and 0.0841 after correction. The Ratio of minimum to maximum transmission is 0.7667. The \l/2 correction factor is 0.00150. ; _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 1.341 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description Block _exptl_crystal_F_000 796 _exptl_crystal_preparation 'synthesized by the authors' _exptl_crystal_recrystallization_method 'crystallized from dioxane' _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.07 _exptl_special_details ; X-ray crystallographic data for I were collected from a single crystal sample, which was mounted on a loop fiber. Data were collected using a Bruker Venture diffractometer equipped with a Photon 100 CMOS Detector, a Helios MX optics and a Kappa goniometer. The crystal-to-detector distance was 4.0 cm, and the data collection was carried out in 1024 x 1024 pixel mode. ; _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0685 _diffrn_reflns_av_unetI/netI 0.0567 _diffrn_reflns_Laue_measured_fraction_full 0.994 _diffrn_reflns_Laue_measured_fraction_max 0.990 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 46841 _diffrn_reflns_point_group_measured_fraction_full 0.994 _diffrn_reflns_point_group_measured_fraction_max 0.990 _diffrn_reflns_theta_full 53.594 _diffrn_reflns_theta_max 60.826 _diffrn_reflns_theta_min 3.356 _diffrn_ambient_temperature 100 _diffrn_detector 'CMOS Area detector' _diffrn_detector_area_resol_mean 10.24 _diffrn_detector_type 'Bruker Photon 100 CMOS Detector' _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.990 _diffrn_measurement_device 'k-geometry diffractometer' _diffrn_measurement_device_type 'Bruker Venture Metaljet' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_collimation 'Focusing mirrors' _diffrn_radiation_monochromator 'Helios MX Mirror Optics' _diffrn_radiation_probe X-ray _diffrn_radiation_type GaK\a _diffrn_radiation_wavelength 1.34139 _diffrn_source 'Metal Jet' _diffrn_source_target Ga _diffrn_source_type 'Gallium Liquid Metal Jet Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 5851 _reflns_number_total 8458 _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 ; SAINT (2013) V8.34A; Integration Software for Single Crystal Data. Bruker AXS Inc., Madison, WI 53719-1173. ; _computing_data_collection ; APEX 2 (2013) Bruker AXS Inc., Madison, WI 53719-1173. ; _computing_data_reduction ; SAINT (2013) V8.34A; Integration Software for Single Crystal Data. Bruker AXS Inc., Madison, WI 53719-1173. ; _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 0.375 _refine_diff_density_min -0.298 _refine_diff_density_rms 0.058 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.030 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 497 _refine_ls_number_reflns 8458 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.1066 _refine_ls_R_factor_gt 0.0671 _refine_ls_restrained_S_all 1.030 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0502P)^2^+1.9515P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1431 _refine_ls_wR_factor_ref 0.1629 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All O(H) groups 2. Uiso/Uaniso restraints and constraints O14 \\sim O15 \\sim C35A: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 Uanis(C38) = Uanis(C38A) Uanis(C37) = Uanis(C37A) Uanis(C36) = Uanis(C36A) Uanis(C35) = Uanis(C35A) 3. Others Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(C37A)=Sof(H37C)=Sof(H37D)=Sof(C36A)= Sof(H36C)=Sof(H36D)=Sof(C35)=Sof(H35A)=Sof(H35B)=1-FVAR(1) Sof(C35A)=Sof(H35C)=Sof(H35D)=Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(C37)=Sof(H37A)= Sof(H37B)=Sof(C38A)=Sof(H38C)=Sof(H38D)=FVAR(1) 4.a Ternary CH refined with riding coordinates: C1(H1A), C2(H2A) 4.b Secondary CH2 refined with riding coordinates: C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A, H25B), C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C35A(H35C,H35D), C36(H36A,H36B), C37(H37A,H37B), C38A(H38C,H38D), C38(H38A, H38B), C37A(H37C,H37D), C36A(H36C,H36D), C35(H35A,H35B) 4.c Aromatic/amide H refined with riding coordinates: C4(H4A), C7(H7), C10(H10), C13(H13), C16(H16), C19(H19) 4.d Idealised tetrahedral OH refined as rotating group: O1(H1), O2(H2), O3(H3), O4(H4), O5(H5), O6(H6) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _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 O1 O 0.42367(14) 0.12925(13) 0.41304(13) 0.0344(4) Uani 1 1 d . . . . . H1 H 0.3761 0.0809 0.4554 0.052 Uiso 1 1 calc GR . . . . O2 O 0.53510(14) 0.32338(13) 0.29739(12) 0.0324(4) Uani 1 1 d . . . . . H2 H 0.4805 0.3043 0.2770 0.049 Uiso 1 1 calc GR . . . . O3 O 0.90063(14) -0.10689(14) 0.90989(14) 0.0418(4) Uani 1 1 d . . . . . H3 H 0.8554 -0.1589 0.9481 0.063 Uiso 1 1 calc GR . . . . O4 O 1.01253(14) 0.08459(15) 0.79527(16) 0.0447(4) Uani 1 1 d . . . . . H4 H 1.0358 0.1505 0.7653 0.067 Uiso 1 1 calc GR . . . . O5 O 0.35322(14) 0.48271(13) 0.84802(13) 0.0350(4) Uani 1 1 d . . . . . H5 H 0.3892 0.5405 0.8043 0.053 Uiso 1 1 calc GR . . . . O6 O 0.24537(14) 0.28453(13) 0.96251(13) 0.0365(4) Uani 1 1 d . . . . . H6 H 0.2168 0.3501 0.9501 0.055 Uiso 1 1 calc GR . . . . C1 C 0.63486(19) 0.29450(17) 0.65270(17) 0.0271(5) Uani 1 1 d . . . . . H1A H 0.6760 0.3662 0.6096 0.033 Uiso 1 1 calc R . . . . C2 C 0.52787(19) 0.10843(18) 0.76496(18) 0.0280(5) Uani 1 1 d . . . . . H2A H 0.4867 0.0367 0.8083 0.034 Uiso 1 1 calc R . . . . C3 C 0.52104(18) 0.15934(17) 0.64063(18) 0.0270(5) Uani 1 1 d . . . . . C4 C 0.46732(18) 0.11447(17) 0.58717(18) 0.0275(5) Uani 1 1 d . . . . . H4A H 0.4278 0.0467 0.6287 0.033 Uiso 1 1 calc R . . . . C5 C 0.47162(19) 0.16924(18) 0.47258(18) 0.0282(5) Uani 1 1 d . . . . . C6 C 0.52893(19) 0.26935(18) 0.41190(18) 0.0279(5) Uani 1 1 d . . . . . C7 C 0.58276(18) 0.31502(17) 0.46520(18) 0.0269(5) Uani 1 1 d . . . . . H7 H 0.6213 0.3834 0.4237 0.032 Uiso 1 1 calc R . . . . C8 C 0.57927(18) 0.25939(17) 0.57963(18) 0.0265(5) Uani 1 1 d . . . . . C9 C 0.65753(19) 0.09262(18) 0.77875(17) 0.0271(5) Uani 1 1 d . . . . . C10 C 0.71838(19) -0.00810(18) 0.84085(18) 0.0293(5) Uani 1 1 d . . . . . H10 H 0.6791 -0.0763 0.8798 0.035 Uiso 1 1 calc R . . . . C11 C 0.8372(2) -0.00977(19) 0.84639(18) 0.0314(5) Uani 1 1 d . . . . . C12 C 0.89543(19) 0.0904(2) 0.78655(19) 0.0326(5) Uani 1 1 d . . . . . C13 C 0.8339(2) 0.19124(19) 0.72180(18) 0.0305(5) Uani 1 1 d . . . . . H13 H 0.8735 0.2589 0.6799 0.037 Uiso 1 1 calc R . . . . C14 C 0.71521(19) 0.19274(18) 0.71864(17) 0.0278(5) Uani 1 1 d . . . . . C15 C 0.53486(18) 0.30264(18) 0.73647(17) 0.0265(5) Uani 1 1 d . . . . . C16 C 0.49539(19) 0.39733(18) 0.75230(17) 0.0272(5) Uani 1 1 d . . . . . H16 H 0.5341 0.4657 0.7114 0.033 Uiso 1 1 calc R . . . . C17 C 0.39888(19) 0.39220(18) 0.82821(18) 0.0287(5) Uani 1 1 d . . . . . C18 C 0.34153(19) 0.29192(18) 0.88752(17) 0.0293(5) Uani 1 1 d . . . . . C19 C 0.38121(19) 0.19665(18) 0.87186(18) 0.0293(5) Uani 1 1 d . . . . . H19 H 0.3425 0.1283 0.9124 0.035 Uiso 1 1 calc R . . . . C20 C 0.47773(19) 0.20244(18) 0.79655(17) 0.0271(5) Uani 1 1 d . . . . . O7 O 0.09291(16) 0.44958(15) 0.95658(17) 0.0524(5) Uani 1 1 d . . . . . C21 C 0.0786(2) 0.5695(2) 0.9146(2) 0.0506(7) Uani 1 1 d . . . . . H21A H 0.0319 0.6019 0.8508 0.061 Uiso 1 1 calc R . . . . H21B H 0.1559 0.6019 0.8886 0.061 Uiso 1 1 calc R . . . . C22 C -0.0183(2) 0.4004(2) 0.9967(3) 0.0535(7) Uani 1 1 d . . . . . H22A H -0.0067 0.3169 1.0268 0.064 Uiso 1 1 calc R . . . . H22B H -0.0672 0.4289 0.9349 0.064 Uiso 1 1 calc R . . . . O8 O 0.35641(14) 0.32786(14) 0.18986(13) 0.0381(4) Uani 1 1 d . . . . . O9 O 0.14617(15) 0.40874(14) 0.27534(15) 0.0433(4) Uani 1 1 d . . . . . C23 C 0.2536(2) 0.2648(2) 0.2297(2) 0.0410(6) Uani 1 1 d . . . . . H23A H 0.2768 0.1826 0.2611 0.049 Uiso 1 1 calc R . . . . H23B H 0.2079 0.2847 0.1670 0.049 Uiso 1 1 calc R . . . . C24 C 0.1793(2) 0.2900(2) 0.3167(2) 0.0402(6) Uani 1 1 d . . . . . H24A H 0.1084 0.2470 0.3414 0.048 Uiso 1 1 calc R . . . . H24B H 0.2231 0.2648 0.3816 0.048 Uiso 1 1 calc R . . . . C25 C 0.2488(2) 0.4703(2) 0.2369(2) 0.0411(6) Uani 1 1 d . . . . . H25A H 0.2946 0.4485 0.2998 0.049 Uiso 1 1 calc R . . . . H25B H 0.2264 0.5525 0.2070 0.049 Uiso 1 1 calc R . . . . C26 C 0.3231(2) 0.4469(2) 0.1481(2) 0.0398(6) Uani 1 1 d . . . . . H26A H 0.2790 0.4721 0.0835 0.048 Uiso 1 1 calc R . . . . H26B H 0.3939 0.4902 0.1234 0.048 Uiso 1 1 calc R . . . . O10 O 1.20677(18) 0.50043(16) 0.56106(17) 0.0591(6) Uani 1 1 d . . . . . O11 O 1.10241(16) 0.29555(15) 0.69580(18) 0.0551(5) Uani 1 1 d . . . . . C27 C 1.2665(2) 0.3949(2) 0.5776(3) 0.0508(7) Uani 1 1 d . . . . . H27A H 1.3157 0.3693 0.6389 0.061 Uiso 1 1 calc R . . . . H27B H 1.3185 0.4047 0.5097 0.061 Uiso 1 1 calc R . . . . C28 C 1.1852(3) 0.3075(3) 0.6043(3) 0.0602(8) Uani 1 1 d . . . . . H28A H 1.1438 0.3279 0.5389 0.072 Uiso 1 1 calc R . . . . H28B H 1.2301 0.2339 0.6211 0.072 Uiso 1 1 calc R . . . . C29 C 1.0444(3) 0.4006(2) 0.6837(3) 0.0576(8) Uani 1 1 d . . . . . H29A H 0.9959 0.3892 0.7538 0.069 Uiso 1 1 calc R . . . . H29B H 0.9918 0.4277 0.6248 0.069 Uiso 1 1 calc R . . . . C30 C 1.1275(3) 0.4881(2) 0.6550(3) 0.0519(7) Uani 1 1 d . . . . . H30A H 1.0834 0.5617 0.6400 0.062 Uiso 1 1 calc R . . . . H30B H 1.1717 0.4668 0.7190 0.062 Uiso 1 1 calc R . . . . O12 O 0.25390(14) -0.01725(14) 0.53632(14) 0.0396(4) Uani 1 1 d . . . . . O13 O 0.05289(15) -0.14226(15) 0.61740(16) 0.0466(5) Uani 1 1 d . . . . . C31 C 0.2022(2) -0.0517(2) 0.4692(2) 0.0421(6) Uani 1 1 d . . . . . H31A H 0.2635 -0.0650 0.4167 0.051 Uiso 1 1 calc R . . . . H31B H 0.1460 0.0094 0.4256 0.051 Uiso 1 1 calc R . . . . C32 C 0.1404(2) -0.1582(2) 0.5401(2) 0.0475(7) Uani 1 1 d . . . . . H32A H 0.1043 -0.1803 0.4925 0.057 Uiso 1 1 calc R . . . . H32B H 0.1976 -0.2203 0.5805 0.057 Uiso 1 1 calc R . . . . C33 C 0.1034(2) -0.1084(2) 0.6849(2) 0.0469(7) Uani 1 1 d . . . . . H33A H 0.1593 -0.1698 0.7287 0.056 Uiso 1 1 calc R . . . . H33B H 0.0415 -0.0957 0.7373 0.056 Uiso 1 1 calc R . . . . C34 C 0.1658(2) -0.0012(2) 0.6154(2) 0.0429(6) Uani 1 1 d . . . . . H34A H 0.1090 0.0618 0.5759 0.052 Uiso 1 1 calc R . . . . H34B H 0.2026 0.0192 0.6640 0.052 Uiso 1 1 calc R . . . . O14 O 0.32807(17) 0.92422(15) -0.14323(17) 0.0533(5) Uani 1 1 d . U . . . O15 O 0.2694(2) 0.70487(16) 0.01076(17) 0.0658(6) Uani 1 1 d . U . . . C35A C 0.4125(6) 0.8264(6) -0.1135(7) 0.0461(13) Uani 0.512(4) 1 d . U P A 2 H35C H 0.4524 0.8168 -0.0505 0.055 Uiso 0.512(4) 1 calc R . P A 2 H35D H 0.4721 0.8375 -0.1772 0.055 Uiso 0.512(4) 1 calc R . P A 2 C36 C 0.3854(9) 0.7255(10) -0.0523(8) 0.0520(19) Uani 0.512(4) 1 d . . P A 1 H36A H 0.4143 0.6602 -0.0677 0.062 Uiso 0.512(4) 1 calc R . P A 1 H36B H 0.4406 0.7324 -0.0076 0.062 Uiso 0.512(4) 1 calc R . P A 1 C37 C 0.2184(8) 0.9029(9) -0.0775(7) 0.0451(15) Uani 0.512(4) 1 d . . P A 1 H37A H 0.1600 0.8974 -0.1202 0.054 Uiso 0.512(4) 1 calc R . P A 1 H37B H 0.1921 0.9670 -0.0597 0.054 Uiso 0.512(4) 1 calc R . P A 1 C38A C 0.1837(6) 0.8040(6) -0.0114(6) 0.0456(12) Uani 0.512(4) 1 d . . P A 2 H38C H 0.1293 0.7908 0.0560 0.055 Uiso 0.512(4) 1 calc R . P A 2 H38D H 0.1376 0.8154 -0.0713 0.055 Uiso 0.512(4) 1 calc R . P A 2 C38 C 0.2258(7) 0.7964(6) 0.0266(6) 0.0456(12) Uani 0.488(4) 1 d . . P A 1 H38A H 0.2758 0.8066 0.0734 0.055 Uiso 0.488(4) 1 calc R . P A 1 H38B H 0.1469 0.7817 0.0674 0.055 Uiso 0.488(4) 1 calc R . P A 1 C37A C 0.2494(9) 0.9067(9) -0.0453(8) 0.0451(15) Uani 0.488(4) 1 d . . P A 2 H37C H 0.1941 0.9741 -0.0606 0.054 Uiso 0.488(4) 1 calc R . P A 2 H37D H 0.2939 0.8958 0.0154 0.054 Uiso 0.488(4) 1 calc R . P A 2 C36A C 0.3475(10) 0.7237(11) -0.0821(9) 0.0520(19) Uani 0.488(4) 1 d . . P A 2 H36C H 0.3051 0.7352 -0.1443 0.062 Uiso 0.488(4) 1 calc R . P A 2 H36D H 0.4034 0.6566 -0.0666 0.062 Uiso 0.488(4) 1 calc R . P A 2 C35 C 0.3809(7) 0.8318(6) -0.1594(7) 0.0461(13) Uani 0.488(4) 1 d . . P A 1 H35A H 0.4613 0.8488 -0.1961 0.055 Uiso 0.488(4) 1 calc R . P A 1 H35B H 0.3368 0.8197 -0.2091 0.055 Uiso 0.488(4) 1 calc R . 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 O1 0.0406(9) 0.0280(8) 0.0309(9) -0.0084(7) -0.0039(7) -0.0092(7) O2 0.0392(9) 0.0272(8) 0.0246(8) -0.0049(7) -0.0034(7) -0.0078(7) O3 0.0352(9) 0.0306(9) 0.0415(10) -0.0024(8) -0.0004(8) -0.0004(7) O4 0.0333(9) 0.0373(10) 0.0529(11) -0.0119(9) -0.0010(8) -0.0036(7) O5 0.0399(9) 0.0249(8) 0.0336(9) -0.0101(7) 0.0057(7) -0.0032(7) O6 0.0369(9) 0.0272(8) 0.0331(9) -0.0067(7) 0.0083(7) -0.0016(7) C1 0.0308(11) 0.0206(10) 0.0245(11) -0.0057(9) 0.0016(9) -0.0065(9) C2 0.0312(11) 0.0215(10) 0.0246(11) -0.0050(9) 0.0005(9) -0.0044(9) C3 0.0275(11) 0.0210(10) 0.0255(11) -0.0057(9) -0.0009(9) -0.0002(8) C4 0.0257(11) 0.0199(10) 0.0300(12) -0.0059(9) -0.0002(9) -0.0028(8) C5 0.0277(11) 0.0237(11) 0.0311(12) -0.0101(9) -0.0052(9) -0.0006(9) C6 0.0299(11) 0.0220(10) 0.0244(11) -0.0050(9) -0.0024(9) 0.0011(9) C7 0.0267(11) 0.0192(10) 0.0279(11) -0.0052(9) -0.0007(9) -0.0022(8) C8 0.0265(11) 0.0215(10) 0.0264(11) -0.0075(9) -0.0005(9) -0.0003(8) C9 0.0310(11) 0.0260(11) 0.0219(11) -0.0093(9) 0.0000(9) -0.0031(9) C10 0.0346(12) 0.0243(11) 0.0220(11) -0.0057(9) 0.0034(9) -0.0045(9) C11 0.0342(12) 0.0281(12) 0.0251(12) -0.0074(10) -0.0010(9) 0.0006(9) C12 0.0294(12) 0.0350(13) 0.0303(12) -0.0131(10) 0.0002(9) -0.0021(10) C13 0.0325(12) 0.0278(11) 0.0275(12) -0.0097(10) 0.0028(9) -0.0070(9) C14 0.0334(12) 0.0239(11) 0.0225(11) -0.0084(9) 0.0008(9) -0.0030(9) C15 0.0274(11) 0.0248(11) 0.0213(11) -0.0049(9) -0.0033(8) -0.0027(9) C16 0.0297(11) 0.0224(10) 0.0234(11) -0.0044(9) -0.0025(9) -0.0049(9) C17 0.0328(12) 0.0241(11) 0.0244(11) -0.0071(9) -0.0039(9) 0.0007(9) C18 0.0294(11) 0.0276(11) 0.0213(11) -0.0042(9) -0.0007(9) 0.0008(9) C19 0.0312(12) 0.0226(11) 0.0238(11) -0.0017(9) -0.0010(9) -0.0036(9) C20 0.0290(11) 0.0238(11) 0.0231(11) -0.0062(9) -0.0037(9) -0.0002(9) O7 0.0393(10) 0.0396(10) 0.0710(14) -0.0241(10) 0.0061(9) 0.0040(8) C21 0.0429(15) 0.0395(15) 0.0539(17) -0.0110(13) -0.0001(13) 0.0036(12) C22 0.0407(15) 0.0434(15) 0.072(2) -0.0263(15) 0.0025(14) 0.0016(12) O8 0.0407(9) 0.0349(9) 0.0313(9) -0.0085(7) -0.0043(7) -0.0027(7) O9 0.0357(9) 0.0374(10) 0.0494(11) -0.0136(8) -0.0017(8) -0.0042(7) C23 0.0478(15) 0.0356(13) 0.0392(14) -0.0138(11) -0.0110(12) -0.0052(11) C24 0.0390(14) 0.0345(13) 0.0391(14) -0.0085(11) -0.0023(11) -0.0090(11) C25 0.0397(14) 0.0331(13) 0.0431(15) -0.0107(11) -0.0031(11) -0.0050(11) C26 0.0404(14) 0.0328(13) 0.0336(13) -0.0032(11) -0.0054(11) -0.0041(11) O10 0.0589(12) 0.0410(11) 0.0601(13) -0.0122(10) 0.0165(10) -0.0144(9) O11 0.0425(10) 0.0357(10) 0.0727(14) -0.0162(10) 0.0127(10) -0.0087(8) C27 0.0442(15) 0.0494(16) 0.0516(17) -0.0199(14) 0.0106(13) -0.0083(13) C28 0.0545(18) 0.0554(18) 0.075(2) -0.0372(17) 0.0125(16) -0.0100(14) C29 0.0482(17) 0.0447(16) 0.073(2) -0.0255(15) 0.0133(15) -0.0080(13) C30 0.0487(16) 0.0433(15) 0.0604(19) -0.0227(14) 0.0072(14) -0.0101(13) O12 0.0375(9) 0.0425(10) 0.0410(10) -0.0208(8) 0.0055(7) -0.0128(7) O13 0.0361(9) 0.0500(11) 0.0569(12) -0.0286(10) 0.0096(8) -0.0130(8) C31 0.0402(14) 0.0477(15) 0.0432(15) -0.0250(13) 0.0029(11) -0.0093(12) C32 0.0384(14) 0.0500(16) 0.0636(18) -0.0354(15) 0.0072(13) -0.0103(12) C33 0.0490(16) 0.0487(16) 0.0388(15) -0.0170(13) 0.0053(12) -0.0113(13) C34 0.0476(15) 0.0435(15) 0.0403(14) -0.0222(12) 0.0070(12) -0.0120(12) O14 0.0474(11) 0.0324(10) 0.0632(13) -0.0112(9) 0.0117(9) -0.0080(8) O15 0.0861(16) 0.0315(10) 0.0568(13) -0.0084(9) 0.0247(11) -0.0101(10) C35A 0.041(3) 0.0365(18) 0.055(4) -0.017(3) 0.003(2) -0.007(2) C36 0.064(6) 0.0390(18) 0.033(5) -0.004(3) 0.000(3) 0.007(4) C37 0.051(5) 0.0400(18) 0.039(5) -0.015(3) 0.001(3) -0.003(3) C38A 0.047(4) 0.043(2) 0.038(4) -0.013(3) 0.001(2) -0.004(3) C38 0.047(4) 0.043(2) 0.038(4) -0.013(3) 0.001(2) -0.004(3) C37A 0.051(5) 0.0400(18) 0.039(5) -0.015(3) 0.001(3) -0.003(3) C36A 0.064(6) 0.0390(18) 0.033(5) -0.004(3) 0.000(3) 0.007(4) C35 0.041(3) 0.0365(18) 0.055(4) -0.017(3) 0.003(2) -0.007(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O1 H1 0.8400 . ? O1 C5 1.368(3) . ? O2 H2 0.8400 . ? O2 C6 1.384(3) . ? O3 H3 0.8400 . ? O3 C11 1.373(3) . ? O4 H4 0.8400 . ? O4 C12 1.374(3) . ? O5 H5 0.8400 . ? O5 C17 1.376(3) . ? O6 H6 0.8400 . ? O6 C18 1.375(3) . ? C1 H1A 1.0000 . ? C1 C8 1.529(3) . ? C1 C14 1.525(3) . ? C1 C15 1.530(3) . ? C2 H2A 1.0000 . ? C2 C3 1.523(3) . ? C2 C9 1.523(3) . ? C2 C20 1.523(3) . ? C3 C4 1.385(3) . ? C3 C8 1.401(3) . ? C4 H4A 0.9500 . ? C4 C5 1.386(3) . ? C5 C6 1.396(3) . ? C6 C7 1.392(3) . ? C7 H7 0.9500 . ? C7 C8 1.385(3) . ? C9 C10 1.382(3) . ? C9 C14 1.397(3) . ? C10 H10 0.9500 . ? C10 C11 1.392(3) . ? C11 C12 1.401(3) . ? C12 C13 1.396(3) . ? C13 H13 0.9500 . ? C13 C14 1.384(3) . ? C15 C16 1.383(3) . ? C15 C20 1.395(3) . ? C16 H16 0.9500 . ? C16 C17 1.390(3) . ? C17 C18 1.396(3) . ? C18 C19 1.390(3) . ? C19 H19 0.9500 . ? C19 C20 1.384(3) . ? O7 C21 1.421(3) . ? O7 C22 1.438(3) . ? C21 H21A 0.9900 . ? C21 H21B 0.9900 . ? C21 C22 1.492(4) 2_567 ? C22 C21 1.492(4) 2_567 ? C22 H22A 0.9900 . ? C22 H22B 0.9900 . ? O8 C23 1.438(3) . ? O8 C26 1.436(3) . ? O9 C24 1.432(3) . ? O9 C25 1.426(3) . ? C23 H23A 0.9900 . ? C23 H23B 0.9900 . ? C23 C24 1.498(4) . ? C24 H24A 0.9900 . ? C24 H24B 0.9900 . ? C25 H25A 0.9900 . ? C25 H25B 0.9900 . ? C25 C26 1.505(4) . ? C26 H26A 0.9900 . ? C26 H26B 0.9900 . ? O10 C27 1.417(3) . ? O10 C30 1.416(3) . ? O11 C28 1.414(3) . ? O11 C29 1.418(3) . ? C27 H27A 0.9900 . ? C27 H27B 0.9900 . ? C27 C28 1.471(4) . ? C28 H28A 0.9900 . ? C28 H28B 0.9900 . ? C29 H29A 0.9900 . ? C29 H29B 0.9900 . ? C29 C30 1.482(4) . ? C30 H30A 0.9900 . ? C30 H30B 0.9900 . ? O12 C31 1.429(3) . ? O12 C34 1.441(3) . ? O13 C32 1.418(3) . ? O13 C33 1.419(3) . ? C31 H31A 0.9900 . ? C31 H31B 0.9900 . ? C31 C32 1.499(4) . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C33 H33A 0.9900 . ? C33 H33B 0.9900 . ? C33 C34 1.508(4) . ? C34 H34A 0.9900 . ? C34 H34B 0.9900 . ? O14 C35A 1.458(8) . ? O14 C37 1.420(10) . ? O14 C37A 1.439(10) . ? O14 C35 1.397(8) . ? O15 C36 1.468(12) . ? O15 C38A 1.486(7) . ? O15 C38 1.355(8) . ? O15 C36A 1.381(12) . ? C35A H35C 0.9900 . ? C35A H35D 0.9900 . ? C35A C36A 1.500(14) . ? C36 H36A 0.9900 . ? C36 H36B 0.9900 . ? C36 C35 1.499(13) . ? C37 H37A 0.9900 . ? C37 H37B 0.9900 . ? C37 C38 1.480(12) . ? C38A H38C 0.9900 . ? C38A H38D 0.9900 . ? C38A C37A 1.498(12) . ? C38 H38A 0.9900 . ? C38 H38B 0.9900 . ? C37A H37C 0.9900 . ? C37A H37D 0.9900 . ? C36A H36C 0.9900 . ? C36A H36D 0.9900 . ? C35 H35A 0.9900 . ? C35 H35B 0.9900 . ? 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 C5 O1 H1 109.5 . . ? C6 O2 H2 109.5 . . ? C11 O3 H3 109.5 . . ? C12 O4 H4 109.5 . . ? C17 O5 H5 109.5 . . ? C18 O6 H6 109.5 . . ? C8 C1 H1A 113.1 . . ? C8 C1 C15 105.14(17) . . ? C14 C1 H1A 113.1 . . ? C14 C1 C8 105.43(17) . . ? C14 C1 C15 106.11(17) . . ? C15 C1 H1A 113.1 . . ? C3 C2 H2A 113.1 . . ? C9 C2 H2A 113.1 . . ? C9 C2 C3 105.58(17) . . ? C20 C2 H2A 113.1 . . ? C20 C2 C3 104.96(17) . . ? C20 C2 C9 106.25(17) . . ? C4 C3 C2 126.31(19) . . ? C4 C3 C8 120.4(2) . . ? C8 C3 C2 113.25(19) . . ? C3 C4 H4A 120.2 . . ? C3 C4 C5 119.51(19) . . ? C5 C4 H4A 120.2 . . ? O1 C5 C4 123.33(19) . . ? O1 C5 C6 116.61(19) . . ? C4 C5 C6 120.0(2) . . ? O2 C6 C5 120.3(2) . . ? O2 C6 C7 119.00(18) . . ? C7 C6 C5 120.7(2) . . ? C6 C7 H7 120.5 . . ? C8 C7 C6 119.06(19) . . ? C8 C7 H7 120.5 . . ? C3 C8 C1 112.86(18) . . ? C7 C8 C1 126.88(19) . . ? C7 C8 C3 120.3(2) . . ? C10 C9 C2 126.32(19) . . ? C10 C9 C14 120.4(2) . . ? C14 C9 C2 113.26(19) . . ? C9 C10 H10 120.0 . . ? C9 C10 C11 120.0(2) . . ? C11 C10 H10 120.0 . . ? O3 C11 C10 122.2(2) . . ? O3 C11 C12 118.0(2) . . ? C10 C11 C12 119.8(2) . . ? O4 C12 C11 117.6(2) . . ? O4 C12 C13 122.6(2) . . ? C13 C12 C11 119.8(2) . . ? C12 C13 H13 120.0 . . ? C14 C13 C12 120.1(2) . . ? C14 C13 H13 120.0 . . ? C9 C14 C1 113.06(19) . . ? C13 C14 C1 127.08(19) . . ? C13 C14 C9 119.8(2) . . ? C16 C15 C1 127.01(19) . . ? C16 C15 C20 119.94(19) . . ? C20 C15 C1 112.97(18) . . ? C15 C16 H16 120.1 . . ? C15 C16 C17 119.83(19) . . ? C17 C16 H16 120.1 . . ? O5 C17 C16 123.53(19) . . ? O5 C17 C18 116.48(19) . . ? C16 C17 C18 120.0(2) . . ? O6 C18 C17 121.31(19) . . ? O6 C18 C19 118.42(19) . . ? C19 C18 C17 120.3(2) . . ? C18 C19 H19 120.3 . . ? C20 C19 C18 119.3(2) . . ? C20 C19 H19 120.3 . . ? C15 C20 C2 113.38(18) . . ? C19 C20 C2 125.84(19) . . ? C19 C20 C15 120.7(2) . . ? C21 O7 C22 110.6(2) . . ? O7 C21 H21A 109.7 . . ? O7 C21 H21B 109.7 . . ? O7 C21 C22 109.9(2) . 2_567 ? H21A C21 H21B 108.2 . . ? C22 C21 H21A 109.7 2_567 . ? C22 C21 H21B 109.7 2_567 . ? O7 C22 C21 110.1(2) . 2_567 ? O7 C22 H22A 109.6 . . ? O7 C22 H22B 109.6 . . ? C21 C22 H22A 109.6 2_567 . ? C21 C22 H22B 109.6 2_567 . ? H22A C22 H22B 108.2 . . ? C26 O8 C23 109.56(18) . . ? C25 O9 C24 109.02(18) . . ? O8 C23 H23A 109.4 . . ? O8 C23 H23B 109.4 . . ? O8 C23 C24 111.0(2) . . ? H23A C23 H23B 108.0 . . ? C24 C23 H23A 109.4 . . ? C24 C23 H23B 109.4 . . ? O9 C24 C23 111.2(2) . . ? O9 C24 H24A 109.4 . . ? O9 C24 H24B 109.4 . . ? C23 C24 H24A 109.4 . . ? C23 C24 H24B 109.4 . . ? H24A C24 H24B 108.0 . . ? O9 C25 H25A 109.4 . . ? O9 C25 H25B 109.4 . . ? O9 C25 C26 111.4(2) . . ? H25A C25 H25B 108.0 . . ? C26 C25 H25A 109.4 . . ? C26 C25 H25B 109.4 . . ? O8 C26 C25 110.20(19) . . ? O8 C26 H26A 109.6 . . ? O8 C26 H26B 109.6 . . ? C25 C26 H26A 109.6 . . ? C25 C26 H26B 109.6 . . ? H26A C26 H26B 108.1 . . ? C30 O10 C27 110.6(2) . . ? C28 O11 C29 112.5(2) . . ? O10 C27 H27A 109.2 . . ? O10 C27 H27B 109.2 . . ? O10 C27 C28 111.8(2) . . ? H27A C27 H27B 107.9 . . ? C28 C27 H27A 109.2 . . ? C28 C27 H27B 109.2 . . ? O11 C28 C27 112.1(2) . . ? O11 C28 H28A 109.2 . . ? O11 C28 H28B 109.2 . . ? C27 C28 H28A 109.2 . . ? C27 C28 H28B 109.2 . . ? H28A C28 H28B 107.9 . . ? O11 C29 H29A 109.2 . . ? O11 C29 H29B 109.2 . . ? O11 C29 C30 112.0(2) . . ? H29A C29 H29B 107.9 . . ? C30 C29 H29A 109.2 . . ? C30 C29 H29B 109.2 . . ? O10 C30 C29 111.8(2) . . ? O10 C30 H30A 109.3 . . ? O10 C30 H30B 109.3 . . ? C29 C30 H30A 109.3 . . ? C29 C30 H30B 109.3 . . ? H30A C30 H30B 107.9 . . ? C31 O12 C34 109.98(18) . . ? C32 O13 C33 109.9(2) . . ? O12 C31 H31A 109.6 . . ? O12 C31 H31B 109.6 . . ? O12 C31 C32 110.5(2) . . ? H31A C31 H31B 108.1 . . ? C32 C31 H31A 109.6 . . ? C32 C31 H31B 109.6 . . ? O13 C32 C31 110.9(2) . . ? O13 C32 H32A 109.5 . . ? O13 C32 H32B 109.5 . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 108.0 . . ? O13 C33 H33A 109.4 . . ? O13 C33 H33B 109.4 . . ? O13 C33 C34 111.1(2) . . ? H33A C33 H33B 108.0 . . ? C34 C33 H33A 109.4 . . ? C34 C33 H33B 109.4 . . ? O12 C34 C33 110.1(2) . . ? O12 C34 H34A 109.6 . . ? O12 C34 H34B 109.6 . . ? C33 C34 H34A 109.6 . . ? C33 C34 H34B 109.6 . . ? H34A C34 H34B 108.2 . . ? C37A O14 C35A 107.3(5) . . ? C35 O14 C37 113.8(5) . . ? C38 O15 C36 110.1(6) . . ? C36A O15 C38A 110.5(6) . . ? O14 C35A H35C 110.1 . . ? O14 C35A H35D 110.1 . . ? O14 C35A C36A 107.8(6) . . ? H35C C35A H35D 108.5 . . ? C36A C35A H35C 110.1 . . ? C36A C35A H35D 110.1 . . ? O15 C36 H36A 109.5 . . ? O15 C36 H36B 109.5 . . ? O15 C36 C35 110.8(7) . . ? H36A C36 H36B 108.1 . . ? C35 C36 H36A 109.5 . . ? C35 C36 H36B 109.5 . . ? O14 C37 H37A 109.4 . . ? O14 C37 H37B 109.4 . . ? O14 C37 C38 111.2(7) . . ? H37A C37 H37B 108.0 . . ? C38 C37 H37A 109.4 . . ? C38 C37 H37B 109.4 . . ? O15 C38A H38C 110.0 . . ? O15 C38A H38D 110.0 . . ? O15 C38A C37A 108.3(6) . . ? H38C C38A H38D 108.4 . . ? C37A C38A H38C 110.0 . . ? C37A C38A H38D 110.0 . . ? O15 C38 C37 113.7(6) . . ? O15 C38 H38A 108.8 . . ? O15 C38 H38B 108.8 . . ? C37 C38 H38A 108.8 . . ? C37 C38 H38B 108.8 . . ? H38A C38 H38B 107.7 . . ? O14 C37A C38A 109.1(6) . . ? O14 C37A H37C 109.9 . . ? O14 C37A H37D 109.9 . . ? C38A C37A H37C 109.9 . . ? C38A C37A H37D 109.9 . . ? H37C C37A H37D 108.3 . . ? O15 C36A C35A 109.8(8) . . ? O15 C36A H36C 109.7 . . ? O15 C36A H36D 109.7 . . ? C35A C36A H36C 109.7 . . ? C35A C36A H36D 109.7 . . ? H36C C36A H36D 108.2 . . ? O14 C35 C36 111.9(7) . . ? O14 C35 H35A 109.2 . . ? O14 C35 H35B 109.2 . . ? C36 C35 H35A 109.2 . . ? C36 C35 H35B 109.2 . . ? H35A C35 H35B 107.9 . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O1 H1 O12 0.84 1.90 2.735(2) 172.1 . O2 H2 O8 0.84 1.92 2.703(2) 155.7 . O3 H3 O6 0.84 1.96 2.800(2) 177.9 2_657 O4 H4 O11 0.84 1.92 2.762(2) 175.1 . O5 H5 O2 0.84 1.93 2.764(2) 177.4 2_666 O6 H6 O5 0.84 2.31 2.725(2) 110.6 . O6 H6 O7 0.84 1.85 2.615(2) 151.6 . C24 H24A O13 0.99 2.32 3.310(3) 173.7 2_556 C25 H25B O15 0.99 2.53 3.231(3) 127.7 . C33 H33B O3 0.99 2.61 3.579(3) 166.4 1_455 C36A H36C O2 0.99 2.89 3.337(12) 108.3 2_665 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 O1 C5 C6 O2 0.1(3) . . . . ? O1 C5 C6 C7 -178.49(19) . . . . ? O2 C6 C7 C8 -178.32(19) . . . . ? O3 C11 C12 O4 0.2(3) . . . . ? O3 C11 C12 C13 -179.4(2) . . . . ? O4 C12 C13 C14 -178.1(2) . . . . ? O5 C17 C18 O6 -0.7(3) . . . . ? O5 C17 C18 C19 179.4(2) . . . . ? O6 C18 C19 C20 179.9(2) . . . . ? C1 C15 C16 C17 176.5(2) . . . . ? C1 C15 C20 C2 0.0(3) . . . . ? C1 C15 C20 C19 -176.6(2) . . . . ? C2 C3 C4 C5 -178.0(2) . . . . ? C2 C3 C8 C1 -0.6(3) . . . . ? C2 C3 C8 C7 178.92(19) . . . . ? C2 C9 C10 C11 -179.7(2) . . . . ? C2 C9 C14 C1 -0.3(3) . . . . ? C2 C9 C14 C13 -179.10(19) . . . . ? C3 C2 C9 C10 -122.6(2) . . . . ? C3 C2 C9 C14 56.0(2) . . . . ? C3 C2 C20 C15 -56.3(2) . . . . ? C3 C2 C20 C19 120.1(2) . . . . ? C3 C4 C5 O1 178.2(2) . . . . ? C3 C4 C5 C6 -0.5(3) . . . . ? C4 C3 C8 C1 -178.95(19) . . . . ? C4 C3 C8 C7 0.6(3) . . . . ? C4 C5 C6 O2 178.96(19) . . . . ? C4 C5 C6 C7 0.3(3) . . . . ? C5 C6 C7 C8 0.3(3) . . . . ? C6 C7 C8 C1 178.7(2) . . . . ? C6 C7 C8 C3 -0.8(3) . . . . ? C8 C1 C14 C9 -55.8(2) . . . . ? C8 C1 C14 C13 122.9(2) . . . . ? C8 C1 C15 C16 -120.5(2) . . . . ? C8 C1 C15 C20 56.1(2) . . . . ? C8 C3 C4 C5 0.1(3) . . . . ? C9 C2 C3 C4 122.8(2) . . . . ? C9 C2 C3 C8 -55.4(2) . . . . ? C9 C2 C20 C15 55.3(2) . . . . ? C9 C2 C20 C19 -128.4(2) . . . . ? C9 C10 C11 O3 177.8(2) . . . . ? C9 C10 C11 C12 -1.6(3) . . . . ? C10 C9 C14 C1 178.41(19) . . . . ? C10 C9 C14 C13 -0.4(3) . . . . ? C10 C11 C12 O4 179.6(2) . . . . ? C10 C11 C12 C13 0.0(3) . . . . ? C11 C12 C13 C14 1.4(3) . . . . ? C12 C13 C14 C1 -179.8(2) . . . . ? C12 C13 C14 C9 -1.2(3) . . . . ? C14 C1 C8 C3 56.3(2) . . . . ? C14 C1 C8 C7 -123.2(2) . . . . ? C14 C1 C15 C16 128.1(2) . . . . ? C14 C1 C15 C20 -55.3(2) . . . . ? C14 C9 C10 C11 1.8(3) . . . . ? C15 C1 C8 C3 -55.6(2) . . . . ? C15 C1 C8 C7 124.9(2) . . . . ? C15 C1 C14 C9 55.4(2) . . . . ? C15 C1 C14 C13 -125.9(2) . . . . ? C15 C16 C17 O5 -179.2(2) . . . . ? C15 C16 C17 C18 -0.5(3) . . . . ? C16 C15 C20 C2 176.87(19) . . . . ? C16 C15 C20 C19 0.3(3) . . . . ? C16 C17 C18 O6 -179.5(2) . . . . ? C16 C17 C18 C19 0.7(3) . . . . ? C17 C18 C19 C20 -0.3(3) . . . . ? C18 C19 C20 C2 -176.3(2) . . . . ? C18 C19 C20 C15 -0.2(3) . . . . ? C20 C2 C3 C4 -125.2(2) . . . . ? C20 C2 C3 C8 56.6(2) . . . . ? C20 C2 C9 C10 126.3(2) . . . . ? C20 C2 C9 C14 -55.1(2) . . . . ? C20 C15 C16 C17 0.1(3) . . . . ? C21 O7 C22 C21 -58.4(3) . . . 2_567 ? C22 O7 C21 C22 58.3(4) . . . 2_567 ? O8 C23 C24 O9 57.7(3) . . . . ? O9 C25 C26 O8 -58.9(3) . . . . ? C23 O8 C26 C25 57.1(3) . . . . ? C24 O9 C25 C26 58.0(3) . . . . ? C25 O9 C24 C23 -57.3(3) . . . . ? C26 O8 C23 C24 -56.9(3) . . . . ? O10 C27 C28 O11 -54.3(4) . . . . ? O11 C29 C30 O10 53.3(4) . . . . ? C27 O10 C30 C29 -55.6(3) . . . . ? C28 O11 C29 C30 -51.1(4) . . . . ? C29 O11 C28 C27 51.6(4) . . . . ? C30 O10 C27 C28 56.2(3) . . . . ? O12 C31 C32 O13 58.4(3) . . . . ? O13 C33 C34 O12 -57.3(3) . . . . ? C31 O12 C34 C33 56.7(3) . . . . ? C32 O13 C33 C34 57.7(3) . . . . ? C33 O13 C32 C31 -58.1(3) . . . . ? C34 O12 C31 C32 -57.4(3) . . . . ? O14 C35A C36A O15 -63.3(7) . . . . ? O14 C37 C38 O15 -54.5(8) . . . . ? O15 C36 C35 O14 52.2(8) . . . . ? O15 C38A C37A O14 59.5(7) . . . . ? C35A O14 C37A C38A -63.7(7) . . . . ? C36 O15 C38 C37 57.0(7) . . . . ? C37 O14 C35 C36 -50.7(7) . . . . ? C38A O15 C36A C35A 60.2(7) . . . . ? C38 O15 C36 C35 -55.4(8) . . . . ? C37A O14 C35A C36A 63.9(7) . . . . ? C36A O15 C38A C37A -58.2(7) . . . . ? C35 O14 C37 C38 50.3(7) . . . . ? _shelx_res_file ; jw18482.res created by SHELXL-2014/7 TITL jw18482_a.res in P-1 REM Old TITL JW18482 in P-1 #2 REM SHELXT solution in P-1 REM R1 0.211, Rweak 0.020, Alpha 0.048, Orientation as input REM Formula found by SHELXT: C42 O11 REM HTAB C35A O2_$5 CELL 1.34139 11.6237 13.3004 13.6633 62.625 81.097 82.543 ZERR 2 0.0009 0.001 0.001 0.003 0.004 0.004 LATT 1 SFAC C H O DISP C 0.014 0.007 57.748 DISP H -0 0 0.648 DISP O 0.039 0.025 193.954 UNIT 76 100 30 EQIV $1 1-X,-Y,2-Z EQIV $2 1-X,1-Y,1-Z EQIV $3 -X,-Y,1-Z EQIV $4 -1+X,+Y,+Z EQIV $5 1-X,1-Y,-Z SIMU O14 > C35A EADP C38 C38A EADP C37 C37A EADP C36 C36A EADP C35 C35A L.S. 15 PLAN 10 SIZE 0.07 0.08 0.12 TEMP -173.15 HTAB O1 O12 HTAB O2 O8 HTAB O3 O6_$1 HTAB O4 O11 HTAB O5 O2_$2 HTAB O6 O5 HTAB O6 O7 HTAB C24 O13_$3 HTAB C25 O15 HTAB C33 O3_$4 HTAB C36A O2_$5 BOND $H LIST 4 MORE -1 CONF HTAB fmap 2 acta OMIT -1 1 0 OMIT 1 2 0 OMIT -2 2 2 OMIT 1 1 0 OMIT 0 0 1 OMIT -2 5 2 OMIT 0 3 0 OMIT 1 -2 5 OMIT -1 -2 1 OMIT 0 -2 1 OMIT 0 1 0 OMIT 4 0 2 OMIT -1 2 3 OMIT 4 1 1 OMIT 3 4 2 OMIT 0 1 2 OMIT 1 -1 1 OMIT -2 -1 2 OMIT 4 0 1 OMIT 1 6 3 OMIT 1 0 2 OMIT 1 1 2 OMIT 2 1 1 OMIT 3 8 6 OMIT 3 4 0 REM REM REM WGHT 0.050200 1.951500 FVAR 0.48783 0.51239 O1 3 0.423667 0.129250 0.413036 11.00000 0.04063 0.02799 = 0.03092 -0.00840 -0.00393 -0.00924 AFIX 147 H1 2 0.376054 0.080916 0.455396 11.00000 -1.50000 AFIX 0 O2 3 0.535103 0.323384 0.297394 11.00000 0.03922 0.02719 = 0.02465 -0.00491 -0.00343 -0.00777 AFIX 147 H2 2 0.480534 0.304318 0.277009 11.00000 -1.50000 AFIX 0 O3 3 0.900629 -0.106895 0.909886 11.00000 0.03525 0.03063 = 0.04146 -0.00245 -0.00039 -0.00038 AFIX 147 H3 2 0.855385 -0.158939 0.948140 11.00000 -1.50000 AFIX 0 O4 3 1.012527 0.084587 0.795274 11.00000 0.03330 0.03727 = 0.05291 -0.01192 -0.00095 -0.00359 AFIX 147 H4 2 1.035784 0.150458 0.765288 11.00000 -1.50000 AFIX 0 O5 3 0.353222 0.482713 0.848023 11.00000 0.03995 0.02488 = 0.03358 -0.01007 0.00572 -0.00319 AFIX 147 H5 2 0.389167 0.540474 0.804309 11.00000 -1.50000 AFIX 0 O6 3 0.245372 0.284529 0.962509 11.00000 0.03685 0.02720 = 0.03311 -0.00673 0.00828 -0.00159 AFIX 147 H6 2 0.216766 0.350076 0.950097 11.00000 -1.50000 AFIX 0 C1 1 0.634858 0.294498 0.652704 11.00000 0.03082 0.02060 = 0.02449 -0.00568 0.00163 -0.00655 AFIX 13 H1A 2 0.676041 0.366186 0.609567 11.00000 -1.20000 AFIX 0 C2 1 0.527868 0.108431 0.764961 11.00000 0.03118 0.02153 = 0.02465 -0.00502 0.00049 -0.00443 AFIX 13 H2A 2 0.486722 0.036741 0.808289 11.00000 -1.20000 AFIX 0 C3 1 0.521043 0.159338 0.640631 11.00000 0.02754 0.02102 = 0.02555 -0.00566 -0.00088 -0.00020 C4 1 0.467324 0.114470 0.587169 11.00000 0.02570 0.01994 = 0.03004 -0.00593 -0.00020 -0.00276 AFIX 43 H4A 2 0.427825 0.046659 0.628736 11.00000 -1.20000 AFIX 0 C5 1 0.471625 0.169237 0.472577 11.00000 0.02767 0.02365 = 0.03114 -0.01013 -0.00516 -0.00062 C6 1 0.528928 0.269354 0.411904 11.00000 0.02989 0.02199 = 0.02440 -0.00498 -0.00239 0.00110 C7 1 0.582758 0.315021 0.465199 11.00000 0.02670 0.01916 = 0.02789 -0.00525 -0.00069 -0.00219 AFIX 43 H7 2 0.621346 0.383383 0.423669 11.00000 -1.20000 AFIX 0 C8 1 0.579273 0.259395 0.579627 11.00000 0.02653 0.02149 = 0.02642 -0.00753 -0.00048 -0.00025 C9 1 0.657529 0.092621 0.778754 11.00000 0.03103 0.02600 = 0.02195 -0.00932 -0.00002 -0.00310 C10 1 0.718376 -0.008104 0.840850 11.00000 0.03458 0.02427 = 0.02200 -0.00570 0.00340 -0.00448 AFIX 43 H10 2 0.679067 -0.076269 0.879791 11.00000 -1.20000 AFIX 0 C11 1 0.837219 -0.009767 0.846388 11.00000 0.03418 0.02813 = 0.02505 -0.00745 -0.00102 0.00063 C12 1 0.895430 0.090405 0.786550 11.00000 0.02941 0.03499 = 0.03031 -0.01312 0.00020 -0.00215 C13 1 0.833914 0.191243 0.721801 11.00000 0.03250 0.02778 = 0.02749 -0.00969 0.00282 -0.00700 AFIX 43 H13 2 0.873548 0.258924 0.679858 11.00000 -1.20000 AFIX 0 C14 1 0.715209 0.192737 0.718638 11.00000 0.03345 0.02390 = 0.02252 -0.00836 0.00084 -0.00302 C15 1 0.534862 0.302642 0.736467 11.00000 0.02740 0.02482 = 0.02129 -0.00492 -0.00328 -0.00274 C16 1 0.495387 0.397328 0.752297 11.00000 0.02971 0.02243 = 0.02335 -0.00439 -0.00249 -0.00491 AFIX 43 H16 2 0.534104 0.465684 0.711412 11.00000 -1.20000 AFIX 0 C17 1 0.398884 0.392205 0.828210 11.00000 0.03275 0.02407 = 0.02444 -0.00715 -0.00385 0.00073 C18 1 0.341534 0.291922 0.887521 11.00000 0.02938 0.02765 = 0.02126 -0.00423 -0.00066 0.00077 C19 1 0.381213 0.196650 0.871862 11.00000 0.03121 0.02255 = 0.02378 -0.00171 -0.00103 -0.00356 AFIX 43 H19 2 0.342495 0.128262 0.912425 11.00000 -1.20000 AFIX 0 C20 1 0.477733 0.202442 0.796551 11.00000 0.02898 0.02384 = 0.02315 -0.00621 -0.00367 -0.00022 O7 3 0.092912 0.449579 0.956579 11.00000 0.03930 0.03961 = 0.07105 -0.02412 0.00614 0.00402 C21 1 0.078579 0.569458 0.914650 11.00000 0.04286 0.03950 = 0.05388 -0.01098 -0.00006 0.00361 AFIX 23 H21A 2 0.031948 0.601901 0.850821 11.00000 -1.20000 H21B 2 0.155852 0.601908 0.888650 11.00000 -1.20000 AFIX 0 C22 1 -0.018277 0.400447 0.996749 11.00000 0.04070 0.04345 = 0.07241 -0.02631 0.00252 0.00160 AFIX 23 H22A 2 -0.006746 0.316905 1.026758 11.00000 -1.20000 H22B 2 -0.067209 0.428924 0.934876 11.00000 -1.20000 AFIX 0 O8 3 0.356406 0.327856 0.189860 11.00000 0.04066 0.03488 = 0.03134 -0.00850 -0.00428 -0.00267 O9 3 0.146166 0.408738 0.275338 11.00000 0.03567 0.03738 = 0.04936 -0.01361 -0.00168 -0.00421 C23 1 0.253607 0.264769 0.229669 11.00000 0.04778 0.03555 = 0.03915 -0.01385 -0.01100 -0.00520 AFIX 23 H23A 2 0.276767 0.182557 0.261083 11.00000 -1.20000 H23B 2 0.207918 0.284666 0.167048 11.00000 -1.20000 AFIX 0 C24 1 0.179350 0.289966 0.316707 11.00000 0.03903 0.03446 = 0.03909 -0.00853 -0.00230 -0.00904 AFIX 23 H24A 2 0.108386 0.246971 0.341411 11.00000 -1.20000 H24B 2 0.223118 0.264848 0.381618 11.00000 -1.20000 AFIX 0 C25 1 0.248826 0.470264 0.236883 11.00000 0.03972 0.03314 = 0.04309 -0.01068 -0.00311 -0.00499 AFIX 23 H25A 2 0.294643 0.448540 0.299829 11.00000 -1.20000 H25B 2 0.226364 0.552532 0.206973 11.00000 -1.20000 AFIX 0 C26 1 0.323127 0.446918 0.148121 11.00000 0.04043 0.03280 = 0.03359 -0.00322 -0.00544 -0.00412 AFIX 23 H26A 2 0.278961 0.472078 0.083455 11.00000 -1.20000 H26B 2 0.393879 0.490214 0.123390 11.00000 -1.20000 AFIX 0 O10 3 1.206774 0.500432 0.561065 11.00000 0.05892 0.04098 = 0.06014 -0.01218 0.01648 -0.01438 O11 3 1.102408 0.295547 0.695797 11.00000 0.04247 0.03569 = 0.07273 -0.01621 0.01268 -0.00873 C27 1 1.266487 0.394861 0.577627 11.00000 0.04421 0.04936 = 0.05163 -0.01989 0.01057 -0.00834 AFIX 23 H27A 2 1.315709 0.369342 0.638906 11.00000 -1.20000 H27B 2 1.318490 0.404667 0.509661 11.00000 -1.20000 AFIX 0 C28 1 1.185210 0.307485 0.604290 11.00000 0.05446 0.05543 = 0.07486 -0.03717 0.01247 -0.00997 AFIX 23 H28A 2 1.143822 0.327927 0.538865 11.00000 -1.20000 H28B 2 1.230061 0.233907 0.621116 11.00000 -1.20000 AFIX 0 C29 1 1.044408 0.400587 0.683673 11.00000 0.04819 0.04467 = 0.07308 -0.02547 0.01326 -0.00803 AFIX 23 H29A 2 0.995928 0.389169 0.753806 11.00000 -1.20000 H29B 2 0.991796 0.427674 0.624765 11.00000 -1.20000 AFIX 0 C30 1 1.127507 0.488098 0.655041 11.00000 0.04866 0.04333 = 0.06041 -0.02270 0.00718 -0.01009 AFIX 23 H30A 2 1.083420 0.561682 0.639992 11.00000 -1.20000 H30B 2 1.171666 0.466781 0.718971 11.00000 -1.20000 AFIX 0 O12 3 0.253901 -0.017247 0.536316 11.00000 0.03745 0.04252 = 0.04097 -0.02084 0.00547 -0.01284 O13 3 0.052888 -0.142256 0.617402 11.00000 0.03615 0.04999 = 0.05695 -0.02863 0.00961 -0.01297 C31 1 0.202197 -0.051703 0.469198 11.00000 0.04018 0.04766 = 0.04317 -0.02500 0.00286 -0.00928 AFIX 23 H31A 2 0.263530 -0.064983 0.416669 11.00000 -1.20000 H31B 2 0.145974 0.009406 0.425579 11.00000 -1.20000 AFIX 0 C32 1 0.140438 -0.158169 0.540134 11.00000 0.03840 0.04999 = 0.06358 -0.03541 0.00721 -0.01033 AFIX 23 H32A 2 0.104341 -0.180346 0.492489 11.00000 -1.20000 H32B 2 0.197573 -0.220341 0.580455 11.00000 -1.20000 AFIX 0 C33 1 0.103393 -0.108435 0.684879 11.00000 0.04899 0.04870 = 0.03884 -0.01698 0.00526 -0.01133 AFIX 23 H33A 2 0.159320 -0.169778 0.728674 11.00000 -1.20000 H33B 2 0.041474 -0.095749 0.737329 11.00000 -1.20000 AFIX 0 C34 1 0.165825 -0.001176 0.615448 11.00000 0.04758 0.04347 = 0.04030 -0.02224 0.00701 -0.01196 AFIX 23 H34A 2 0.109038 0.061814 0.575903 11.00000 -1.20000 H34B 2 0.202628 0.019245 0.663982 11.00000 -1.20000 AFIX 0 O14 3 0.328066 0.924221 -0.143229 11.00000 0.04741 0.03242 = 0.06318 -0.01116 0.01174 -0.00799 O15 3 0.269419 0.704873 0.010763 11.00000 0.08606 0.03146 = 0.05680 -0.00843 0.02471 -0.01010 PART 2 C35A 1 0.412518 0.826432 -0.113549 21.00000 0.04056 0.03654 = 0.05511 -0.01666 0.00306 -0.00704 AFIX 23 H35C 2 0.452402 0.816826 -0.050512 21.00000 -1.20000 H35D 2 0.472104 0.837459 -0.177195 21.00000 -1.20000 AFIX 0 PART 0 PART 1 C36 1 0.385433 0.725451 -0.052281 21.00000 0.06446 0.03895 = 0.03323 -0.00433 0.00045 0.00746 AFIX 23 H36A 2 0.414271 0.660249 -0.067738 21.00000 -1.20000 H36B 2 0.440569 0.732396 -0.007609 21.00000 -1.20000 AFIX 0 C37 1 0.218418 0.902861 -0.077541 21.00000 0.05115 0.04005 = 0.03933 -0.01545 0.00112 -0.00339 AFIX 23 H37A 2 0.160029 0.897358 -0.120191 21.00000 -1.20000 H37B 2 0.192051 0.966977 -0.059742 21.00000 -1.20000 AFIX 0 PART 0 PART 2 C38A 1 0.183705 0.804034 -0.011441 21.00000 0.04712 0.04343 = 0.03835 -0.01317 0.00100 -0.00359 AFIX 23 H38C 2 0.129331 0.790827 0.056048 21.00000 -1.20000 H38D 2 0.137643 0.815413 -0.071341 21.00000 -1.20000 AFIX 0 PART 0 PART 1 C38 1 0.225843 0.796425 0.026616 -21.00000 0.04712 0.04343 = 0.03835 -0.01317 0.00100 -0.00359 AFIX 23 H38A 2 0.275824 0.806576 0.073449 -21.00000 -1.20000 H38B 2 0.146861 0.781655 0.067440 -21.00000 -1.20000 AFIX 0 PART 0 PART 2 C37A 1 0.249405 0.906747 -0.045313 -21.00000 0.05115 0.04005 = 0.03933 -0.01545 0.00112 -0.00339 AFIX 23 H37C 2 0.194057 0.974105 -0.060579 -21.00000 -1.20000 H37D 2 0.293943 0.895840 0.015406 -21.00000 -1.20000 AFIX 0 C36A 1 0.347543 0.723651 -0.082083 -21.00000 0.06446 0.03895 = 0.03323 -0.00433 0.00045 0.00746 AFIX 23 H36C 2 0.305074 0.735227 -0.144311 -21.00000 -1.20000 H36D 2 0.403409 0.656615 -0.066576 -21.00000 -1.20000 AFIX 0 PART 0 PART 1 C35 1 0.380919 0.831765 -0.159424 -21.00000 0.04056 0.03654 = 0.05511 -0.01666 0.00306 -0.00704 AFIX 23 H35A 2 0.461254 0.848799 -0.196102 -21.00000 -1.20000 H35B 2 0.336799 0.819657 -0.209135 -21.00000 -1.20000 AFIX 0 HKLF 4 REM jw18482_a.res in P-1 REM R1 = 0.0671 for 5851 Fo > 4sig(Fo) and 0.1066 for all 8458 data REM 497 parameters refined using 6 restraints END WGHT 0.0500 1.9565 REM Instructions for potential hydrogen bonds HTAB O1 O12 HTAB O2 O8 HTAB O3 O6_$1 HTAB O4 O11 HTAB O5 O2_$2 HTAB O6 O5 HTAB O6 O7 HTAB C24 O13_$3 HTAB C25 O15 HTAB C33 O3_$4 REM Highest difference peak 0.375, deepest hole -0.298, 1-sigma level 0.058 Q1 1 0.3596 0.8948 -0.0649 11.00000 0.05 0.38 Q2 1 1.1026 0.3462 0.7454 11.00000 0.05 0.35 Q3 1 0.5176 0.1209 0.6197 11.00000 0.05 0.31 Q4 1 1.0602 0.5081 0.5973 11.00000 0.05 0.31 Q5 1 0.5929 0.0946 0.7675 11.00000 0.05 0.31 Q6 1 1.2047 0.4282 0.5036 11.00000 0.05 0.30 Q7 1 1.2561 0.4604 0.6330 11.00000 0.05 0.29 Q8 1 0.1000 -0.1858 0.6937 11.00000 0.05 0.27 Q9 1 0.5269 0.1255 0.6968 11.00000 0.05 0.27 Q10 1 0.7815 -0.0008 0.8245 11.00000 0.05 0.26 ; _shelx_res_checksum 25773 _shelx_hkl_file ; -1 0 0 490.05 32.60 -1 0 0 461.45 32.70 -1 0 0 471.05 32.70 1 0 0 434.86 32.60 1 0 0 471.85 32.70 -2 0 0 51.19 3.90 -2 0 0 62.99 3.90 -2 0 0 56.09 3.80 -2 0 0 54.59 4.00 -2 0 0 51.89 4.00 2 0 0 48.30 3.90 2 0 0 59.59 3.90 2 0 0 49.90 4.00 -3 0 0 538.45 42.80 -3 0 0 626.54 42.70 -3 0 0 678.03 42.70 -3 0 0 621.34 42.70 3 0 0 581.34 42.70 3 0 0 617.44 42.70 3 0 0 600.94 42.80 -4 0 0 2.00 0.40 -4 0 0 2.80 0.50 -4 0 0 2.00 0.40 -4 0 0 1.80 0.90 4 0 0 2.90 0.90 4 0 0 2.50 0.50 4 0 0 1.70 0.30 4 0 0 1.50 0.30 -5 0 0 149.49 11.20 -5 0 0 164.08 11.00 -5 0 0 169.08 11.00 -5 0 0 141.69 11.00 5 0 0 150.88 11.00 5 0 0 165.88 10.90 5 0 0 141.19 11.20 -6 0 0 11.40 1.40 -6 0 0 11.40 1.40 -6 0 0 12.90 1.70 -6 0 0 13.20 1.40 -6 0 0 17.30 2.20 -6 0 0 13.70 1.40 6 0 0 12.20 1.00 6 0 0 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55.39 3.90 2 2 0 58.79 3.80 2 2 0 49.80 3.80 2 2 0 53.99 3.80 -3 -2 0 20.60 1.80 -3 -2 0 26.50 1.90 -3 -2 0 23.90 1.90 -3 -2 0 25.20 1.80 -3 -2 0 25.40 2.10 3 2 0 25.60 2.00 3 2 0 20.50 1.80 3 2 0 26.50 1.80 -4 -2 0 139.69 10.50 -4 -2 0 140.69 10.40 -4 -2 0 153.58 10.70 -4 -2 0 140.49 10.50 -4 -2 0 158.48 10.50 4 2 0 147.89 10.60 4 2 0 137.89 10.40 4 2 0 166.28 10.50 -5 -2 0 590.74 42.00 -5 -2 0 587.44 42.00 -5 -2 0 591.04 42.00 -5 -2 0 612.44 42.00 -5 -2 0 563.14 42.00 -5 -2 0 646.74 42.20 5 2 0 631.14 43.00 5 2 0 533.05 42.10 5 2 0 628.44 41.90 -6 -2 0 84.79 6.30 -6 -2 0 90.59 6.50 -6 -2 0 83.49 6.60 -6 -2 0 85.59 6.00 -6 -2 0 78.09 6.00 6 2 0 80.49 6.10 6 2 0 73.69 6.10 6 2 0 79.89 5.90 6 2 0 80.19 6.70 6 2 0 78.99 5.80 6 2 0 89.49 5.90 -7 -2 0 1.70 0.90 -7 -2 0 2.40 0.80 -7 -2 0 4.70 1.70 -7 -2 0 2.00 1.60 7 2 0 2.40 1.80 7 2 0 2.20 0.40 7 2 0 3.20 1.00 7 2 0 1.70 0.50 -8 -2 0 5.60 1.30 -8 -2 0 4.20 1.00 -8 -2 0 8.50 2.30 -8 -2 0 5.40 1.90 8 2 0 4.20 0.60 8 2 0 5.80 1.20 8 2 0 6.80 2.10 8 2 0 7.10 1.30 8 2 0 4.80 0.80 -9 -2 0 21.50 2.20 -9 -2 0 23.60 3.20 -9 -2 0 16.10 2.80 -9 -2 0 20.40 3.00 9 2 0 17.70 1.80 9 2 0 20.90 2.00 9 2 0 23.10 3.60 9 2 0 23.10 2.40 9 2 0 23.10 2.40 -10 -2 0 7.50 1.40 -10 -2 0 7.00 1.80 -10 -2 0 6.40 2.30 10 2 0 10.30 1.80 10 2 0 5.80 2.70 -11 -2 0 47.20 4.10 -11 -2 0 38.80 5.20 11 2 0 52.89 4.10 11 2 0 42.90 5.30 11 2 0 50.39 4.30 -12 -2 0 1.10 2.50 -12 -2 0 0.70 1.50 12 2 0 1.10 1.40 12 2 0 3.00 1.70 12 2 0 4.70 3.20 12 2 0 7.00 2.50 -13 -2 0 4.30 2.90 -13 -2 0 1.40 3.60 13 2 0 -4.60 4.10 13 2 0 -2.10 2.50 -14 -2 0 -0.70 3.40 -14 -2 0 -5.20 4.90 14 2 0 5.70 3.60 14 2 0 4.80 8.20 14 -3 0 7.40 5.50 -14 3 0 5.50 2.40 -14 3 0 4.80 7.80 13 -3 0 13.40 5.80 13 -3 0 2.80 3.90 -13 3 0 8.60 2.90 -13 3 0 10.90 6.60 12 -3 0 5.90 2.50 12 -3 0 6.00 3.60 -12 3 0 4.10 1.70 -12 3 0 5.80 3.80 11 -3 0 29.40 3.20 -11 3 0 23.70 3.20 -11 3 0 17.40 4.20 10 -3 0 17.50 2.70 -10 3 0 22.70 2.30 -10 3 0 19.10 2.60 9 -3 0 3.10 1.40 9 -3 0 5.70 1.50 -9 3 0 5.70 2.20 -9 3 0 4.30 1.50 -9 3 0 3.30 1.10 -9 3 0 2.90 1.50 8 -3 0 130.69 10.00 8 -3 0 113.59 9.10 8 -3 0 120.29 9.20 -8 3 0 139.19 9.40 -8 3 0 142.49 9.50 -8 3 0 119.69 10.00 -8 3 0 132.19 9.60 7 -3 0 27.20 2.80 7 -3 0 23.10 2.10 7 -3 0 22.60 2.50 7 -3 0 22.30 2.00 -7 3 0 19.70 3.60 -7 3 0 26.50 2.50 -7 3 0 25.40 2.60 -7 3 0 30.00 2.80 -7 3 0 26.90 2.20 -7 3 0 29.60 2.40 6 -3 0 71.69 4.80 6 -3 0 53.49 5.00 6 -3 0 60.49 5.00 6 -3 0 59.09 4.80 -6 3 0 72.19 5.00 -6 3 0 73.59 4.90 -6 3 0 66.89 5.60 -6 3 0 73.99 5.10 -6 3 0 56.49 5.50 5 -3 0 65.69 5.40 5 -3 0 71.19 5.20 5 -3 0 72.79 5.30 -5 3 0 75.59 6.00 -5 3 0 82.19 6.40 -5 3 0 74.19 5.50 -5 3 0 68.79 5.40 -5 3 0 78.99 5.50 4 -3 0 6.60 0.60 4 -3 0 5.00 1.50 4 -3 0 6.20 0.80 4 -3 0 6.20 0.70 -4 3 0 6.70 1.10 -4 3 0 5.90 0.80 -4 3 0 4.90 0.70 -4 3 0 5.70 1.20 -4 3 0 6.80 1.10 -4 3 0 6.60 1.00 -4 3 0 7.30 1.00 3 -3 0 613.54 44.20 3 -3 0 614.24 44.30 3 -3 0 620.34 44.20 3 -3 0 572.84 44.40 -3 3 0 708.43 44.40 -3 3 0 667.93 44.30 -3 3 0 627.84 44.30 -3 3 0 574.04 44.20 -3 3 0 700.83 44.30 -3 3 0 609.74 44.20 2 -3 0 1201.78 84.69 2 -3 0 1285.57 84.59 2 -3 0 1148.79 84.79 2 -3 0 1181.18 84.69 -2 3 0 1217.28 84.69 -2 3 0 1152.78 84.59 -2 3 0 1239.58 84.59 -2 3 0 1234.78 84.69 1 -3 0 22.50 1.60 1 -3 0 20.50 1.60 1 -3 0 18.50 1.60 1 -3 0 22.00 1.60 1 -3 0 21.10 1.70 1 -3 0 20.90 2.00 -1 3 0 23.50 1.70 -1 3 0 21.50 1.60 -1 3 0 22.10 1.60 -1 3 0 21.10 1.70 0 -3 0 10.20 0.90 0 -3 0 9.70 0.70 0 -3 0 8.50 0.90 0 -3 0 9.70 0.80 0 -3 0 7.70 0.90 0 -3 0 9.00 0.70 0 3 0 10.20 0.70 0 3 0 7.40 0.90 0 3 0 8.30 0.80 0 3 0 8.80 0.70 -1 -3 0 66.79 4.30 -1 -3 0 53.29 4.30 -1 -3 0 54.59 4.30 -1 -3 0 55.39 4.30 -1 -3 0 55.59 4.40 -1 -3 0 62.69 4.30 1 3 0 65.19 4.40 1 3 0 69.49 4.30 1 3 0 60.39 4.30 -2 -3 0 22.50 1.60 -2 -3 0 17.30 1.60 -2 -3 0 20.90 1.60 -2 -3 0 19.20 1.70 -2 -3 0 19.60 1.50 2 3 0 22.50 1.50 2 3 0 18.20 1.70 2 3 0 21.90 1.50 2 3 0 20.50 1.60 2 3 0 21.20 1.50 -3 -3 0 163.48 11.50 -3 -3 0 166.48 11.60 -3 -3 0 153.88 11.50 -3 -3 0 143.39 11.50 3 3 0 145.19 11.40 3 3 0 165.78 11.50 3 3 0 176.28 11.40 3 3 0 182.58 11.40 -4 -3 0 399.96 26.30 -4 -3 0 333.47 26.20 -4 -3 0 376.86 26.40 -4 -3 0 361.06 26.20 -4 -3 0 345.87 26.20 4 3 0 375.96 26.30 4 3 0 400.46 26.20 4 3 0 420.06 26.20 4 3 0 343.27 26.20 -5 -3 0 34.20 2.60 -5 -3 0 36.90 2.70 -5 -3 0 34.70 2.70 -5 -3 0 35.10 3.20 -5 -3 0 31.40 2.70 5 3 0 32.10 2.80 5 3 0 40.00 2.60 5 3 0 39.90 3.70 5 3 0 33.50 2.50 5 3 0 28.10 2.80 5 3 0 34.30 3.70 5 3 0 35.80 2.50 -6 -3 0 180.98 12.20 -6 -3 0 156.18 11.80 -6 -3 0 159.78 11.80 -6 -3 0 167.58 12.20 6 3 0 167.68 12.40 6 3 0 170.28 11.60 6 3 0 155.78 13.40 6 3 0 172.88 11.70 6 3 0 169.48 11.70 6 3 0 152.18 11.90 6 3 0 162.68 11.90 6 3 0 168.28 11.70 -7 -3 0 25.60 2.20 -7 -3 0 21.60 2.90 -7 -3 0 21.80 2.00 -7 -3 0 22.90 3.30 -7 -3 0 22.30 3.10 7 3 0 21.60 3.20 7 3 0 21.00 4.20 7 3 0 22.30 1.60 7 3 0 21.20 2.20 7 3 0 19.50 1.90 7 3 0 19.70 1.70 7 3 0 22.00 2.20 -8 -3 0 110.29 8.20 -8 -3 0 112.19 10.00 -8 -3 0 101.09 7.50 -8 -3 0 95.99 7.50 8 3 0 103.79 8.30 8 3 0 106.29 7.50 8 3 0 90.89 7.20 8 3 0 101.09 7.60 8 3 0 98.39 7.30 -9 -3 0 1.30 1.00 -9 -3 0 3.30 1.90 -9 -3 0 2.80 2.00 9 3 0 2.00 0.80 9 3 0 3.00 1.10 9 3 0 5.00 2.30 9 3 0 4.10 1.10 -10 -3 0 5.50 2.40 -10 -3 0 5.40 1.40 -10 -3 0 7.50 1.80 10 3 0 6.40 1.40 10 3 0 7.80 1.40 10 3 0 5.10 2.60 -11 -3 0 13.00 1.90 -11 -3 0 6.30 2.30 -11 -3 0 9.70 2.80 11 3 0 16.00 3.20 11 3 0 9.80 2.10 11 3 0 7.40 3.20 -12 -3 0 20.70 2.80 -12 -3 0 21.10 4.50 -12 -3 0 30.00 3.90 12 3 0 18.40 3.30 12 3 0 21.90 2.80 12 3 0 22.10 4.20 12 3 0 22.80 3.00 -13 -3 0 -0.30 3.40 -13 -3 0 3.80 3.20 13 3 0 0.30 2.20 13 3 0 2.10 4.80 -14 -3 0 -3.10 3.30 -14 -3 0 5.20 7.50 14 3 0 4.70 5.60 14 3 0 5.60 2.70 14 3 0 -1.20 3.50 14 -4 0 9.70 5.10 14 -4 0 5.70 2.90 -14 4 0 9.00 5.40 -14 4 0 10.40 2.60 13 -4 0 18.00 6.00 -13 4 0 6.50 2.70 -13 4 0 1.60 6.40 12 -4 0 21.90 4.80 12 -4 0 21.20 4.50 -12 4 0 24.90 5.80 -12 4 0 27.60 3.50 11 -4 0 0.10 1.80 -11 4 0 1.10 2.80 -11 4 0 0.20 1.30 -11 4 0 0.10 1.30 10 -4 0 9.70 2.10 -10 4 0 10.80 3.00 -10 4 0 13.30 1.90 -10 4 0 15.20 2.00 9 -4 0 27.10 3.30 9 -4 0 34.00 3.50 -9 4 0 36.20 3.00 -9 4 0 28.50 4.40 8 -4 0 69.19 5.30 8 -4 0 54.29 4.60 8 -4 0 54.29 4.50 8 -4 0 64.39 4.90 -8 4 0 63.09 4.80 -8 4 0 55.59 5.70 -8 4 0 64.29 4.80 -8 4 0 62.99 5.20 7 -4 0 1.70 0.60 7 -4 0 0.60 0.50 7 -4 0 0.10 1.00 -7 4 0 1.10 1.10 -7 4 0 2.60 1.90 -7 4 0 1.80 0.80 -7 4 0 0.40 0.90 6 -4 0 36.80 2.80 6 -4 0 35.60 3.10 6 -4 0 36.10 2.70 -6 4 0 41.30 3.20 -6 4 0 36.60 4.60 -6 4 0 39.60 3.00 -6 4 0 32.50 3.90 -6 4 0 33.80 2.90 5 -4 0 4.10 0.70 5 -4 0 4.50 1.00 5 -4 0 1.20 1.00 5 -4 0 3.40 0.50 -5 4 0 4.50 0.80 -5 4 0 5.30 0.90 -5 4 0 5.50 1.10 -5 4 0 1.30 1.70 -5 4 0 3.70 2.00 -5 4 0 4.40 0.90 4 -4 0 25.00 1.80 4 -4 0 23.80 1.80 4 -4 0 24.70 2.20 -4 4 0 22.00 2.10 -4 4 0 28.40 2.20 -4 4 0 25.70 2.50 -4 4 0 25.40 1.90 -4 4 0 22.80 2.10 -4 4 0 21.60 1.80 3 -4 0 154.18 12.50 3 -4 0 174.08 12.20 3 -4 0 170.38 12.20 3 -4 0 175.58 12.10 3 -4 0 167.68 12.30 -3 4 0 178.38 12.20 -3 4 0 155.98 12.50 -3 4 0 159.18 12.20 -3 4 0 173.48 12.30 -3 4 0 191.68 12.20 -3 4 0 172.78 12.30 -3 4 0 203.68 13.60 2 -4 0 370.96 25.20 2 -4 0 327.37 25.50 2 -4 0 353.76 25.20 2 -4 0 369.56 25.20 2 -4 0 317.47 25.30 2 -4 0 335.77 25.30 -2 4 0 408.86 25.30 -2 4 0 350.86 25.20 -2 4 0 412.36 25.20 -2 4 0 340.27 25.30 -2 4 0 363.56 25.30 1 -4 0 132.19 8.90 1 -4 0 124.39 8.90 1 -4 0 118.69 9.00 1 -4 0 126.09 8.90 1 -4 0 122.49 8.90 1 -4 0 124.99 9.20 -1 4 0 122.79 8.90 -1 4 0 129.89 8.90 -1 4 0 124.29 9.00 -1 4 0 139.99 9.00 0 -4 0 0.90 0.20 0 -4 0 0.60 0.40 0 -4 0 1.00 0.30 0 -4 0 0.70 0.40 0 -4 0 0.50 0.40 0 -4 0 1.00 0.70 0 4 0 1.40 0.40 0 4 0 0.70 0.40 0 4 0 0.90 0.20 0 4 0 0.90 0.20 -1 -4 0 24.90 2.10 -1 -4 0 25.90 2.10 -1 -4 0 28.90 2.00 -1 -4 0 27.10 2.10 -1 -4 0 27.00 2.10 -1 -4 0 25.30 2.10 1 4 0 26.80 2.10 1 4 0 28.30 2.10 1 4 0 29.10 2.00 1 4 0 30.00 2.00 -2 -4 0 8781.82 597.04 2 4 0 8239.28 596.74 -3 -4 0 2.30 0.30 -3 -4 0 2.20 0.60 -3 -4 0 2.50 0.70 -3 -4 0 3.20 0.60 -3 -4 0 3.90 0.60 -3 -4 0 3.00 0.50 3 4 0 1.70 0.70 3 4 0 3.10 0.40 3 4 0 3.50 0.40 3 4 0 2.70 0.40 3 4 0 3.40 0.50 -4 -4 0 2.70 0.90 -4 -4 0 2.80 0.70 -4 -4 0 1.60 0.60 -4 -4 0 2.00 0.40 4 4 0 2.40 0.80 4 4 0 -0.40 2.10 4 4 0 2.60 1.50 4 4 0 2.40 0.40 4 4 0 3.30 0.40 4 4 0 3.70 0.50 4 4 0 2.80 0.40 -5 -4 0 266.87 19.00 -5 -4 0 246.08 18.90 -5 -4 0 253.57 19.00 -5 -4 0 275.77 19.20 5 4 0 304.67 18.90 5 4 0 277.77 19.50 5 4 0 274.37 19.30 5 4 0 296.07 19.80 5 4 0 251.17 19.00 5 4 0 263.87 18.90 5 4 0 289.67 18.90 5 4 0 238.38 19.00 5 4 0 251.27 19.60 -6 -4 0 224.98 16.80 -6 -4 0 259.77 17.20 -6 -4 0 236.28 16.80 -6 -4 0 235.38 17.10 6 4 0 235.88 16.60 6 4 0 238.28 16.80 6 4 0 245.88 17.10 6 4 0 237.48 17.30 6 4 0 232.88 17.70 6 4 0 256.07 16.70 6 4 0 228.88 16.60 6 4 0 213.98 16.70 6 4 0 222.88 16.90 -7 -4 0 1.10 1.00 -7 -4 0 -1.30 1.80 -7 -4 0 1.30 2.00 -7 -4 0 1.00 0.80 -7 -4 0 -1.20 2.10 7 4 0 -2.50 3.20 7 4 0 1.60 1.40 7 4 0 1.50 0.50 7 4 0 1.30 0.50 7 4 0 2.70 0.90 7 4 0 0.90 1.50 7 4 0 1.80 0.90 7 4 0 0.30 0.90 7 4 0 -1.90 1.90 -8 -4 0 36.00 3.20 -8 -4 0 48.60 5.60 -8 -4 0 44.10 3.50 -8 -4 0 44.10 5.10 8 4 0 37.10 3.30 8 4 0 38.10 4.60 8 4 0 35.80 2.90 8 4 0 38.00 3.00 8 4 0 38.80 6.70 8 4 0 42.70 4.10 8 4 0 35.60 3.40 -9 -4 0 12.60 1.70 -9 -4 0 13.50 2.70 -9 -4 0 9.90 2.30 9 4 0 12.10 1.90 9 4 0 10.10 1.90 9 4 0 14.30 2.90 9 4 0 9.90 1.70 9 4 0 13.10 2.80 -10 -4 0 12.90 2.80 -10 -4 0 10.90 1.90 -10 -4 0 9.40 2.00 10 4 0 13.30 2.50 10 4 0 10.60 1.80 10 4 0 12.00 3.00 -11 -4 0 38.60 3.70 -11 -4 0 35.20 4.90 -11 -4 0 32.50 4.10 11 4 0 39.30 3.70 11 4 0 39.10 4.30 11 4 0 37.00 5.20 11 4 0 34.50 3.40 -12 -4 0 5.10 2.20 -12 -4 0 3.30 1.80 -12 -4 0 1.40 3.30 12 4 0 3.50 3.80 12 4 0 3.60 1.80 12 4 0 4.80 2.10 -13 -4 0 4.00 3.60 -13 -4 0 -3.70 3.30 -13 -4 0 7.10 3.60 13 4 0 -1.30 2.20 13 4 0 -2.40 3.40 13 4 0 -0.10 4.60 14 4 0 11.70 3.60 14 4 0 8.40 3.50 14 4 0 5.60 8.70 13 -5 0 23.70 6.10 13 -5 0 13.90 4.10 -13 5 0 25.50 4.10 -13 5 0 20.00 6.50 12 -5 0 0.00 3.90 12 -5 0 13.40 5.20 -12 5 0 2.70 6.00 -12 5 0 4.10 2.30 11 -5 0 38.10 4.20 -11 5 0 26.30 5.70 -11 5 0 34.00 3.40 10 -5 0 4.00 1.80 -10 5 0 1.40 1.30 -10 5 0 1.20 2.60 -10 5 0 2.20 1.30 -10 5 0 4.70 1.80 9 -5 0 242.68 16.60 9 -5 0 237.58 16.90 -9 5 0 239.58 16.70 -9 5 0 224.58 16.60 -9 5 0 201.58 17.40 8 -5 0 3.00 1.60 8 -5 0 1.00 1.30 -8 5 0 -2.70 2.10 -8 5 0 1.40 1.00 -8 5 0 3.70 1.20 7 -5 0 120.59 8.40 7 -5 0 111.69 8.10 7 -5 0 105.29 8.00 -7 5 0 119.69 8.30 -7 5 0 105.29 8.20 -7 5 0 114.29 8.50 -7 5 0 105.49 9.10 6 -5 0 2.50 0.60 6 -5 0 2.70 0.50 6 -5 0 0.20 1.10 -6 5 0 3.90 2.00 -6 5 0 2.90 1.00 -6 5 0 5.50 2.20 -6 5 0 1.10 1.00 -6 5 0 2.50 0.90 5 -5 0 28.60 2.30 5 -5 0 30.70 2.20 5 -5 0 30.10 2.70 -5 5 0 30.30 2.20 -5 5 0 26.50 2.40 -5 5 0 30.60 2.60 -5 5 0 26.50 2.50 -5 5 0 28.40 3.60 -5 5 0 33.30 2.70 4 -5 0 161.98 12.30 4 -5 0 174.28 12.30 4 -5 0 175.28 12.30 -4 5 0 164.68 12.40 -4 5 0 200.88 12.70 -4 5 0 173.08 12.70 -4 5 0 172.48 12.40 -4 5 0 162.78 12.40 -4 5 0 176.88 12.30 -4 5 0 182.88 13.10 -4 5 0 163.38 12.50 -4 5 0 174.18 12.50 -4 5 0 194.08 13.00 -4 5 0 170.08 12.50 3 -5 0 71.69 5.90 3 -5 0 72.59 5.60 3 -5 0 80.99 5.60 3 -5 0 77.39 5.60 -3 5 0 89.19 5.70 -3 5 0 81.59 6.40 -3 5 0 78.59 5.70 -3 5 0 86.49 5.90 -3 5 0 69.49 5.70 -3 5 0 90.29 6.00 -3 5 0 77.49 5.80 -3 5 0 76.79 6.10 -3 5 0 78.29 5.80 2 -5 0 145.19 9.80 2 -5 0 135.69 9.70 2 -5 0 119.59 10.10 2 -5 0 135.99 9.80 -2 5 0 144.09 9.80 -2 5 0 155.78 9.90 -2 5 0 130.19 10.30 -2 5 0 144.79 10.00 -2 5 0 143.89 9.90 -2 5 0 131.89 10.20 1 -5 0 303.47 21.40 1 -5 0 287.87 21.70 1 -5 0 257.57 21.50 1 -5 0 314.57 21.40 1 -5 0 332.37 21.40 -1 5 0 313.77 21.40 -1 5 0 291.37 21.50 -1 5 0 347.77 21.50 -1 5 0 294.37 21.50 0 -5 0 1232.28 84.49 0 -5 0 1252.47 84.59 0 -5 0 1185.88 84.59 0 -5 0 1085.39 84.59 0 -5 0 1173.78 84.49 0 5 0 1307.57 84.59 0 5 0 1175.08 84.49 0 5 0 1168.68 84.59 0 5 0 1267.27 84.49 -1 -5 0 19.90 1.80 -1 -5 0 21.00 1.90 -1 -5 0 21.10 1.90 -1 -5 0 23.00 1.70 1 5 0 22.80 1.70 1 5 0 23.90 1.80 1 5 0 23.80 1.60 -2 -5 0 264.67 18.30 -2 -5 0 238.08 18.20 -2 -5 0 231.88 18.30 -2 -5 0 268.97 18.10 -2 -5 0 229.78 18.30 2 5 0 236.88 18.30 2 5 0 266.97 18.20 2 5 0 260.17 18.30 2 5 0 293.67 18.90 2 5 0 293.47 18.10 -3 -5 0 63.99 5.00 -3 -5 0 67.29 5.10 3 5 0 69.69 4.90 3 5 0 67.29 5.00 3 5 0 59.29 5.20 3 5 0 75.79 4.80 3 5 0 66.89 5.00 3 5 0 73.69 6.10 3 5 0 68.79 4.80 3 5 0 65.09 5.80 -4 -5 0 4.20 0.90 -4 -5 0 5.50 0.90 -4 -5 0 4.20 1.10 -4 -5 0 3.70 0.60 4 5 0 5.70 1.10 4 5 0 4.40 0.50 4 5 0 5.20 0.60 4 5 0 5.00 1.90 4 5 0 5.60 1.20 4 5 0 4.00 1.20 4 5 0 6.60 0.80 4 5 0 4.30 2.10 4 5 0 7.10 1.80 -5 -5 0 8.90 1.50 -5 -5 0 6.70 0.90 -5 -5 0 9.70 1.30 -5 -5 0 9.50 1.20 5 5 0 11.80 2.60 5 5 0 8.60 0.90 5 5 0 7.20 1.20 5 5 0 9.00 2.10 5 5 0 8.00 0.80 5 5 0 6.50 1.50 5 5 0 7.10 1.90 5 5 0 5.30 1.00 -6 -5 0 98.59 7.30 -6 -5 0 94.09 6.80 -6 -5 0 91.99 6.90 6 5 0 96.39 8.30 6 5 0 99.29 7.20 6 5 0 90.19 6.90 6 5 0 87.99 7.80 6 5 0 93.79 6.70 6 5 0 90.29 6.60 6 5 0 95.29 6.90 6 5 0 85.39 6.80 -7 -5 0 166.18 12.70 -7 -5 0 165.68 12.10 -7 -5 0 158.68 12.10 7 5 0 170.18 13.00 7 5 0 171.38 12.40 7 5 0 155.08 13.50 7 5 0 168.48 12.10 7 5 0 169.38 12.00 7 5 0 181.38 11.90 7 5 0 156.78 11.90 7 5 0 175.28 12.20 -8 -5 0 16.60 3.70 -8 -5 0 12.00 1.70 -8 -5 0 10.20 4.60 -8 -5 0 9.20 2.00 -8 -5 0 9.60 3.60 8 5 0 14.20 1.70 8 5 0 13.10 1.80 8 5 0 9.80 1.40 8 5 0 15.20 4.10 8 5 0 13.60 2.60 8 5 0 11.70 2.90 -9 -5 0 792.52 51.19 -9 -5 0 709.33 50.99 -9 -5 0 626.24 50.59 9 5 0 711.63 50.69 9 5 0 798.32 50.99 9 5 0 749.23 50.69 9 5 0 638.94 51.39 -10 -5 0 3.40 1.70 -10 -5 0 1.00 1.20 -10 -5 0 6.10 2.90 10 5 0 -0.60 2.90 10 5 0 2.50 1.20 10 5 0 4.50 1.90 -11 -5 0 29.80 3.10 -11 -5 0 28.60 3.70 11 5 0 29.50 3.10 11 5 0 26.90 3.70 11 5 0 22.60 4.50 -12 -5 0 6.90 2.80 -12 -5 0 6.00 6.00 -12 -5 0 5.30 2.20 12 5 0 7.00 3.70 12 5 0 6.80 2.40 12 5 0 4.10 2.10 -13 -5 0 13.00 3.60 -13 -5 0 13.20 4.20 13 5 0 12.30 3.70 13 5 0 13.00 5.70 13 5 0 7.00 2.50 -14 -5 0 -1.20 3.60 14 5 0 14.70 4.00 13 -6 0 1.50 5.00 13 -6 0 2.90 3.30 -13 6 0 6.10 5.40 12 -6 0 104.39 9.00 -12 6 0 87.19 7.70 -12 6 0 85.59 11.60 11 -6 0 56.49 5.70 -11 6 0 44.50 4.50 -11 6 0 41.20 7.80 10 -6 0 99.49 7.90 -10 6 0 95.99 7.50 -10 6 0 97.99 9.20 -10 6 0 94.99 7.50 9 -6 0 2.20 1.70 -9 6 0 3.40 1.20 -9 6 0 2.40 1.20 -9 6 0 9.80 2.90 -9 6 0 3.50 1.20 8 -6 0 4.10 1.40 8 -6 0 4.00 1.60 -8 6 0 2.40 2.60 -8 6 0 1.00 1.10 7 -6 0 9.50 1.60 -7 6 0 12.10 3.00 -7 6 0 9.70 1.70 -7 6 0 9.40 1.40 -7 6 0 13.10 2.80 6 -6 0 3.30 1.20 6 -6 0 5.30 0.80 6 -6 0 5.00 0.70 -6 6 0 6.60 1.10 -6 6 0 8.10 2.40 -6 6 0 5.30 2.50 -6 6 0 5.20 1.40 -6 6 0 6.00 1.10 5 -6 0 114.29 8.00 5 -6 0 104.59 7.60 5 -6 0 109.39 7.60 -5 6 0 115.59 8.00 -5 6 0 91.09 7.80 -5 6 0 109.99 7.90 -5 6 0 101.59 8.70 -5 6 0 102.19 7.70 -5 6 0 114.99 8.80 4 -6 0 22.30 1.70 4 -6 0 20.80 1.70 -4 6 0 21.60 2.10 -4 6 0 20.30 1.80 -4 6 0 22.90 1.90 -4 6 0 20.20 2.10 -4 6 0 23.60 2.60 -4 6 0 20.10 1.80 -4 6 0 25.50 3.80 -4 6 0 27.80 3.10 -4 6 0 20.50 2.10 3 -6 0 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1.90 -2 -6 0 16.00 1.40 -2 -6 0 18.60 1.80 2 6 0 14.80 1.50 2 6 0 18.80 1.40 2 6 0 23.20 3.40 2 6 0 20.50 2.70 2 6 0 20.30 2.80 2 6 0 19.20 2.10 2 6 0 17.10 1.30 2 6 0 15.50 1.60 -3 -6 0 795.42 58.59 3 6 0 782.32 58.69 3 6 0 797.12 58.59 3 6 0 892.31 59.09 3 6 0 835.72 58.59 3 6 0 804.62 58.59 3 6 0 889.41 58.39 3 6 0 924.21 59.39 3 6 0 787.52 58.99 -4 -6 0 1.00 0.80 -4 -6 0 1.30 0.80 4 6 0 1.40 0.70 4 6 0 0.20 1.10 4 6 0 2.00 2.10 4 6 0 -0.10 0.50 4 6 0 1.50 1.70 -5 -6 0 0.00 0.90 -5 -6 0 -0.10 1.30 -5 -6 0 0.50 0.80 5 6 0 0.20 0.70 5 6 0 3.50 2.20 5 6 0 0.30 1.70 5 6 0 -2.90 2.00 5 6 0 0.30 0.80 5 6 0 0.50 0.40 5 6 0 -0.30 1.10 5 6 0 0.30 0.50 -6 -6 0 22.90 2.60 -6 -6 0 25.10 3.50 6 6 0 28.90 2.50 6 6 0 28.80 2.90 6 6 0 28.50 2.60 6 6 0 25.40 5.80 6 6 0 28.70 2.30 6 6 0 24.60 4.60 6 6 0 26.60 2.10 -7 -6 0 7.80 1.40 -7 -6 0 12.60 2.90 -7 -6 0 9.70 1.70 7 6 0 8.80 1.80 7 6 0 9.40 1.00 7 6 0 10.40 2.10 7 6 0 7.10 1.30 7 6 0 10.50 2.50 7 6 0 8.50 1.30 7 6 0 6.40 3.40 -8 -6 0 23.80 2.40 8 6 0 22.70 4.20 8 6 0 22.30 4.80 8 6 0 25.40 2.60 8 6 0 20.30 2.90 -9 -6 0 205.68 16.00 -9 -6 0 214.08 15.70 9 6 0 232.68 15.80 9 6 0 193.78 16.60 9 6 0 237.28 16.00 -10 -6 0 -0.10 1.10 -10 -6 0 3.20 1.60 10 6 0 2.30 1.80 10 6 0 0.80 1.30 10 6 0 -0.50 2.80 -11 -6 0 5.70 1.60 -11 -6 0 6.60 2.20 11 6 0 5.10 1.70 11 6 0 7.40 2.10 11 6 0 5.40 3.70 -12 -6 0 6.80 2.80 -12 -6 0 1.40 3.40 12 6 0 0.00 2.60 12 6 0 3.50 4.40 12 6 0 2.60 2.20 -13 -6 0 31.00 6.30 -13 -6 0 30.20 4.80 13 6 0 21.80 4.60 13 6 0 13.90 7.00 -14 -6 0 7.30 3.10 14 6 0 7.20 3.00 12 -7 0 18.90 4.20 -12 7 0 18.90 6.30 11 -7 0 3.70 4.40 -11 7 0 2.10 5.50 10 -7 0 9.80 2.70 -10 7 0 8.30 2.10 -10 7 0 5.60 1.70 -10 7 0 8.30 3.90 9 -7 0 16.90 3.10 -9 7 0 14.50 2.30 8 -7 0 95.59 7.00 8 -7 0 93.49 7.40 -8 7 0 86.09 6.80 -8 7 0 82.99 8.30 7 -7 0 17.90 2.30 -7 7 0 13.80 3.30 -7 7 0 11.20 2.00 -7 7 0 9.20 3.30 -7 7 0 16.00 1.80 6 -7 0 9.70 1.90 -6 7 0 7.30 1.40 -6 7 0 5.20 2.90 -6 7 0 13.10 2.80 -6 7 0 12.70 1.30 5 -7 0 227.88 16.10 5 -7 0 253.77 16.40 -5 7 0 231.48 16.20 -5 7 0 228.78 17.20 -5 7 0 204.28 17.10 -5 7 0 224.88 16.40 -5 7 0 193.38 16.20 -5 7 0 240.88 16.50 -5 7 0 242.88 16.20 4 -7 0 114.49 8.60 4 -7 0 123.89 8.70 -4 7 0 101.99 8.90 -4 7 0 121.59 8.70 -4 7 0 129.19 9.60 -4 7 0 122.29 8.70 -4 7 0 127.49 9.00 -4 7 0 121.49 9.20 -4 7 0 128.69 9.40 -4 7 0 121.89 9.00 -4 7 0 126.79 8.80 3 -7 0 35.70 2.70 3 -7 0 35.70 3.10 -3 7 0 34.20 2.80 -3 7 0 32.80 3.00 -3 7 0 36.40 2.80 -3 7 0 40.90 3.30 -3 7 0 36.80 3.50 -3 7 0 36.90 3.10 -3 7 0 38.90 3.10 2 -7 0 0.10 0.80 2 -7 0 -0.30 0.60 -2 7 0 0.20 0.60 -2 7 0 1.10 1.10 -2 7 0 -1.30 0.90 -2 7 0 2.60 2.80 -2 7 0 0.50 0.50 -2 7 0 -0.20 0.60 -2 7 0 0.20 1.20 1 -7 0 -0.30 0.30 1 -7 0 -0.60 0.70 -1 7 0 -0.40 1.30 -1 7 0 0.30 0.60 -1 7 0 -0.30 0.60 -1 7 0 0.50 0.40 -1 7 0 -0.70 1.20 -1 7 0 -0.20 0.70 -1 7 0 -1.60 0.90 -1 7 0 0.80 1.20 0 -7 0 614.14 46.00 0 -7 0 684.83 45.80 0 -7 0 619.24 45.90 0 7 0 706.33 46.00 0 7 0 633.74 46.00 0 7 0 680.33 46.30 0 7 0 662.53 46.40 0 7 0 671.63 46.20 0 7 0 573.44 46.10 0 7 0 689.33 46.10 -1 -7 0 1.40 0.40 -1 -7 0 3.00 0.90 1 7 0 0.80 1.20 1 7 0 1.20 1.40 1 7 0 0.90 0.50 1 7 0 1.70 0.30 1 7 0 3.00 2.20 1 7 0 1.70 1.60 1 7 0 1.60 0.80 1 7 0 2.90 0.60 -2 -7 0 38.50 3.20 -2 -7 0 37.40 2.80 2 7 0 37.10 3.50 2 7 0 36.10 3.80 2 7 0 40.90 3.20 2 7 0 34.60 3.00 2 7 0 36.40 4.00 2 7 0 45.60 4.70 2 7 0 41.10 2.80 2 7 0 40.30 3.00 2 7 0 38.70 2.90 2 7 0 35.50 3.00 -3 -7 0 135.39 9.60 -3 -7 0 136.09 9.70 3 7 0 135.29 9.30 3 7 0 138.19 9.80 3 7 0 126.49 9.50 3 7 0 144.49 10.80 3 7 0 125.29 9.50 3 7 0 119.49 9.50 3 7 0 134.79 9.60 3 7 0 122.29 10.10 3 7 0 140.69 10.40 -4 -7 0 76.79 6.10 -4 -7 0 80.49 6.00 -4 -7 0 78.49 6.30 4 7 0 81.19 5.90 4 7 0 79.69 7.90 4 7 0 81.19 6.30 4 7 0 87.29 7.00 4 7 0 68.39 6.80 4 7 0 77.09 5.90 4 7 0 81.09 6.00 4 7 0 86.69 5.80 4 7 0 83.59 6.20 -5 -7 0 20.60 2.10 -5 -7 0 19.10 2.50 -5 -7 0 20.60 2.30 5 7 0 23.50 2.10 5 7 0 19.30 1.90 5 7 0 17.70 3.60 5 7 0 22.00 1.70 5 7 0 22.10 4.30 5 7 0 22.00 2.60 5 7 0 15.50 3.60 -6 -7 0 166.48 11.10 -6 -7 0 144.39 11.70 -6 -7 0 152.98 11.20 6 7 0 156.98 10.90 6 7 0 131.39 12.60 6 7 0 155.48 11.00 6 7 0 141.29 11.90 6 7 0 162.78 11.20 6 7 0 164.98 11.50 6 7 0 149.88 11.20 -7 -7 0 9.20 1.60 7 7 0 9.20 1.90 7 7 0 7.60 2.70 7 7 0 10.40 1.60 7 7 0 9.90 1.80 7 7 0 8.30 1.50 7 7 0 10.70 3.80 -8 -7 0 79.39 5.70 -8 -7 0 75.09 6.20 8 7 0 71.69 5.70 8 7 0 72.49 8.30 8 7 0 68.79 5.80 8 7 0 61.49 7.00 8 7 0 80.19 6.20 -9 -7 0 47.90 4.50 -9 -7 0 47.30 4.00 9 7 0 35.00 5.70 9 7 0 48.20 4.00 9 7 0 47.30 4.50 -10 -7 0 50.39 5.00 -10 -7 0 56.89 4.50 10 7 0 55.89 4.60 10 7 0 40.90 6.30 10 7 0 57.09 5.00 -11 -7 0 0.70 1.60 -11 -7 0 1.40 2.60 11 7 0 3.80 2.00 11 7 0 3.20 2.10 11 7 0 6.10 3.60 -12 -7 0 4.40 3.30 12 7 0 2.70 2.20 12 7 0 -1.00 4.80 -13 -7 0 2.20 3.00 -13 -7 0 6.40 4.30 13 7 0 2.60 3.30 13 7 0 0.10 3.30 12 -8 0 -3.00 3.30 11 -8 0 36.60 6.30 -11 8 0 10.40 8.10 10 -8 0 1.00 4.10 -10 8 0 1.90 1.50 -10 8 0 -7.40 4.40 9 -8 0 20.10 3.70 -9 8 0 10.40 4.40 -9 8 0 19.60 2.30 -9 8 0 16.10 2.80 8 -8 0 5.90 1.80 -8 8 0 10.80 3.90 -8 8 0 5.10 1.50 -7 8 0 13.50 2.10 -7 8 0 14.00 1.80 -7 8 0 17.20 3.60 6 -8 0 60.19 4.80 -6 8 0 56.79 6.10 -6 8 0 54.39 4.40 5 -8 0 1.40 1.30 -5 8 0 1.50 1.00 -5 8 0 1.90 1.30 -5 8 0 1.00 0.80 -5 8 0 1.70 0.70 -5 8 0 3.60 2.40 4 -8 0 0.50 1.50 4 -8 0 0.00 0.70 -4 8 0 1.00 1.40 -4 8 0 2.40 1.40 -4 8 0 0.20 1.10 -4 8 0 0.30 1.20 -4 8 0 1.10 1.00 -4 8 0 2.00 1.80 -4 8 0 1.30 0.60 -4 8 0 1.40 0.70 3 -8 0 103.79 8.20 3 -8 0 108.59 7.90 -3 8 0 111.79 8.20 -3 8 0 109.79 7.90 -3 8 0 103.69 8.20 -3 8 0 113.49 7.90 -3 8 0 118.59 8.00 -3 8 0 98.49 8.40 -3 8 0 117.69 8.40 -3 8 0 107.59 8.80 2 -8 0 34.60 2.70 2 -8 0 32.70 3.20 2 -8 0 35.40 3.30 -2 8 0 33.00 3.40 -2 8 0 30.00 2.90 -2 8 0 36.00 3.10 -2 8 0 35.10 2.70 -2 8 0 35.00 2.80 -2 8 0 31.10 3.00 -2 8 0 36.90 3.60 -2 8 0 35.90 5.50 -2 8 0 37.30 2.80 -2 8 0 37.40 3.30 1 -8 0 20.30 1.70 1 -8 0 20.10 2.30 -1 8 0 21.70 2.60 -1 8 0 21.00 1.90 -1 8 0 19.10 2.90 -1 8 0 18.50 2.30 -1 8 0 17.80 1.80 -1 8 0 27.80 4.40 -1 8 0 19.20 2.10 0 -8 0 45.20 3.80 0 -8 0 48.00 3.40 0 8 0 44.70 3.50 0 8 0 46.10 3.80 0 8 0 43.10 4.20 0 8 0 45.70 3.60 0 8 0 44.40 4.20 0 8 0 46.30 5.50 -1 -8 0 0.20 0.50 -1 -8 0 0.60 1.10 -1 -8 0 2.00 1.40 1 8 0 1.80 1.40 1 8 0 0.50 0.70 1 8 0 -0.40 0.30 1 8 0 -1.90 2.00 1 8 0 -0.10 0.80 1 8 0 1.10 1.30 -2 -8 0 32.10 2.70 -2 -8 0 34.30 3.50 -2 -8 0 36.10 3.20 2 8 0 35.70 4.90 2 8 0 32.30 2.80 2 8 0 41.80 4.30 2 8 0 35.00 2.60 2 8 0 36.90 3.50 2 8 0 35.60 3.80 2 8 0 35.50 3.20 2 8 0 36.60 2.90 -3 -8 0 4.00 1.30 -3 -8 0 6.00 1.50 3 8 0 8.00 2.60 3 8 0 6.40 0.80 3 8 0 8.00 2.80 3 8 0 5.60 1.10 3 8 0 4.30 1.50 3 8 0 5.80 0.90 3 8 0 6.90 1.00 3 8 0 4.00 1.00 3 8 0 4.30 2.00 -4 -8 0 61.69 4.90 -4 -8 0 57.19 5.30 4 8 0 56.59 4.60 4 8 0 61.79 4.60 4 8 0 54.59 5.90 4 8 0 64.49 4.70 4 8 0 66.39 5.10 4 8 0 64.29 4.40 4 8 0 57.89 6.60 4 8 0 60.69 4.80 4 8 0 50.59 5.60 -5 -8 0 15.20 2.80 -5 -8 0 18.00 2.80 5 8 0 18.10 2.20 5 8 0 21.00 2.60 5 8 0 17.60 2.00 5 8 0 21.20 1.70 5 8 0 20.50 2.10 5 8 0 18.50 3.60 5 8 0 20.60 2.00 5 8 0 14.00 3.80 -6 -8 0 3.10 1.20 6 8 0 3.50 0.90 6 8 0 4.60 1.20 6 8 0 2.60 2.60 6 8 0 3.80 0.90 6 8 0 3.90 1.70 6 8 0 2.90 3.30 6 8 0 4.30 1.20 -7 -8 0 5.20 1.40 -7 -8 0 4.80 1.60 7 8 0 7.00 1.90 7 8 0 5.40 2.90 7 8 0 8.30 1.50 7 8 0 7.40 3.50 7 8 0 7.30 1.20 7 8 0 5.50 1.40 -8 -8 0 -1.30 1.20 -8 -8 0 2.40 1.60 8 8 0 -0.20 2.90 8 8 0 2.00 1.70 8 8 0 2.00 4.00 8 8 0 0.90 1.10 -9 -8 0 9.30 1.80 9 8 0 3.10 3.30 9 8 0 8.20 2.10 -10 -8 0 11.60 2.60 -10 -8 0 13.30 2.20 10 8 0 15.00 2.60 10 8 0 15.30 3.00 10 8 0 11.00 4.00 -11 -8 0 6.20 3.80 -11 -8 0 2.80 1.90 11 8 0 0.80 2.30 11 8 0 -0.80 4.30 -12 -8 0 -4.50 4.10 -12 -8 0 2.50 3.10 12 8 0 9.70 3.60 12 8 0 3.90 2.50 -13 -8 0 18.30 4.20 -13 -8 0 18.60 3.30 13 8 0 20.30 3.90 11 -9 0 3.00 3.80 10 -9 0 -1.80 4.80 -10 9 0 2.60 1.80 9 -9 0 -1.30 3.90 -9 9 0 3.00 1.40 -8 9 0 24.90 3.50 -8 9 0 34.10 3.00 7 -9 0 0.90 1.60 -7 9 0 2.00 2.30 -7 9 0 1.20 4.40 6 -9 0 43.40 3.80 -6 9 0 35.60 3.20 -6 9 0 42.80 5.40 5 -9 0 33.60 3.20 -5 9 0 24.70 2.60 -5 9 0 33.80 4.70 -5 9 0 33.70 3.30 -5 9 0 24.30 2.90 -5 9 0 33.10 2.60 -4 9 0 6.00 1.50 -4 9 0 4.70 0.90 -4 9 0 4.60 1.30 -4 9 0 7.20 1.70 -4 9 0 6.30 1.10 -4 9 0 5.30 2.30 3 -9 0 12.20 1.50 -3 9 0 10.90 1.50 -3 9 0 12.70 2.00 -3 9 0 15.70 3.00 -3 9 0 10.10 2.00 -3 9 0 9.00 1.60 -3 9 0 10.30 1.90 -3 9 0 12.30 2.00 -3 9 0 12.30 1.40 2 -9 0 7.30 1.70 2 -9 0 7.90 1.60 2 -9 0 9.40 1.30 -2 9 0 10.20 1.40 -2 9 0 8.10 1.20 -2 9 0 8.90 1.30 -2 9 0 5.10 1.80 -2 9 0 16.40 4.90 -2 9 0 11.70 1.90 -2 9 0 9.00 2.10 -2 9 0 8.30 1.60 -2 9 0 8.90 1.60 1 -9 0 122.99 8.60 1 -9 0 122.99 9.00 -1 9 0 113.39 9.10 -1 9 0 115.89 8.70 -1 9 0 112.79 8.70 -1 9 0 126.99 10.60 -1 9 0 130.89 9.50 -1 9 0 121.49 8.90 -1 9 0 111.09 9.00 0 -9 0 41.00 3.90 0 -9 0 40.90 3.20 0 9 0 42.80 3.40 0 9 0 41.10 5.70 0 9 0 36.60 3.90 0 9 0 41.10 4.20 0 9 0 44.60 3.70 0 9 0 41.30 3.30 0 9 0 38.30 4.40 -1 -9 0 23.00 1.90 -1 -9 0 21.00 2.80 -1 -9 0 15.00 3.10 1 9 0 23.00 4.80 1 9 0 19.70 2.20 1 9 0 18.20 3.70 1 9 0 18.50 2.30 1 9 0 22.00 3.00 1 9 0 19.60 1.90 1 9 0 23.80 3.40 -2 -9 0 116.59 8.90 -2 -9 0 129.89 8.80 2 9 0 116.99 10.30 2 9 0 104.79 8.50 2 9 0 123.29 9.60 2 9 0 113.69 8.40 2 9 0 110.99 8.70 2 9 0 108.69 9.00 2 9 0 119.49 9.00 2 9 0 113.29 9.30 -3 -9 0 4.80 1.80 -3 -9 0 6.40 1.70 -3 -9 0 3.00 1.90 3 9 0 8.60 1.20 3 9 0 7.60 2.30 3 9 0 6.60 1.80 3 9 0 4.10 3.10 3 9 0 6.10 1.20 3 9 0 4.60 1.30 -4 -9 0 21.00 2.80 4 9 0 17.00 2.50 4 9 0 20.70 3.70 4 9 0 21.90 2.00 4 9 0 25.30 3.00 4 9 0 17.30 4.10 4 9 0 20.50 2.10 -5 -9 0 42.10 4.00 5 9 0 37.50 3.70 5 9 0 41.90 3.50 5 9 0 33.20 5.00 5 9 0 38.40 6.30 5 9 0 42.50 3.40 5 9 0 42.90 4.10 -6 -9 0 0.80 1.50 6 9 0 3.30 1.60 6 9 0 -0.80 1.30 6 9 0 1.00 0.90 6 9 0 -0.10 3.10 6 9 0 1.30 2.50 6 9 0 1.10 1.00 -7 -9 0 3.90 1.70 -7 -9 0 6.40 1.50 7 9 0 1.50 1.60 7 9 0 4.80 2.80 7 9 0 4.80 1.30 7 9 0 5.80 1.20 7 9 0 5.40 3.90 7 9 0 6.80 1.90 -8 -9 0 5.80 1.60 -8 -9 0 7.10 2.80 8 9 0 7.70 2.10 8 9 0 8.70 3.10 8 9 0 7.30 1.90 8 9 0 6.40 1.90 -9 -9 0 16.80 3.40 -9 -9 0 16.70 2.50 9 9 0 18.90 2.60 9 9 0 14.50 3.80 9 9 0 24.20 3.20 -10 -9 0 5.10 3.50 10 9 0 4.00 3.80 10 9 0 0.40 2.10 10 9 0 3.20 2.40 -11 -9 0 46.70 4.50 -11 -9 0 37.10 6.10 11 9 0 51.09 5.80 11 9 0 54.69 5.10 -12 -9 0 3.20 4.80 -12 -9 0 -0.30 2.70 12 9 0 -0.20 3.10 12 9 0 -0.40 2.60 10 -10 0 -1.20 5.20 -10 10 0 1.80 2.10 9 -10 0 19.30 5.50 -9 10 0 16.70 2.80 8 -10 0 37.50 6.20 -8 10 0 35.50 3.50 -7 10 0 9.10 4.30 -7 10 0 7.40 2.10 -7 10 0 7.80 1.40 6 -10 0 4.50 1.90 -6 10 0 4.90 1.60 -6 10 0 5.50 3.30 -6 10 0 4.60 1.10 5 -10 0 50.39 4.30 -5 10 0 50.59 3.70 -5 10 0 42.90 3.70 -5 10 0 48.50 4.30 -5 10 0 35.80 3.90 -5 10 0 38.70 5.80 -4 10 0 1.60 1.70 -4 10 0 0.30 0.80 -4 10 0 0.60 2.40 -4 10 0 -1.10 1.50 -4 10 0 3.10 1.30 -4 10 0 1.20 0.80 -3 10 0 2.10 1.40 -3 10 0 2.90 1.30 -3 10 0 1.80 1.50 -3 10 0 0.50 0.80 -3 10 0 -0.50 2.20 2 -10 0 60.69 5.10 -2 10 0 65.99 4.50 -2 10 0 47.20 5.10 -2 10 0 56.09 5.10 -2 10 0 48.70 5.60 -2 10 0 65.99 4.60 -2 10 0 54.89 4.90 1 -10 0 1.40 1.40 -1 10 0 7.00 4.90 -1 10 0 1.30 0.70 -1 10 0 0.70 1.70 -1 10 0 2.30 1.40 -1 10 0 1.40 0.70 -1 10 0 0.20 1.70 -1 10 0 0.50 1.30 0 10 0 699.43 49.10 0 10 0 697.73 48.70 0 10 0 656.53 49.00 0 10 0 691.53 49.30 0 10 0 708.53 50.19 1 10 0 0.60 2.00 1 10 0 1.50 1.80 1 10 0 0.90 0.70 1 10 0 0.50 1.20 1 10 0 2.40 3.40 1 10 0 0.80 1.80 2 10 0 4.10 2.10 2 10 0 1.10 0.70 2 10 0 1.40 1.80 2 10 0 0.50 1.20 2 10 0 3.90 3.10 -3 -10 0 69.19 5.40 3 10 0 53.59 6.00 3 10 0 65.19 7.50 3 10 0 56.99 5.10 3 10 0 65.99 5.60 3 10 0 58.99 4.80 -4 -10 0 4.30 1.60 4 10 0 4.30 3.60 4 10 0 0.50 0.80 4 10 0 0.60 1.30 4 10 0 -0.10 2.40 4 10 0 1.10 1.80 -5 -10 0 68.09 5.50 5 10 0 58.39 5.20 5 10 0 62.89 4.90 5 10 0 67.59 5.60 5 10 0 53.19 7.50 5 10 0 57.49 6.10 -6 -10 0 38.00 3.80 6 10 0 43.50 4.10 6 10 0 36.10 6.70 6 10 0 30.60 5.00 6 10 0 34.90 3.20 6 10 0 29.10 3.60 6 10 0 32.40 3.10 -7 -10 0 9.40 2.10 7 10 0 7.90 2.40 7 10 0 7.50 1.60 7 10 0 7.80 4.80 7 10 0 10.60 1.80 -8 -10 0 15.40 3.30 8 10 0 21.80 2.60 8 10 0 13.00 3.90 8 10 0 18.00 3.30 8 10 0 15.10 2.60 -9 -10 0 0.50 1.90 -9 -10 0 6.50 3.30 9 10 0 0.40 3.80 9 10 0 2.50 2.20 9 10 0 -2.00 2.30 -10 -10 0 2.70 1.80 10 10 0 8.60 3.40 10 10 0 -2.10 4.60 10 10 0 1.70 2.50 -11 -10 0 36.40 6.20 -11 -10 0 31.40 4.00 11 10 0 28.30 4.50 9 -11 0 6.90 4.50 -9 11 0 2.80 2.40 8 -11 0 6.00 5.10 -8 11 0 -2.10 2.10 -7 11 0 -1.60 1.80 6 -11 0 -0.80 1.90 -6 11 0 -3.80 4.30 -6 11 0 1.10 1.40 -5 11 0 20.50 4.40 -5 11 0 19.10 2.20 4 -11 0 3.50 1.60 -4 11 0 -0.30 1.90 -4 11 0 0.40 0.90 -4 11 0 -1.00 2.70 -4 11 0 0.30 0.90 -3 11 0 96.19 6.50 -3 11 0 89.49 6.60 -3 11 0 89.29 7.00 -3 11 0 78.69 7.90 -3 11 0 78.39 7.20 -2 11 0 38.40 4.40 -2 11 0 40.10 3.70 -2 11 0 46.70 3.60 -2 11 0 49.40 5.30 -2 11 0 53.29 4.30 1 -11 0 46.90 4.30 -1 11 0 42.40 4.30 -1 11 0 41.90 4.60 -1 11 0 41.00 3.60 -1 11 0 46.80 5.10 -1 11 0 46.00 4.20 -1 11 0 46.10 3.60 0 11 0 42.80 4.50 0 11 0 39.20 3.50 0 11 0 40.20 4.10 0 11 0 50.19 4.80 1 11 0 18.20 3.60 1 11 0 23.70 2.20 1 11 0 19.70 3.60 1 11 0 21.90 3.10 2 11 0 46.00 4.50 2 11 0 51.39 5.10 2 11 0 46.00 5.30 2 11 0 46.30 7.80 2 11 0 47.70 3.90 -3 -11 0 26.90 3.30 3 11 0 19.20 3.60 3 11 0 21.40 2.20 3 11 0 20.30 4.00 3 11 0 16.80 5.20 3 11 0 17.90 2.80 -4 -11 0 1.10 1.90 4 11 0 2.40 1.50 4 11 0 3.40 1.00 4 11 0 4.10 4.40 4 11 0 3.50 2.20 4 11 0 4.80 2.70 -5 -11 0 9.80 2.40 5 11 0 18.10 3.60 5 11 0 9.60 2.10 5 11 0 11.60 3.60 -6 -11 0 -1.10 1.90 6 11 0 -0.20 2.20 6 11 0 1.60 1.00 6 11 0 -4.10 3.00 6 11 0 -1.20 1.70 6 11 0 15.60 6.20 -7 -11 0 0.00 2.00 7 11 0 0.60 2.00 7 11 0 0.60 3.30 7 11 0 1.10 2.30 7 11 0 2.10 1.20 7 11 0 6.80 7.50 8 11 0 7.80 4.20 8 11 0 9.90 2.60 9 11 0 3.90 2.90 9 11 0 5.60 5.00 -10 -11 0 2.50 3.80 10 11 0 -2.30 3.10 -11 -11 0 29.50 5.30 8 -12 0 2.50 4.30 -8 12 0 1.80 2.40 -7 12 0 22.70 4.10 -6 12 0 -8.60 7.70 -6 12 0 -0.50 2.70 -5 12 0 -2.60 6.10 -5 12 0 7.20 2.10 4 -12 0 0.00 1.80 -4 12 0 3.10 4.60 -4 12 0 0.50 1.40 -4 12 0 -0.50 1.20 -4 12 0 -0.40 2.10 -3 12 0 0.00 1.10 -3 12 0 0.10 1.10 -3 12 0 -1.20 3.30 -3 12 0 1.50 2.30 -3 12 0 0.20 2.00 -2 12 0 10.10 1.80 -2 12 0 8.50 3.40 -2 12 0 11.10 1.70 -2 12 0 10.70 2.30 -2 12 0 10.50 2.40 1 -12 0 4.30 1.90 -1 12 0 2.30 1.10 -1 12 0 3.40 2.70 -1 12 0 2.70 2.70 -1 12 0 1.10 2.00 -1 12 0 2.30 1.20 0 -12 0 4.80 2.50 0 12 0 1.10 1.70 0 12 0 1.60 1.00 0 12 0 1.50 0.90 0 12 0 1.50 2.40 0 12 0 0.50 1.70 -1 -12 0 35.70 4.20 1 12 0 31.10 2.90 1 12 0 28.90 3.70 1 12 0 35.10 4.60 2 12 0 2.80 1.00 2 12 0 1.70 2.40 2 12 0 3.80 1.80 3 12 0 0.70 2.40 3 12 0 1.00 0.90 3 12 0 -1.20 1.70 -4 -12 0 -2.30 2.10 4 12 0 -3.00 3.00 4 12 0 1.30 1.90 4 12 0 -1.40 2.40 4 12 0 0.20 1.10 -6 -12 0 32.30 3.80 6 12 0 27.50 3.10 6 12 0 36.40 4.80 6 12 0 30.60 5.10 6 12 0 25.80 4.00 -7 -12 0 -0.10 2.30 7 12 0 -0.60 4.20 7 12 0 -3.20 2.90 7 12 0 1.20 2.30 -8 -12 0 6.40 4.00 8 12 0 1.80 3.30 8 12 0 8.40 2.90 8 12 0 2.90 5.10 -9 -12 0 8.50 3.90 9 12 0 -0.40 3.50 -10 -12 0 2.40 3.40 10 12 0 -4.50 4.60 7 -13 0 3.60 3.90 -7 13 0 3.40 2.40 -6 13 0 2.60 2.80 5 -13 0 -0.30 3.90 -5 13 0 10.40 2.70 4 -13 0 10.20 2.40 -4 13 0 28.80 8.20 3 -13 0 5.10 2.10 -3 13 0 2.20 3.00 -3 13 0 5.90 7.00 -3 13 0 9.70 2.50 -2 13 0 1.30 1.90 -2 13 0 3.20 3.70 -2 13 0 0.00 2.50 -2 13 0 3.10 1.60 -1 13 0 -1.50 3.20 -1 13 0 2.80 4.50 -1 13 0 -1.00 1.50 -1 13 0 -0.50 1.30 -1 13 0 -2.30 2.20 0 -13 0 3.50 1.90 0 13 0 6.00 3.10 0 13 0 1.60 1.30 0 13 0 2.40 2.30 0 13 0 -0.10 1.40 0 13 0 5.00 4.20 -1 -13 0 1.40 1.90 1 13 0 1.80 2.90 1 13 0 2.50 2.20 1 13 0 0.80 3.70 1 13 0 0.10 1.50 1 13 0 0.90 1.30 -2 -13 0 1.60 1.90 2 13 0 0.00 1.40 2 13 0 1.40 3.40 2 13 0 -0.70 3.00 3 13 0 28.60 4.40 3 13 0 28.80 3.50 3 13 0 37.80 5.60 4 13 0 4.00 3.70 4 13 0 5.40 4.10 4 13 0 8.20 2.00 -5 -13 0 3.90 2.40 5 13 0 2.40 1.80 5 13 0 1.20 4.20 5 13 0 -1.40 3.50 -6 -13 0 0.70 2.30 6 13 0 -0.30 1.90 6 13 0 -1.30 4.30 6 13 0 -2.40 3.10 -7 -13 0 0.50 3.00 7 13 0 1.40 3.50 7 13 0 -4.10 4.30 -8 -13 0 0.20 3.40 8 13 0 1.40 4.30 -5 14 0 6.90 6.20 -4 14 0 6.90 3.30 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280.27 18.80 -8 -4 4 253.77 18.10 7 4 -4 51.99 4.70 7 4 -4 48.50 5.40 7 4 -4 55.29 5.60 7 4 -4 46.80 4.10 7 4 -4 46.40 3.90 7 4 -4 42.00 4.20 -7 -4 4 56.49 8.00 -7 -4 4 48.10 3.90 -7 -4 4 58.99 5.70 6 4 -4 131.59 9.90 6 4 -4 141.19 10.30 6 4 -4 128.19 9.60 6 4 -4 129.09 10.70 6 4 -4 140.29 10.00 6 4 -4 133.09 10.70 6 4 -4 143.39 9.80 -6 -4 4 133.89 9.70 -6 -4 4 127.79 10.00 -6 -4 4 135.89 10.90 5 4 -4 124.59 8.80 5 4 -4 115.09 8.50 5 4 -4 122.89 8.80 5 4 -4 120.19 9.40 5 4 -4 121.19 9.50 5 4 -4 123.89 8.70 5 4 -4 116.09 9.10 -5 -4 4 109.99 8.80 -5 -4 4 115.09 9.20 4 4 -4 14.30 2.70 4 4 -4 11.90 1.80 4 4 -4 13.00 2.20 4 4 -4 12.90 1.90 4 4 -4 15.20 1.80 4 4 -4 16.20 2.20 4 4 -4 15.60 1.30 -4 -4 4 14.80 2.00 -4 -4 4 14.20 1.90 3 4 -4 1.60 1.10 3 4 -4 -1.80 1.30 3 4 -4 3.70 1.90 3 4 -4 0.40 0.70 3 4 -4 0.70 0.70 3 4 -4 -0.60 0.60 3 4 -4 0.60 1.00 3 4 -4 0.50 0.40 -3 -4 4 0.90 0.90 -3 -4 4 0.40 1.00 2 4 -4 8.90 0.90 2 4 -4 6.70 1.50 2 4 -4 12.40 1.80 2 4 -4 8.00 1.20 2 4 -4 12.10 2.10 2 4 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1.80 5 3 -4 6.70 1.30 5 3 -4 4.70 1.10 5 3 -4 5.30 1.50 -5 -3 4 5.80 1.60 -5 -3 4 7.00 1.20 -5 -3 4 6.30 1.90 4 3 -4 2.50 0.70 4 3 -4 1.20 0.90 4 3 -4 1.70 1.80 4 3 -4 2.60 0.40 4 3 -4 3.30 1.50 4 3 -4 2.60 0.80 4 3 -4 1.40 1.40 4 3 -4 2.00 1.10 4 3 -4 2.50 0.70 -4 -3 4 -0.20 1.20 -4 -3 4 3.10 1.40 -4 -3 4 1.30 0.80 3 3 -4 63.39 4.70 3 3 -4 54.09 4.50 3 3 -4 56.89 5.00 3 3 -4 66.69 5.10 3 3 -4 58.59 4.60 3 3 -4 61.89 4.50 3 3 -4 65.99 4.40 3 3 -4 57.09 4.60 3 3 -4 66.59 5.00 -3 -3 4 64.79 4.60 -3 -3 4 56.49 4.40 -3 -3 4 63.39 4.70 -3 -3 4 61.89 5.00 2 3 -4 5.50 0.80 2 3 -4 4.20 1.70 2 3 -4 5.00 0.60 2 3 -4 4.20 0.90 2 3 -4 3.60 1.30 2 3 -4 4.10 0.90 2 3 -4 7.20 1.50 2 3 -4 5.50 0.90 2 3 -4 4.40 1.10 -2 -3 4 4.80 1.40 -2 -3 4 3.00 0.80 -2 -3 4 4.30 0.60 -2 -3 4 5.10 0.80 1 3 -4 100.69 7.80 1 3 -4 111.29 8.00 1 3 -4 117.59 7.60 1 3 -4 95.19 7.70 1 3 -4 100.99 8.10 1 3 -4 109.29 7.70 1 3 -4 108.29 8.10 1 3 -4 107.99 8.00 -1 -3 4 116.19 7.70 -1 -3 4 102.19 8.00 -1 -3 4 98.99 7.70 -1 -3 4 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18.50 4.40 5 10 -5 2.40 5.30 -5 -10 5 8.10 2.50 4 10 -5 132.19 10.70 4 10 -5 126.19 15.40 -4 -10 5 120.19 9.90 3 10 -5 1.70 2.90 3 10 -5 5.60 4.00 3 10 -5 11.50 6.80 3 10 -5 -1.20 4.60 2 10 -5 1.50 3.70 2 10 -5 3.40 3.90 2 10 -5 1.90 2.40 2 10 -5 7.80 5.80 2 10 -5 1.20 1.60 1 10 -5 1.20 2.20 1 10 -5 4.50 5.70 1 10 -5 11.50 5.00 1 10 -5 1.00 3.40 1 10 -5 2.60 1.60 1 10 -5 1.80 1.30 1 10 -5 3.40 2.90 0 10 -5 8.60 2.80 0 10 -5 8.50 1.70 0 10 -5 10.70 5.80 0 10 -5 12.10 2.10 0 10 -5 14.20 4.00 0 10 -5 9.70 2.70 -1 10 -5 5.30 3.90 -1 10 -5 5.00 2.70 -1 10 -5 5.30 5.40 -1 10 -5 6.20 1.60 -1 10 -5 4.50 2.70 -1 10 -5 8.90 1.80 -2 10 -5 16.20 3.50 -2 10 -5 21.00 2.60 -2 10 -5 27.40 5.20 -2 10 -5 25.70 3.10 -2 10 -5 19.20 3.40 -3 10 -5 1.60 3.00 -3 10 -5 -1.10 2.10 -3 10 -5 5.50 5.10 -4 10 -5 2.50 3.10 -4 10 -5 -5.10 2.60 -4 10 -5 -5.10 6.00 -5 10 -5 73.19 7.20 -5 10 -5 87.69 12.00 -6 10 -5 -3.30 3.00 9 9 -5 15.40 3.30 9 9 -5 10.90 3.80 -9 -9 5 8.90 3.70 8 9 -5 -0.30 4.20 8 9 -5 9.20 3.20 8 9 -5 1.60 8.30 -8 -9 5 1.80 4.20 7 9 -5 15.20 9.30 7 9 -5 1.00 4.70 7 9 -5 10.70 3.40 -7 -9 5 12.30 4.60 6 9 -5 48.30 7.40 6 9 -5 64.99 6.10 5 9 -5 -1.40 3.10 5 9 -5 -1.50 4.30 5 9 -5 0.50 2.10 5 9 -5 -4.60 5.10 4 9 -5 9.00 4.20 4 9 -5 11.20 3.10 4 9 -5 6.20 4.50 4 9 -5 10.50 2.00 3 9 -5 2.40 3.50 3 9 -5 2.00 2.20 3 9 -5 2.60 1.50 3 9 -5 3.70 3.00 2 9 -5 3.10 2.50 2 9 -5 3.20 1.50 2 9 -5 5.00 1.60 2 9 -5 5.00 2.30 2 9 -5 4.40 3.50 2 9 -5 11.90 3.20 2 9 -5 5.10 1.20 1 9 -5 74.79 5.80 1 9 -5 93.69 7.80 1 9 -5 76.59 8.30 1 9 -5 63.09 6.90 1 9 -5 67.49 6.40 1 9 -5 77.09 6.20 0 9 -5 16.00 3.30 0 9 -5 19.80 3.40 0 9 -5 22.40 3.00 0 9 -5 22.80 4.80 0 9 -5 26.40 2.30 0 9 -5 24.50 2.40 -1 9 -5 6.30 2.30 -1 9 -5 9.00 4.30 -1 9 -5 3.10 2.40 -1 9 -5 4.10 1.60 -1 9 -5 2.70 1.30 -2 9 -5 11.30 5.40 -2 9 -5 11.70 2.30 -2 9 -5 13.40 3.20 -2 9 -5 13.30 2.00 -2 9 -5 10.60 2.40 -2 9 -5 15.20 1.90 -3 9 -5 3.20 1.90 -3 9 -5 2.50 3.00 -3 9 -5 -0.40 1.10 -3 9 -5 1.20 1.20 -3 9 -5 -0.30 2.10 -4 9 -5 35.40 3.50 -4 9 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35.70 4.90 7 4 -6 27.70 3.00 7 4 -6 24.90 3.10 7 4 -6 34.30 4.60 7 4 -6 34.90 2.90 7 4 -6 33.60 3.80 -7 -4 6 33.80 2.90 6 4 -6 46.30 5.40 6 4 -6 60.69 5.00 6 4 -6 49.20 4.30 6 4 -6 51.39 4.20 6 4 -6 53.99 5.80 6 4 -6 50.09 4.30 5 4 -6 72.59 5.70 5 4 -6 73.99 6.60 5 4 -6 70.19 5.80 5 4 -6 84.79 6.80 5 4 -6 74.59 6.30 5 4 -6 69.69 5.70 4 4 -6 11.80 2.30 4 4 -6 10.50 2.40 4 4 -6 6.70 2.30 4 4 -6 15.30 1.90 4 4 -6 11.30 1.60 4 4 -6 10.90 1.70 4 4 -6 13.40 2.90 3 4 -6 155.78 11.70 3 4 -6 162.68 11.40 3 4 -6 151.98 11.20 3 4 -6 150.78 10.80 3 4 -6 146.29 10.60 -3 -4 6 141.49 10.90 -3 -4 6 137.59 11.00 2 4 -6 -3.10 1.80 2 4 -6 0.70 1.20 2 4 -6 -0.20 1.40 2 4 -6 -0.80 0.50 2 4 -6 0.50 0.60 2 4 -6 -1.40 1.10 -2 -4 6 0.70 0.90 -2 -4 6 1.00 1.20 1 4 -6 1.80 1.10 1 4 -6 4.40 1.80 1 4 -6 2.00 1.20 1 4 -6 2.40 1.40 1 4 -6 3.10 0.70 1 4 -6 2.70 0.60 -1 -4 6 1.60 0.80 -1 -4 6 1.60 0.50 -1 -4 6 2.50 1.00 0 4 -6 8.00 1.30 0 4 -6 9.00 1.00 0 4 -6 9.00 1.70 0 4 -6 10.60 1.10 0 4 -6 12.00 2.40 0 4 -6 7.60 1.70 0 4 -6 7.70 1.30 0 4 -6 7.90 1.60 0 -4 6 8.20 1.10 0 -4 6 8.80 1.00 0 -4 6 8.50 1.20 0 -4 6 9.20 1.30 -1 4 -6 5.20 1.60 -1 4 -6 2.50 1.20 -1 4 -6 4.50 0.70 -1 4 -6 4.10 0.60 -1 4 -6 2.20 0.90 -1 4 -6 3.80 0.80 -1 4 -6 1.70 1.40 -1 4 -6 2.40 1.30 1 -4 6 3.20 0.60 1 -4 6 2.70 1.00 1 -4 6 3.10 0.50 1 -4 6 3.70 1.00 -2 4 -6 13.00 2.00 -2 4 -6 14.50 2.20 -2 4 -6 9.30 2.00 -2 4 -6 11.70 1.60 -2 4 -6 12.30 1.60 -2 4 -6 12.80 2.50 -2 4 -6 9.50 1.10 -2 4 -6 9.50 1.30 2 -4 6 12.60 1.40 2 -4 6 12.50 1.40 2 -4 6 11.40 1.40 2 -4 6 14.10 1.60 -3 4 -6 31.30 3.20 -3 4 -6 32.00 3.30 -3 4 -6 36.10 2.70 -3 4 -6 30.20 2.80 -3 4 -6 29.90 2.50 -3 4 -6 32.40 3.60 -3 4 -6 25.40 5.20 3 -4 6 32.80 2.50 3 -4 6 31.30 2.60 3 -4 6 33.90 2.90 -4 4 -6 171.88 13.20 -4 4 -6 176.28 13.60 -4 4 -6 184.68 13.10 -4 4 -6 189.28 13.30 -4 4 -6 209.18 14.40 -4 4 -6 182.78 13.00 4 -4 6 166.88 12.80 4 -4 6 174.38 12.80 4 -4 6 172.58 13.00 -5 4 -6 126.09 9.70 -5 4 -6 133.99 9.80 -5 4 -6 138.69 10.30 -5 4 -6 137.79 9.70 -5 4 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5.30 1.10 4 4 -7 4.10 2.20 4 4 -7 5.80 1.70 4 4 -7 0.20 2.10 3 4 -7 65.09 5.50 3 4 -7 62.09 5.00 3 4 -7 64.89 5.70 3 4 -7 65.49 6.00 2 4 -7 3.70 1.40 2 4 -7 2.20 2.20 2 4 -7 3.50 1.80 2 4 -7 2.40 1.70 2 4 -7 4.10 0.90 -2 -4 7 3.00 1.70 -2 -4 7 3.00 1.30 1 4 -7 2.20 2.00 1 4 -7 1.30 0.70 1 4 -7 0.20 1.30 1 4 -7 1.80 1.60 1 4 -7 -0.40 0.80 1 4 -7 2.10 1.20 -1 -4 7 -0.90 1.50 -1 -4 7 -0.20 1.00 0 4 -7 164.78 10.70 0 4 -7 148.19 11.40 0 4 -7 151.08 11.20 0 4 -7 150.88 11.10 0 4 -7 138.19 11.50 0 4 -7 148.99 10.80 0 -4 7 136.99 10.80 0 -4 7 146.49 10.70 -1 4 -7 15.20 1.80 -1 4 -7 20.50 2.90 -1 4 -7 16.70 1.70 -1 4 -7 15.30 2.90 -1 4 -7 17.70 2.60 -1 4 -7 14.60 2.40 1 -4 7 15.80 2.00 -2 4 -7 40.40 3.00 -2 4 -7 34.40 4.00 -2 4 -7 29.70 3.80 -2 4 -7 34.30 3.60 -2 4 -7 37.20 3.10 -2 4 -7 36.90 3.80 -3 4 -7 39.70 4.30 -3 4 -7 46.30 3.40 -3 4 -7 34.20 4.40 -3 4 -7 39.40 3.50 -3 4 -7 42.60 4.00 -3 4 -7 38.40 4.00 -4 4 -7 9.10 1.80 -4 4 -7 9.90 1.60 -4 4 -7 12.60 2.10 -4 4 -7 9.00 2.60 4 -4 7 11.80 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-17 6.10 3.70 1 11 17 -1.20 3.60 1 11 17 -1.00 2.30 -2 -11 -17 4.90 3.60 -2 -11 -17 -6.60 3.80 2 11 17 4.80 3.50 2 11 17 -2.90 2.50 -3 -11 -17 -4.40 3.80 -3 -11 -17 0.20 3.50 3 11 17 1.10 2.70 3 11 17 -3.40 3.30 -4 -11 -17 46.90 6.20 4 11 17 44.20 6.40 4 11 17 43.00 4.90 -5 -11 -17 13.70 4.00 5 11 17 19.30 4.20 5 11 17 20.90 3.70 -2 -12 -17 -1.80 3.10 -2 -12 -17 -0.50 3.60 2 12 17 0.30 2.30 -3 -12 -17 2.10 3.50 -3 -12 -17 1.70 3.20 3 12 17 -0.10 2.30 _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 95712 _shelx_SHELXL_version_number '2014/7' _olex2_date_sample_data_collection 2016-02-17 _olex2_date_sample_submission 2016-01-28 _olex2_exptl_crystal_mounting_method 'mounted on a cryoloop' _olex2_submission_original_sample_id SLB-1-197 _olex2_submission_special_instructions 'No special instructions were received'