#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/22/7222287.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7222287 loop_ _publ_author_name 'Korsching, Kai R.' 'Sch\"afer, Hannes' 'Sch\"onborn, Josefine' 'Nimthong-Rold\'an, Arunpatcha' 'Zeller, Matthias' 'Azov, Vladimir A.' _publ_section_title ; Enhancement of Electron-donating Character in Alkylated Monopyrrolo-tetrathiafultvalene Derivatives ; _journal_name_full 'RSC Adv.' _journal_paper_doi 10.1039/C5RA19012F _journal_year 2015 _chemical_formula_moiety 'C17 H15 N O2 S5' _chemical_formula_sum 'C17 H15 N O2 S5' _chemical_formula_weight 425.60 _chemical_melting_point 513 _chemical_name_systematic 11,12-Dimethyl-5-(4-methylbenzenesulfonyl)-2,8,10,13-tetrathia-5-azatricyclo[7.4.0.03,7]trideca-1(9),3,6,11-tetraen _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary patt _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2014/7 _audit_update_record ; 2015-07-24 deposited with the CCDC. 2015-09-23 downloaded from the CCDC. ; _cell_angle_alpha 107.566(2) _cell_angle_beta 103.414(2) _cell_angle_gamma 92.688(2) _cell_formula_units_Z 2 _cell_length_a 8.9673(14) _cell_length_b 9.3214(15) _cell_length_c 11.9354(19) _cell_measurement_reflns_used 8553 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 31.3245 _cell_measurement_theta_min 2.3099 _cell_volume 917.8(3) _computing_cell_refinement 'SAINT (Bruker, 2003)' _computing_data_collection 'SMART (Bruker, 1998)' _computing_data_reduction SAINT _computing_molecular_graphics 'Mercury (Macrea, 2008)' _computing_publication_material ; SHELXL97 (Sheldrick, 2008) ; _computing_structure_refinement ; SHELXL-2012 (Sheldrick, 2012), SHELXLE Rev609 (H\"ubschle et al., 2011) ; _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.992 _diffrn_measured_fraction_theta_max 0.899 _diffrn_measurement_device_type 'Bruker AXS Smart Apex CCD Diffractometer' _diffrn_measurement_method 'Phi and Omega scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0264 _diffrn_reflns_av_unetI/netI 0.0317 _diffrn_reflns_Laue_measured_fraction_full 0.992 _diffrn_reflns_Laue_measured_fraction_max 0.899 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 10464 _diffrn_reflns_point_group_measured_fraction_full 0.992 _diffrn_reflns_point_group_measured_fraction_max 0.899 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 31.331 _diffrn_reflns_theta_min 2.354 _diffrn_source 'sealed tube' _exptl_absorpt_coefficient_mu 0.643 _exptl_absorpt_correction_T_max 0.7462 _exptl_absorpt_correction_T_min 0.6529 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS V 2.10 (Sheldrick, 2003)' _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.540 _exptl_crystal_description block _exptl_crystal_F_000 440 _exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: dichloromethane/cyclohexane' _exptl_crystal_size_max 0.550 _exptl_crystal_size_mid 0.520 _exptl_crystal_size_min 0.390 _refine_diff_density_max 0.534 _refine_diff_density_min -0.330 _refine_diff_density_rms 0.075 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.025 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 230 _refine_ls_number_reflns 5416 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.025 _refine_ls_R_factor_all 0.0303 _refine_ls_R_factor_gt 0.0290 _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^)+(0.0459P)^2^+0.4251P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0816 _refine_ls_wR_factor_ref 0.0828 _reflns_Friedel_coverage 0.000 _reflns_number_gt 5133 _reflns_number_total 5416 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c5ra19012f2.cif _cod_data_source_block 13RN078_0m _cod_database_code 7222287 _shelx_shelxl_version_number 2014/7 _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. ; _shelx_estimated_absorpt_t_min 0.719 _shelx_estimated_absorpt_t_max 0.788 _shelx_res_file ; 13RN078_0m.res created by SHELXL-2014/7 TITL 13RN078_0m in P-1 CELL 0.71073 8.9673 9.3214 11.9354 107.566 103.414 92.688 ZERR 2.00 0.0014 0.0015 0.0019 0.002 0.002 0.002 LATT 1 SFAC C H N O S UNIT 34 30 2 4 10 LIST 4 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP -173.500 SIZE 0.39 0.52 0.55 L.S. 14 ACTA CONF BOND $H HTAB FMAP 2 PLAN 20 OMIT 0 0 1 WGHT 0.045900 0.425100 FVAR 0.92757 0.66830 S1 5 -0.415680 0.299163 0.158477 11.00000 0.01109 0.01380 = 0.01524 0.00724 0.00272 0.00278 O1 4 -0.460483 0.399709 0.258156 11.00000 0.01849 0.02427 = 0.01903 0.01071 0.00947 0.00903 S2 5 0.159088 0.278769 0.438104 11.00000 0.01163 0.01146 = 0.01539 0.00356 0.00078 -0.00031 O2 4 -0.516344 0.167604 0.075944 11.00000 0.01491 0.01686 = 0.02572 0.00963 -0.00196 -0.00131 S3 5 0.238367 0.096082 0.605583 11.00000 0.01294 0.01698 = 0.01055 0.00342 0.00333 0.00366 S4 5 0.137803 -0.209921 0.385193 11.00000 0.01217 0.01191 = 0.01474 0.00408 0.00337 0.00204 S5 5 0.065678 -0.040264 0.208330 11.00000 0.01441 0.01542 = 0.01076 0.00284 0.00309 0.00519 N1 3 -0.258083 0.231336 0.221185 11.00000 0.01265 0.01250 = 0.01384 0.00529 0.00085 0.00306 C1 1 -0.213735 0.566027 -0.042829 11.00000 0.01440 0.02821 = 0.01941 0.01440 0.00334 0.00217 C2 1 -0.248542 0.639891 0.066324 11.00000 0.02373 0.01633 = 0.02018 0.00792 0.00309 -0.00206 AFIX 43 H2 2 -0.228033 0.747312 0.099196 11.00000 -1.20000 AFIX 0 C3 1 -0.312944 0.559052 0.128239 11.00000 0.02110 0.01282 = 0.01392 0.00347 0.00466 0.00182 AFIX 43 H3 2 -0.335479 0.610233 0.203111 11.00000 -1.20000 AFIX 0 C4 1 -0.343474 0.402656 0.078534 11.00000 0.01284 0.01279 = 0.01150 0.00536 0.00252 0.00251 C5 1 -0.311193 0.325239 -0.031207 11.00000 0.03035 0.01646 = 0.01488 0.00299 0.00849 0.00558 AFIX 43 H5 2 -0.333237 0.217939 -0.064529 11.00000 -1.20000 AFIX 0 C6 1 -0.246286 0.408233 -0.090546 11.00000 0.03014 0.02840 = 0.01675 0.00849 0.01262 0.00978 AFIX 43 H6 2 -0.223447 0.356754 -0.165230 11.00000 -1.20000 AFIX 0 C7 1 -0.143223 0.653248 -0.109614 11.00000 0.02396 0.04692 = 0.03199 0.02593 0.00828 -0.00107 AFIX 127 H7A 2 -0.135092 0.762259 -0.067005 21.00000 -1.50000 H7B 2 -0.208706 0.629358 -0.192612 21.00000 -1.50000 H7C 2 -0.040038 0.624823 -0.112638 21.00000 -1.50000 H7D 2 -0.120798 0.582034 -0.181165 -21.00000 -1.50000 H7E 2 -0.047185 0.714935 -0.055558 -21.00000 -1.50000 H7F 2 -0.215853 0.719470 -0.135532 -21.00000 -1.50000 AFIX 0 C8 1 -0.142842 0.317691 0.322711 11.00000 0.01396 0.01263 = 0.01259 0.00451 0.00192 0.00160 AFIX 43 H8 2 -0.148843 0.414109 0.377300 11.00000 -1.20000 AFIX 0 C9 1 -0.019094 0.237007 0.328839 11.00000 0.01180 0.01225 = 0.01214 0.00452 0.00243 0.00067 C10 1 0.171293 0.097294 0.455747 11.00000 0.00979 0.01357 = 0.01261 0.00479 0.00299 0.00238 C11 1 0.360458 -0.050431 0.588542 11.00000 0.00979 0.01881 = 0.01443 0.00831 0.00433 0.00298 C12 1 0.318119 -0.180401 0.495537 11.00000 0.01133 0.01688 = 0.01563 0.00874 0.00527 0.00388 C13 1 0.130623 -0.032879 0.361874 11.00000 0.01039 0.01368 = 0.01260 0.00501 0.00328 0.00328 C14 1 -0.059226 0.098840 0.228526 11.00000 0.01314 0.01199 = 0.01235 0.00471 0.00338 0.00237 C15 1 -0.207000 0.097200 0.162606 11.00000 0.01464 0.01148 = 0.01379 0.00524 0.00238 0.00220 AFIX 43 H15 2 -0.263457 0.019607 0.090930 11.00000 -1.20000 AFIX 0 C16 1 0.507921 -0.010315 0.688573 11.00000 0.01166 0.02415 = 0.01702 0.00992 0.00130 0.00099 AFIX 137 H16A 2 0.483508 0.021575 0.767682 11.00000 -1.50000 H16B 2 0.572408 0.072709 0.681514 11.00000 -1.50000 H16C 2 0.563859 -0.099109 0.681651 11.00000 -1.50000 AFIX 0 C17 1 0.409210 -0.313405 0.470462 11.00000 0.01770 0.01888 = 0.02344 0.00969 0.00678 0.00825 AFIX 137 H17A 2 0.490512 -0.304812 0.543809 11.00000 -1.50000 H17B 2 0.456219 -0.313771 0.404010 11.00000 -1.50000 H17C 2 0.340040 -0.407985 0.447286 11.00000 -1.50000 REM ##### AFIX 0 HKLF 4 REM 13RN078_0m in P-1 REM R1 = 0.0290 for 5133 Fo > 4sig(Fo) and 0.0303 for all 5416 data REM 230 parameters refined using 0 restraints END WGHT 0.0451 0.3707 REM Instructions for potential hydrogen bonds EQIV $1 -x, -y+1, -z+1 HTAB C3 S3_$1 EQIV $2 -x-1, -y, -z HTAB C15 O2_$2 REM Highest difference peak 0.534, deepest hole -0.330, 1-sigma level 0.075 Q1 1 -0.4409 0.3606 0.2101 11.00000 0.05 0.53 Q2 1 0.4342 -0.0394 0.6353 11.00000 0.05 0.53 Q3 1 -0.3295 0.3655 0.0225 11.00000 0.05 0.53 Q4 1 -0.0071 0.0245 0.2137 11.00000 0.05 0.51 Q5 1 -0.2230 0.5970 0.0170 11.00000 0.05 0.50 Q6 1 -0.0768 0.2780 0.3256 11.00000 0.05 0.50 Q7 1 -0.3919 0.3440 0.1114 11.00000 0.05 0.50 Q8 1 -0.1330 0.0935 0.1926 11.00000 0.05 0.49 Q9 1 -0.2789 0.5973 0.0956 11.00000 0.05 0.47 Q10 1 -0.0355 0.1731 0.2758 11.00000 0.05 0.46 Q11 1 0.3501 -0.1222 0.5442 11.00000 0.05 0.45 Q12 1 -0.4948 0.2448 0.1166 11.00000 0.05 0.44 Q13 1 -0.2002 0.2814 0.2689 11.00000 0.05 0.44 Q14 1 -0.2637 0.3688 -0.0508 11.00000 0.05 0.43 Q15 1 -0.3233 0.4791 0.0971 11.00000 0.05 0.43 Q16 1 0.1154 0.0348 0.4068 11.00000 0.05 0.42 Q17 1 -0.1875 0.6070 -0.0781 11.00000 0.05 0.42 Q18 1 0.3715 -0.2369 0.4945 11.00000 0.05 0.41 Q19 1 0.0742 0.2539 0.3879 11.00000 0.05 0.40 Q20 1 0.3034 0.0213 0.5950 11.00000 0.05 0.38 ; _shelx_res_checksum 22633 _shelx_hkl_file ; -1 0 0 74.4997 2.37854 2 1 0 0 53.9520 2.43867 1 -2 0 0 1411.05 51.2570 3 -2 0 0 1353.27 46.9186 2 2 0 0 1323.36 47.9720 1 -3 0 0 3197.26 123.343 3 -3 0 0 3657.46 113.262 2 3 0 0 2993.46 116.655 1 -4 0 0 22.4037 1.25195 2 -4 0 0 29.8544 1.31289 3 4 0 0 23.3239 1.37848 1 -5 0 0 0.37538 0.35585 2 -5 0 0 0.82192 0.34214 3 5 0 0 0.53160 0.43837 1 -6 0 0 1.31065 0.44830 2 -6 0 0 0.48100 0.31414 3 6 0 0 0.11233 0.38408 1 -7 0 0 127.880 5.17554 3 -7 0 0 118.013 4.92931 2 7 0 0 116.726 5.28241 1 -8 0 0 40.0430 2.21383 2 8 0 0 35.9842 2.44911 1 -9 0 0 95.7397 4.31901 2 9 0 0 92.8773 4.72932 1 -10 0 0 638.861 22.9140 2 10 0 0 633.948 24.0878 1 -11 0 0 969.460 33.7419 2 11 0 0 930.336 35.3000 1 12 0 0 289.502 12.5371 1 12 -1 0 0.88013 1.05109 1 11 -1 0 73.3088 4.39386 1 10 -1 0 789.545 29.3929 1 -10 1 0 786.437 27.9804 2 9 -1 0 3.33138 0.93014 1 -9 1 0 1.45514 0.63754 2 8 -1 0 35.1727 2.34851 1 7 -1 0 265.917 10.6445 1 -7 1 0 287.975 10.1501 2 -7 1 0 265.299 10.7778 3 5 -1 0 408.777 15.5955 1 -5 1 0 415.796 14.9749 2 -5 1 0 449.130 16.2821 3 4 -1 0 34.5947 1.79313 1 -4 1 0 36.6098 1.72285 3 -4 1 0 37.2341 1.68263 2 3 -1 0 4262.27 153.190 1 -3 1 0 4163.35 148.044 2 -3 1 0 4512.63 162.010 3 2 -1 0 4492.53 169.924 1 2 -1 0 5288.40 180.412 3 -2 1 0 4649.75 164.311 2 1 -1 0 61.1514 2.45157 3 1 -1 0 51.9759 2.28015 1 -1 1 0 60.0975 2.23500 2 -1 -1 0 5499.05 187.768 2 -2 -1 0 263.381 10.4756 3 -2 -1 0 272.988 9.63724 2 2 1 0 276.829 9.96098 1 -3 -1 0 1464.28 51.3137 2 3 1 0 1542.10 53.0756 1 -4 -1 0 613.171 21.8359 2 -4 -1 0 632.187 23.7451 3 4 1 0 643.525 22.6589 1 -5 -1 0 16.8763 0.99726 3 -5 -1 0 15.7869 1.08141 2 5 1 0 17.4777 1.23025 1 -6 -1 0 295.540 10.8772 2 -6 -1 0 295.285 11.5716 3 6 1 0 306.262 11.4210 1 -7 -1 0 1102.89 38.3957 2 7 1 0 1109.85 39.8652 1 -8 -1 0 224.671 8.68693 2 8 1 0 226.636 9.22292 1 -9 -1 0 327.363 12.1699 2 9 1 0 318.692 12.8339 1 -10 -1 0 127.613 5.63508 2 10 1 0 123.368 6.09144 1 -11 -1 0 0.99155 0.87125 2 11 1 0 1.63330 1.05011 1 12 1 0 2.05556 1.37891 1 12 -2 0 51.6006 3.87829 1 11 -2 0 76.3725 4.54257 1 10 -2 0 56.0910 3.53867 1 -10 2 0 54.4505 3.08397 2 9 -2 0 49.3982 3.09976 1 -9 2 0 52.3318 2.76647 2 8 -2 0 248.379 10.0490 1 -8 2 0 252.476 9.45314 2 7 -2 0 3582.87 133.784 1 -7 2 0 3983.52 141.743 3 -7 2 0 3807.55 129.301 2 6 -2 0 422.235 16.1850 1 -6 2 0 454.691 16.8634 3 -6 2 0 432.330 15.5047 2 -5 2 0 71.1113 3.13794 3 -5 2 0 71.2354 2.97310 2 4 -2 0 25.7155 1.37955 3 -4 2 0 27.4367 1.34832 2 3 -2 0 410.973 14.8697 1 3 -2 0 420.335 15.7093 3 -3 2 0 404.915 14.3487 2 2 -2 0 2206.18 90.1954 3 2 -2 0 2720.97 86.3468 1 -2 2 0 2322.85 83.0461 2 1 -2 0 -2.2978 0.22509 1 -1 2 0 -2.1192 0.28273 2 0 -2 0 1227.56 45.7775 3 0 -2 0 1218.56 43.0552 1 -1 -2 0 25.9912 1.19609 2 -1 -2 0 27.0000 1.28545 3 1 2 0 26.8378 1.09881 1 2 2 0 3587.78 127.086 1 -3 -2 0 903.499 32.7232 3 -3 -2 0 852.090 29.9347 2 3 2 0 849.340 30.8757 1 -4 -2 0 3401.35 116.152 2 -4 -2 0 3355.34 126.740 3 4 2 0 3332.99 119.272 1 -5 -2 0 1501.61 53.1611 3 -5 -2 0 1369.07 48.6670 2 5 2 0 1375.89 50.3129 1 -6 -2 0 136.994 5.84440 2 -6 -2 0 163.304 6.14413 3 6 2 0 148.070 6.16595 1 -7 -2 0 1440.89 51.9064 2 7 2 0 1566.82 53.8311 1 -8 -2 0 10.2650 1.23134 2 8 2 0 7.53566 1.15953 1 -9 -2 0 19.0377 1.70859 2 9 2 0 19.8021 1.97413 1 -10 -2 0 5.76196 1.17134 2 10 2 0 5.15090 1.25270 1 -11 -2 0 119.918 5.71272 2 11 2 0 125.419 6.28246 1 12 -3 0 84.7002 5.08937 1 11 -3 0 4.48077 1.28044 1 10 -3 0 613.034 22.6744 1 -10 3 0 575.137 21.3485 2 9 -3 0 89.9540 4.64494 1 -9 3 0 96.4812 4.27725 2 8 -3 0 7.07588 1.09634 1 -8 3 0 5.94846 0.87929 2 7 -3 0 391.595 14.5565 1 -7 3 0 378.223 15.0016 3 -7 3 0 379.623 13.8278 2 6 -3 0 511.552 19.1003 1 -6 3 0 535.002 18.3508 2 -6 3 0 511.129 19.9754 3 5 -3 0 432.824 16.7018 3 5 -3 0 429.900 15.9150 1 -5 3 0 433.978 15.3146 2 4 -3 0 1508.19 54.2515 1 4 -3 0 1540.72 57.5603 3 -4 3 0 1550.00 52.4854 2 3 -3 0 1272.61 48.6002 3 3 -3 0 1283.69 45.7202 1 -3 3 0 1323.55 44.3023 2 2 -3 0 26.4419 1.26965 1 2 -3 0 28.7301 1.48436 3 -2 3 0 25.1911 1.31326 2 1 -3 0 259.751 10.1142 3 1 -3 0 262.306 9.25818 1 -1 3 0 255.316 9.18277 2 0 -3 0 3075.44 109.684 1 0 -3 0 2869.83 117.689 3 0 3 0 3419.39 108.019 2 -1 -3 0 754.554 28.8574 3 -1 -3 0 728.076 26.3230 2 1 3 0 791.748 26.9358 1 -2 -3 0 748.780 29.4683 3 2 3 0 811.062 27.6299 1 -3 -3 0 603.809 23.7763 3 3 3 0 648.148 22.3888 1 -4 -3 0 45.9691 2.12639 3 4 3 0 37.8683 1.99711 1 -5 -3 0 3.06021 0.54070 3 -5 -3 0 0.41497 0.40573 2 5 3 0 1.05861 0.42576 1 -6 -3 0 41.6753 2.24172 3 -6 -3 0 49.2742 2.41180 2 6 3 0 41.7360 2.37154 1 -7 -3 0 817.285 29.2197 2 7 3 0 843.568 30.2448 1 -8 -3 0 297.494 11.5947 2 8 3 0 315.469 12.1183 1 -9 -3 0 259.693 10.3153 2 9 3 0 266.153 10.7736 1 -10 -3 0 703.060 25.3790 2 10 3 0 697.118 26.3642 1 -11 -3 0 65.1695 3.84754 2 11 3 0 62.8610 4.13374 1 12 -4 0 12.5589 2.03353 1 11 -4 0 87.3388 4.95014 1 10 -4 0 6.54425 1.35185 1 9 -4 0 324.411 12.6339 1 -9 4 0 306.054 11.7703 2 8 -4 0 0.26001 0.56682 1 -8 4 0 0.74458 0.50520 2 7 -4 0 382.758 14.6764 1 -7 4 0 387.060 15.2644 3 -7 4 0 393.391 14.0418 2 6 -4 0 63.9023 3.06162 1 6 -4 0 63.5664 3.08476 3 -6 4 0 59.1906 2.83479 2 5 -4 0 802.502 28.4905 1 5 -4 0 795.150 30.1643 3 -5 4 0 776.927 27.5178 2 4 -4 0 1689.70 65.0462 3 4 -4 0 1723.79 61.2096 1 -4 4 0 1776.51 59.2946 2 3 -4 0 2069.76 79.0450 3 3 -4 0 2059.37 74.4332 1 -3 4 0 2195.58 72.0233 2 2 -4 0 2774.61 112.981 3 2 -4 0 3165.05 106.455 1 -2 4 0 3069.83 102.295 2 1 -4 0 1100.43 36.8577 1 1 -4 0 1020.02 39.5737 3 -1 4 0 1020.21 36.0058 2 0 -4 0 3.26611 0.58217 3 0 4 0 3.97713 0.57574 2 -1 -4 0 183.904 7.66108 3 1 4 0 197.687 6.87289 1 1 4 0 186.583 7.04309 2 -2 -4 0 56.5459 2.65053 2 -2 -4 0 57.6651 2.82801 3 2 4 0 65.3588 2.48174 1 -3 -4 0 1054.47 36.7676 2 -3 -4 0 1022.72 40.1480 3 3 4 0 1109.55 37.6933 1 -4 -4 0 169.190 6.58772 2 -4 -4 0 162.552 6.96498 3 4 4 0 177.615 6.59257 1 -5 -4 0 319.666 12.0122 2 -5 -4 0 330.110 12.8675 3 5 4 0 329.898 12.2338 1 -6 -4 0 661.956 24.1396 2 -6 -4 0 691.073 26.0801 3 6 4 0 687.885 24.8120 1 -7 -4 0 302.883 11.4782 2 7 4 0 300.639 11.7205 1 -8 -4 0 11.0182 1.42480 2 8 4 0 7.95526 1.24251 1 -9 -4 0 1815.57 63.5263 2 9 4 0 1839.19 65.6114 1 -10 -4 0 3.29415 1.07582 2 10 4 0 2.54591 1.12077 1 -11 -4 0 14.1949 1.93836 2 11 4 0 15.1779 2.07668 1 11 -5 0 99.5435 5.38423 1 10 -5 0 9.22918 1.54115 1 9 -5 0 10.7129 1.51978 1 -9 5 0 10.1899 1.33266 2 8 -5 0 275.986 10.8967 1 -8 5 0 269.329 10.2692 2 -8 5 0 272.754 11.1931 3 7 -5 0 1.15639 0.63068 1 -7 5 0 2.14630 0.61983 2 6 -5 0 247.351 9.76407 1 6 -5 0 249.840 10.2723 3 -6 5 0 260.450 9.46812 2 5 -5 0 3332.22 118.486 1 5 -5 0 3458.83 125.977 3 -5 5 0 3298.00 114.725 2 4 -5 0 107.525 4.82720 3 4 -5 0 110.029 4.40102 1 -4 5 0 107.158 4.38667 2 3 -5 0 173.548 6.41667 1 3 -5 0 158.133 7.06711 3 -3 5 0 178.639 6.48911 2 2 -5 0 3.89056 0.64031 3 -2 5 0 3.76324 0.56863 2 1 -5 0 26.1600 1.74958 3 1 -5 0 28.3047 1.22249 1 -1 5 0 30.7443 1.62863 2 0 -5 0 62.0757 3.04190 3 0 5 0 62.3023 2.81165 2 -1 -5 0 17.2183 1.26737 3 1 5 0 17.1690 1.22042 2 1 5 0 17.7837 0.83097 1 -2 -5 0 613.555 24.2165 3 2 5 0 646.399 22.4024 1 -3 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5534.01 183.103 3 -2 0 -2 4360.86 165.957 2 2 0 2 4693.97 172.530 1 -3 0 -2 498.896 16.6906 2 -3 0 -2 443.187 18.4072 3 3 0 2 506.633 17.4745 1 -4 0 -2 1523.39 58.8534 3 -4 0 -2 1541.13 53.5100 2 4 0 2 1636.99 55.5678 1 -5 0 -2 833.497 32.3557 3 -5 0 -2 874.047 29.4426 2 5 0 2 850.052 30.6934 1 -6 0 -2 22.3220 1.32851 2 -6 0 -2 20.2868 1.45657 3 6 0 2 18.9360 1.51681 1 -7 0 -2 174.225 6.92777 2 -7 0 -2 187.606 7.55717 3 7 0 2 181.755 7.52903 1 -8 0 -2 1353.43 45.5284 2 8 0 2 1273.69 47.4398 1 -9 0 -2 19.1145 1.67872 2 9 0 2 21.9027 2.16219 1 10 0 2 60.2364 3.84717 1 11 0 2 21.9680 2.50988 1 12 -1 -2 42.2709 3.37661 1 -12 1 2 47.5347 3.08546 2 11 -1 -2 5.26669 1.30980 1 -11 1 2 7.70736 1.27559 2 10 -1 -2 87.1528 4.51942 1 -10 1 2 79.6687 4.05662 2 9 -1 -2 35.2104 2.45115 1 -9 1 2 33.4733 2.18898 2 -7 1 2 58.1742 2.84352 2 6 -1 -2 2430.16 89.6038 1 -6 1 2 2523.80 86.7081 2 -6 1 2 2651.85 94.7418 3 5 -1 -2 1352.88 48.9023 1 -5 1 2 1355.61 47.3095 2 -5 1 2 1422.05 51.5109 3 4 -1 -2 1.80352 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836.522 31.3068 3 -3 3 2 825.326 28.6173 2 2 -3 -2 1384.39 52.6868 3 2 -3 -2 1453.83 49.6200 1 -2 3 2 1366.98 48.0586 2 0 -3 -2 281.788 10.8323 3 0 3 2 267.925 9.83720 2 -1 -3 -2 300.468 12.0786 3 1 3 2 319.712 11.0025 1 1 3 2 298.608 11.0082 2 -2 -3 -2 1463.11 56.5716 3 2 3 2 1440.83 51.5568 2 2 3 2 1604.46 53.0066 1 -3 -3 -2 43.0372 2.10973 2 -3 -3 -2 43.6115 2.28931 3 3 3 2 45.4205 2.01803 1 -4 -3 -2 1905.05 62.4080 2 -4 -3 -2 1679.60 68.3034 3 4 3 2 1867.34 64.2790 1 -5 -3 -2 30.8437 1.78132 2 -5 -3 -2 28.4106 1.81059 3 5 3 2 25.7778 1.67127 1 -6 -3 -2 34.5607 2.04082 2 -6 -3 -2 37.7578 2.14138 3 6 3 2 29.0962 2.00865 1 -7 -3 -2 112.818 5.01982 2 -7 -3 -2 118.530 5.49619 3 7 3 2 117.079 5.22648 1 -8 -3 -2 154.700 6.55986 2 8 3 2 158.076 6.90968 1 -9 -3 -2 17.4534 1.82526 2 9 3 2 17.0492 2.05082 1 10 3 2 32.2056 2.81796 1 11 3 2 3.70545 1.31255 1 12 -4 -2 137.405 6.93658 1 11 -4 -2 -0.0206 0.83514 1 -11 4 2 -0.2971 0.76180 2 10 -4 -2 635.208 23.9765 1 -10 4 2 636.500 22.9671 2 9 -4 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3.31383 3 -2 6 -3 956.567 31.1723 2 2 -6 3 894.525 32.1582 1 2 -6 3 851.124 34.4190 3 -3 6 -3 239.965 8.74911 2 3 -6 3 237.687 9.92739 3 3 -6 3 243.568 9.14489 1 -4 6 -3 776.336 26.6081 2 4 -6 3 767.478 27.6891 1 4 -6 3 756.561 29.5675 3 -5 6 -3 153.226 5.90195 2 5 -6 3 157.572 6.41130 1 -6 6 -3 9.03825 1.23977 3 6 -6 3 12.1194 1.28324 1 -7 6 -3 69.0947 3.94946 3 7 -6 3 84.3612 3.97837 1 -8 6 -3 95.2373 4.89454 3 8 -6 3 95.5467 4.75800 1 9 -6 3 72.9644 4.10177 1 10 -6 3 586.596 22.5307 1 11 -6 3 9.11062 1.75308 1 11 5 -3 56.7832 3.81822 1 -11 -5 3 61.6601 3.89450 2 10 5 -3 427.306 16.3478 1 -10 -5 3 400.825 15.8308 2 9 5 -3 45.6653 2.99689 1 -9 -5 3 44.7925 2.96873 2 8 5 -3 246.690 9.95996 1 -8 -5 3 244.279 9.76009 2 7 5 -3 95.4204 4.45995 1 -7 -5 3 94.1647 4.44822 2 6 5 -3 363.258 13.5402 1 -6 -5 3 351.428 13.2517 2 5 5 -3 1077.77 37.5161 1 -5 -5 3 1081.39 39.5255 3 -5 -5 3 978.427 36.4122 2 4 5 -3 1982.57 69.2432 1 -4 -5 3 1874.75 73.3653 3 -4 -5 3 2014.25 67.2278 2 3 5 -3 1016.82 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1.88983 1 -1 10 -11 132.655 7.05336 3 1 -10 11 142.442 6.55647 1 -2 10 -11 11.8508 1.93516 3 2 -10 11 16.6080 1.88566 1 -3 10 -11 336.944 14.6542 3 3 -10 11 321.567 13.3707 1 -4 10 -11 266.979 12.2314 3 4 -10 11 257.646 11.1246 1 5 -10 11 394.854 15.8944 1 8 9 -11 348.741 14.4539 1 -8 -9 11 362.480 14.1450 2 7 9 -11 504.018 20.4082 1 -7 -9 11 555.844 19.9190 2 6 9 -11 502.357 20.0566 1 -6 -9 11 541.144 19.4416 2 5 9 -11 352.092 14.0938 1 -4 -9 11 546.434 20.8441 1 -3 -9 11 6.15473 1.24043 1 2 9 -11 156.548 7.67475 3 -2 -9 11 177.345 7.53313 1 1 9 -11 129.533 6.65379 3 -1 -9 11 145.094 6.44498 1 0 9 -11 81.6398 4.67609 3 0 -9 11 81.9565 4.36386 1 -1 9 -11 166.406 7.97572 3 1 -9 11 160.686 7.35170 1 -2 9 -11 561.338 23.2560 3 2 -9 11 577.938 21.7310 1 -3 9 -11 99.5416 5.68231 3 3 -9 11 97.7684 5.14718 1 -4 9 -11 3.09074 1.23418 3 4 -9 11 4.90417 1.23970 1 -5 9 -11 1327.96 51.4964 3 5 -9 11 1301.64 48.0908 1 9 8 -11 568.146 22.5823 1 -9 -8 11 579.962 21.5770 2 8 8 -11 1.81376 1.04635 1 -8 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9 0 -13 41.2986 3.06497 1 -9 0 13 44.9595 3.15622 2 8 0 -13 132.090 6.27654 1 -8 0 13 135.311 6.20604 2 7 0 -13 1.41448 0.79789 1 -7 0 13 2.33480 0.88668 2 6 0 -13 433.851 16.5473 1 -6 0 13 426.857 15.9971 2 5 0 -13 31.6761 2.29165 1 -5 0 13 30.8112 2.20629 2 -4 0 13 68.3071 3.71048 1 3 0 -13 667.802 26.4844 3 -3 0 13 676.053 24.9310 1 2 0 -13 403.493 16.6051 3 -2 0 13 401.890 15.4701 1 1 0 -13 426.177 18.1073 3 -1 0 13 457.196 16.9320 1 0 0 -13 531.144 21.3910 3 0 0 13 519.489 19.8258 1 -1 0 -13 135.271 6.96714 3 1 0 13 139.630 6.26503 1 -2 0 -13 208.406 9.75722 3 -3 0 -13 -0.5587 0.93629 3 -4 0 -13 16.5389 2.34052 3 -9 1 13 18.8830 2.27341 2 -8 1 13 24.5450 2.33535 2 -7 1 13 118.959 5.62653 2 -6 1 13 3.23379 1.02469 2 -5 1 13 2.17394 0.83375 2 4 -1 -13 134.040 6.43374 3 -4 1 13 136.728 6.14943 2 3 -1 -13 1055.56 40.8517 3 2 -1 -13 953.707 37.2178 3 1 -1 -13 355.622 15.0932 3 0 -1 -13 152.403 7.59151 3 -1 -1 -13 622.688 25.2863 3 -2 -1 -13 25.7492 2.86062 3 -3 -1 -13 15.9618 2.24555 3 -9 2 13 34.7207 3.20377 2 -8 2 13 149.507 6.96660 2 -7 2 13 17.4843 2.06329 2 -6 2 13 30.0970 2.46812 2 -5 2 13 98.7765 4.86664 2 4 -2 -13 -0.4694 0.75434 3 -4 2 13 0.05403 0.71015 2 3 -2 -13 5.68707 1.31808 3 2 -2 -13 302.132 13.0510 3 1 -2 -13 4.24002 1.25340 3 0 -2 -13 49.7229 3.69043 3 -1 -2 -13 132.826 7.06995 3 -2 -2 -13 6.66446 1.58590 3 -8 3 13 76.4732 4.59817 2 -7 3 13 127.127 6.16885 2 -6 3 13 354.049 13.8910 2 -5 3 13 354.284 13.7979 2 4 -3 -13 -0.5058 0.82668 3 -4 3 13 0.03497 0.79222 2 3 -3 -13 2.55944 1.01465 3 2 -3 -13 3.47869 1.21108 3 1 -3 -13 91.7211 5.31930 3 0 -3 -13 127.399 6.87031 3 -1 -3 -13 345.820 15.2079 3 -7 4 13 71.0316 4.39929 2 -6 4 13 68.3022 4.15901 2 -5 4 13 1.31161 1.17887 2 4 -4 -13 1.41389 1.01216 3 -4 4 13 2.79752 1.18582 2 3 -4 -13 503.946 20.7452 3 2 -4 -13 1.54772 1.04817 3 1 -4 -13 7.64918 1.72738 3 0 -4 -13 69.9122 4.85039 3 -5 5 13 35.0601 3.03892 2 4 -5 -13 181.488 8.82568 3 -4 5 13 189.734 8.33130 2 3 -5 -13 295.803 13.1459 3 1 11 -14 23.8731 3.04908 3 -4 -10 14 6.88033 1.72117 1 -3 -10 14 118.797 6.33807 1 -2 -10 14 794.107 30.1023 1 1 10 -14 84.4063 5.19703 3 -1 -10 14 84.8776 5.16760 1 0 10 -14 500.928 21.0163 3 0 -10 14 503.289 19.8657 1 -4 -9 14 323.446 13.5943 1 -3 -9 14 544.477 21.2876 1 -2 -9 14 61.3946 4.15544 1 1 9 -14 6.35307 1.49333 3 -1 -9 14 8.52595 1.75081 1 0 9 -14 897.224 35.7603 3 0 -9 14 905.809 33.7438 1 -1 9 -14 0.91312 1.17652 3 1 -9 14 0.17171 0.96936 1 -2 9 -14 17.8397 2.59951 3 2 -9 14 21.5799 2.56123 1 6 8 -14 35.8194 3.22491 1 -4 -8 14 128.564 6.54055 1 -3 -8 14 134.513 6.72698 1 2 8 -14 11.5251 1.77155 3 -2 -8 14 11.8620 1.77970 1 1 8 -14 2.79242 1.17492 3 -1 -8 14 1.98064 1.08646 1 0 8 -14 62.7045 4.42559 3 0 -8 14 75.9855 4.35171 1 -1 8 -14 24.1302 2.86845 3 1 -8 14 22.2047 2.51283 1 -2 8 -14 0.68932 1.12846 3 2 -8 14 2.52665 1.21893 1 7 7 -14 837.740 31.5877 1 6 7 -14 0.36351 0.98692 1 -5 -7 14 0.74930 0.97509 1 -4 -7 14 22.3909 2.45193 1 -3 -7 14 0.79013 0.89878 1 2 7 -14 347.313 14.8419 3 -2 -7 14 355.897 14.2902 1 1 7 -14 61.8802 4.00730 3 -1 -7 14 59.3535 3.85913 1 0 7 -14 167.813 8.41948 3 0 -7 14 182.947 8.11107 1 -1 7 -14 50.3163 3.79785 3 1 -7 14 50.9201 3.52995 1 -2 7 -14 14.8819 2.24587 3 2 -7 14 18.3227 2.27478 1 -3 7 -14 85.6769 5.55480 3 3 -7 14 89.6661 5.15012 1 -9 -6 14 0.36010 1.00623 2 8 6 -14 6.39268 1.58488 1 7 6 -14 212.164 9.52404 1 6 6 -14 39.6257 3.20718 1 -5 -6 14 34.1525 3.00162 1 -4 -6 14 1830.55 66.1268 1 -3 -6 14 161.523 7.53955 1 2 6 -14 4.11820 1.15672 3 -2 -6 14 5.84481 1.33266 1 1 6 -14 2.06637 0.93986 3 -1 -6 14 1.57068 0.93323 1 0 6 -14 162.806 8.06079 3 0 -6 14 173.452 7.77757 1 -1 6 -14 38.3727 3.09946 3 1 -6 14 34.9125 2.85478 1 -2 6 -14 55.1654 3.90029 3 2 -6 14 50.2641 3.57967 1 -3 6 -14 1.77085 1.22617 3 3 -6 14 2.85795 1.20727 1 -9 -5 14 41.4652 2.96860 2 8 5 -14 105.095 5.79594 1 7 5 -14 430.027 17.1181 1 6 5 -14 57.2011 3.78889 1 -5 -5 14 380.402 15.2884 1 -4 -5 14 61.3500 3.87490 1 -3 -5 14 479.216 18.6523 1 2 5 -14 311.833 13.1108 3 -2 -5 14 303.030 12.5520 1 1 5 -14 110.732 5.77478 3 -1 -5 14 109.588 5.55172 1 0 5 -14 93.4427 5.43331 3 0 -5 14 108.435 5.33465 1 -1 5 -14 40.3911 3.21665 3 1 -5 14 41.7494 3.08243 1 -2 5 -14 43.6736 3.40003 3 2 -5 14 34.3411 2.98107 1 -3 5 -14 28.5821 2.95709 3 3 -5 14 28.7320 2.75454 1 -4 5 -14 89.0051 5.61589 3 4 -5 14 81.3357 4.90870 1 -9 -4 14 12.8112 1.77779 2 8 4 -14 27.8544 2.70038 1 -8 -4 14 28.4886 2.36560 2 7 4 -14 43.0187 3.22272 1 6 4 -14 373.243 14.9983 1 -5 -4 14 136.569 6.57809 1 -4 -4 14 1.72034 1.03423 1 -3 -4 14 90.7363 4.89006 1 2 4 -14 245.879 10.7517 3 -2 -4 14 245.516 10.3483 1 1 4 -14 286.680 12.3494 3 -1 -4 14 281.681 11.6866 1 0 4 -14 1019.80 39.0413 3 0 -4 14 972.409 36.6382 1 -1 4 -14 8.53502 1.60162 3 1 -4 14 9.07008 1.63471 1 -2 4 -14 370.711 16.6218 3 2 -4 14 412.386 15.7500 1 -3 4 -14 579.322 24.7126 3 3 -4 14 630.167 23.2981 1 -4 4 -14 9.14450 1.89276 3 4 -4 14 7.53586 1.62043 1 9 3 -14 180.885 8.58105 1 -9 -3 14 191.839 8.10921 2 8 3 -14 33.1329 2.77223 1 -8 -3 14 29.6782 2.43399 2 7 3 -14 21.8418 2.30902 1 6 3 -14 3.58903 1.10665 1 -5 -3 14 116.121 5.78090 1 -4 -3 14 0.72743 0.92036 1 3 3 -14 78.2086 4.22575 3 -3 -3 14 70.3225 4.20350 1 2 3 -14 437.549 17.6977 3 -2 -3 14 428.073 16.8611 1 1 3 -14 1857.00 70.0978 3 -1 -3 14 1817.91 66.0276 1 0 3 -14 63.2417 4.03510 3 0 -3 14 56.0184 3.65556 1 -1 3 -14 39.5861 3.17545 3 1 -3 14 40.9759 2.97087 1 -2 3 -14 380.086 15.9657 3 2 -3 14 365.547 14.8738 1 -3 3 -14 59.2415 4.27950 3 3 -3 14 67.3821 4.04114 1 -4 3 -14 4.10314 1.40856 3 4 -3 14 3.82239 1.22912 1 9 2 -14 33.1068 2.86275 1 -9 -2 14 30.2014 2.64988 2 8 2 -14 70.6498 4.30665 1 -8 -2 14 75.9315 4.11173 2 7 2 -14 345.844 13.6615 1 -7 -2 14 328.659 12.9278 2 6 2 -14 0.29577 0.75663 1 -4 -2 14 -0.3337 0.69403 1 3 2 -14 18.2974 2.01712 3 -3 -2 14 18.5833 2.06892 1 2 2 -14 93.2611 5.03113 3 -2 -2 14 90.7126 4.74459 1 1 2 -14 933.031 36.3210 3 -1 -2 14 924.600 34.1706 1 0 2 -14 14.7223 2.05435 3 0 -2 14 18.3579 2.00424 1 -1 2 -14 43.2195 3.35333 3 1 -2 14 41.1092 2.93438 1 -2 2 -14 549.740 22.6456 3 2 -2 14 552.905 21.1243 1 -3 2 -14 79.8388 5.08129 3 3 -2 14 83.9942 4.65636 1 4 -2 14 3.16247 1.17662 1 9 1 -14 191.791 8.83454 1 -9 -1 14 207.198 8.70459 2 8 1 -14 827.112 30.6363 1 -8 -1 14 815.396 29.5953 2 7 1 -14 124.276 5.85627 1 -7 -1 14 112.589 5.43133 2 6 1 -14 4.17989 1.05968 1 5 1 -14 19.8744 2.00034 1 -4 -1 14 144.260 6.62465 1 3 1 -14 20.6018 2.17366 3 -3 -1 14 23.0501 2.13144 1 2 1 -14 -0.8989 0.83471 3 -2 -1 14 -0.0680 0.65250 1 1 1 -14 3.91918 1.30416 3 -1 -1 14 6.11859 1.22429 1 0 1 -14 187.350 8.83441 3 0 -1 14 184.212 8.07713 1 -1 1 -14 4.51441 1.39958 3 1 -1 14 5.18986 1.18730 1 -2 1 -14 567.924 23.2178 3 2 -1 14 559.094 21.4662 1 -3 1 -14 56.9668 4.29072 3 3 -1 14 54.6281 3.63605 1 9 0 -14 75.5526 4.37675 1 -9 0 14 75.4951 4.37065 2 8 0 -14 168.889 7.64305 1 -8 0 14 170.246 7.52472 2 7 0 -14 2.75901 0.94447 1 -7 0 14 1.37759 0.86665 2 6 0 -14 190.936 8.22703 1 -6 0 14 191.446 7.98087 2 5 0 -14 540.903 20.4597 1 -4 0 14 110.732 5.34079 1 3 0 -14 3.41976 1.12812 3 -3 0 14 3.39457 1.05139 1 2 0 -14 410.434 17.0790 3 1 0 -14 59.3203 3.97009 3 0 0 -14 9.80404 1.75175 3 -1 0 -14 10.9652 1.82801 3 -2 0 -14 6.86587 1.64939 3 -8 1 14 84.4147 4.59719 2 -7 1 14 3.69685 1.19366 2 -6 1 14 43.4599 2.94413 2 3 -1 -14 173.732 8.16240 3 2 -1 -14 251.953 11.2429 3 1 -1 -14 135.337 6.96303 3 0 -1 -14 112.331 6.21030 3 -1 -1 -14 100.664 5.88003 3 -2 -1 -14 71.5037 4.90385 3 -8 2 14 1.08435 1.14669 2 -7 2 14 41.3690 3.09939 2 -6 2 14 0.13175 0.84317 2 3 -2 -14 124.556 6.47603 3 2 -2 -14 111.495 6.03350 3 1 -2 -14 74.7882 4.76314 3 0 -2 -14 12.2670 2.04644 3 -1 -2 -14 338.270 15.3832 3 -7 3 14 87.2849 4.82629 2 -6 3 14 190.481 8.41778 2 3 -3 -14 346.871 14.9276 3 2 -3 -14 191.805 9.26038 3 1 -3 -14 212.729 10.2353 3 -5 4 14 643.747 24.2394 2 3 -4 -14 0.62939 1.12035 3 1 10 -15 7.66245 1.74342 3 -3 -9 15 10.6428 1.91212 1 -2 -9 15 579.327 22.6355 1 1 9 -15 15.1495 2.21772 3 -1 -9 15 17.3393 2.40432 1 0 9 -15 36.0521 3.42788 3 -4 -8 15 33.7873 3.19723 1 -3 -8 15 59.7763 4.11666 1 -2 -8 15 59.4382 4.08262 1 1 8 -15 1.43829 1.16475 3 -1 -8 15 0.73402 1.18535 1 0 8 -15 105.423 6.35977 3 0 -8 15 124.854 6.31886 1 -1 8 -15 763.718 31.2449 3 1 -8 15 784.568 29.8542 1 6 7 -15 137.259 7.04733 1 -5 -7 15 -0.5278 0.95447 1 -4 -7 15 5.07383 1.49050 1 -3 -7 15 0.61271 1.08979 1 -2 -7 15 591.381 22.8791 1 1 7 -15 9.69510 1.67878 3 -1 -7 15 7.99718 1.68139 1 0 7 -15 353.975 15.6539 3 0 -7 15 375.343 14.9330 1 -1 7 -15 265.594 12.2070 3 1 -7 15 268.721 11.5482 1 -2 7 -15 76.9747 5.09261 3 6 6 -15 397.993 16.1855 1 -5 -6 15 27.3238 2.79544 1 -4 -6 15 27.9195 2.74779 1 -3 -6 15 11.1206 1.80264 1 2 6 -15 109.753 5.94014 3 -2 -6 15 117.564 5.93605 1 1 6 -15 233.409 10.7181 3 -1 -6 15 240.432 10.3213 1 0 6 -15 41.9432 3.49541 3 0 -6 15 46.9969 3.34499 1 -1 6 -15 1.75560 1.17626 3 1 -6 15 4.80302 1.31768 1 -2 6 -15 21.5535 2.67319 3 2 -6 15 23.6924 2.54482 1 7 5 -15 609.249 23.5234 1 6 5 -15 283.629 12.0678 1 -5 -5 15 147.153 7.18950 1 -4 -5 15 221.486 9.78807 1 -3 -5 15 163.694 7.67392 1 2 5 -15 2.56882 1.09067 3 -2 -5 15 4.04012 1.20310 1 1 5 -15 12.2447 1.84364 3 -1 -5 15 8.35657 1.52005 1 0 5 -15 27.4846 2.83396 3 0 -5 15 29.8255 2.68223 1 -1 5 -15 43.1415 3.50557 3 1 -5 15 39.6068 3.19031 1 -2 5 -15 15.1026 2.18956 3 2 -5 15 15.3083 2.12156 1 7 4 -15 10.3641 1.75093 1 6 4 -15 40.7936 3.18160 1 -5 -4 15 -1.3264 0.87635 1 -4 -4 15 754.436 28.4467 1 -3 -4 15 757.776 28.5157 1 2 4 -15 161.303 7.64064 3 -2 -4 15 156.540 7.45228 1 1 4 -15 251.663 11.3241 3 -1 -4 15 258.961 10.8770 1 0 4 -15 228.188 10.5235 3 0 -4 15 232.650 10.0019 1 -1 4 -15 4.10354 1.27525 3 1 -4 15 4.39261 1.27789 1 -2 4 -15 0.59032 0.96612 3 2 -4 15 -0.6078 0.82256 1 3 -4 15 80.2087 5.07053 1 8 3 -15 34.9307 2.94234 1 7 3 -15 232.865 10.1040 1 6 3 -15 4.59147 1.25275 1 -5 -3 15 0.81562 1.10336 1 -4 -3 15 300.355 12.4492 1 -3 -3 15 943.905 34.9689 1 2 3 -15 5.10353 1.25723 3 -2 -3 15 5.89993 1.37384 1 1 3 -15 82.9744 4.80402 3 -1 -3 15 80.3339 4.59954 1 0 3 -15 134.043 6.96897 3 0 -3 15 140.133 6.61869 1 -1 3 -15 119.595 6.47512 3 1 -3 15 123.080 6.11733 1 -2 3 -15 25.5883 2.78736 3 2 -3 15 28.3798 2.63312 1 3 -3 15 1.54912 1.01992 1 -9 -2 15 53.4129 3.53737 2 8 2 -15 200.866 9.02740 1 7 2 -15 21.8397 2.31925 1 6 2 -15 108.358 5.52143 1 -4 -2 15 37.4202 2.89746 1 -3 -2 15 38.8519 2.91919 1 2 2 -15 63.5921 4.09048 3 -2 -2 15 62.5993 3.82415 1 1 2 -15 22.7519 2.59237 3 -1 -2 15 25.5737 2.42089 1 0 2 -15 407.012 17.3645 3 0 -2 15 415.355 16.2273 1 -1 2 -15 0.30980 0.88301 3 1 -2 15 0.91720 1.00917 1 -2 2 -15 143.262 7.60304 3 2 -2 15 148.583 7.02211 1 3 -2 15 357.793 14.5574 1 8 1 -15 110.007 5.67585 1 7 1 -15 8.34221 1.45355 1 6 1 -15 135.459 6.40179 1 5 1 -15 0.19377 0.70247 1 -4 -1 15 7.88014 1.44997 1 3 1 -15 83.7059 4.81098 3 -3 -1 15 86.3129 4.61166 1 2 1 -15 103.453 5.68527 3 -2 -1 15 105.079 5.29306 1 1 1 -15 1.72204 1.07570 3 -1 -1 15 1.90260 0.98277 1 0 1 -15 214.610 10.2603 3 0 -1 15 227.417 9.53842 1 -1 1 -15 2.56115 1.30801 3 -8 0 15 14.1863 1.86815 2 3 0 -15 3.40703 1.13283 3 2 0 -15 2.67661 1.12957 3 1 0 -15 9.65103 1.77202 3 0 0 -15 2.39247 1.27258 3 -1 0 -15 89.3367 5.59092 3 3 -1 -15 27.1585 2.67242 3 2 -1 -15 101.900 5.78748 3 1 -1 -15 239.852 11.1378 3 0 -1 -15 0.84866 1.08092 3 3 -2 -15 115.161 6.32488 3 2 -2 -15 282.683 12.7257 3 1 8 -16 312.804 13.8220 3 -3 -7 16 409.063 16.8103 1 -2 -7 16 105.216 5.94329 1 1 7 -16 6.41508 1.62204 3 0 7 -16 0.27838 1.08953 3 -5 -6 16 23.7546 2.87307 1 -4 -6 16 48.8073 3.67625 1 -3 -6 16 62.1726 4.18101 1 -2 -6 16 267.294 11.5494 1 1 6 -16 2.39213 1.19305 3 -1 -6 16 3.75927 1.30211 1 0 6 -16 -1.2855 0.83551 3 0 -6 16 -0.4389 0.96756 1 -5 -5 16 98.0991 5.49980 1 -4 -5 16 35.0264 3.08236 1 -3 -5 16 63.7383 4.21934 1 -2 -5 16 93.9060 5.24446 1 1 5 -16 174.739 8.41861 3 -1 -5 16 167.995 8.06178 1 0 5 -16 18.4188 2.45944 3 0 -5 16 18.0989 2.29177 1 -1 5 -16 99.5250 5.96410 3 6 4 -16 257.595 11.1500 1 -5 -4 16 29.4828 2.87265 1 -4 -4 16 35.3304 3.17979 1 -3 -4 16 1183.69 43.6165 1 2 4 -16 61.7944 4.01223 3 -2 -4 16 61.4748 4.03925 1 1 4 -16 40.1205 3.24891 3 -1 -4 16 40.7658 3.18127 1 0 4 -16 3.69613 1.32554 3 0 -4 16 4.54553 1.32722 1 -1 4 -16 67.0516 4.68600 3 1 -4 16 74.2887 4.51970 1 7 3 -16 72.2969 4.66968 1 6 3 -16 627.448 24.0527 1 -4 -3 16 168.496 7.91939 1 -3 -3 16 279.665 11.8201 1 2 3 -16 60.6573 4.03710 3 -2 -3 16 57.1194 3.78683 1 1 3 -16 0.10399 0.89713 3 -1 -3 16 -0.0905 0.94935 1 0 3 -16 225.533 10.4647 3 0 -3 16 221.403 9.80881 1 1 -3 16 9.65777 1.72222 1 7 2 -16 130.168 6.48689 1 6 2 -16 11.2369 1.73355 1 -4 -2 16 104.022 5.53969 1 -3 -2 16 55.4553 3.72264 1 2 2 -16 18.6980 2.39916 3 -2 -2 16 18.3658 2.30602 1 1 2 -16 198.426 9.43233 3 -1 -2 16 196.390 8.84886 1 0 2 -16 271.158 12.2062 3 0 -2 16 260.192 11.2594 1 1 -2 16 504.458 19.7333 1 7 1 -16 305.084 12.6354 1 6 1 -16 122.958 6.07124 1 5 1 -16 28.9035 2.68693 1 -4 -1 16 134.295 6.95907 1 2 1 -16 306.419 13.5035 3 1 1 -16 254.683 11.7326 3 2 0 -16 46.5556 3.64690 3 1 0 -16 3.42431 1.53610 3 1 6 -17 288.747 13.3113 3 1 5 -17 84.1889 5.23676 3 1 4 -17 11.7372 2.00513 3 -4 -3 17 1.64808 1.21878 1 -3 -3 17 126.180 6.53624 1 -2 -3 17 41.5183 3.55080 1 5 2 -17 23.0883 2.62131 1 -4 -2 17 29.4998 2.93905 1 -3 -2 17 327.062 13.5935 1 2 2 -17 91.2173 5.42369 3 -2 -2 17 84.1558 5.04095 1 0 0 0 0.00 0.00 0 ; _shelx_hkl_checksum 56449 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 S1 S -0.41568(3) 0.29916(3) 0.15848(2) 0.01286(7) Uani 1 1 d . . . O1 O -0.46048(10) 0.39971(11) 0.25816(8) 0.01871(17) Uani 1 1 d . . . S2 S 0.15909(3) 0.27877(3) 0.43810(2) 0.01354(7) Uani 1 1 d . . . O2 O -0.51634(10) 0.16760(10) 0.07594(9) 0.01989(18) Uani 1 1 d . . . S3 S 0.23837(3) 0.09608(3) 0.60558(2) 0.01361(7) Uani 1 1 d . . . S4 S 0.13780(3) -0.20992(3) 0.38519(2) 0.01299(7) Uani 1 1 d . . . S5 S 0.06568(3) -0.04026(3) 0.20833(2) 0.01376(7) Uani 1 1 d . . . N1 N -0.25808(11) 0.23134(11) 0.22118(9) 0.01315(17) Uani 1 1 d . . . C1 C -0.21374(14) 0.56603(15) -0.04283(11) 0.0193(2) Uani 1 1 d . . . C2 C -0.24854(15) 0.63989(14) 0.06632(12) 0.0202(2) Uani 1 1 d . . . H2 H -0.2280 0.7473 0.0992 0.024 Uiso 1 1 calc R U . C3 C -0.31294(14) 0.55905(13) 0.12824(10) 0.0161(2) Uani 1 1 d . . . H3 H -0.3355 0.6102 0.2031 0.019 Uiso 1 1 calc R U . C4 C -0.34347(12) 0.40266(12) 0.07853(10) 0.01212(19) Uani 1 1 d . . . C5 C -0.31119(16) 0.32524(14) -0.03121(11) 0.0205(2) Uani 1 1 d . . . H5 H -0.3332 0.2179 -0.0645 0.025 Uiso 1 1 calc R U . C6 C -0.24629(17) 0.40823(16) -0.09055(12) 0.0235(3) Uani 1 1 d . . . H6 H -0.2234 0.3568 -0.1652 0.028 Uiso 1 1 calc R U . C7 C -0.14322(17) 0.6532(2) -0.10961(15) 0.0312(3) Uani 1 1 d . . . H7A H -0.1351 0.7623 -0.0670 0.047 Uiso 0.67(2) 1 calc R U P H7B H -0.2087 0.6294 -0.1926 0.047 Uiso 0.67(2) 1 calc R U P H7C H -0.0400 0.6248 -0.1126 0.047 Uiso 0.67(2) 1 calc R U P H7D H -0.1208 0.5820 -0.1812 0.047 Uiso 0.33(2) 1 calc R U P H7E H -0.0472 0.7149 -0.0556 0.047 Uiso 0.33(2) 1 calc R U P H7F H -0.2159 0.7195 -0.1355 0.047 Uiso 0.33(2) 1 calc R U P C8 C -0.14284(13) 0.31769(13) 0.32271(10) 0.01322(19) Uani 1 1 d . . . H8 H -0.1488 0.4141 0.3773 0.016 Uiso 1 1 calc R U . C9 C -0.01909(12) 0.23701(12) 0.32884(10) 0.01207(19) Uani 1 1 d . . . C10 C 0.17129(12) 0.09729(12) 0.45575(10) 0.01181(19) Uani 1 1 d . . . C11 C 0.36046(12) -0.05043(13) 0.58854(10) 0.01341(19) Uani 1 1 d . . . C12 C 0.31812(12) -0.18040(13) 0.49554(10) 0.01342(19) Uani 1 1 d . . . C13 C 0.13062(12) -0.03288(12) 0.36187(10) 0.01193(19) Uani 1 1 d . . . C14 C -0.05923(13) 0.09884(12) 0.22853(10) 0.01227(19) Uani 1 1 d . . . C15 C -0.20700(13) 0.09720(12) 0.16261(10) 0.01324(19) Uani 1 1 d . . . H15 H -0.2635 0.0196 0.0909 0.016 Uiso 1 1 calc R U . C16 C 0.50792(13) -0.01032(15) 0.68857(11) 0.0173(2) Uani 1 1 d . . . H16A H 0.4835 0.0216 0.7677 0.026 Uiso 1 1 calc R U . H16B H 0.5724 0.0727 0.6815 0.026 Uiso 1 1 calc R U . H16C H 0.5639 -0.0991 0.6817 0.026 Uiso 1 1 calc R U . C17 C 0.40921(14) -0.31340(14) 0.47046(12) 0.0189(2) Uani 1 1 d . . . H17A H 0.4905 -0.3048 0.5438 0.028 Uiso 1 1 calc R U . H17B H 0.4562 -0.3138 0.4040 0.028 Uiso 1 1 calc R U . H17C H 0.3400 -0.4080 0.4473 0.028 Uiso 1 1 calc R U . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 S1 0.01109(12) 0.01380(13) 0.01524(13) 0.00724(10) 0.00272(9) 0.00278(9) O1 0.0185(4) 0.0243(4) 0.0190(4) 0.0107(3) 0.0095(3) 0.0090(3) S2 0.01163(12) 0.01146(12) 0.01539(13) 0.00356(9) 0.00078(9) -0.00031(9) O2 0.0149(4) 0.0169(4) 0.0257(4) 0.0096(3) -0.0020(3) -0.0013(3) S3 0.01294(12) 0.01698(13) 0.01055(12) 0.00342(9) 0.00333(9) 0.00366(10) S4 0.01217(12) 0.01191(12) 0.01474(13) 0.00408(9) 0.00337(9) 0.00204(9) S5 0.01441(13) 0.01542(13) 0.01076(12) 0.00284(9) 0.00309(9) 0.00519(10) N1 0.0127(4) 0.0125(4) 0.0138(4) 0.0053(3) 0.0009(3) 0.0031(3) C1 0.0144(5) 0.0282(6) 0.0194(5) 0.0144(5) 0.0033(4) 0.0022(4) C2 0.0237(6) 0.0163(5) 0.0202(5) 0.0079(4) 0.0031(4) -0.0021(4) C3 0.0211(5) 0.0128(5) 0.0139(5) 0.0035(4) 0.0047(4) 0.0018(4) C4 0.0128(4) 0.0128(4) 0.0115(4) 0.0054(4) 0.0025(4) 0.0025(4) C5 0.0303(6) 0.0165(5) 0.0149(5) 0.0030(4) 0.0085(5) 0.0056(5) C6 0.0301(7) 0.0284(6) 0.0168(5) 0.0085(5) 0.0126(5) 0.0098(5) C7 0.0240(6) 0.0469(9) 0.0320(7) 0.0259(7) 0.0083(5) -0.0011(6) C8 0.0140(5) 0.0126(4) 0.0126(4) 0.0045(4) 0.0019(4) 0.0016(4) C9 0.0118(4) 0.0123(4) 0.0121(4) 0.0045(4) 0.0024(3) 0.0007(4) C10 0.0098(4) 0.0136(5) 0.0126(4) 0.0048(4) 0.0030(3) 0.0024(3) C11 0.0098(4) 0.0188(5) 0.0144(5) 0.0083(4) 0.0043(4) 0.0030(4) C12 0.0113(4) 0.0169(5) 0.0156(5) 0.0087(4) 0.0053(4) 0.0039(4) C13 0.0104(4) 0.0137(5) 0.0126(4) 0.0050(4) 0.0033(3) 0.0033(4) C14 0.0131(5) 0.0120(4) 0.0123(4) 0.0047(4) 0.0034(4) 0.0024(4) C15 0.0146(5) 0.0115(4) 0.0138(5) 0.0052(4) 0.0024(4) 0.0022(4) C16 0.0117(5) 0.0241(6) 0.0170(5) 0.0099(4) 0.0013(4) 0.0010(4) C17 0.0177(5) 0.0189(5) 0.0234(6) 0.0097(4) 0.0068(4) 0.0082(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 '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 O1 S1 O2 121.47(6) O1 S1 N1 105.66(5) O2 S1 N1 104.79(5) O1 S1 C4 109.84(6) O2 S1 C4 110.36(6) N1 S1 C4 102.85(5) C9 S2 C10 98.25(5) C10 S3 C11 102.18(5) C13 S4 C12 101.98(5) C14 S5 C13 98.01(5) C8 N1 C15 110.27(9) C8 N1 S1 123.94(8) C15 N1 S1 123.98(8) C2 C1 C6 118.66(11) C2 C1 C7 121.22(13) C6 C1 C7 120.11(12) C1 C2 C3 121.14(11) C1 C2 H2 119.4 C3 C2 H2 119.4 C4 C3 C2 118.71(11) C4 C3 H3 120.6 C2 C3 H3 120.6 C3 C4 C5 121.59(11) C3 C4 S1 119.22(8) C5 C4 S1 119.12(9) C6 C5 C4 118.54(11) C6 C5 H5 120.7 C4 C5 H5 120.7 C5 C6 C1 121.35(11) C5 C6 H6 119.3 C1 C6 H6 119.3 C1 C7 H7A 109.5 C1 C7 H7B 109.5 H7A C7 H7B 109.5 C1 C7 H7C 109.5 H7A C7 H7C 109.5 H7B C7 H7C 109.5 C1 C7 H7D 109.5 H7A C7 H7D 141.1 H7B C7 H7D 56.3 H7C C7 H7D 56.3 C1 C7 H7E 109.5 H7A C7 H7E 56.3 H7B C7 H7E 141.1 H7C C7 H7E 56.3 H7D C7 H7E 109.5 C1 C7 H7F 109.5 H7A C7 H7F 56.3 H7B C7 H7F 56.3 H7C C7 H7F 141.1 H7D C7 H7F 109.5 H7E C7 H7F 109.5 C9 C8 N1 106.84(10) C9 C8 H8 126.6 N1 C8 H8 126.6 C8 C9 C14 108.04(10) C8 C9 S2 129.77(9) C14 C9 S2 122.14(8) C13 C10 S3 121.06(9) C13 C10 S2 123.21(9) S3 C10 S2 115.72(6) C12 C11 C16 126.22(11) C12 C11 S3 121.12(9) C16 C11 S3 112.65(8) C11 C12 C17 126.68(11) C11 C12 S4 120.36(9) C17 C12 S4 112.96(9) C10 C13 S4 121.29(9) C10 C13 S5 123.54(9) S4 C13 S5 115.17(6) C15 C14 C9 108.20(10) C15 C14 S5 129.65(9) C9 C14 S5 122.06(8) C14 C15 N1 106.64(10) C14 C15 H15 126.7 N1 C15 H15 126.7 C11 C16 H16A 109.5 C11 C16 H16B 109.5 H16A C16 H16B 109.5 C11 C16 H16C 109.5 H16A C16 H16C 109.5 H16B C16 H16C 109.5 C12 C17 H17A 109.5 C12 C17 H17B 109.5 H17A C17 H17B 109.5 C12 C17 H17C 109.5 H17A C17 H17C 109.5 H17B C17 H17C 109.5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance S1 O1 1.4280(9) S1 O2 1.4295(9) S1 N1 1.6840(10) S1 C4 1.7447(11) S2 C9 1.7532(11) S2 C10 1.7719(12) S3 C10 1.7532(11) S3 C11 1.7836(12) S4 C13 1.7561(12) S4 C12 1.7822(12) S5 C14 1.7512(11) S5 C13 1.7684(11) N1 C8 1.3916(14) N1 C15 1.3916(14) C1 C2 1.3914(18) C1 C6 1.396(2) C1 C7 1.5076(18) C2 C3 1.3931(17) C2 H2 0.9500 C3 C4 1.3847(16) C3 H3 0.9500 C4 C5 1.3947(15) C5 C6 1.3851(18) C5 H5 0.9500 C6 H6 0.9500 C7 H7A 0.9800 C7 H7B 0.9800 C7 H7C 0.9800 C7 H7D 0.9800 C7 H7E 0.9800 C7 H7F 0.9800 C8 C9 1.3697(15) C8 H8 0.9500 C9 C14 1.4309(15) C10 C13 1.3450(15) C11 C12 1.3393(16) C11 C16 1.5052(15) C12 C17 1.5094(16) C14 C15 1.3720(15) C15 H15 0.9500 C16 H16A 0.9800 C16 H16B 0.9800 C16 H16C 0.9800 C17 H17A 0.9800 C17 H17B 0.9800 C17 H17C 0.9800 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 O1 S1 N1 C8 -38.29(10) O2 S1 N1 C8 -167.69(9) C4 S1 N1 C8 76.89(10) O1 S1 N1 C15 158.52(9) O2 S1 N1 C15 29.11(11) C4 S1 N1 C15 -86.31(10) C6 C1 C2 C3 0.73(19) C7 C1 C2 C3 -179.66(12) C1 C2 C3 C4 -0.60(19) C2 C3 C4 C5 0.05(18) C2 C3 C4 S1 177.03(9) O1 S1 C4 C3 10.95(11) O2 S1 C4 C3 147.49(9) N1 S1 C4 C3 -101.17(10) O1 S1 C4 C5 -172.00(9) O2 S1 C4 C5 -35.45(11) N1 S1 C4 C5 75.88(10) C3 C4 C5 C6 0.35(19) S1 C4 C5 C6 -176.63(10) C4 C5 C6 C1 -0.2(2) C2 C1 C6 C5 -0.3(2) C7 C1 C6 C5 -179.93(13) C15 N1 C8 C9 -0.57(12) S1 N1 C8 C9 -165.76(8) N1 C8 C9 C14 0.35(12) N1 C8 C9 S2 -177.12(8) C10 S2 C9 C8 135.09(11) C10 S2 C9 C14 -42.07(10) C11 S3 C10 C13 40.96(10) C11 S3 C10 S2 -139.82(6) C9 S2 C10 C13 41.20(11) C9 S2 C10 S3 -138.01(6) C10 S3 C11 C12 -42.03(10) C10 S3 C11 C16 138.72(8) C16 C11 C12 C17 -0.58(18) S3 C11 C12 C17 -179.72(9) C16 C11 C12 S4 179.50(9) S3 C11 C12 S4 0.36(13) C13 S4 C12 C11 41.93(10) C13 S4 C12 C17 -138.01(8) S3 C10 C13 S4 1.73(14) S2 C10 C13 S4 -177.43(6) S3 C10 C13 S5 -178.72(6) S2 C10 C13 S5 2.12(15) C12 S4 C13 C10 -43.49(10) C12 S4 C13 S5 136.93(6) C14 S5 C13 C10 -43.85(11) C14 S5 C13 S4 135.72(6) C8 C9 C14 C15 -0.01(13) S2 C9 C14 C15 177.69(8) C8 C9 C14 S5 -176.86(8) S2 C9 C14 S5 0.85(14) C13 S5 C14 C15 -134.64(11) C13 S5 C14 C9 41.47(10) C9 C14 C15 N1 -0.33(12) S5 C14 C15 N1 176.20(9) C8 N1 C15 C14 0.56(12) S1 N1 C15 C14 165.74(8)