#------------------------------------------------------------------------------ #$Date: 2021-08-11 05:15:44 +0300 (Wed, 11 Aug 2021) $ #$Revision: 268023 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/24/38/2243897.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2243897 loop_ _publ_author_name 'Whited, Matthew T.' 'Ball, Margaret A.' 'Block, Alison' 'Brewster, Benjamin A.' 'Ferrer, LouLou' 'Jin-Lee, Helen J.' 'King, Colby J.' 'North, Jamie D.' 'Shelton, Inger L.' 'Wilson, David G.' _publ_section_title ; Crystal structures of phosphine-supported (\h^5^-cyclopentadienyl)molybdenum(II) propionyl complexes ; _journal_coeditor_code JQ2008 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first ; ; _journal_paper_doi 10.1107/S2056989021008008 _journal_volume 77 _journal_year 2021 _chemical_formula_iupac '[Mo (C5 H5) (C3 H5 O) (C21 H21 O3 P) (C O)2], C H2 Cl2' _chemical_formula_moiety 'C31 H31 Mo O6 P, C H2 Cl2' _chemical_formula_sum 'C32 H33 Cl2 Mo O6 P' _chemical_formula_weight 711.39 _chemical_name_common CpMo(CO)2(P(4-MeOPh)3)(COEt) _chemical_name_systematic 'Dicarbonyl(\h^5^-cyclopentadienyl)propionyl[tris(4-methoxyphenyl)phosphane-\kP]molybdenum(II) dichloromethane solvate' _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary difmap _cell_angle_alpha 97.660(2) _cell_angle_beta 104.759(2) _cell_angle_gamma 107.081(2) _cell_formula_units_Z 2 _cell_length_a 10.5308(6) _cell_length_b 12.1305(7) _cell_length_c 13.6154(8) _cell_measurement_reflns_used 9554 _cell_measurement_temperature 170.(2) _cell_measurement_theta_max 36.2946 _cell_measurement_theta_min 3.0250 _cell_volume 1566.43(16) _computing_cell_refinement ; SAINT (Bruker, 2019) ; _computing_data_collection ; BIS (Bruker, 2019) ; _computing_data_reduction ; SAINT (Bruker, 2019) ; _computing_molecular_graphics ; Mercury (Macrae et al., 2020) ; _computing_publication_material ; publCIF (Westrip, 2010) ; _computing_structure_refinement ; SHELXL2018/3 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2018/2 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 170.(2) _diffrn_detector_area_resol_mean 7.3910 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device 'Fixed--\c Diffractometer' _diffrn_measurement_device_type 'Bruker D8 QUEST ECO' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator 'Curved Graphite' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0287 _diffrn_reflns_av_unetI/netI 0.0144 _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 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 81820 _diffrn_reflns_theta_full 25.24 _diffrn_reflns_theta_max 30.51 _diffrn_reflns_theta_min 2.27 _diffrn_source 'sealed tube' _diffrn_source_current 20.0 _diffrn_source_power 1.00 _diffrn_source_voltage 50 _exptl_absorpt_coefficient_mu 0.683 _exptl_absorpt_correction_T_max 0.92 _exptl_absorpt_correction_T_min 0.84 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (Krause et al., 2015) ; _exptl_crystal_colour 'pale yellow' _exptl_crystal_density_diffrn 1.508 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 728 _exptl_crystal_size_max 0.230 _exptl_crystal_size_mid 0.210 _exptl_crystal_size_min 0.120 _refine_diff_density_max 0.403 _refine_diff_density_min -0.484 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.061 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 393 _refine_ls_number_reflns 9578 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.061 _refine_ls_R_factor_all 0.0218 _refine_ls_R_factor_gt 0.0202 _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^)+(0.0226P)^2^+0.7135P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0529 _refine_ls_wR_factor_ref 0.0538 _reflns_number_gt 9053 _reflns_number_total 9578 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file jq2008sup1.cif 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1.83 -9 1 0 52.81 1.77 -9 1 0 53.65 1.89 -9 1 0 49.18 1.55 -9 1 0 50.78 1.56 -9 1 0 46.13 1.76 -9 1 0 53.52 1.86 -9 1 0 51.91 1.74 8 -1 0 36.47 1.34 8 -1 0 35.18 1.20 8 -1 0 34.72 1.30 8 -1 0 35.92 1.22 -8 1 0 36.78 1.35 -8 1 0 36.02 1.27 -8 1 0 34.50 1.11 -8 1 0 34.10 1.11 -8 1 0 32.19 1.33 -8 1 0 33.61 1.20 -8 1 0 36.12 1.26 7 -1 0 59.01 2.03 7 -1 0 64.56 1.95 7 -1 0 62.54 1.95 7 -1 0 65.52 2.04 -7 1 0 59.96 1.95 -7 1 0 63.64 2.05 -7 1 0 61.59 1.94 -7 1 0 63.83 1.97 -7 1 0 63.93 1.99 -7 1 0 63.48 2.07 -7 1 0 61.64 1.86 -7 1 0 61.93 1.85 6 -1 0 12.28 0.58 6 -1 0 12.68 0.57 6 -1 0 12.75 0.53 6 -1 0 12.34 0.52 -6 1 0 12.07 0.52 -6 1 0 12.27 0.54 -6 1 0 12.38 0.59 -6 1 0 12.23 0.51 -6 1 0 12.59 0.46 -6 1 0 12.31 0.45 -6 1 0 11.81 0.57 -6 1 0 12.13 0.55 -6 1 0 11.96 0.52 -6 1 0 13.58 0.60 5 -1 0 4.78 0.28 5 -1 0 5.00 0.32 5 -1 0 4.32 0.27 -5 1 0 4.21 0.28 -5 1 0 4.88 0.26 -5 1 0 4.97 0.29 -5 1 0 4.53 0.30 -5 1 0 5.02 0.28 -5 1 0 4.71 0.31 -5 1 0 4.44 0.30 -5 1 0 5.04 0.22 -5 1 0 4.90 0.28 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2.08 -6 2 0 70.00 2.04 -6 2 0 71.23 2.10 5 -2 0 293.74 8.10 5 -2 0 283.57 8.09 5 -2 0 294.53 7.97 5 -2 0 286.11 8.06 5 -2 0 289.40 8.07 -5 2 0 291.88 7.97 -5 2 0 281.88 8.08 -5 2 0 287.20 7.98 -5 2 0 292.99 8.07 -5 2 0 272.96 8.06 -5 2 0 300.15 8.12 -5 2 0 292.77 7.99 -5 2 0 261.18 8.00 -5 2 0 274.48 8.09 4 -2 0 435.63 11.63 4 -2 0 421.89 11.52 4 -2 0 410.31 11.61 4 -2 0 406.35 11.59 4 -2 0 414.08 11.58 4 -2 0 432.38 11.63 -4 2 0 414.37 11.61 -4 2 0 411.11 11.54 -4 2 0 426.68 11.63 -4 2 0 419.38 11.52 -4 2 0 422.97 11.52 -4 2 0 388.92 11.60 -4 2 0 416.14 11.61 -4 2 0 386.60 11.57 -4 2 0 430.00 11.52 3 -2 0 959.79 27.75 -3 2 0 1000.00 27.79 2 -2 0 360.58 10.00 2 -2 0 341.06 9.99 -2 2 0 355.46 9.92 -2 2 0 371.57 10.00 -2 2 0 381.36 10.01 -2 2 0 349.48 9.92 0 -2 0 96.76 2.65 0 -2 0 85.05 2.65 0 -2 0 92.61 2.67 0 -2 0 94.00 2.66 0 -2 0 97.92 2.63 0 -2 0 96.90 2.63 0 2 0 97.49 2.65 0 2 0 91.60 2.65 0 2 0 101.02 2.63 0 2 0 94.90 2.66 0 2 0 86.23 2.66 0 2 0 96.42 2.67 0 2 0 88.35 2.67 0 2 0 98.47 2.66 0 2 0 93.82 2.62 -1 -2 0 275.43 8.00 -1 -2 0 292.37 7.94 -1 -2 0 288.56 7.98 -1 -2 0 286.61 8.00 -1 -2 0 294.97 8.00 1 2 0 293.53 7.94 1 2 0 280.25 8.00 1 2 0 265.02 7.99 1 2 0 292.67 7.99 1 2 0 298.39 8.01 1 2 0 285.83 7.98 1 2 0 288.81 7.98 -2 -2 0 57.94 1.67 -2 -2 0 48.54 1.64 -2 -2 0 57.07 1.61 -2 -2 0 55.95 1.65 -2 -2 0 56.63 1.58 2 2 0 55.84 1.65 2 2 0 57.93 1.58 2 2 0 48.30 1.65 2 2 0 55.53 1.62 2 2 0 53.34 1.65 2 2 0 56.16 1.60 2 2 0 50.75 1.63 -3 -2 0 27.20 0.82 -3 -2 0 29.24 0.91 -3 -2 0 28.65 0.90 -3 -2 0 25.78 0.97 -3 -2 0 27.77 0.97 -3 -2 0 31.15 0.99 3 2 0 28.63 0.96 3 2 0 27.62 0.96 3 2 0 29.12 0.94 3 2 0 29.80 0.90 3 2 0 28.27 0.90 3 2 0 28.57 0.83 3 2 0 28.78 0.98 -4 -2 0 27.06 1.02 -4 -2 0 28.60 0.93 -4 -2 0 29.67 1.04 -4 -2 0 28.33 1.01 -4 -2 0 28.92 1.01 -4 -2 0 29.56 0.92 4 2 0 26.71 0.98 4 2 0 28.25 0.91 4 2 0 28.51 0.85 4 2 0 28.41 1.02 4 2 0 29.05 0.93 4 2 0 27.36 0.97 4 2 0 28.36 1.00 -5 -2 0 47.34 1.51 -5 -2 0 49.83 1.65 -5 -2 0 49.29 1.61 -5 -2 0 49.72 1.50 -5 -2 0 46.69 1.59 5 2 0 48.38 1.58 5 2 0 49.73 1.53 5 2 0 46.65 1.58 5 2 0 48.16 1.43 5 2 0 49.10 1.63 -6 -2 0 21.66 0.76 -6 -2 0 20.75 0.91 -6 -2 0 21.10 0.74 -6 -2 0 21.10 0.79 -6 -2 0 21.59 0.88 -6 -2 0 21.13 0.87 6 2 0 20.15 0.85 6 2 0 20.86 0.81 6 2 0 22.12 0.91 6 2 0 21.04 0.70 -7 -2 0 1.09 0.26 -7 -2 0 1.66 0.27 -7 -2 0 1.28 0.25 -7 -2 0 1.40 0.18 -7 -2 0 1.26 0.16 7 2 0 1.28 0.20 7 2 0 1.49 0.15 7 2 0 1.24 0.24 7 2 0 1.36 0.25 -8 -2 0 21.98 0.83 -8 -2 0 22.47 1.06 -8 -2 0 23.39 1.01 -8 -2 0 21.72 0.81 -8 -2 0 23.57 1.02 8 2 0 22.15 0.99 8 2 0 22.67 0.78 8 2 0 23.40 1.05 8 2 0 23.35 0.94 -9 -2 0 0.49 0.23 -9 -2 0 0.17 0.21 -9 -2 0 0.44 0.13 -9 -2 0 0.19 0.13 -9 -2 0 0.48 0.23 9 2 0 0.18 0.16 9 2 0 0.37 0.22 9 2 0 0.42 0.11 9 2 0 0.72 0.26 -10 -2 0 0.15 0.22 -10 -2 0 0.29 0.21 -10 -2 0 0.01 0.12 -10 -2 0 0.18 0.21 10 2 0 0.06 0.16 10 2 0 -0.04 0.10 10 2 0 0.09 0.20 10 2 0 0.23 0.22 -11 -2 0 0.29 0.24 -11 -2 0 0.16 0.22 -11 -2 0 0.31 0.24 -11 -2 0 0.46 0.16 11 2 0 0.14 0.24 11 2 0 0.48 0.25 11 2 0 0.14 0.20 -12 -2 0 1.55 0.37 -12 -2 0 1.09 0.37 -12 -2 0 1.40 0.37 -12 -2 0 1.75 0.42 -12 -2 0 1.43 0.21 12 2 0 1.30 0.35 12 2 0 1.41 0.32 14 -3 0 4.37 0.59 14 -3 0 5.27 0.68 14 -3 0 4.73 0.49 -14 3 0 4.58 0.65 -14 3 0 4.43 0.47 -14 3 0 5.08 0.60 -14 3 0 5.78 0.56 13 -3 0 6.98 0.55 13 -3 0 5.91 0.51 13 -3 0 6.13 0.67 13 -3 0 6.72 0.64 -13 3 0 6.89 0.72 -13 3 0 7.06 0.63 -13 3 0 6.15 0.50 -13 3 0 7.18 0.57 12 -3 0 11.97 0.82 12 -3 0 11.59 0.68 12 -3 0 11.23 0.76 12 -3 0 11.47 0.65 -12 3 0 11.06 0.81 -12 3 0 10.83 0.61 -12 3 0 10.46 0.65 -12 3 0 10.78 0.75 11 -3 0 0.11 0.16 11 -3 0 0.44 0.22 11 -3 0 0.25 0.17 11 -3 0 0.61 0.23 -11 3 0 0.09 0.18 -11 3 0 0.12 0.15 -11 3 0 0.46 0.11 -11 3 0 0.26 0.22 -11 3 0 0.72 0.21 -11 3 0 0.22 0.11 10 -3 0 17.31 0.80 10 -3 0 17.34 0.81 10 -3 0 18.64 0.90 10 -3 0 16.98 0.89 -10 3 0 17.59 0.64 -10 3 0 17.13 0.64 -10 3 0 18.35 0.88 -10 3 0 18.10 0.93 -10 3 0 17.06 0.74 -10 3 0 15.02 0.75 9 -3 0 5.12 0.41 9 -3 0 5.36 0.45 9 -3 0 4.22 0.37 9 -3 0 5.21 0.45 -9 3 0 4.82 0.28 -9 3 0 5.22 0.29 -9 3 0 5.47 0.48 -9 3 0 5.11 0.37 -9 3 0 6.19 0.46 -9 3 0 5.23 0.32 -9 3 0 4.63 0.34 8 -3 0 37.08 1.35 8 -3 0 35.37 1.29 8 -3 0 35.89 1.36 8 -3 0 37.02 1.31 8 -3 0 35.74 1.14 -8 3 0 35.62 1.15 -8 3 0 36.20 1.23 -8 3 0 37.03 1.32 -8 3 0 37.16 1.21 -8 3 0 38.34 1.39 -8 3 0 35.56 1.18 7 -3 0 18.86 0.79 7 -3 0 18.59 0.63 7 -3 0 17.92 0.76 7 -3 0 17.54 0.77 7 -3 0 17.73 0.74 -7 3 0 18.26 0.74 -7 3 0 17.11 0.74 -7 3 0 17.58 0.67 -7 3 0 16.65 0.73 -7 3 0 18.31 0.65 -7 3 0 17.23 0.62 -7 3 0 18.43 0.80 -7 3 0 17.88 0.63 6 -3 0 83.21 2.58 6 -3 0 81.26 2.43 6 -3 0 88.33 2.60 6 -3 0 84.75 2.55 6 -3 0 83.95 2.57 -6 3 0 83.74 2.59 -6 3 0 80.04 2.56 -6 3 0 85.29 2.44 -6 3 0 85.29 2.46 -6 3 0 85.89 2.44 -6 3 0 76.19 2.69 -6 3 0 86.15 2.43 -6 3 0 86.15 2.54 5 -3 0 0.89 0.16 5 -3 0 0.67 0.15 5 -3 0 0.93 0.17 5 -3 0 1.06 0.13 5 -3 0 1.12 0.16 5 -3 0 1.01 0.14 -5 3 0 1.02 0.16 -5 3 0 0.83 0.10 -5 3 0 0.74 0.14 -5 3 0 0.92 0.11 -5 3 0 1.18 0.13 -5 3 0 0.76 0.13 -5 3 0 0.92 0.16 -5 3 0 1.19 0.13 -5 3 0 0.81 0.15 4 -3 0 6.97 0.31 4 -3 0 6.68 0.29 4 -3 0 6.45 0.34 4 -3 0 7.00 0.35 4 -3 0 6.84 0.37 4 -3 0 7.04 0.35 -4 3 0 7.03 0.31 -4 3 0 6.97 0.24 -4 3 0 6.93 0.24 -4 3 0 6.46 0.34 -4 3 0 6.71 0.29 -4 3 0 6.65 0.35 -4 3 0 6.32 0.35 -4 3 0 6.74 0.26 3 -3 0 68.28 1.99 3 -3 0 67.43 1.92 3 -3 0 68.29 1.98 3 -3 0 66.85 2.01 3 -3 0 63.39 1.97 3 -3 0 62.07 1.97 3 -3 0 68.56 1.94 -3 3 0 65.41 1.98 -3 3 0 66.02 1.86 -3 3 0 66.79 1.87 -3 3 0 67.01 1.94 -3 3 0 69.40 1.92 2 -3 0 46.16 1.25 2 -3 0 45.79 1.33 2 -3 0 45.51 1.32 2 -3 0 43.70 1.36 2 -3 0 42.89 1.33 2 -3 0 45.26 1.33 2 -3 0 43.07 1.33 2 -3 0 40.76 1.27 -2 3 0 44.63 1.33 -2 3 0 44.88 1.34 -2 3 0 42.70 1.32 -2 3 0 43.90 1.27 -2 3 0 43.75 1.25 1 -3 0 465.98 12.48 1 -3 0 441.11 12.54 -1 3 0 441.86 12.53 -1 3 0 458.94 12.48 0 -3 0 36.30 1.10 0 -3 0 36.06 1.07 0 -3 0 34.98 1.07 0 -3 0 32.75 1.04 0 -3 0 34.80 1.09 0 -3 0 33.72 1.10 0 -3 0 35.80 1.03 0 3 0 35.36 1.11 0 3 0 35.30 1.07 0 3 0 35.84 1.08 0 3 0 38.75 1.09 0 3 0 35.87 1.10 0 3 0 36.57 1.07 0 3 0 34.35 1.08 0 3 0 36.92 1.05 -1 -3 0 28.02 0.82 -1 -3 0 27.42 0.90 -1 -3 0 25.05 0.80 -1 -3 0 27.67 0.77 -1 -3 0 24.62 0.88 -1 -3 0 28.69 0.88 -1 -3 0 27.90 0.89 1 3 0 27.62 0.88 1 3 0 24.84 0.81 1 3 0 27.63 0.89 1 3 0 25.96 0.88 1 3 0 26.93 0.77 1 3 0 28.28 0.88 1 3 0 28.35 0.87 1 3 0 28.23 0.81 -2 -3 0 529.32 15.28 -2 -3 0 570.51 15.18 -2 -3 0 568.42 15.24 -2 -3 0 567.74 15.29 2 3 0 568.39 15.18 2 3 0 566.55 15.29 2 3 0 552.28 15.29 2 3 0 536.08 15.26 2 3 0 526.40 15.27 2 3 0 499.80 15.23 2 3 0 550.66 15.23 -3 -3 0 355.03 9.68 -3 -3 0 336.31 9.74 -3 -3 0 355.95 9.76 -3 -3 0 306.90 9.73 -3 -3 0 351.61 9.63 3 3 0 330.03 9.73 3 3 0 348.63 9.74 3 3 0 352.18 9.70 3 3 0 355.55 9.77 3 3 0 345.05 9.67 3 3 0 357.40 9.77 3 3 0 356.46 9.63 -4 -3 0 131.73 3.96 -4 -3 0 137.82 3.95 -4 -3 0 130.75 3.80 -4 -3 0 130.68 4.05 -4 -3 0 128.10 3.69 -4 -3 0 138.64 4.08 -4 -3 0 134.76 3.84 4 3 0 131.04 3.69 4 3 0 134.80 3.89 4 3 0 136.47 3.82 4 3 0 130.72 3.83 4 3 0 129.71 3.91 4 3 0 135.49 3.96 -5 -3 0 10.17 0.45 -5 -3 0 10.51 0.56 -5 -3 0 10.55 0.46 -5 -3 0 10.30 0.53 5 3 0 9.58 0.44 5 3 0 10.62 0.52 5 3 0 10.08 0.45 5 3 0 10.00 0.55 5 3 0 10.42 0.34 -6 -3 0 20.78 0.88 -6 -3 0 19.17 0.74 -6 -3 0 17.72 0.83 -6 -3 0 19.95 0.74 -6 -3 0 20.06 0.89 6 3 0 18.82 0.82 6 3 0 19.03 0.87 6 3 0 19.44 0.75 6 3 0 19.07 0.61 -7 -3 0 38.92 1.48 -7 -3 0 38.22 1.29 -7 -3 0 39.39 1.32 -7 -3 0 40.94 1.53 -7 -3 0 41.68 1.49 7 3 0 38.09 1.18 7 3 0 41.25 1.37 7 3 0 38.44 1.50 7 3 0 38.28 1.43 -8 -3 0 36.68 1.42 -8 -3 0 35.25 1.23 -8 -3 0 36.49 1.43 -8 -3 0 35.82 1.48 8 3 0 35.78 1.30 8 3 0 37.36 1.48 8 3 0 34.18 1.10 8 3 0 36.52 1.40 -9 -3 0 22.06 1.04 -9 -3 0 22.58 1.06 -9 -3 0 22.47 1.11 -9 -3 0 21.58 0.84 9 3 0 20.83 0.71 9 3 0 21.90 1.09 9 3 0 19.05 0.90 9 3 0 21.57 1.02 -10 -3 0 15.70 0.90 -10 -3 0 15.19 0.94 -10 -3 0 14.68 0.66 -10 -3 0 17.09 0.92 10 3 0 16.36 0.90 10 3 0 14.30 0.76 10 3 0 14.15 0.54 10 3 0 15.77 0.94 -11 -3 0 24.99 0.99 -11 -3 0 28.38 1.31 -11 -3 0 27.34 1.37 -11 -3 0 27.61 1.31 11 3 0 27.66 1.30 11 3 0 26.72 1.35 11 3 0 25.11 1.14 -12 -3 0 6.51 0.67 -12 -3 0 5.83 0.68 -12 -3 0 6.87 0.67 -12 -3 0 5.71 0.43 12 3 0 6.77 0.66 12 3 0 6.13 0.55 14 -4 0 0.15 0.22 14 -4 0 -0.29 0.23 14 -4 0 0.31 0.22 14 -4 0 0.45 0.26 -14 4 0 0.07 0.30 -14 4 0 -0.12 0.18 -14 4 0 0.55 0.20 -14 4 0 0.35 0.26 13 -4 0 -0.06 0.18 13 -4 0 -0.19 0.19 13 -4 0 -0.22 0.19 13 -4 0 -0.13 0.24 -13 4 0 -0.24 0.23 -13 4 0 -0.09 0.16 -13 4 0 -0.12 0.19 -13 4 0 0.30 0.21 12 -4 0 1.00 0.31 12 -4 0 0.87 0.29 12 -4 0 1.38 0.28 12 -4 0 1.15 0.26 -12 4 0 0.94 0.25 -12 4 0 1.13 0.16 -12 4 0 1.21 0.21 -12 4 0 1.00 0.27 -12 4 0 1.06 0.33 11 -4 0 12.52 0.70 11 -4 0 13.30 0.72 11 -4 0 13.82 0.80 11 -4 0 13.71 0.81 -11 4 0 12.32 0.59 -11 4 0 11.91 0.72 -11 4 0 13.59 0.65 -11 4 0 12.06 0.52 -11 4 0 13.00 0.52 -11 4 0 13.08 0.82 10 -4 0 2.62 0.38 10 -4 0 2.55 0.33 10 -4 0 2.19 0.31 -10 4 0 2.77 0.27 -10 4 0 2.71 0.29 -10 4 0 2.51 0.25 -10 4 0 2.89 0.40 -10 4 0 2.68 0.23 -10 4 0 2.56 0.34 9 -4 0 4.84 0.44 9 -4 0 5.55 0.45 9 -4 0 5.10 0.41 9 -4 0 4.95 0.29 9 -4 0 5.67 0.43 -9 4 0 4.99 0.41 -9 4 0 5.62 0.35 -9 4 0 5.22 0.46 -9 4 0 4.95 0.29 -9 4 0 4.92 0.29 -9 4 0 5.21 0.32 8 -4 0 3.05 0.34 8 -4 0 3.34 0.33 8 -4 0 3.48 0.23 8 -4 0 3.63 0.36 8 -4 0 3.78 0.36 -8 4 0 3.59 0.37 -8 4 0 3.84 0.24 -8 4 0 3.44 0.26 -8 4 0 3.26 0.24 -8 4 0 3.19 0.22 -8 4 0 3.41 0.32 7 -4 0 50.55 1.70 7 -4 0 49.99 1.54 7 -4 0 49.79 1.68 7 -4 0 49.79 1.71 7 -4 0 50.05 1.71 -7 4 0 49.82 1.49 -7 4 0 49.20 1.54 -7 4 0 50.09 1.54 -7 4 0 50.57 1.51 -7 4 0 51.76 1.72 -7 4 0 51.94 1.64 6 -4 0 176.94 5.11 6 -4 0 180.18 5.11 6 -4 0 176.54 5.08 6 -4 0 175.97 4.96 6 -4 0 176.72 5.12 6 -4 0 169.69 5.01 -6 4 0 178.16 4.89 -6 4 0 174.74 4.93 -6 4 0 167.13 5.10 -6 4 0 181.55 5.02 -6 4 0 172.91 4.89 -6 4 0 175.21 4.96 -6 4 0 167.66 5.09 5 -4 0 33.86 1.07 5 -4 0 33.65 1.05 5 -4 0 33.33 1.14 5 -4 0 34.06 1.14 5 -4 0 29.88 1.11 5 -4 0 33.93 1.17 5 -4 0 32.59 1.14 -5 4 0 33.63 0.99 -5 4 0 32.34 1.13 -5 4 0 33.77 1.06 -5 4 0 34.53 1.16 -5 4 0 34.04 1.07 -5 4 0 31.93 1.16 4 -4 0 256.88 7.14 4 -4 0 257.90 7.14 4 -4 0 257.69 7.13 4 -4 0 243.39 7.06 4 -4 0 245.46 7.17 4 -4 0 256.99 7.04 4 -4 0 240.67 7.11 -4 4 0 252.41 7.07 -4 4 0 255.05 7.14 -4 4 0 261.04 7.14 -4 4 0 257.53 7.04 -4 4 0 236.81 7.15 3 -4 0 9.61 0.41 3 -4 0 9.33 0.41 3 -4 0 8.44 0.38 3 -4 0 9.99 0.42 3 -4 0 9.56 0.41 3 -4 0 10.07 0.45 3 -4 0 9.76 0.35 -3 4 0 9.07 0.41 -3 4 0 9.76 0.41 -3 4 0 9.58 0.34 -3 4 0 8.79 0.39 2 -4 0 62.75 1.86 2 -4 0 63.26 1.78 2 -4 0 63.54 1.84 2 -4 0 61.23 1.88 2 -4 0 63.88 1.78 2 -4 0 59.47 1.85 2 -4 0 62.70 1.84 -2 4 0 62.54 1.85 -2 4 0 63.16 1.74 -2 4 0 62.89 1.84 -2 4 0 63.24 1.78 -2 4 0 58.15 1.85 -2 4 0 62.24 1.78 -2 4 0 57.84 1.84 1 -4 0 17.40 0.62 1 -4 0 17.30 0.58 1 -4 0 17.47 0.59 1 -4 0 17.18 0.62 1 -4 0 17.55 0.56 1 -4 0 17.39 0.62 -1 4 0 15.84 0.61 -1 4 0 17.88 0.58 -1 4 0 17.32 0.61 -1 4 0 17.67 0.55 -1 4 0 16.93 0.58 -1 4 0 17.63 0.58 -1 4 0 16.37 0.61 -1 4 0 17.79 0.57 0 -4 0 206.73 5.66 0 -4 0 206.76 5.71 0 -4 0 206.12 5.76 0 -4 0 204.98 5.71 0 -4 0 186.04 5.72 0 -4 0 196.24 5.74 0 4 0 206.39 5.70 0 4 0 204.01 5.72 0 4 0 209.72 5.72 0 4 0 210.03 5.77 0 4 0 209.45 5.67 0 4 0 194.02 5.72 0 4 0 201.13 5.74 0 4 0 199.79 5.70 -1 -4 0 82.56 2.49 -1 -4 0 83.63 2.40 -1 -4 0 87.09 2.48 -1 -4 0 84.37 2.38 -1 -4 0 84.16 2.47 -1 -4 0 86.75 2.50 -1 -4 0 83.46 2.34 1 4 0 85.04 2.38 1 4 0 83.17 2.48 1 4 0 82.55 2.46 1 4 0 86.08 2.48 1 4 0 86.15 2.46 1 4 0 81.24 2.34 1 4 0 74.06 2.44 1 4 0 81.79 2.39 1 4 0 85.53 2.51 -2 -4 0 45.41 1.41 -2 -4 0 42.36 1.43 -2 -4 0 42.12 1.42 -2 -4 0 44.29 1.31 -2 -4 0 43.83 1.44 2 4 0 45.86 1.43 2 4 0 42.13 1.42 2 4 0 43.36 1.39 2 4 0 44.19 1.40 2 4 0 46.84 1.46 2 4 0 46.00 1.45 2 4 0 45.18 1.31 -3 -4 0 14.14 0.63 -3 -4 0 14.85 0.65 -3 -4 0 13.73 0.63 -3 -4 0 14.91 0.52 -3 -4 0 15.31 0.60 3 4 0 15.47 0.53 3 4 0 14.40 0.63 3 4 0 14.29 0.62 3 4 0 15.88 0.67 3 4 0 14.35 0.58 3 4 0 14.95 0.60 3 4 0 15.30 0.66 -4 -4 0 25.44 0.99 -4 -4 0 25.35 0.85 -4 -4 0 25.94 1.01 -4 -4 0 25.44 0.97 -4 -4 0 26.58 0.92 4 4 0 24.53 0.89 4 4 0 26.27 0.86 4 4 0 24.99 0.94 -5 -4 0 2.61 0.32 -5 -4 0 3.17 0.33 -5 -4 0 2.34 0.21 -5 -4 0 2.78 0.30 -5 -4 0 2.58 0.25 5 4 0 2.85 0.32 5 4 0 2.68 0.23 5 4 0 2.66 0.28 5 4 0 2.73 0.23 -6 -4 0 50.55 1.94 -6 -4 0 55.16 1.78 -6 -4 0 59.22 1.96 -6 -4 0 59.02 1.83 -6 -4 0 59.55 2.01 6 4 0 57.08 1.80 6 4 0 57.99 1.92 6 4 0 59.63 2.01 -7 -4 0 0.28 0.15 -7 -4 0 0.38 0.19 -7 -4 0 0.33 0.20 -7 -4 0 0.46 0.20 7 4 0 0.13 0.16 7 4 0 0.26 0.13 7 4 0 0.22 0.17 -8 -4 0 0.75 0.18 -8 -4 0 0.35 0.20 -8 -4 0 0.59 0.25 -8 -4 0 0.45 0.24 8 4 0 0.60 0.23 8 4 0 0.51 0.20 8 4 0 0.32 0.15 -9 -4 0 0.29 0.23 -9 -4 0 0.33 0.24 -9 -4 0 0.36 0.16 -9 -4 0 0.23 0.21 9 4 0 0.57 0.23 9 4 0 0.41 0.22 9 4 0 0.59 0.19 -10 -4 0 2.01 0.38 -10 -4 0 1.85 0.39 -10 -4 0 1.54 0.24 -10 -4 0 1.38 0.38 10 4 0 1.94 0.30 10 4 0 1.38 0.34 10 4 0 1.77 0.33 -11 -4 0 0.00 0.24 -11 -4 0 0.13 0.24 -11 -4 0 0.02 0.16 -11 -4 0 0.05 0.24 11 4 0 -0.12 0.17 11 4 0 0.20 0.24 11 4 0 0.30 0.26 -12 -4 0 0.25 0.28 -12 -4 0 -0.10 0.26 -12 -4 0 0.09 0.26 12 4 0 0.30 0.31 12 4 0 0.07 0.26 12 4 0 -0.38 0.21 14 -5 0 8.59 0.68 14 -5 0 8.92 0.67 14 -5 0 9.28 0.78 14 -5 0 9.43 0.81 -14 5 0 9.94 0.75 -14 5 0 9.19 0.60 -14 5 0 8.87 0.83 13 -5 0 7.42 0.60 13 -5 0 6.68 0.68 13 -5 0 7.60 0.60 13 -5 0 7.94 0.69 -13 5 0 7.19 0.61 -13 5 0 7.29 0.43 -13 5 0 8.25 0.74 -13 5 0 6.69 0.48 12 -5 0 0.86 0.30 12 -5 0 0.81 0.29 12 -5 0 0.88 0.26 12 -5 0 0.99 0.26 -12 5 0 0.64 0.29 -12 5 0 0.94 0.21 -12 5 0 0.84 0.26 -12 5 0 0.99 0.16 -12 5 0 1.03 0.18 11 -5 0 2.74 0.38 11 -5 0 2.39 0.40 11 -5 0 1.91 0.34 11 -5 0 2.25 0.34 -11 5 0 2.13 0.38 -11 5 0 2.27 0.23 -11 5 0 2.08 0.26 -11 5 0 2.42 0.36 -11 5 0 2.26 0.25 -11 5 0 1.68 0.22 10 -5 0 1.54 0.18 10 -5 0 1.43 0.28 10 -5 0 0.87 0.26 10 -5 0 1.28 0.26 -10 5 0 1.71 0.20 -10 5 0 1.65 0.22 -10 5 0 1.60 0.27 -10 5 0 1.41 0.17 -10 5 0 1.47 0.20 -10 5 0 0.95 0.26 9 -5 0 46.82 1.63 9 -5 0 44.38 1.66 9 -5 0 45.41 1.42 9 -5 0 44.72 1.65 9 -5 0 44.68 1.63 -9 5 0 46.78 1.57 -9 5 0 45.36 1.66 -9 5 0 44.07 1.35 -9 5 0 44.05 1.37 -9 5 0 42.64 1.43 -9 5 0 43.62 1.42 8 -5 0 24.23 1.05 8 -5 0 25.59 1.04 8 -5 0 27.03 1.09 8 -5 0 25.90 0.89 8 -5 0 25.57 1.07 -8 5 0 24.95 0.90 -8 5 0 26.38 0.87 -8 5 0 27.75 1.00 -8 5 0 26.61 0.83 -8 5 0 25.79 0.81 -8 5 0 27.75 1.10 7 -5 0 26.22 0.97 7 -5 0 27.39 0.94 7 -5 0 29.30 1.10 7 -5 0 27.86 1.06 7 -5 0 27.74 1.08 7 -5 0 27.23 1.09 -7 5 0 27.08 0.95 -7 5 0 29.36 1.10 -7 5 0 29.37 1.00 -7 5 0 26.77 0.88 6 -5 0 14.51 0.68 6 -5 0 14.84 0.67 6 -5 0 14.73 0.56 6 -5 0 14.37 0.65 6 -5 0 14.01 0.56 -6 5 0 14.37 0.57 -6 5 0 14.17 0.66 -6 5 0 14.22 0.56 -6 5 0 13.79 0.47 5 -5 0 63.19 1.99 5 -5 0 64.83 1.99 5 -5 0 64.25 2.04 5 -5 0 62.76 1.98 5 -5 0 64.97 1.92 5 -5 0 62.66 1.88 5 -5 0 61.08 1.99 -5 5 0 63.70 1.99 -5 5 0 65.94 2.00 -5 5 0 60.29 1.87 -5 5 0 60.66 2.01 -5 5 0 62.91 1.92 4 -5 0 22.15 0.80 4 -5 0 21.48 0.70 4 -5 0 22.86 0.77 4 -5 0 22.54 0.81 4 -5 0 21.74 0.81 4 -5 0 19.06 0.77 -4 5 0 21.48 0.81 -4 5 0 21.54 0.77 -4 5 0 21.68 0.80 -4 5 0 20.67 0.83 -4 5 0 22.03 0.70 3 -5 0 49.96 1.53 3 -5 0 45.30 1.52 3 -5 0 48.70 1.53 3 -5 0 49.11 1.43 3 -5 0 50.63 1.42 3 -5 0 47.49 1.52 -3 5 0 47.98 1.52 -3 5 0 49.17 1.52 -3 5 0 48.45 1.42 -3 5 0 49.74 1.43 -3 5 0 47.18 1.52 -3 5 0 51.41 1.56 2 -5 0 0.45 0.10 2 -5 0 0.21 0.08 2 -5 0 0.25 0.11 2 -5 0 0.08 0.10 2 -5 0 0.19 0.10 2 -5 0 0.34 0.09 2 -5 0 0.25 0.07 -2 5 0 0.10 0.05 -2 5 0 0.22 0.10 -2 5 0 0.16 0.07 -2 5 0 0.19 0.09 -2 5 0 0.17 0.08 -2 5 0 0.13 0.09 -2 5 0 -0.04 0.09 -2 5 0 0.12 0.07 1 -5 0 33.50 1.02 1 -5 0 32.76 1.02 1 -5 0 30.15 1.04 1 -5 0 31.54 1.09 1 -5 0 34.41 1.10 1 -5 0 32.84 1.08 -1 5 0 34.02 1.03 -1 5 0 34.35 1.03 -1 5 0 33.09 1.07 -1 5 0 32.17 1.04 -1 5 0 33.53 1.10 -1 5 0 31.50 1.08 -1 5 0 32.91 1.01 -1 5 0 30.58 1.06 -1 5 0 33.28 1.03 0 -5 0 0.55 0.11 0 -5 0 0.47 0.12 0 -5 0 0.28 0.07 0 -5 0 0.27 0.10 0 -5 0 0.27 0.10 0 -5 0 0.42 0.12 0 5 0 0.28 0.11 0 5 0 0.28 0.08 0 5 0 0.79 0.12 0 5 0 0.42 0.12 0 5 0 0.37 0.08 0 5 0 0.37 0.10 0 5 0 0.28 0.10 0 5 0 0.40 0.11 -1 -5 0 57.40 1.82 -1 -5 0 58.29 1.69 -1 -5 0 57.99 1.79 -1 -5 0 58.32 1.72 -1 -5 0 58.14 1.65 -1 -5 0 59.93 1.83 -1 -5 0 60.82 1.81 1 5 0 54.64 1.80 1 5 0 58.76 1.78 1 5 0 53.42 1.78 1 5 0 56.49 1.83 1 5 0 58.61 1.78 1 5 0 59.06 1.69 1 5 0 56.38 1.71 1 5 0 58.66 1.80 -2 -5 0 7.30 0.39 -2 -5 0 6.49 0.28 -2 -5 0 6.65 0.39 -2 -5 0 6.37 0.40 -2 -5 0 6.62 0.38 2 5 0 6.70 0.36 2 5 0 6.82 0.39 2 5 0 6.40 0.37 2 5 0 6.39 0.36 2 5 0 7.02 0.29 2 5 0 6.52 0.38 -3 -5 0 108.18 3.13 -3 -5 0 107.98 3.32 -3 -5 0 110.64 3.26 3 5 0 109.18 3.13 3 5 0 109.94 3.30 3 5 0 106.94 3.24 3 5 0 112.68 3.33 3 5 0 110.52 3.34 3 5 0 108.57 3.25 -4 -5 0 4.53 0.39 -4 -5 0 3.86 0.24 -4 -5 0 4.16 0.34 -4 -5 0 4.01 0.36 -4 -5 0 3.89 0.31 4 5 0 4.17 0.32 4 5 0 4.13 0.24 4 5 0 4.31 0.37 -5 -5 0 49.73 1.55 -5 -5 0 50.69 1.78 -5 -5 0 51.30 1.66 -5 -5 0 48.75 1.76 -5 -5 0 51.24 1.74 5 5 0 44.24 1.74 5 5 0 51.91 1.57 5 5 0 51.93 1.70 -6 -5 0 5.34 0.48 -6 -5 0 5.47 0.47 -6 -5 0 5.11 0.45 -6 -5 0 5.13 0.32 -6 -5 0 5.20 0.38 6 5 0 5.71 0.48 6 5 0 5.14 0.33 6 5 0 5.27 0.41 -7 -5 0 12.50 0.73 -7 -5 0 11.72 0.60 -7 -5 0 12.43 0.75 -7 -5 0 13.79 0.77 7 5 0 11.17 0.66 7 5 0 11.54 0.56 7 5 0 12.28 0.75 -8 -5 0 2.51 0.39 -8 -5 0 2.48 0.39 -8 -5 0 2.47 0.39 -8 -5 0 2.64 0.32 8 5 0 2.78 0.38 8 5 0 2.73 0.29 8 5 0 2.51 0.39 -9 -5 0 7.56 0.64 -9 -5 0 7.17 0.65 -9 -5 0 8.06 0.69 -9 -5 0 7.07 0.48 9 5 0 7.21 0.46 9 5 0 6.74 0.63 9 5 0 7.34 0.60 -10 -5 0 13.24 0.90 -10 -5 0 12.14 0.86 -10 -5 0 12.57 0.92 -10 -5 0 13.17 0.67 10 5 0 13.05 0.69 10 5 0 13.86 0.93 10 5 0 13.07 0.84 -11 -5 0 9.45 0.85 -11 -5 0 11.17 0.86 -11 -5 0 9.83 0.58 -11 -5 0 10.91 0.82 11 5 0 10.19 0.85 11 5 0 10.51 0.79 11 5 0 8.55 0.60 14 -6 0 0.24 0.23 14 -6 0 0.25 0.25 14 -6 0 0.32 0.26 -14 6 0 -0.22 0.25 -14 6 0 -0.04 0.17 -14 6 0 0.12 0.24 13 -6 0 8.34 0.64 13 -6 0 8.81 0.73 13 -6 0 7.05 0.64 13 -6 0 8.18 0.74 -13 6 0 7.63 0.72 -13 6 0 7.93 0.50 -13 6 0 7.83 0.63 12 -6 0 0.15 0.18 12 -6 0 -0.06 0.19 12 -6 0 0.32 0.21 12 -6 0 0.00 0.21 -12 6 0 0.27 0.20 -12 6 0 0.19 0.14 -12 6 0 0.33 0.25 11 -6 0 2.94 0.26 11 -6 0 3.26 0.40 11 -6 0 3.37 0.43 11 -6 0 2.92 0.42 11 -6 0 3.22 0.44 -11 6 0 3.07 0.29 -11 6 0 3.67 0.29 -11 6 0 3.64 0.47 -11 6 0 3.01 0.37 10 -6 0 12.99 0.72 10 -6 0 11.72 0.74 10 -6 0 10.94 0.51 10 -6 0 12.36 0.72 10 -6 0 11.71 0.72 -10 6 0 11.74 0.63 -10 6 0 11.69 0.54 -10 6 0 11.27 0.50 -10 6 0 11.78 0.73 9 -6 0 0.59 0.14 9 -6 0 0.47 0.21 9 -6 0 0.98 0.23 9 -6 0 0.89 0.23 9 -6 0 0.86 0.24 -9 6 0 0.76 0.15 -9 6 0 0.81 0.23 -9 6 0 0.92 0.20 -9 6 0 0.87 0.14 8 -6 0 1.05 0.24 8 -6 0 1.09 0.17 8 -6 0 1.08 0.22 8 -6 0 1.08 0.24 8 -6 0 1.11 0.22 -8 6 0 1.17 0.14 -8 6 0 0.94 0.17 -8 6 0 1.12 0.20 -8 6 0 0.98 0.24 7 -6 0 11.86 0.60 7 -6 0 11.75 0.62 7 -6 0 10.11 0.48 7 -6 0 10.77 0.49 7 -6 0 11.28 0.63 7 -6 0 11.35 0.61 -7 6 0 11.72 0.51 -7 6 0 10.80 0.50 -7 6 0 11.88 0.62 6 -6 0 28.67 1.06 6 -6 0 27.16 1.05 6 -6 0 27.43 0.92 6 -6 0 28.28 0.97 6 -6 0 27.74 1.04 6 -6 0 27.57 1.09 -6 6 0 27.02 0.96 -6 6 0 26.17 0.92 -6 6 0 28.14 1.06 5 -6 0 37.33 1.37 5 -6 0 37.96 1.23 5 -6 0 36.38 1.29 5 -6 0 38.43 1.29 5 -6 0 35.81 1.15 5 -6 0 36.87 1.29 5 -6 0 37.64 1.34 -5 6 0 38.11 1.16 -5 6 0 35.69 1.23 -5 6 0 37.67 1.30 4 -6 0 30.14 1.02 4 -6 0 28.48 1.03 4 -6 0 29.94 0.92 4 -6 0 30.17 1.04 4 -6 0 29.14 1.03 4 -6 0 29.57 1.09 4 -6 0 29.41 0.86 -4 6 0 27.59 1.01 -4 6 0 28.51 1.01 -4 6 0 29.09 0.91 -4 6 0 28.66 0.87 -4 6 0 30.31 1.05 -4 6 0 28.14 1.06 3 -6 0 0.18 0.12 3 -6 0 0.36 0.11 3 -6 0 0.48 0.10 3 -6 0 0.26 0.10 3 -6 0 0.19 0.10 3 -6 0 0.23 0.11 3 -6 0 0.64 0.09 -3 6 0 0.30 0.13 -3 6 0 0.50 0.13 -3 6 0 0.44 0.12 -3 6 0 0.51 0.14 -3 6 0 0.49 0.09 -3 6 0 0.38 0.11 -3 6 0 0.36 0.08 2 -6 0 217.70 6.09 2 -6 0 226.09 6.21 2 -6 0 221.35 6.22 2 -6 0 200.87 6.11 2 -6 0 225.70 6.15 2 -6 0 195.35 6.18 -2 6 0 219.39 6.18 -2 6 0 223.82 6.16 -2 6 0 224.10 6.22 -2 6 0 215.10 6.11 -2 6 0 225.09 6.10 -2 6 0 207.36 6.20 -2 6 0 216.48 6.19 -2 6 0 219.47 6.14 1 -6 0 78.37 2.36 1 -6 0 78.84 2.39 1 -6 0 79.07 2.30 1 -6 0 79.45 2.35 1 -6 0 80.87 2.40 1 -6 0 79.85 2.30 -1 6 0 78.83 2.30 -1 6 0 81.60 2.41 -1 6 0 77.79 2.33 -1 6 0 75.19 2.35 -1 6 0 73.25 2.29 -1 6 0 80.92 2.36 -1 6 0 78.76 2.29 -1 6 0 77.73 2.38 -1 6 0 72.08 2.30 0 -6 0 106.69 3.13 0 -6 0 104.41 2.99 0 -6 0 106.19 3.11 0 -6 0 104.78 3.06 0 -6 0 105.29 3.07 0 -6 0 104.01 3.13 0 6 0 97.65 3.09 0 6 0 100.90 3.05 0 6 0 104.43 3.00 0 6 0 108.82 3.15 0 6 0 101.23 3.10 0 6 0 106.83 3.08 0 6 0 105.39 3.09 0 6 0 106.36 3.00 0 6 0 105.66 3.06 -1 -6 0 90.90 2.75 -1 -6 0 91.27 2.64 -1 -6 0 90.81 2.78 -1 -6 0 94.89 2.80 -1 -6 0 91.77 2.81 -1 -6 0 92.07 2.60 -1 -6 0 82.38 2.66 1 6 0 93.20 2.64 1 6 0 93.63 2.82 1 6 0 90.60 2.67 1 6 0 91.99 2.77 1 6 0 89.37 2.77 1 6 0 94.41 2.75 1 6 0 96.33 2.78 1 6 0 92.06 2.75 -2 -6 0 79.52 2.50 -2 -6 0 81.29 2.37 -2 -6 0 79.23 2.35 -2 -6 0 81.13 2.62 -2 -6 0 84.96 2.56 2 6 0 81.25 2.51 2 6 0 81.97 2.49 2 6 0 82.23 2.35 2 6 0 80.91 2.36 2 6 0 80.77 2.53 2 6 0 81.63 2.56 -3 -6 0 76.45 2.42 -3 -6 0 73.74 2.36 -3 -6 0 74.83 2.35 -3 -6 0 73.19 2.19 3 6 0 74.02 2.40 3 6 0 75.76 2.34 3 6 0 76.24 2.43 3 6 0 74.95 2.19 -4 -6 0 0.46 0.15 -4 -6 0 0.38 0.16 -4 -6 0 0.49 0.18 -4 -6 0 0.52 0.19 -4 -6 0 0.46 0.11 4 6 0 0.43 0.11 4 6 0 0.22 0.14 4 6 0 0.32 0.16 -5 -6 0 32.16 1.28 -5 -6 0 30.61 1.23 -5 -6 0 29.62 1.02 -5 -6 0 31.04 1.16 -5 -6 0 29.84 1.26 5 6 0 32.52 1.29 5 6 0 31.17 1.19 5 6 0 31.96 1.04 -6 -6 0 1.70 0.31 -6 -6 0 1.72 0.21 -6 -6 0 2.08 0.31 -6 -6 0 1.25 0.24 -6 -6 0 1.58 0.31 6 6 0 1.41 0.26 6 6 0 1.28 0.18 6 6 0 1.73 0.32 -7 -6 0 31.51 1.34 -7 -6 0 26.06 1.12 -7 -6 0 29.90 1.28 7 6 0 29.04 1.06 7 6 0 31.52 1.36 7 6 0 31.09 1.25 -8 -6 0 11.21 0.78 -8 -6 0 10.58 0.74 -8 -6 0 11.50 0.79 -8 -6 0 10.50 0.61 8 6 0 10.55 0.54 8 6 0 11.96 0.72 8 6 0 11.04 0.78 -9 -6 0 11.78 0.65 -9 -6 0 11.40 0.84 -9 -6 0 12.34 0.83 -9 -6 0 11.20 0.84 9 6 0 12.34 0.86 9 6 0 10.94 0.58 9 6 0 12.05 0.78 -10 -6 0 1.21 0.26 -10 -6 0 1.29 0.38 -10 -6 0 0.64 0.33 -10 -6 0 0.92 0.34 10 6 0 1.65 0.43 10 6 0 1.24 0.23 10 6 0 1.10 0.32 -11 -6 0 -0.03 0.29 -11 -6 0 0.23 0.28 -11 -6 0 0.05 0.20 -11 -6 0 0.13 0.28 11 6 0 0.31 0.27 11 6 0 0.53 0.31 11 6 0 -0.18 0.18 14 -7 0 2.40 0.49 14 -7 0 3.66 0.52 14 -7 0 4.91 0.57 14 -7 0 3.36 0.55 -14 7 0 3.34 0.55 -14 7 0 4.23 0.36 -14 7 0 3.89 0.49 13 -7 0 13.75 0.94 13 -7 0 12.90 0.84 13 -7 0 14.11 0.92 13 -7 0 13.75 0.87 -13 7 0 15.00 0.97 -13 7 0 13.53 0.80 -13 7 0 12.46 0.60 12 -7 0 23.36 0.87 12 -7 0 25.79 1.18 12 -7 0 22.36 1.19 12 -7 0 26.20 1.26 12 -7 0 23.94 1.17 -12 7 0 25.13 1.25 -12 7 0 22.56 0.86 -12 7 0 23.60 1.06 11 -7 0 32.06 1.40 11 -7 0 31.54 1.39 11 -7 0 31.77 1.36 11 -7 0 29.05 1.06 11 -7 0 30.44 1.33 -11 7 0 29.55 1.02 -11 7 0 30.13 1.21 -11 7 0 32.11 1.41 10 -7 0 21.53 0.83 10 -7 0 24.16 1.06 10 -7 0 22.82 1.08 10 -7 0 21.99 1.06 10 -7 0 22.15 1.08 -10 7 0 21.65 0.75 -10 7 0 21.65 1.07 -10 7 0 21.80 0.92 9 -7 0 3.23 0.38 9 -7 0 2.73 0.27 9 -7 0 3.34 0.42 9 -7 0 2.96 0.38 9 -7 0 2.50 0.37 -9 7 0 2.90 0.18 -9 7 0 2.73 0.30 -9 7 0 3.20 0.40 8 -7 0 50.72 1.83 8 -7 0 50.47 1.66 8 -7 0 52.49 1.68 8 -7 0 52.96 1.88 8 -7 0 53.04 1.83 8 -7 0 51.16 1.84 -8 7 0 51.43 1.67 -8 7 0 54.57 1.86 7 -7 0 19.44 0.84 7 -7 0 17.34 0.69 7 -7 0 18.24 0.84 7 -7 0 19.67 0.90 7 -7 0 18.83 0.74 7 -7 0 18.75 0.85 -7 7 0 18.53 0.85 -7 7 0 18.21 0.70 6 -7 0 118.03 3.48 6 -7 0 115.92 3.56 6 -7 0 110.56 3.38 6 -7 0 120.12 3.58 6 -7 0 118.92 3.56 6 -7 0 117.84 3.63 -6 7 0 117.24 3.57 -6 7 0 116.61 3.60 -6 7 0 120.93 3.39 5 -7 0 21.99 0.88 5 -7 0 22.44 0.88 5 -7 0 23.39 0.86 5 -7 0 21.93 0.74 5 -7 0 22.72 0.94 -5 7 0 22.69 0.75 -5 7 0 20.16 0.83 -5 7 0 22.99 0.90 4 -7 0 23.15 0.74 4 -7 0 22.69 0.92 4 -7 0 23.36 0.86 4 -7 0 22.55 0.87 4 -7 0 22.81 0.72 4 -7 0 22.32 0.86 -4 7 0 21.28 0.72 -4 7 0 22.10 0.74 -4 7 0 22.26 0.86 -4 7 0 23.46 0.90 -4 7 0 21.74 0.85 -4 7 0 22.69 0.87 3 -7 0 8.96 0.35 3 -7 0 8.66 0.46 3 -7 0 8.72 0.43 3 -7 0 8.39 0.30 3 -7 0 8.83 0.49 3 -7 0 8.70 0.43 3 -7 0 8.54 0.37 3 -7 0 8.02 0.45 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0.21 -2 -7 0 3.02 0.34 -2 -7 0 2.58 0.28 -2 -7 0 2.94 0.19 2 7 0 3.00 0.30 2 7 0 3.20 0.23 2 7 0 2.88 0.32 2 7 0 2.67 0.28 2 7 0 3.29 0.20 -3 -7 0 8.30 0.49 -3 -7 0 7.57 0.48 -3 -7 0 8.43 0.55 -3 -7 0 7.67 0.34 3 7 0 8.31 0.52 3 7 0 8.15 0.35 3 7 0 7.66 0.52 3 7 0 8.78 0.49 -4 -7 0 33.24 1.33 -4 -7 0 32.65 1.27 -4 -7 0 31.78 1.06 -4 -7 0 32.34 1.30 -4 -7 0 33.81 1.25 4 7 0 32.22 1.06 4 7 0 34.19 1.25 4 7 0 34.77 1.35 -5 -7 0 10.17 0.64 -5 -7 0 10.27 0.44 -5 -7 0 8.47 0.55 -5 -7 0 9.72 0.65 -5 -7 0 10.48 0.69 5 7 0 10.45 0.67 5 7 0 9.78 0.44 5 7 0 10.07 0.60 -6 -7 0 1.76 0.31 -6 -7 0 2.19 0.23 -6 -7 0 2.40 0.32 -6 -7 0 1.80 0.33 -6 -7 0 1.80 0.33 6 7 0 2.72 0.36 6 7 0 1.75 0.32 6 7 0 2.21 0.22 -7 -7 0 2.86 0.36 -7 -7 0 2.71 0.42 -7 -7 0 2.54 0.39 -7 -7 0 2.53 0.28 -7 -7 0 2.76 0.44 7 7 0 2.28 0.24 7 7 0 2.80 0.41 7 7 0 2.75 0.42 -8 -7 0 21.69 0.97 -8 -7 0 21.54 1.12 -8 -7 0 22.25 1.18 -8 -7 0 22.25 1.17 8 7 0 20.71 0.83 8 7 0 21.76 1.07 8 7 0 19.99 1.14 -9 -7 0 10.85 0.85 -9 -7 0 10.42 0.81 -9 -7 0 10.27 0.83 -9 -7 0 10.86 0.65 9 7 0 10.50 0.55 9 7 0 11.31 0.77 9 7 0 10.68 0.85 -10 -7 0 5.58 0.68 -10 -7 0 4.67 0.62 -10 -7 0 4.98 0.66 -10 -7 0 4.93 0.47 10 7 0 5.30 0.66 10 7 0 5.42 0.60 14 -8 0 4.87 0.60 14 -8 0 5.71 0.67 14 -8 0 5.77 0.65 14 -8 0 5.35 0.64 -14 8 0 5.57 0.54 -14 8 0 6.23 0.70 13 -8 0 0.50 0.31 13 -8 0 0.89 0.18 13 -8 0 0.71 0.31 13 -8 0 1.36 0.33 13 -8 0 0.86 0.31 -13 8 0 0.74 0.25 -13 8 0 1.15 0.35 12 -8 0 2.29 0.42 12 -8 0 2.13 0.40 12 -8 0 2.62 0.43 12 -8 0 2.43 0.44 12 -8 0 1.97 0.25 -12 8 0 2.99 0.46 -12 8 0 3.07 0.38 11 -8 0 10.91 0.55 11 -8 0 11.75 0.78 11 -8 0 11.50 0.78 11 -8 0 12.13 0.80 11 -8 0 11.47 0.75 -11 8 0 11.43 0.80 -11 8 0 11.07 0.62 10 -8 0 4.62 0.36 10 -8 0 4.56 0.48 10 -8 0 3.74 0.48 10 -8 0 4.37 0.51 10 -8 0 4.52 0.49 -10 8 0 5.40 0.53 -10 8 0 4.80 0.38 9 -8 0 6.86 0.57 9 -8 0 5.39 0.38 9 -8 0 6.14 0.50 9 -8 0 6.02 0.50 9 -8 0 6.53 0.54 -9 8 0 5.68 0.51 -9 8 0 6.51 0.39 8 -8 0 0.21 0.13 8 -8 0 0.19 0.18 8 -8 0 0.14 0.17 8 -8 0 0.36 0.12 8 -8 0 0.11 0.19 8 -8 0 0.04 0.13 -8 8 0 0.42 0.14 -8 8 0 0.14 0.17 7 -8 0 6.56 0.48 7 -8 0 6.84 0.42 7 -8 0 6.04 0.46 7 -8 0 6.06 0.33 7 -8 0 6.76 0.48 7 -8 0 6.25 0.52 -7 8 0 6.58 0.35 -7 8 0 6.01 0.47 6 -8 0 63.55 1.97 6 -8 0 54.37 1.98 6 -8 0 61.61 2.09 6 -8 0 59.60 1.82 6 -8 0 64.20 2.03 -6 8 0 62.77 2.04 -6 8 0 56.94 2.00 -6 8 0 61.34 1.82 5 -8 0 107.86 3.23 5 -8 0 107.60 3.05 5 -8 0 102.41 3.22 5 -8 0 106.52 3.31 5 -8 0 105.43 3.21 -5 8 0 105.59 3.26 -5 8 0 103.88 3.04 -5 8 0 106.57 3.25 4 -8 0 96.88 2.77 4 -8 0 98.38 2.78 4 -8 0 95.03 2.91 4 -8 0 97.30 3.01 4 -8 0 95.32 2.92 4 -8 0 98.32 2.95 -4 8 0 97.10 2.97 -4 8 0 92.31 2.77 -4 8 0 93.06 2.94 -4 8 0 94.98 2.77 3 -8 0 109.90 3.15 3 -8 0 110.78 3.21 3 -8 0 110.99 3.31 3 -8 0 114.71 3.38 3 -8 0 113.96 3.25 3 -8 0 113.07 3.40 -3 8 0 111.34 3.35 -3 8 0 110.93 3.31 -3 8 0 112.37 3.39 -3 8 0 109.82 3.24 -3 8 0 107.53 3.21 -3 8 0 108.97 3.29 2 -8 0 87.12 2.60 2 -8 0 88.14 2.73 2 -8 0 87.90 2.74 2 -8 0 87.76 2.57 2 -8 0 89.05 2.64 2 -8 0 88.37 2.65 -2 8 0 88.67 2.71 -2 8 0 88.08 2.63 -2 8 0 80.92 2.63 -2 8 0 93.30 2.77 -2 8 0 88.56 2.64 -2 8 0 90.16 2.61 1 -8 0 128.12 3.84 1 -8 0 128.96 3.72 1 -8 0 126.40 3.69 1 -8 0 128.95 3.79 1 -8 0 129.42 3.78 1 -8 0 128.01 3.69 -1 8 0 126.06 3.84 -1 8 0 129.96 3.69 -1 8 0 128.44 3.69 -1 8 0 121.09 3.76 -1 8 0 123.70 3.76 -1 8 0 131.91 3.74 -1 8 0 126.09 3.79 0 -8 0 45.39 1.50 0 -8 0 46.40 1.59 0 -8 0 49.56 1.59 0 -8 0 45.61 1.50 0 -8 0 45.22 1.49 0 -8 0 46.64 1.40 0 8 0 47.12 1.42 0 8 0 42.54 1.48 0 8 0 45.89 1.52 0 8 0 45.19 1.60 0 8 0 44.92 1.54 0 8 0 45.33 1.42 -1 -8 0 107.94 3.23 -1 -8 0 106.04 3.05 -1 -8 0 108.58 3.31 -1 -8 0 110.18 3.32 -1 -8 0 108.64 3.17 1 8 0 108.00 3.26 1 8 0 107.93 3.10 1 8 0 105.64 3.16 1 8 0 110.98 3.36 1 8 0 109.89 3.27 1 8 0 97.37 3.08 -2 -8 0 72.13 2.30 -2 -8 0 72.23 2.37 -2 -8 0 68.87 2.11 -2 -8 0 73.69 2.34 -2 -8 0 71.83 2.15 2 8 0 64.50 2.35 2 8 0 73.34 2.30 2 8 0 72.06 2.15 2 8 0 73.50 2.11 2 8 0 74.92 2.35 -3 -8 0 29.69 1.22 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9.10 0.66 -14 9 0 9.73 0.86 13 -9 0 13.43 0.89 13 -9 0 14.41 0.95 13 -9 0 13.84 0.63 13 -9 0 14.62 0.95 13 -9 0 14.32 0.97 -13 9 0 12.25 0.73 -13 9 0 13.76 0.95 12 -9 0 25.02 1.26 12 -9 0 21.97 0.91 12 -9 0 22.22 1.17 12 -9 0 23.35 1.22 12 -9 0 25.25 1.27 -12 9 0 24.92 1.26 -12 9 0 23.94 1.00 11 -9 0 32.95 1.48 11 -9 0 30.89 1.41 11 -9 0 32.19 1.19 11 -9 0 33.44 1.47 11 -9 0 33.76 1.50 -11 9 0 32.97 1.22 -11 9 0 32.50 1.47 10 -9 0 24.99 1.22 10 -9 0 24.46 1.15 10 -9 0 24.51 1.17 10 -9 0 25.51 0.98 10 -9 0 23.79 1.17 -10 9 0 23.70 0.94 -10 9 0 24.61 1.18 9 -9 0 27.67 1.20 9 -9 0 27.14 1.06 9 -9 0 28.49 1.24 9 -9 0 26.83 1.21 -9 9 0 27.04 0.99 -9 9 0 28.92 1.24 8 -9 0 34.01 1.38 8 -9 0 31.79 1.12 8 -9 0 34.62 1.37 8 -9 0 35.48 1.26 8 -9 0 34.66 1.37 -8 9 0 35.22 1.15 -8 9 0 33.28 1.37 7 -9 0 60.06 2.10 7 -9 0 58.18 2.01 7 -9 0 58.73 2.01 7 -9 0 54.32 1.77 7 -9 0 58.97 1.93 -7 9 0 58.09 2.02 -7 9 0 58.80 1.78 -7 9 0 60.27 2.04 6 -9 0 1.87 0.28 6 -9 0 1.75 0.25 6 -9 0 1.35 0.27 6 -9 0 1.78 0.18 6 -9 0 1.64 0.27 -6 9 0 1.66 0.27 -6 9 0 1.67 0.17 -6 9 0 1.65 0.26 5 -9 0 42.97 1.49 5 -9 0 41.51 1.47 5 -9 0 42.52 1.56 5 -9 0 42.95 1.48 5 -9 0 42.46 1.27 5 -9 0 42.11 1.29 -5 9 0 40.69 1.49 -5 9 0 44.09 1.53 -5 9 0 36.99 1.28 4 -9 0 0.31 0.16 4 -9 0 0.43 0.12 4 -9 0 0.74 0.21 4 -9 0 0.70 0.17 4 -9 0 0.24 0.10 -4 9 0 0.33 0.16 -4 9 0 0.71 0.12 -4 9 0 0.37 0.14 -4 9 0 0.31 0.16 -4 9 0 0.40 0.11 3 -9 0 34.11 1.20 3 -9 0 35.02 1.07 3 -9 0 34.98 1.17 3 -9 0 34.06 1.11 3 -9 0 34.82 1.29 3 -9 0 36.00 1.31 -3 9 0 35.62 1.13 -3 9 0 35.01 1.21 -3 9 0 30.83 1.14 -3 9 0 34.75 1.30 -3 9 0 34.08 1.19 -3 9 0 34.78 1.26 2 -9 0 6.40 0.38 2 -9 0 7.32 0.48 2 -9 0 7.04 0.46 2 -9 0 6.87 0.34 2 -9 0 7.22 0.42 2 -9 0 6.68 0.36 -2 9 0 6.51 0.37 -2 9 0 6.82 0.40 -2 9 0 7.57 0.49 -2 9 0 6.80 0.38 -2 9 0 7.01 0.37 -2 9 0 6.92 0.45 1 -9 0 0.05 0.13 1 -9 0 0.07 0.10 1 -9 0 0.06 0.13 1 -9 0 -0.03 0.13 1 -9 0 0.06 0.08 1 -9 0 0.02 0.09 -1 9 0 -0.13 0.11 -1 9 0 0.11 0.10 -1 9 0 0.35 0.16 -1 9 0 0.03 0.10 -1 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55.31 1.72 -3 10 0 56.41 1.89 -3 10 0 56.86 1.81 -3 10 0 52.60 1.77 -3 10 0 56.21 1.74 -3 10 0 52.07 1.91 2 -10 0 86.94 2.58 2 -10 0 86.68 2.79 2 -10 0 85.07 2.61 2 -10 0 87.71 2.63 2 -10 0 89.15 2.70 2 -10 0 89.39 2.76 -2 10 0 77.17 2.76 -2 10 0 89.60 2.63 -2 10 0 87.52 2.63 -2 10 0 83.18 2.62 -2 10 0 89.01 2.75 1 -10 0 52.56 1.89 1 -10 0 54.93 1.84 1 -10 0 53.65 1.69 1 -10 0 55.13 1.83 1 -10 0 53.82 1.73 -1 10 0 55.88 1.78 -1 10 0 55.49 1.85 -1 10 0 56.20 1.93 -1 10 0 53.77 1.70 -1 10 0 49.78 1.68 0 -10 0 30.43 1.12 0 -10 0 30.93 1.12 0 -10 0 29.31 0.99 0 -10 0 32.51 1.26 0 -10 0 30.65 1.21 0 10 0 30.68 1.02 0 10 0 29.96 1.25 0 10 0 30.38 1.18 0 10 0 28.85 1.01 0 10 0 30.27 1.15 -1 -10 0 55.53 1.69 -1 -10 0 57.28 1.85 -1 -10 0 58.07 2.03 -1 -10 0 57.11 1.92 -1 -10 0 58.04 2.02 1 10 0 58.06 1.75 1 10 0 57.12 1.85 1 10 0 58.78 2.07 1 10 0 58.39 1.97 1 10 0 58.81 1.75 1 10 0 58.07 1.97 -2 -10 0 65.47 2.18 -2 -10 0 66.79 2.26 -2 -10 0 67.05 2.29 -2 -10 0 65.65 2.02 2 10 0 59.89 1.92 2 10 0 63.22 1.93 2 10 0 66.01 2.20 2 10 0 66.20 2.22 2 10 0 67.32 2.32 -3 -10 0 87.41 2.81 -3 -10 0 84.89 2.83 -3 -10 0 84.02 2.89 -3 -10 0 85.58 2.84 3 10 0 87.60 2.93 3 10 0 84.99 2.79 -4 -10 0 34.06 1.44 -4 -10 0 33.64 1.40 -4 -10 0 32.09 1.39 -4 -10 0 34.84 1.49 4 10 0 35.39 1.51 4 10 0 35.60 1.40 -5 -10 0 32.10 1.39 -5 -10 0 31.51 1.40 -5 -10 0 32.73 1.47 -5 -10 0 30.97 1.34 5 10 0 31.15 1.34 5 10 0 31.68 1.46 -6 -10 0 0.27 0.29 -6 -10 0 -0.31 0.20 -6 -10 0 -0.07 0.18 -6 -10 0 0.39 0.25 6 10 0 0.57 0.28 6 10 0 0.11 0.23 -7 -10 0 0.79 0.33 -7 -10 0 0.51 0.25 -7 -10 0 0.90 0.33 -7 -10 0 0.54 0.33 7 10 0 0.76 0.29 7 10 0 0.77 0.32 -8 -10 0 4.18 0.53 -8 -10 0 3.74 0.56 -8 -10 0 5.25 0.69 8 10 0 5.35 0.66 8 10 0 4.86 0.59 13 -11 0 0.57 0.30 13 -11 0 0.24 0.27 13 -11 0 0.11 0.28 13 -11 0 0.71 0.21 13 -11 0 0.14 0.25 -13 11 0 0.40 0.31 -13 11 0 0.05 0.19 12 -11 0 17.44 1.04 12 -11 0 16.62 1.05 12 -11 0 17.53 0.82 12 -11 0 19.36 1.11 12 -11 0 19.07 1.13 -12 11 0 19.44 1.11 -12 11 0 17.53 0.77 11 -11 0 13.07 0.88 11 -11 0 14.38 0.88 11 -11 0 13.99 0.72 11 -11 0 12.88 0.92 -11 11 0 13.38 0.62 -11 11 0 14.40 0.92 10 -11 0 28.31 1.13 10 -11 0 27.63 1.28 10 -11 0 26.86 1.34 10 -11 0 25.64 1.25 -10 11 0 27.70 1.30 -10 11 0 26.43 1.28 -10 11 0 25.89 0.95 9 -11 0 1.86 0.35 9 -11 0 2.07 0.39 9 -11 0 1.83 0.29 9 -11 0 1.44 0.30 -9 11 0 1.84 0.21 -9 11 0 1.89 0.37 -9 11 0 2.27 0.41 8 -11 0 9.32 0.60 8 -11 0 11.06 0.68 8 -11 0 9.98 0.72 8 -11 0 8.52 0.41 8 -11 0 9.40 0.64 -8 11 0 10.77 0.70 -8 11 0 9.69 0.42 -8 11 0 9.80 0.68 7 -11 0 0.74 0.12 7 -11 0 0.49 0.20 7 -11 0 0.91 0.24 7 -11 0 0.50 0.25 7 -11 0 0.34 0.19 -7 11 0 0.83 0.13 -7 11 0 0.75 0.24 -7 11 0 0.42 0.21 6 -11 0 19.62 0.98 6 -11 0 18.40 0.62 6 -11 0 18.38 0.89 6 -11 0 17.76 0.65 6 -11 0 18.17 0.87 -6 11 0 19.03 0.89 -6 11 0 18.39 0.92 -6 11 0 18.07 0.66 -6 11 0 18.07 0.90 5 -11 0 3.36 0.26 5 -11 0 3.04 0.39 5 -11 0 3.11 0.42 5 -11 0 3.38 0.26 5 -11 0 3.68 0.25 5 -11 0 3.34 0.35 -5 11 0 3.05 0.34 -5 11 0 3.16 0.24 -5 11 0 3.40 0.41 -5 11 0 2.99 0.39 4 -11 0 1.59 0.20 4 -11 0 1.20 0.28 4 -11 0 1.17 0.21 4 -11 0 1.21 0.28 4 -11 0 1.33 0.24 -4 11 0 0.94 0.25 -4 11 0 1.06 0.26 -4 11 0 1.14 0.18 -4 11 0 1.31 0.18 -4 11 0 1.33 0.23 3 -11 0 11.84 0.69 3 -11 0 11.95 0.53 3 -11 0 11.31 0.48 3 -11 0 12.76 0.60 3 -11 0 11.38 0.59 3 -11 0 12.11 0.69 -3 11 0 11.37 0.66 -3 11 0 10.91 0.57 -3 11 0 11.70 0.53 -3 11 0 12.05 0.71 2 -11 0 0.08 0.11 2 -11 0 -0.06 0.10 2 -11 0 0.06 0.18 2 -11 0 0.27 0.18 2 -11 0 0.30 0.16 -2 11 0 0.05 0.10 -2 11 0 0.31 0.19 -2 11 0 0.03 0.12 -2 11 0 0.19 0.18 1 -11 0 24.89 1.00 1 -11 0 23.55 0.91 1 -11 0 20.64 0.98 1 -11 0 24.71 0.88 1 -11 0 24.70 1.09 -1 11 0 24.52 0.95 -1 11 0 23.76 0.87 -1 11 0 22.50 0.86 -1 11 0 25.16 1.10 -1 11 0 24.12 1.02 0 -11 0 -0.09 0.16 0 -11 0 -0.11 0.12 0 -11 0 0.25 0.15 0 -11 0 -0.06 0.17 0 11 0 -0.09 0.15 0 11 0 0.00 0.16 0 11 0 -0.07 0.10 0 11 0 0.20 0.15 0 11 0 0.26 0.12 -1 -11 0 5.83 0.26 -1 -11 0 6.05 0.42 -1 -11 0 6.76 0.55 -1 -11 0 6.08 0.45 -1 -11 0 6.13 0.54 1 11 0 5.85 0.46 1 11 0 6.08 0.32 1 11 0 5.42 0.47 1 11 0 6.17 0.32 1 11 0 5.96 0.54 -2 -11 0 18.95 0.89 -2 -11 0 17.92 0.74 -2 -11 0 18.33 0.96 -2 -11 0 19.77 1.00 2 11 0 19.27 0.92 2 11 0 18.35 0.99 2 11 0 19.79 0.77 -3 -11 0 17.46 0.92 -3 -11 0 19.81 1.04 -3 -11 0 18.41 0.92 -3 -11 0 19.12 0.98 3 11 0 17.25 0.90 3 11 0 18.27 1.02 -4 -11 0 23.91 1.18 -4 -11 0 23.66 1.18 -4 -11 0 27.23 1.31 -4 -11 0 26.71 1.20 4 11 0 26.31 1.29 4 11 0 27.14 1.19 -5 -11 0 32.64 1.47 -5 -11 0 32.13 1.53 -5 -11 0 29.34 1.42 -5 -11 0 34.16 1.45 5 11 0 33.05 1.55 5 11 0 35.97 1.45 -6 -11 0 32.70 1.48 -6 -11 0 35.14 1.58 -6 -11 0 34.40 1.59 -6 -11 0 35.69 1.66 6 11 0 36.09 1.67 6 11 0 36.64 1.54 -7 -11 0 11.35 0.80 -7 -11 0 11.93 0.89 -7 -11 0 11.05 0.92 -7 -11 0 12.17 0.89 7 11 0 10.69 0.89 7 11 0 12.80 0.84 13 -12 0 -0.39 0.22 13 -12 0 0.28 0.26 13 -12 0 0.06 0.24 13 -12 0 0.38 0.20 -13 12 0 0.19 0.27 12 -12 0 3.27 0.54 12 -12 0 3.77 0.53 12 -12 0 3.13 0.37 12 -12 0 3.67 0.52 -12 12 0 2.84 0.31 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2.89 -5 12 0 86.72 2.84 -5 12 0 87.47 2.76 -5 12 0 84.08 2.54 4 -12 0 0.67 0.11 4 -12 0 0.99 0.22 4 -12 0 0.84 0.25 4 -12 0 0.71 0.15 4 -12 0 0.99 0.27 4 -12 0 0.98 0.20 -4 12 0 0.66 0.19 -4 12 0 0.65 0.24 -4 12 0 0.77 0.25 -4 12 0 1.04 0.17 3 -12 0 22.91 0.83 3 -12 0 20.88 0.92 3 -12 0 23.82 0.96 3 -12 0 23.72 1.07 3 -12 0 23.42 0.88 3 -12 0 23.72 1.09 -3 12 0 23.98 0.95 -3 12 0 23.59 1.04 -3 12 0 24.06 0.90 -3 12 0 24.53 1.11 2 -12 0 31.14 1.10 2 -12 0 31.44 1.13 2 -12 0 28.26 1.20 2 -12 0 31.90 1.33 2 -12 0 31.65 1.27 -2 12 0 31.67 1.27 -2 12 0 31.98 1.34 -2 12 0 32.25 1.15 -2 12 0 30.77 1.12 1 -12 0 61.87 2.10 1 -12 0 63.62 2.23 1 -12 0 63.05 2.02 1 -12 0 64.17 2.15 1 -12 0 61.07 1.94 -1 12 0 62.66 2.25 -1 12 0 62.39 2.14 -1 12 0 58.26 1.94 -1 12 0 62.26 2.06 -1 12 0 62.47 1.95 0 -12 0 68.24 2.10 0 -12 0 71.04 2.41 0 -12 0 72.39 2.29 0 -12 0 70.55 2.28 0 -12 0 70.88 2.45 0 12 0 70.31 2.37 0 12 0 61.80 2.10 0 12 0 72.08 2.49 0 12 0 70.68 2.12 0 12 0 71.15 2.32 -1 -12 0 23.61 1.14 -1 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-19 3.60 0.55 4 0 -19 3.68 0.50 4 0 -19 3.91 0.59 4 0 -19 3.29 0.49 -4 0 19 3.11 0.50 -4 0 19 4.07 0.58 -4 0 19 3.94 0.56 3 0 -19 1.98 0.48 3 0 -19 2.03 0.46 3 0 -19 2.35 0.41 3 0 -19 2.11 0.40 -3 0 19 1.70 0.43 -3 0 19 2.01 0.43 -3 0 19 1.92 0.44 6 -1 -19 17.31 0.96 6 -1 -19 16.94 1.13 6 -1 -19 16.25 0.99 6 -1 -19 17.09 1.10 -6 1 19 16.53 1.03 -6 1 19 16.32 1.07 -6 1 19 15.96 1.01 5 -1 -19 9.66 0.86 5 -1 -19 9.71 0.82 5 -1 -19 9.55 0.75 5 -1 -19 9.78 0.74 -5 1 19 8.07 0.75 -5 1 19 9.68 0.78 -5 1 19 9.62 0.82 4 -1 -19 12.19 0.91 4 -1 -19 11.88 0.97 4 -1 -19 11.84 0.82 4 -1 -19 10.24 0.77 -4 1 19 12.01 0.89 -4 1 19 11.43 0.85 -4 1 19 13.15 0.94 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 34989 _shelx_res_file ; TITL CC2106_0m_a.res in P-1 CC2106_0m.res created by SHELXL-2018/3 at 13:00:58 on 20-Jul-2021 REM Old TITL CC2106_0m in P-1 REM SHELXT solution in P-1: R1 0.087, Rweak 0.007, Alpha 0.036 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C32 Cl3 Mo O6 CELL 0.71073 10.5308 12.1305 13.6154 97.66 104.759 107.081 ZERR 2 0.0006 0.0007 0.0008 0.002 0.002 0.002 LATT 1 SFAC C H Cl Mo O P UNIT 64 66 4 2 12 2 L.S. 10 PLAN 4 SIZE 0.12 0.21 0.23 TEMP -103.15 EQIV $1 1+X,1+Y,+Z HTAB C31 O5_$1 EQIV $2 1-X,-Y,-Z HTAB C6 O3_$2 EQIV $3 -x+1,-y+1,-z HTAB C8 O1_$3 EQIV $4 x-1,y,z HTAB C32 O2_$4 CONF BOND $H LIST 4 fmap 2 acta MORE -1 OMIT 0 -1 1 OMIT 0 1 0 OMIT -1 0 1 REM REM REM WGHT 0.022600 0.713500 FVAR 0.18599 0.53210 MO1 4 0.520423 0.253926 0.094274 11.00000 0.01913 0.01478 = 0.01330 0.00160 0.00476 0.00475 P1 6 0.518164 0.355566 0.263603 11.00000 0.01702 0.01515 = 0.01494 0.00235 0.00573 0.00486 O1 5 0.686350 0.513113 0.093422 11.00000 0.04711 0.02306 = 0.04107 0.01251 0.01884 0.00648 O2 5 0.716867 0.156256 0.242917 11.00000 0.04434 0.03737 = 0.02742 0.00759 0.00400 0.02393 O3 5 0.657659 0.198449 -0.070436 11.00000 0.03507 0.04153 = 0.02102 -0.00029 0.01209 0.01132 O4 5 0.071776 0.572311 0.241250 11.00000 0.03380 0.04239 = 0.04070 0.01761 0.02037 0.02552 O5 5 0.414904 0.066713 0.577482 11.00000 0.04027 0.02633 = 0.02165 0.01016 0.01104 0.00524 O6 5 1.007790 0.781171 0.520478 11.00000 0.02272 0.02394 = 0.03181 -0.00425 0.00426 -0.00060 C1 1 0.628227 0.417913 0.097610 11.00000 0.02740 0.02177 = 0.01994 0.00496 0.00925 0.00831 C2 1 0.647089 0.196788 0.190277 11.00000 0.02713 0.01934 = 0.01827 0.00055 0.00675 0.00804 C3 1 0.688215 0.247595 0.020738 11.00000 0.02717 0.02242 = 0.02161 0.00387 0.01035 0.00829 C4 1 0.844447 0.308586 0.079356 11.00000 0.02550 0.03207 = 0.02921 -0.00177 0.01193 0.00571 AFIX 23 H4A 2 0.878597 0.383496 0.057367 11.00000 -1.20000 H4B 2 0.857453 0.328655 0.154986 11.00000 -1.20000 AFIX 0 C5 1 0.931972 0.232477 0.060420 11.00000 0.03192 0.03779 = 0.04452 0.00343 0.00958 0.01454 AFIX 137 H5A 2 0.909437 0.164404 0.092354 11.00000 -1.50000 H5B 2 1.031399 0.279630 0.091479 11.00000 -1.50000 H5C 2 0.911323 0.204489 -0.014740 11.00000 -1.50000 AFIX 0 C6 1 0.324567 0.074795 0.037516 11.00000 0.02456 0.01847 = 0.02829 0.00134 0.00261 0.00143 AFIX 13 H6 2 0.313597 0.004700 0.069965 11.00000 -1.20000 AFIX 0 C7 1 0.274239 0.168541 0.059109 11.00000 0.01978 0.02474 = 0.02385 0.00289 0.00374 0.00354 AFIX 13 H7 2 0.222345 0.176265 0.110302 11.00000 -1.20000 AFIX 0 C8 1 0.299470 0.244252 -0.009826 11.00000 0.02417 0.02743 = 0.02492 0.00682 0.00027 0.00741 AFIX 13 H8 2 0.266202 0.312821 -0.017144 11.00000 -1.20000 AFIX 0 C9 1 0.367925 0.198449 -0.073422 11.00000 0.03098 0.03691 = 0.01573 0.00275 0.00172 0.00445 AFIX 13 H9 2 0.388632 0.227539 -0.134930 11.00000 -1.20000 AFIX 0 C10 1 0.383736 0.093690 -0.043776 11.00000 0.03107 0.02633 = 0.02369 -0.00769 0.00366 0.00423 AFIX 13 H10 2 0.418501 0.037449 -0.080607 11.00000 -1.20000 AFIX 0 C11 1 0.374429 0.413950 0.250869 11.00000 0.01753 0.01842 = 0.01708 0.00272 0.00603 0.00558 C12 1 0.359976 0.490627 0.184219 11.00000 0.02276 0.02628 = 0.02344 0.00941 0.01136 0.01008 AFIX 43 H12 2 0.419737 0.505677 0.142103 11.00000 -1.20000 AFIX 0 C13 1 0.260141 0.545554 0.177981 11.00000 0.02480 0.02576 = 0.02503 0.00974 0.01018 0.01130 AFIX 43 H13 2 0.252561 0.598157 0.132747 11.00000 -1.20000 AFIX 0 C14 1 0.171405 0.522418 0.238935 11.00000 0.02034 0.02471 = 0.02438 0.00376 0.00760 0.00984 C15 1 0.182367 0.444230 0.304017 11.00000 0.02377 0.03092 = 0.02536 0.00905 0.01332 0.01154 AFIX 43 H15 2 0.120263 0.426933 0.344156 11.00000 -1.20000 AFIX 0 C16 1 0.283577 0.391441 0.310534 11.00000 0.02195 0.02449 = 0.02064 0.00750 0.00932 0.00839 AFIX 43 H16 2 0.291252 0.339271 0.356177 11.00000 -1.20000 AFIX 0 C17 1 0.053411 0.652333 0.175705 11.00000 0.03679 0.03993 = 0.05573 0.02131 0.01825 0.02447 AFIX 137 H17A 2 0.141582 0.718094 0.192016 11.00000 -1.50000 H17B 2 -0.018996 0.683173 0.187415 11.00000 -1.50000 H17C 2 0.025013 0.610782 0.102594 11.00000 -1.50000 AFIX 0 C18 1 0.498243 0.267889 0.361533 11.00000 0.01896 0.01733 = 0.01675 0.00379 0.00636 0.00650 C19 1 0.400759 0.152627 0.332111 11.00000 0.02704 0.01970 = 0.01775 0.00270 0.00345 0.00288 AFIX 43 H19 2 0.351772 0.118227 0.260370 11.00000 -1.20000 AFIX 0 C20 1 0.374678 0.088181 0.405621 11.00000 0.02891 0.01889 = 0.02219 0.00444 0.00563 0.00172 AFIX 43 H20 2 0.306101 0.011206 0.384356 11.00000 -1.20000 AFIX 0 C21 1 0.449043 0.136095 0.511170 11.00000 0.02489 0.02102 = 0.02018 0.00735 0.00993 0.00985 C22 1 0.549558 0.248339 0.541658 11.00000 0.02409 0.02264 = 0.01573 0.00351 0.00588 0.00744 AFIX 43 H22 2 0.602748 0.280472 0.612987 11.00000 -1.20000 AFIX 0 C23 1 0.572100 0.313789 0.466962 11.00000 0.02129 0.01885 = 0.01815 0.00288 0.00616 0.00463 AFIX 43 H23 2 0.639338 0.391388 0.488536 11.00000 -1.20000 AFIX 0 C24 1 0.480691 0.115738 0.686758 11.00000 0.06153 0.03550 = 0.02108 0.01031 0.01688 0.01067 AFIX 137 H24A 2 0.443749 0.058545 0.725802 11.00000 -1.50000 H24B 2 0.461623 0.188617 0.706100 11.00000 -1.50000 H24C 2 0.581792 0.133654 0.703274 11.00000 -1.50000 AFIX 0 C25 1 0.668846 0.486007 0.337761 11.00000 0.01823 0.01576 = 0.01686 0.00200 0.00692 0.00437 C26 1 0.652685 0.585643 0.390836 11.00000 0.01991 0.01954 = 0.02625 -0.00015 0.00851 0.00689 AFIX 43 H26 2 0.561347 0.586707 0.385490 11.00000 -1.20000 AFIX 0 C27 1 0.767251 0.682482 0.450869 11.00000 0.02449 0.01790 = 0.02757 -0.00126 0.00821 0.00664 AFIX 43 H27 2 0.754090 0.749483 0.485784 11.00000 -1.20000 AFIX 0 C28 1 0.901786 0.681967 0.460230 11.00000 0.02142 0.01924 = 0.01867 0.00204 0.00572 0.00259 C29 1 0.920370 0.583250 0.409457 11.00000 0.01821 0.02727 = 0.02521 -0.00100 0.00684 0.00622 AFIX 43 H29 2 1.011851 0.581542 0.416595 11.00000 -1.20000 AFIX 0 C30 1 0.804299 0.487113 0.348212 11.00000 0.02058 0.02242 = 0.02438 -0.00277 0.00727 0.00770 AFIX 43 H30 2 0.817702 0.420618 0.312657 11.00000 -1.20000 AFIX 0 C31 1 1.144118 0.795492 0.512484 11.00000 0.02170 0.04090 = 0.03236 -0.00036 0.00446 -0.00344 AFIX 137 H31A 2 1.178982 0.737871 0.544210 11.00000 -1.50000 H31B 2 1.207379 0.875805 0.548891 11.00000 -1.50000 H31C 2 1.139505 0.782624 0.438867 11.00000 -1.50000 AFIX 0 C32 1 -0.039587 0.019018 0.266029 11.00000 0.07013 0.04904 = 0.05720 0.02103 0.02834 0.03280 PART 1 AFIX 23 H32A 2 0.017643 0.101022 0.305243 21.00000 -1.20000 H32B 2 -0.133229 0.018994 0.228010 21.00000 -1.20000 PART 2 AFIX 23 H32C 2 -0.117475 0.043473 0.229775 -21.00000 -1.20000 H32D 2 0.030037 0.088435 0.319629 -21.00000 -1.20000 PART 1 AFIX 0 CL1A 3 -0.056015 -0.070662 0.351775 21.00000 0.10372 0.06314 = 0.05626 0.03433 0.03941 0.04274 PART 2 CL1B 3 -0.104568 -0.096158 0.327981 -21.00000 0.06477 0.09897 = 0.05010 0.04147 0.01465 0.01925 PART 0 CL2 3 0.038371 -0.026049 0.175714 11.00000 0.03877 0.05367 = 0.04836 0.00379 0.01330 0.00556 HKLF 4 REM CC2106_0m_a.res in P-1 REM wR2 = 0.053809, GooF = S = 1.06068, Restrained GooF = 1.06068 for all data REM R1 = 0.020205 for 9053 Fo > 4sig(Fo) and 0.021834 for all 9578 data REM 393 parameters refined using 0 restraints END WGHT 0.0226 0.7135 REM Highest difference peak 0.403, deepest hole -0.484, 1-sigma level 0.051 Q1 1 0.8576 0.5401 0.3811 11.00000 0.05 0.40 Q2 1 0.6673 0.5338 0.3612 11.00000 0.05 0.39 Q3 1 0.9170 0.6368 0.4344 11.00000 0.05 0.38 Q4 1 0.3658 0.1393 -0.0658 11.00000 0.05 0.38 ; _shelx_res_checksum 37009 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Mo Mo1 0.52042(2) 0.25393(2) 0.09427(2) 0.01619(3) Uani d 1.0 . . P P1 0.51816(3) 0.35557(2) 0.26360(2) 0.01580(5) Uani d 1.0 . . O O1 0.68635(12) 0.51311(8) 0.09342(8) 0.0368(2) Uani d 1.0 . . O O2 0.71687(11) 0.15626(9) 0.24292(8) 0.0355(2) Uani d 1.0 . . O O3 0.65766(10) 0.19845(9) -0.07044(7) 0.0330(2) Uani d 1.0 . . O O4 0.07178(10) 0.57231(9) 0.24125(8) 0.0335(2) Uani d 1.0 . . O O5 0.41490(10) 0.06671(8) 0.57748(7) 0.03008(19) Uani d 1.0 . . O O6 1.00779(9) 0.78117(8) 0.52048(7) 0.03004(19) Uani d 1.0 . . C C1 0.62823(12) 0.41791(10) 0.09761(9) 0.0227(2) Uani d 1.0 . . C C2 0.64709(12) 0.19679(10) 0.19028(8) 0.0220(2) Uani d 1.0 . . C C3 0.68821(12) 0.24759(10) 0.02074(9) 0.0233(2) Uani d 1.0 . . C C4 0.84445(13) 0.30859(12) 0.07936(10) 0.0301(2) Uani d 1.0 . . H H4A 0.878597 0.383496 0.057367 0.036 Uiso calc 1.0 . . H H4B 0.857453 0.328655 0.154986 0.036 Uiso calc 1.0 . . C C5 0.93197(15) 0.23248(14) 0.06042(13) 0.0385(3) Uani d 1.0 . . H H5A 0.909437 0.164404 0.092354 0.058 Uiso calc 1.0 . . H H5B 1.031399 0.27963 0.091479 0.058 Uiso calc 1.0 . . H H5C 0.911323 0.204489 -0.01474 0.058 Uiso calc 1.0 . . C C6 0.32457(13) 0.07480(10) 0.03752(10) 0.0266(2) Uani d 1.0 . . H H6 0.313597 0.0047 0.069965 0.032 Uiso calc 1.0 . . C C7 0.27424(12) 0.16854(10) 0.05911(9) 0.0246(2) Uani d 1.0 . . H H7 0.222345 0.176265 0.110302 0.03 Uiso calc 1.0 . . C C8 0.29947(13) 0.24425(11) -0.00983(10) 0.0272(2) Uani d 1.0 . . H H8 0.266202 0.312821 -0.017144 0.033 Uiso calc 1.0 . . C C9 0.36793(14) 0.19845(12) -0.07342(9) 0.0309(3) Uani d 1.0 . . H H9 0.388632 0.227539 -0.13493 0.037 Uiso calc 1.0 . . C C10 0.38374(14) 0.09369(11) -0.04378(10) 0.0306(3) Uani d 1.0 . . H H10 0.418501 0.037449 -0.080607 0.037 Uiso calc 1.0 . . C C11 0.37443(11) 0.41395(9) 0.25087(8) 0.01780(18) Uani d 1.0 . . C C12 0.35998(12) 0.49063(10) 0.18422(9) 0.0226(2) Uani d 1.0 . . H H12 0.419737 0.505677 0.142103 0.027 Uiso calc 1.0 . . C C13 0.26014(12) 0.54555(11) 0.17798(9) 0.0237(2) Uani d 1.0 . . H H13 0.252561 0.598157 0.132747 0.028 Uiso calc 1.0 . . C C14 0.17141(12) 0.52242(10) 0.23893(9) 0.0227(2) Uani d 1.0 . . C C15 0.18237(12) 0.44423(11) 0.30402(9) 0.0248(2) Uani d 1.0 . . H H15 0.120263 0.426933 0.344156 0.03 Uiso calc 1.0 . . C C16 0.28358(12) 0.39144(10) 0.31053(9) 0.02147(19) Uani d 1.0 . . H H16 0.291252 0.339271 0.356177 0.026 Uiso calc 1.0 . . C C17 0.05341(16) 0.65233(14) 0.17571(14) 0.0397(3) Uani d 1.0 . . H H17A 0.141582 0.718094 0.192016 0.06 Uiso calc 1.0 . . H H17B -0.018996 0.683173 0.187415 0.06 Uiso calc 1.0 . . H H17C 0.025013 0.610782 0.102594 0.06 Uiso calc 1.0 . . C C18 0.49824(11) 0.26789(9) 0.36153(8) 0.01745(17) Uani d 1.0 . . C C19 0.40076(12) 0.15263(10) 0.33211(9) 0.0235(2) Uani d 1.0 . . H H19 0.351772 0.118227 0.26037 0.028 Uiso calc 1.0 . . C C20 0.37468(13) 0.08818(10) 0.40562(9) 0.0253(2) Uani d 1.0 . . H H20 0.306101 0.011206 0.384356 0.03 Uiso calc 1.0 . . C C21 0.44904(12) 0.13610(10) 0.51117(8) 0.02071(19) Uani d 1.0 . . C C22 0.54956(12) 0.24834(10) 0.54166(8) 0.02109(19) Uani d 1.0 . . H H22 0.602748 0.280472 0.612987 0.025 Uiso calc 1.0 . . C C23 0.57210(11) 0.31379(10) 0.46696(8) 0.02006(19) Uani d 1.0 . . H H23 0.639338 0.391388 0.488536 0.024 Uiso calc 1.0 . . C C24 0.48069(19) 0.11574(13) 0.68676(10) 0.0395(3) Uani d 1.0 . . H H24A 0.443749 0.058545 0.725802 0.059 Uiso calc 1.0 . . H H24B 0.461623 0.188617 0.7061 0.059 Uiso calc 1.0 . . H H24C 0.581792 0.133654 0.703274 0.059 Uiso calc 1.0 . . C C25 0.66885(11) 0.48601(9) 0.33776(8) 0.01716(17) Uani d 1.0 . . C C26 0.65268(12) 0.58564(10) 0.39084(9) 0.0221(2) Uani d 1.0 . . H H26 0.561347 0.586707 0.38549 0.027 Uiso calc 1.0 . . C C27 0.76725(12) 0.68248(10) 0.45087(9) 0.0241(2) Uani d 1.0 . . H H27 0.75409 0.749483 0.485784 0.029 Uiso calc 1.0 . . C C28 0.90179(12) 0.68197(10) 0.46023(8) 0.02111(19) Uani d 1.0 . . C C29 0.92037(12) 0.58325(11) 0.40946(9) 0.0246(2) Uani d 1.0 . . H H29 1.011851 0.581542 0.416595 0.03 Uiso calc 1.0 . . C C30 0.80430(12) 0.48711(10) 0.34821(9) 0.0231(2) Uani d 1.0 . . H H30 0.817702 0.420618 0.312657 0.028 Uiso calc 1.0 . . C C31 1.14412(14) 0.79549(14) 0.51248(11) 0.0366(3) Uani d 1.0 . . H H31A 1.178982 0.737871 0.54421 0.055 Uiso calc 1.0 . . H H31B 1.207379 0.875805 0.548891 0.055 Uiso calc 1.0 . . H H31C 1.139505 0.782624 0.438867 0.055 Uiso calc 1.0 . . C C32 -0.0396(2) 0.01902(17) 0.26603(16) 0.0533(4) Uani d 1.0 . . H H32A 0.017643 0.101022 0.305243 0.064 Uiso calc 0.532(15) A 1 H H32B -0.133229 0.018994 0.22801 0.064 Uiso calc 0.532(15) A 1 H H32C -0.117475 0.043473 0.229775 0.064 Uiso calc 0.468(15) A 2 H H32D 0.030037 0.088435 0.319629 0.064 Uiso calc 0.468(15) A 2 Cl Cl1A -0.0560(9) -0.0707(4) 0.3518(4) 0.0661(11) Uani d 0.532(15) A 1 Cl Cl1B -0.1046(5) -0.0962(5) 0.3280(3) 0.0714(6) Uani d 0.468(15) A 2 Cl Cl2 0.03837(4) -0.02605(4) 0.17571(4) 0.05013(10) Uani d 1.0 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Mo1 0.01913(4) 0.01478(4) 0.01330(4) 0.00475(3) 0.00476(3) 0.00160(3) P1 0.01702(11) 0.01515(11) 0.01494(11) 0.00486(9) 0.00573(9) 0.00235(8) O1 0.0471(6) 0.0231(4) 0.0411(5) 0.0065(4) 0.0188(5) 0.0125(4) O2 0.0443(6) 0.0374(5) 0.0274(4) 0.0239(5) 0.0040(4) 0.0076(4) O3 0.0351(5) 0.0415(5) 0.0210(4) 0.0113(4) 0.0121(4) -0.0003(4) O4 0.0338(5) 0.0424(5) 0.0407(5) 0.0255(4) 0.0204(4) 0.0176(4) O5 0.0403(5) 0.0263(4) 0.0217(4) 0.0052(4) 0.0110(4) 0.0102(3) O6 0.0227(4) 0.0239(4) 0.0318(5) -0.0006(3) 0.0043(3) -0.0042(3) C1 0.0274(5) 0.0218(5) 0.0199(5) 0.0083(4) 0.0093(4) 0.0050(4) C2 0.0271(5) 0.0193(5) 0.0183(4) 0.0080(4) 0.0068(4) 0.0005(4) C3 0.0272(5) 0.0224(5) 0.0216(5) 0.0083(4) 0.0104(4) 0.0039(4) C4 0.0255(6) 0.0321(6) 0.0292(6) 0.0057(5) 0.0119(5) -0.0018(5) C5 0.0319(7) 0.0378(7) 0.0445(8) 0.0145(6) 0.0096(6) 0.0034(6) C6 0.0246(5) 0.0185(5) 0.0283(6) 0.0014(4) 0.0026(4) 0.0013(4) C7 0.0198(5) 0.0247(5) 0.0238(5) 0.0035(4) 0.0037(4) 0.0029(4) C8 0.0242(5) 0.0274(6) 0.0249(5) 0.0074(4) 0.0003(4) 0.0068(4) C9 0.0310(6) 0.0369(7) 0.0157(5) 0.0044(5) 0.0017(4) 0.0027(4) C10 0.0311(6) 0.0263(6) 0.0237(5) 0.0042(5) 0.0037(5) -0.0077(4) C11 0.0175(4) 0.0184(4) 0.0171(4) 0.0056(4) 0.0060(3) 0.0027(3) C12 0.0228(5) 0.0263(5) 0.0234(5) 0.0101(4) 0.0114(4) 0.0094(4) C13 0.0248(5) 0.0258(5) 0.0250(5) 0.0113(4) 0.0102(4) 0.0097(4) C14 0.0203(5) 0.0247(5) 0.0244(5) 0.0098(4) 0.0076(4) 0.0038(4) C15 0.0238(5) 0.0309(6) 0.0254(5) 0.0115(4) 0.0133(4) 0.0091(4) C16 0.0219(5) 0.0245(5) 0.0206(5) 0.0084(4) 0.0093(4) 0.0075(4) C17 0.0368(7) 0.0399(7) 0.0557(9) 0.0245(6) 0.0182(7) 0.0213(7) C18 0.0190(4) 0.0173(4) 0.0168(4) 0.0065(4) 0.0064(3) 0.0038(3) C19 0.0270(5) 0.0197(5) 0.0178(5) 0.0029(4) 0.0035(4) 0.0027(4) C20 0.0289(6) 0.0189(5) 0.0222(5) 0.0017(4) 0.0056(4) 0.0044(4) C21 0.0249(5) 0.0210(5) 0.0202(5) 0.0098(4) 0.0099(4) 0.0073(4) C22 0.0241(5) 0.0226(5) 0.0157(4) 0.0074(4) 0.0059(4) 0.0035(4) C23 0.0213(5) 0.0188(4) 0.0181(4) 0.0046(4) 0.0062(4) 0.0029(4) C24 0.0615(10) 0.0355(7) 0.0211(6) 0.0107(7) 0.0169(6) 0.0103(5) C25 0.0182(4) 0.0158(4) 0.0169(4) 0.0044(3) 0.0069(3) 0.0020(3) C26 0.0199(5) 0.0195(5) 0.0263(5) 0.0069(4) 0.0085(4) -0.0001(4) C27 0.0245(5) 0.0179(5) 0.0276(5) 0.0066(4) 0.0082(4) -0.0013(4) C28 0.0214(5) 0.0192(5) 0.0187(4) 0.0026(4) 0.0057(4) 0.0020(4) C29 0.0182(5) 0.0273(5) 0.0252(5) 0.0062(4) 0.0068(4) -0.0010(4) C30 0.0206(5) 0.0224(5) 0.0244(5) 0.0077(4) 0.0073(4) -0.0028(4) C31 0.0217(6) 0.0409(7) 0.0324(6) -0.0034(5) 0.0045(5) -0.0004(5) C32 0.0701(12) 0.0490(10) 0.0572(11) 0.0328(9) 0.0283(9) 0.0210(8) Cl1A 0.104(3) 0.0631(13) 0.0563(13) 0.0427(15) 0.0394(16) 0.0343(11) Cl1B 0.0648(14) 0.0990(17) 0.0501(10) 0.0193(13) 0.0146(10) 0.0415(9) Cl2 0.03877(19) 0.0537(2) 0.0484(2) 0.00556(17) 0.01330(16) 0.00379(18) 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' Mo Mo -1.6832 0.6857 '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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C1 Mo1 C2 . . 106.36(5) y C1 Mo1 C3 . . 72.49(4) y C2 Mo1 C3 . . 74.79(4) y C2 Mo1 C9 . . 140.57(5) ? C1 Mo1 C9 . . 100.33(5) ? C3 Mo1 C9 . . 86.50(5) ? C2 Mo1 C10 . . 106.27(5) ? C1 Mo1 C10 . . 131.51(5) ? C3 Mo1 C10 . . 82.71(5) ? C9 Mo1 C10 . . 35.86(5) ? C2 Mo1 C8 . . 153.82(5) ? C1 Mo1 C8 . . 99.03(5) ? C3 Mo1 C8 . . 120.03(4) ? C9 Mo1 C8 . . 35.30(5) ? C10 Mo1 C8 . . 58.80(5) ? C2 Mo1 C6 . . 96.95(5) ? C1 Mo1 C6 . . 156.61(5) ? C3 Mo1 C6 . . 112.97(4) ? C9 Mo1 C6 . . 58.69(5) ? C10 Mo1 C6 . . 34.97(5) ? C8 Mo1 C6 . . 58.10(4) ? C2 Mo1 C7 . . 119.76(5) ? C1 Mo1 C7 . . 127.63(5) ? C3 Mo1 C7 . . 140.20(4) ? C9 Mo1 C7 . . 58.32(4) ? C10 Mo1 C7 . . 58.06(4) ? C8 Mo1 C7 . . 34.79(4) ? C6 Mo1 C7 . . 34.56(4) ? C1 Mo1 P1 . . 79.97(3) y C2 Mo1 P1 . . 79.79(3) y C3 Mo1 P1 . . 134.90(3) y C9 Mo1 P1 . . 133.97(4) ? C10 Mo1 P1 . . 140.75(3) ? C8 Mo1 P1 . . 98.76(3) ? C6 Mo1 P1 . . 106.54(3) ? C7 Mo1 P1 . . 84.85(3) ? C25 P1 C18 . . 102.11(5) ? C25 P1 C11 . . 101.79(5) ? C18 P1 C11 . . 102.80(5) ? C25 P1 Mo1 . . 117.73(3) ? C18 P1 Mo1 . . 117.30(3) ? C11 P1 Mo1 . . 112.88(3) ? C14 O4 C17 . . 118.55(10) ? C21 O5 C24 . . 117.63(10) ? C28 O6 C31 . . 117.18(10) ? O1 C1 Mo1 . . 175.82(11) ? O2 C2 Mo1 . . 175.76(10) ? O3 C3 C4 . . 116.42(11) ? O3 C3 Mo1 . . 120.75(9) ? C4 C3 Mo1 . . 122.76(8) ? C5 C4 C3 . . 113.12(11) ? C5 C4 H4A . . 109.0 ? C3 C4 H4A . . 109.0 ? C5 C4 H4B . . 109.0 ? C3 C4 H4B . . 109.0 ? H4A C4 H4B . . 107.8 ? C4 C5 H5A . . 109.5 ? C4 C5 H5B . . 109.5 ? H5A C5 H5B . . 109.5 ? C4 C5 H5C . . 109.5 ? H5A C5 H5C . . 109.5 ? H5B C5 H5C . . 109.5 ? C10 C6 C7 . . 107.57(11) ? C10 C6 Mo1 . . 70.11(7) ? C7 C6 Mo1 . . 72.73(7) ? C10 C6 H6 . . 126.1 ? C7 C6 H6 . . 126.1 ? Mo1 C6 H6 . . 126.1 ? C6 C7 C8 . . 108.64(11) ? C6 C7 Mo1 . . 72.71(7) ? C8 C7 Mo1 . . 71.55(7) ? C6 C7 H7 . . 125.6 ? C8 C7 H7 . . 125.6 ? Mo1 C7 H7 . . 125.6 ? C9 C8 C7 . . 107.71(11) ? C9 C8 Mo1 . . 70.54(7) ? C7 C8 Mo1 . . 73.66(7) ? C9 C8 H8 . . 126.0 ? C7 C8 H8 . . 126.0 ? Mo1 C8 H8 . . 126.0 ? C8 C9 C10 . . 107.85(11) ? C8 C9 Mo1 . . 74.16(7) ? C10 C9 Mo1 . . 72.52(7) ? C8 C9 H9 . . 125.8 ? C10 C9 H9 . . 125.8 ? Mo1 C9 H9 . . 125.8 ? C6 C10 C9 . . 108.20(11) ? C6 C10 Mo1 . . 74.93(7) ? C9 C10 Mo1 . . 71.62(7) ? C6 C10 H10 . . 125.7 ? C9 C10 H10 . . 125.7 ? Mo1 C10 H10 . . 125.7 ? C12 C11 C16 . . 118.13(10) ? C12 C11 P1 . . 119.07(8) ? C16 C11 P1 . . 122.64(8) ? C13 C12 C11 . . 121.61(10) ? C13 C12 H12 . . 119.2 ? C11 C12 H12 . . 119.2 ? C12 C13 C14 . . 119.18(10) ? C12 C13 H13 . . 120.4 ? C14 C13 H13 . . 120.4 ? O4 C14 C15 . . 115.39(10) ? O4 C14 C13 . . 124.68(11) ? C15 C14 C13 . . 119.93(10) ? C16 C15 C14 . . 120.25(10) ? C16 C15 H15 . . 119.9 ? C14 C15 H15 . . 119.9 ? C15 C16 C11 . . 120.87(10) ? C15 C16 H16 . . 119.6 ? C11 C16 H16 . . 119.6 ? O4 C17 H17A . . 109.5 ? O4 C17 H17B . . 109.5 ? H17A C17 H17B . . 109.5 ? O4 C17 H17C . . 109.5 ? H17A C17 H17C . . 109.5 ? H17B C17 H17C . . 109.5 ? C23 C18 C19 . . 117.86(10) ? C23 C18 P1 . . 122.10(8) ? C19 C18 P1 . . 119.96(8) ? C20 C19 C18 . . 121.19(10) ? C20 C19 H19 . . 119.4 ? C18 C19 H19 . . 119.4 ? C19 C20 C21 . . 120.10(10) ? C19 C20 H20 . . 120.0 ? C21 C20 H20 . . 120.0 ? O5 C21 C22 . . 124.58(10) ? O5 C21 C20 . . 115.76(10) ? C22 C21 C20 . . 119.66(10) ? C21 C22 C23 . . 119.65(10) ? C21 C22 H22 . . 120.2 ? C23 C22 H22 . . 120.2 ? C18 C23 C22 . . 121.48(10) ? C18 C23 H23 . . 119.3 ? C22 C23 H23 . . 119.3 ? O5 C24 H24A . . 109.5 ? O5 C24 H24B . . 109.5 ? H24A C24 H24B . . 109.5 ? O5 C24 H24C . . 109.5 ? H24A C24 H24C . . 109.5 ? H24B C24 H24C . . 109.5 ? C30 C25 C26 . . 117.80(10) ? C30 C25 P1 . . 120.87(8) ? C26 C25 P1 . . 121.23(8) ? C27 C26 C25 . . 121.21(10) ? C27 C26 H26 . . 119.4 ? C25 C26 H26 . . 119.4 ? C26 C27 C28 . . 120.13(10) ? C26 C27 H27 . . 119.9 ? C28 C27 H27 . . 119.9 ? O6 C28 C29 . . 124.40(10) ? O6 C28 C27 . . 115.94(10) ? C29 C28 C27 . . 119.66(10) ? C30 C29 C28 . . 119.63(10) ? C30 C29 H29 . . 120.2 ? C28 C29 H29 . . 120.2 ? C29 C30 C25 . . 121.55(10) ? C29 C30 H30 . . 119.2 ? C25 C30 H30 . . 119.2 ? O6 C31 H31A . . 109.5 ? O6 C31 H31B . . 109.5 ? H31A C31 H31B . . 109.5 ? O6 C31 H31C . . 109.5 ? H31A C31 H31C . . 109.5 ? H31B C31 H31C . . 109.5 ? Cl1A C32 Cl2 . . 112.38(13) ? Cl2 C32 Cl1B . . 111.88(16) ? Cl1A C32 H32A . . 109.1 ? Cl2 C32 H32A . . 109.1 ? Cl1A C32 H32B . . 109.1 ? Cl2 C32 H32B . . 109.1 ? H32A C32 H32B . . 107.9 ? Cl2 C32 H32C . . 109.2 ? Cl1B C32 H32C . . 109.2 ? Cl2 C32 H32D . . 109.2 ? Cl1B C32 H32D . . 109.2 ? H32C C32 H32D . . 107.9 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Mo1 P1 . 2.4745(3) y Mo1 C1 . 1.9675(12) y Mo1 C2 . 1.9658(12) y Mo1 C3 . 2.2564(11) y Mo1 C9 . 2.3092(12) ? Mo1 C10 . 2.3210(12) ? Mo1 C8 . 2.3562(12) ? Mo1 C6 . 2.3833(12) ? Mo1 C7 . 2.3835(11) ? P1 C25 . 1.8232(11) ? P1 C18 . 1.8283(11) ? P1 C11 . 1.8307(11) ? O1 C1 . 1.1540(15) ? O2 C2 . 1.1547(15) ? O3 C3 . 1.2192(14) ? O4 C14 . 1.3612(14) ? O4 C17 . 1.4246(17) ? O5 C21 . 1.3576(13) ? O5 C24 . 1.4298(16) ? O6 C28 . 1.3595(13) ? O6 C31 . 1.4287(16) ? C3 C4 . 1.5329(17) ? C4 C5 . 1.5251(19) ? C4 H4A . 0.99 ? C4 H4B . 0.99 ? C5 H5A . 0.98 ? C5 H5B . 0.98 ? C5 H5C . 0.98 ? C6 C10 . 1.4146(18) ? C6 C7 . 1.4159(17) ? C6 H6 . 1.0 ? C7 C8 . 1.4172(17) ? C7 H7 . 1.0 ? C8 C9 . 1.4153(19) ? C8 H8 . 1.0 ? C9 C10 . 1.426(2) ? C9 H9 . 1.0 ? C10 H10 . 1.0 ? C11 C12 . 1.3963(15) ? C11 C16 . 1.3970(14) ? C12 C13 . 1.3920(15) ? C12 H12 . 0.95 ? C13 C14 . 1.3942(16) ? C13 H13 . 0.95 ? C14 C15 . 1.3908(16) ? C15 C16 . 1.3863(16) ? C15 H15 . 0.95 ? C16 H16 . 0.95 ? C17 H17A . 0.98 ? C17 H17B . 0.98 ? C17 H17C . 0.98 ? C18 C23 . 1.3925(14) ? C18 C19 . 1.4026(15) ? C19 C20 . 1.3823(16) ? C19 H19 . 0.95 ? C20 C21 . 1.3974(16) ? C20 H20 . 0.95 ? C21 C22 . 1.3876(15) ? C22 C23 . 1.3959(15) ? C22 H22 . 0.95 ? C23 H23 . 0.95 ? C24 H24A . 0.98 ? C24 H24B . 0.98 ? C24 H24C . 0.98 ? C25 C30 . 1.3928(15) ? C25 C26 . 1.4009(14) ? C26 C27 . 1.3830(15) ? C26 H26 . 0.95 ? C27 C28 . 1.3917(16) ? C27 H27 . 0.95 ? C28 C29 . 1.3914(16) ? C29 C30 . 1.3905(16) ? C29 H29 . 0.95 ? C30 H30 . 0.95 ? C31 H31A . 0.98 ? C31 H31B . 0.98 ? C31 H31C . 0.98 ? C32 Cl1A . 1.705(3) ? C32 Cl2 . 1.7561(19) ? C32 Cl1B . 1.783(4) ? C32 H32A . 0.99 ? C32 H32B . 0.99 ? C32 H32C . 0.99 ? C32 H32D . 0.99 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag C31 H31B O5 1_665 0.98 2.58 3.4880(16) 154.6 y C6 H6 O3 2_655 1.00 2.57 3.4555(16) 147.5 y C8 H8 O1 2_665 1.00 2.45 3.2714(16) 138.7 y C32 H32B O2 1_455 0.99 2.63 3.418(2) 137.0 y 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag O3 C3 C4 C5 . . . . -45.68(17) ? Mo1 C3 C4 C5 . . . . 137.17(10) y C10 C6 C7 C8 . . . . 1.13(13) ? Mo1 C6 C7 C8 . . . . 62.95(8) ? C10 C6 C7 Mo1 . . . . -61.82(8) ? C6 C7 C8 C9 . . . . -0.97(13) ? Mo1 C7 C8 C9 . . . . 62.73(8) ? C6 C7 C8 Mo1 . . . . -63.70(8) ? C7 C8 C9 C10 . . . . 0.43(14) ? Mo1 C8 C9 C10 . . . . 65.20(9) ? C7 C8 C9 Mo1 . . . . -64.78(8) ? C7 C6 C10 C9 . . . . -0.86(14) ? Mo1 C6 C10 C9 . . . . -64.38(8) ? C7 C6 C10 Mo1 . . . . 63.52(8) ? C8 C9 C10 C6 . . . . 0.27(14) ? Mo1 C9 C10 C6 . . . . 66.56(9) ? C8 C9 C10 Mo1 . . . . -66.29(9) ? C25 P1 C11 C12 . . . . 71.91(9) ? C18 P1 C11 C12 . . . . 177.41(9) ? Mo1 P1 C11 C12 . . . . -55.25(9) ? C25 P1 C11 C16 . . . . -103.61(10) ? C18 P1 C11 C16 . . . . 1.89(10) ? Mo1 P1 C11 C16 . . . . 129.22(8) ? C16 C11 C12 C13 . . . . 1.21(17) ? P1 C11 C12 C13 . . . . -174.52(9) ? C11 C12 C13 C14 . . . . -0.71(18) ? C17 O4 C14 C15 . . . . -179.30(12) ? C17 O4 C14 C13 . . . . 1.31(19) ? C12 C13 C14 O4 . . . . 178.64(11) ? C12 C13 C14 C15 . . . . -0.72(18) ? O4 C14 C15 C16 . . . . -177.78(11) ? C13 C14 C15 C16 . . . . 1.64(18) ? C14 C15 C16 C11 . . . . -1.13(18) ? C12 C11 C16 C15 . . . . -0.28(17) ? P1 C11 C16 C15 . . . . 175.28(9) ? C25 P1 C18 C23 . . . . 10.34(10) ? C11 P1 C18 C23 . . . . -94.92(9) ? Mo1 P1 C18 C23 . . . . 140.61(8) ? C25 P1 C18 C19 . . . . -173.09(9) ? C11 P1 C18 C19 . . . . 81.66(10) ? Mo1 P1 C18 C19 . . . . -42.82(10) ? C23 C18 C19 C20 . . . . 2.47(17) ? P1 C18 C19 C20 . . . . -174.25(10) ? C18 C19 C20 C21 . . . . -2.02(19) ? C24 O5 C21 C22 . . . . 4.22(18) ? C24 O5 C21 C20 . . . . -175.32(12) ? C19 C20 C21 O5 . . . . 179.25(11) ? C19 C20 C21 C22 . . . . -0.32(18) ? O5 C21 C22 C23 . . . . -177.41(11) ? C20 C21 C22 C23 . . . . 2.11(17) ? C19 C18 C23 C22 . . . . -0.64(16) ? P1 C18 C23 C22 . . . . 176.00(8) ? C21 C22 C23 C18 . . . . -1.63(17) ? C18 P1 C25 C30 . . . . 86.31(10) ? C11 P1 C25 C30 . . . . -167.65(9) ? Mo1 P1 C25 C30 . . . . -43.70(10) ? C18 P1 C25 C26 . . . . -90.06(10) ? C11 P1 C25 C26 . . . . 15.98(10) ? Mo1 P1 C25 C26 . . . . 139.94(8) ? C30 C25 C26 C27 . . . . 0.61(17) ? P1 C25 C26 C27 . . . . 177.08(9) ? C25 C26 C27 C28 . . . . -0.54(18) ? C31 O6 C28 C29 . . . . 14.43(17) ? C31 O6 C28 C27 . . . . -165.75(12) ? C26 C27 C28 O6 . . . . 179.75(11) ? C26 C27 C28 C29 . . . . -0.42(18) ? O6 C28 C29 C30 . . . . -178.90(11) ? C27 C28 C29 C30 . . . . 1.28(18) ? C28 C29 C30 C25 . . . . -1.22(19) ? C26 C25 C30 C29 . . . . 0.27(17) ? P1 C25 C30 C29 . . . . -176.21(9) ? _cod_database_fobs_code 2243897