#------------------------------------------------------------------------------ #$Date: 2012-02-03 17:16:24 +0000 (Fri, 03 Feb 2012) $ #$Revision: 32112 $ #$URL: svn://www.crystallography.net/cod/cif/2/10/40/2104069.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_2104069 loop_ _publ_author_name 'van Mechelen, Jan B.' 'Peschar, Rene' 'Schenk, Henk' _publ_section_title ; Structures of mono-unsaturated triacylglycerols. IV. The highest melting \b'-2 polymorphs of trans-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability ; _journal_coeditor_code DR5019 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 249 _journal_page_last 259 _journal_volume 64 _journal_year 2008 _chemical_formula_moiety 'C53 H100 O6' _chemical_formula_structural 'C53 H100 O6' _chemical_formula_sum 'C53 H100 O6' _chemical_formula_weight 833.38 _chemical_melting_point 319 _chemical_name_common '[2_3]\b~1~'-2 PPE' _chemical_name_systematic 1,2-dipalmitoyl-3-elaidoylglycerol _space_group_IT_number 5 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall 'I 2y' _symmetry_space_group_name_H-M 'I 1 2 1' _audit_creation_method 'from EXP file using GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 93.523(12) _cell_angle_gamma 90.0 _cell_formula_units_Z 8 _cell_length_a 22.9880(14) _cell_length_b 5.6407(5) _cell_length_c 86.265(7) _cell_measurement_temperature 298 _cell_volume 11164.7(15) _computing_structure_refinement GSAS _diffrn_ambient_temperature 297 _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54059 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_crystal_colour white _exptl_crystal_density_diffrn 0.992 _exptl_crystal_description 'solid fat' _refine_ls_extinction_method none _refine_ls_goodness_of_fit_all 3.40 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 985 _refine_ls_number_restraints 1033 _refine_ls_shift/su_max 0.29 _refine_ls_shift/su_mean 0.01 _reflns_number_total 677 _[local]_cod_data_source_file dr5019.cif _[local]_cod_data_source_block EPP-BPR2-2_1-XPERT-E_publ _[local]_cod_cif_authors_sg_H-M 'I 2' _cod_depositor_comments ; The following automatic conversions were performed: '_geom_bond_publ_flag' value 'N' changed to 'n' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (632 times). '_geom_angle_publ_flag' value 'N' changed to 'n' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (612 times). Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius The following automatic conversions were performed: '_geom_bond_publ_flag' value 'N' changed to 'n' according to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (632 times). '_geom_angle_publ_flag' value 'N' changed to 'n' according to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (612 times). Automatic conversion script Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana ; _cod_original_cell_volume 11164.7(16) _cod_database_code 2104069 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x,+y,-z 101 +x+1/2,+y+1/2,+z+1/2 102 -x+1/2,+y+1/2,-z+1/2 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_thermal_displace_type _atom_site_occupancy O O1a1 0.82215(9) 0.150(7) 0.27411(3) 0.0253 Uiso 1.0 C C1a1 0.76770(7) 0.2254(2) 0.27509(4) 0.0253 Uiso 1.0 C C2a1 0.73035(10) 0.0364(3) 0.28161(2) 0.0253 Uiso 1.0 O O2a1 0.75106(17) 0.4211(3) 0.27163(9) 0.0253 Uiso 1.0 C C3a1 0.72542(12) 0.0762(3) 0.29891(2) 0.0253 Uiso 1.0 C C4a1 0.74081(12) -0.1502(3) 0.30780(2) 0.0253 Uiso 1.0 C C5a1 0.73586(12) -0.1103(3) 0.32509(2) 0.0253 Uiso 1.0 C C6a1 0.75079(12) -0.3372(3) 0.33398(2) 0.0253 Uiso 1.0 C C7a1 0.74582(12) -0.2972(3) 0.35128(2) 0.0253 Uiso 1.0 C C8a1 0.76122(12) -0.5231(3) 0.36022(2) 0.0253 Uiso 1.0 C C9a1 0.75488(14) -0.4837(3) 0.377226(19) 0.0253 Uiso 1.0 C C10a1 0.77421(12) -0.6277(4) 0.38846(2) 0.0253 Uiso 1.0 C C11a1 0.74994(9) -0.6404(3) 0.40419(2) 0.0253 Uiso 1.0 C C12a1 0.78463(9) -0.8152(3) 0.41449(2) 0.0253 Uiso 1.0 C C13a1 0.75865(9) -0.8295(3) 0.43026(2) 0.0253 Uiso 1.0 C C14a1 0.79327(9) -1.0020(3) 0.44076(2) 0.0253 Uiso 1.0 C C15a1 0.76720(9) -1.0144(3) 0.45653(2) 0.0253 Uiso 1.0 C C16a1 0.80202(9) -1.1853(3) 0.46710(2) 0.0253 Uiso 1.0 C C17a1 0.77592(9) -1.1980(3) 0.48285(2) 0.0253 Uiso 1.0 C C18a1 0.81060(6) -1.3702(3) 0.49336(3) 0.0253 Uiso 1.0 C C11 0.83500(8) 0.0171(3) 0.26019(2) 0.0253 Uiso 1.0 C C21 0.89530(7) -0.0853(3) 0.26198(2) 0.0253 Uiso 1.0 O O1b1 0.91380(18) -0.1058(3) 0.27843(2) 0.0253 Uiso 1.0 C C1b1 0.89763(10) -0.3003(3) 0.28576(2) 0.0253 Uiso 1.0 C C2b1 0.92838(10) -0.3195(3) 0.30156(2) 0.0253 Uiso 1.0 O O2b1 0.86260(14) -0.4409(4) 0.28047(5) 0.0253 Uiso 1.0 C C3b1 0.90805(10) -0.5405(3) 0.30975(2) 0.0253 Uiso 1.0 C C4b1 0.94060(10) -0.5663(3) 0.32554(2) 0.0253 Uiso 1.0 C C5b1 0.91074(10) -0.7509(3) 0.33515(2) 0.0253 Uiso 1.0 C C6b1 0.94335(10) -0.7781(3) 0.35091(2) 0.0253 Uiso 1.0 C C7b1 0.91328(9) -0.9611(3) 0.36060(2) 0.0253 Uiso 1.0 C C8b1 0.94617(10) -0.9868(3) 0.37635(2) 0.0253 Uiso 1.0 C C9b1 0.91669(9) -1.1692(3) 0.38620(2) 0.0253 Uiso 1.0 C C10b1 0.95040(10) -1.1925(3) 0.40185(2) 0.0253 Uiso 1.0 C C11b1 0.92185(10) -1.3748(3) 0.41191(2) 0.0253 Uiso 1.0 C C12b1 0.95618(10) -1.3943(3) 0.42750(2) 0.0253 Uiso 1.0 C C13b1 0.92843(10) -1.5760(3) 0.43777(2) 0.0253 Uiso 1.0 C C14b1 0.96323(10) -1.5930(3) 0.45331(2) 0.0253 Uiso 1.0 C C15b1 0.93575(10) -1.7738(3) 0.46370(2) 0.0253 Uiso 1.0 C C16b1 0.97070(8) -1.7900(3) 0.47921(2) 0.0253 Uiso 1.0 C C31 0.93694(9) 0.0690(3) 0.25383(3) 0.0253 Uiso 1.0 O O1c1 0.90475(11) 0.2288(4) 0.24310(2) 0.0253 Uiso 1.0 C C1c1 0.92331(9) 0.2471(3) 0.228846(19) 0.0253 Uiso 1.0 C C2c1 0.89430(9) 0.0668(3) 0.21819(2) 0.0253 Uiso 1.0 O O2c1 0.95782(14) 0.3917(4) 0.22495(5) 0.0253 Uiso 1.0 C C3c1 0.92445(10) 0.0579(3) 0.20300(2) 0.0253 Uiso 1.0 C C4c1 0.89887(10) -0.1409(3) 0.19283(2) 0.0253 Uiso 1.0 C C5c1 0.92144(10) -0.1245(3) 0.17667(2) 0.0253 Uiso 1.0 C C6c1 0.89572(10) -0.3236(3) 0.16654(2) 0.0253 Uiso 1.0 C C7c1 0.91831(10) -0.3088(3) 0.15038(2) 0.0253 Uiso 1.0 C C8c1 0.89251(10) -0.5085(3) 0.14032(2) 0.0253 Uiso 1.0 C C9c1 0.91490(10) -0.4949(3) 0.12413(2) 0.0253 Uiso 1.0 C C10c1 0.88890(10) -0.6951(3) 0.11415(2) 0.0253 Uiso 1.0 C C11c1 0.91121(10) -0.6827(3) 0.09795(2) 0.0253 Uiso 1.0 C C12c1 0.88506(10) -0.8831(3) 0.08801(2) 0.0253 Uiso 1.0 C C13c1 0.90711(10) -0.8707(3) 0.07178(2) 0.0253 Uiso 1.0 C C14c1 0.88094(10) -1.0712(3) 0.06184(2) 0.0253 Uiso 1.0 C C15c1 0.90292(10) -1.0586(3) 0.04560(2) 0.0253 Uiso 1.0 C C16c1 0.87710(12) -1.2600(3) 0.03568(3) 0.0253 Uiso 1.0 H H181a1 0.8100(4) -1.5309(5) 0.48847(8) 0.0507 Uiso 1.0 H H182a1 0.85180(19) -1.3137(5) 0.49490(10) 0.0507 Uiso 1.0 H H183a1 0.7929(3) -1.3790(5) 0.50365(5) 0.0507 Uiso 1.0 H H171a1 0.73457(19) -1.2532(5) 0.48147(10) 0.0507 Uiso 1.0 H H172a1 0.7770(4) -1.0370(5) 0.48772(8) 0.0507 Uiso 1.0 H H161a1 0.84328(19) -1.1292(5) 0.46850(10) 0.0507 Uiso 1.0 H H162a1 0.8012(4) -1.3466(5) 0.46228(8) 0.0507 Uiso 1.0 H H151a1 0.72593(19) -1.0704(5) 0.45515(10) 0.0507 Uiso 1.0 H H152a1 0.7681(4) -0.8531(5) 0.46135(8) 0.0507 Uiso 1.0 H H141a1 0.83464(19) -0.9472(5) 0.44214(10) 0.0507 Uiso 1.0 H H142a1 0.7921(4) -1.1630(5) 0.43589(8) 0.0507 Uiso 1.0 H H131a1 0.71734(19) -0.8849(5) 0.42885(10) 0.0507 Uiso 1.0 H H132a1 0.7596(4) -0.6688(5) 0.43516(8) 0.0507 Uiso 1.0 H H121a1 0.82604(19) -0.7610(5) 0.41586(10) 0.0507 Uiso 1.0 H H122a1 0.7832(4) -0.9753(5) 0.40950(8) 0.0507 Uiso 1.0 H H111a1 0.70836(19) -0.6929(5) 0.40303(10) 0.0507 Uiso 1.0 H H112a1 0.7520(4) -0.4798(5) 0.40910(8) 0.0507 Uiso 1.0 H H101a1 0.8007(3) -0.7590(5) 0.38557(8) 0.0507 Uiso 1.0 H H91a1 0.7291(3) -0.3504(5) 0.38017(8) 0.0507 Uiso 1.0 H H81a1 0.8024(2) -0.5686(5) 0.35851(9) 0.0507 Uiso 1.0 H H82a1 0.7345(3) -0.6535(5) 0.35645(9) 0.0507 Uiso 1.0 H H71a1 0.7050(2) -0.2498(5) 0.35321(9) 0.0507 Uiso 1.0 H H72a1 0.7731(3) -0.1678(5) 0.35489(9) 0.0507 Uiso 1.0 H H61a1 0.7916(2) -0.3857(5) 0.33205(9) 0.0507 Uiso 1.0 H H62a1 0.7232(3) -0.4654(5) 0.33033(9) 0.0507 Uiso 1.0 H H51a1 0.6951(2) -0.0615(5) 0.32703(9) 0.0507 Uiso 1.0 H H52a1 0.7635(3) 0.0179(5) 0.32874(9) 0.0507 Uiso 1.0 H H41a1 0.7816(2) -0.1976(5) 0.30586(9) 0.0507 Uiso 1.0 H H42a1 0.7134(3) -0.2793(5) 0.30417(9) 0.0507 Uiso 1.0 H H31a1 0.7528(3) 0.2053(5) 0.30254(9) 0.0507 Uiso 1.0 H H32a1 0.6846(2) 0.1236(5) 0.30085(9) 0.0507 Uiso 1.0 H H21a1 0.6906(2) 0.0417(5) 0.27622(8) 0.0507 Uiso 1.0 H H22a1 0.7482(3) -0.1224(5) 0.27992(10) 0.0507 Uiso 1.0 H H111 0.8061(2) -0.1143(5) 0.25852(10) 0.0507 Uiso 1.0 H H121 0.8322(4) 0.1257(5) 0.25101(6) 0.0507 Uiso 1.0 H H161b1 1.0116(2) -1.8395(5) 0.47745(9) 0.0507 Uiso 1.0 H H162b1 0.9712(4) -1.6317(5) 0.48444(8) 0.0507 Uiso 1.0 H H163b1 0.9524(3) -1.9095(5) 0.48595(7) 0.0507 Uiso 1.0 H H151b1 0.9352(4) -1.9324(5) 0.45853(8) 0.0507 Uiso 1.0 H H152b1 0.8949(2) -1.7243(5) 0.46550(9) 0.0507 Uiso 1.0 H H141b1 0.9639(4) -1.4345(5) 0.45851(8) 0.0507 Uiso 1.0 H H142b1 1.0041(2) -1.6426(5) 0.45154(9) 0.0507 Uiso 1.0 H H131b1 0.9279(4) -1.7342(5) 0.43254(8) 0.0507 Uiso 1.0 H H132b1 0.8876(2) -1.5265(5) 0.43953(9) 0.0507 Uiso 1.0 H H121b1 0.9568(4) -1.2363(5) 0.43277(8) 0.0507 Uiso 1.0 H H122b1 0.9970(2) -1.4439(5) 0.42577(9) 0.0507 Uiso 1.0 H H111b1 0.8810(2) -1.3245(5) 0.41359(9) 0.0507 Uiso 1.0 H H112b1 0.9213(4) -1.5324(5) 0.40659(8) 0.0507 Uiso 1.0 H H101b1 0.9912(2) -1.2432(5) 0.40019(9) 0.0507 Uiso 1.0 H H102b1 0.9512(4) -1.0354(5) 0.40723(8) 0.0507 Uiso 1.0 H H91b1 0.9158(4) -1.3259(5) 0.38078(8) 0.0507 Uiso 1.0 H H92b1 0.8759(2) -1.1171(5) 0.38781(9) 0.0507 Uiso 1.0 H H81b1 0.9469(4) -0.8303(5) 0.38181(8) 0.0507 Uiso 1.0 H H82b1 0.9870(2) -1.0386(5) 0.37482(9) 0.0507 Uiso 1.0 H H71b1 0.9125(4) -1.1172(5) 0.35511(8) 0.0507 Uiso 1.0 H H72b1 0.8724(2) -0.9087(5) 0.36210(10) 0.0507 Uiso 1.0 H H61b1 0.9442(4) -0.6221(5) 0.35643(8) 0.0507 Uiso 1.0 H H62b1 0.9842(2) -0.8306(5) 0.34943(10) 0.0507 Uiso 1.0 H H51b1 0.9103(4) -0.9064(5) 0.32958(8) 0.0507 Uiso 1.0 H H52b1 0.8698(2) -0.6997(5) 0.33662(10) 0.0507 Uiso 1.0 H H41b1 0.9816(2) -0.6171(5) 0.32410(10) 0.0507 Uiso 1.0 H H42b1 0.9409(4) -0.4105(5) 0.33107(8) 0.0507 Uiso 1.0 H H31b1 0.86532(19) -0.5278(5) 0.31116(10) 0.0507 Uiso 1.0 H H32b1 0.9156(4) -0.6830(5) 0.30328(7) 0.0507 Uiso 1.0 H H21b1 0.97138(19) -0.3293(5) 0.30048(10) 0.0507 Uiso 1.0 H H22b1 0.9195(4) -0.1764(5) 0.30783(7) 0.0507 Uiso 1.0 H H211 0.8950(4) -0.2467(5) 0.25719(8) 0.0507 Uiso 1.0 H H161c1 0.8889(3) -1.4152(5) 0.04051(8) 0.0507 Uiso 1.0 H H162c1 0.83363(19) -1.2470(5) 0.03498(10) 0.0507 Uiso 1.0 H H163c1 0.8918(3) -1.2501(5) 0.02503(5) 0.0507 Uiso 1.0 H H151c1 0.94639(19) -1.0716(5) 0.04625(10) 0.0507 Uiso 1.0 H H152c1 0.8912(3) -0.9036(5) 0.04073(8) 0.0507 Uiso 1.0 H H141c1 0.83750(19) -1.0571(5) 0.06119(10) 0.0507 Uiso 1.0 H H142c1 0.8925(3) -1.2266(5) 0.06669(8) 0.0507 Uiso 1.0 H H131c1 0.95055(19) -0.8849(5) 0.07245(10) 0.0507 Uiso 1.0 H H132c1 0.8956(3) -0.7152(5) 0.06693(8) 0.0507 Uiso 1.0 H H121c1 0.84162(19) -0.8690(5) 0.08735(10) 0.0507 Uiso 1.0 H H122c1 0.8966(3) -1.0385(5) 0.09286(8) 0.0507 Uiso 1.0 H H111c1 0.8999(3) -0.5272(5) 0.09309(8) 0.0507 Uiso 1.0 H H112c1 0.95464(19) -0.6974(5) 0.09866(10) 0.0507 Uiso 1.0 H H101c1 0.9003(3) -0.8506(5) 0.11900(8) 0.0507 Uiso 1.0 H H102c1 0.84546(19) -0.6808(5) 0.11343(10) 0.0507 Uiso 1.0 H H91c1 0.9035(3) -0.3393(5) 0.11930(8) 0.0507 Uiso 1.0 H H92c1 0.95834(19) -0.5090(5) 0.12485(10) 0.0507 Uiso 1.0 H H81c1 0.84906(19) -0.4946(5) 0.13959(10) 0.0507 Uiso 1.0 H H82c1 0.9039(3) -0.6643(5) 0.14514(8) 0.0507 Uiso 1.0 H H71c1 0.96176(19) -0.3226(5) 0.15113(10) 0.0507 Uiso 1.0 H H72c1 0.9069(3) -0.1529(5) 0.14558(8) 0.0507 Uiso 1.0 H H61c1 0.85228(19) -0.3095(5) 0.16578(10) 0.0507 Uiso 1.0 H H62c1 0.9071(3) -0.4796(5) 0.17132(8) 0.0507 Uiso 1.0 H H51c1 0.96489(19) -0.1380(5) 0.17742(10) 0.0507 Uiso 1.0 H H52c1 0.9099(3) 0.0316(5) 0.17193(8) 0.0507 Uiso 1.0 H H41c1 0.85541(19) -0.1276(5) 0.19208(10) 0.0507 Uiso 1.0 H H42c1 0.9104(3) -0.2971(5) 0.19757(8) 0.0507 Uiso 1.0 H H31c1 0.9188(4) 0.2125(5) 0.19744(8) 0.0507 Uiso 1.0 H H32c1 0.96707(19) 0.0293(5) 0.20525(10) 0.0507 Uiso 1.0 H H21c1 0.8967(4) -0.0927(5) 0.22326(8) 0.0507 Uiso 1.0 H H22c1 0.85246(19) 0.1110(5) 0.21603(10) 0.0507 Uiso 1.0 H H311 0.9634(3) -0.0330(5) 0.24791(7) 0.0507 Uiso 1.0 H H321 0.9607(3) 0.1643(5) 0.26169(7) 0.0507 Uiso 1.0 O O1a2 0.18954(10) 0.7680(3) 0.26253(4) 0.0253 Uiso 1.0 C C1a2 0.23039(9) 0.9073(2) 0.26927(3) 0.0253 Uiso 1.0 C C2a2 0.27411(9) 0.7650(3) 0.27895(3) 0.0253 Uiso 1.0 O O2a2 0.2324(3) 1.1184(3) 0.26769(8) 0.0253 Uiso 1.0 C C3a2 0.24458(11) 0.5530(3) 0.28597(2) 0.0253 Uiso 1.0 C C4a2 0.24367(12) 0.5849(3) 0.30343(2) 0.0253 Uiso 1.0 C C5a2 0.26073(12) 0.3552(3) 0.31166(2) 0.0253 Uiso 1.0 C C6a2 0.26044(12) 0.3897(3) 0.32912(2) 0.0253 Uiso 1.0 C C7a2 0.27643(12) 0.1591(3) 0.33737(2) 0.0253 Uiso 1.0 C C8a2 0.27802(8) 0.1944(3) 0.35483(2) 0.0253 Uiso 1.0 C C9a2 0.2636(2) -0.0343(3) 0.36252(2) 0.0253 Uiso 1.0 C C10a2 0.2602(3) -0.0586(3) 0.37761(2) 0.0253 Uiso 1.0 C C11a2 0.25554(12) -0.2896(3) 0.38600(2) 0.0253 Uiso 1.0 C C12a2 0.28272(8) -0.2589(3) 0.40235(2) 0.0253 Uiso 1.0 C C13a2 0.27452(12) -0.4819(3) 0.41183(2) 0.0253 Uiso 1.0 C C14a2 0.28999(8) -0.4306(3) 0.42888(2) 0.0253 Uiso 1.0 C C15a2 0.27888(12) -0.6480(3) 0.43868(2) 0.0253 Uiso 1.0 C C16a2 0.29054(13) -0.5888(3) 0.45579(2) 0.0253 Uiso 1.0 C C17a2 0.28315(13) -0.8086(3) 0.46568(2) 0.0253 Uiso 1.0 C C18a2 0.29526(13) -0.7484(4) 0.48276(2) 0.0253 Uiso 1.0 C C12 0.14357(9) 0.8827(3) 0.25278(3) 0.0253 Uiso 1.0 C C22 0.10142(8) 0.7003(3) 0.24621(2) 0.0253 Uiso 1.0 O O1b2 0.06128(11) 0.6318(3) 0.25790(3) 0.0253 Uiso 1.0 C C1b2 0.0683(2) 0.4171(3) 0.264108(18) 0.0253 Uiso 1.0 C C2b2 0.06606(13) 0.4265(3) 0.28144(2) 0.0253 Uiso 1.0 O O2b2 0.0764(4) 0.2400(4) 0.25684(4) 0.0253 Uiso 1.0 C C3b2 0.07406(12) 0.1793(3) 0.28826(2) 0.0253 Uiso 1.0 C C4b2 0.07159(12) 0.1900(3) 0.30580(2) 0.0253 Uiso 1.0 C C5b2 0.07973(12) -0.0562(3) 0.31276(2) 0.0253 Uiso 1.0 C C6b2 0.07677(12) -0.0423(3) 0.33028(2) 0.0253 Uiso 1.0 C C7b2 0.08533(12) -0.2865(3) 0.33750(2) 0.0253 Uiso 1.0 C C8b2 0.08117(8) -0.2683(3) 0.35498(2) 0.0253 Uiso 1.0 C C9b2 0.09013(12) -0.5103(3) 0.36252(2) 0.0253 Uiso 1.0 C C10b2 0.08634(12) -0.4867(3) 0.37997(2) 0.0253 Uiso 1.0 C C11b2 0.09576(12) -0.7256(3) 0.38788(2) 0.0253 Uiso 1.0 C C12b2 0.09088(8) -0.6968(3) 0.40527(2) 0.0253 Uiso 1.0 C C13b2 0.09980(12) -0.9337(3) 0.41346(2) 0.0253 Uiso 1.0 C C14b2 0.09190(8) -0.9037(3) 0.43072(2) 0.0253 Uiso 1.0 C C15b2 0.10362(12) -1.1374(3) 0.43911(2) 0.0253 Uiso 1.0 C C16b2 0.09808(12) -1.1055(4) 0.45646(2) 0.0253 Uiso 1.0 C C32 0.06795(9) 0.7973(3) 0.23214(2) 0.0253 Uiso 1.0 O O1c2 0.09355(10) 0.7130(4) 0.21808(2) 0.0253 Uiso 1.0 C C1c2 0.05699(8) 0.6359(3) 0.20663(2) 0.0253 Uiso 1.0 C C2c2 0.08339(9) 0.4354(3) 0.19806(2) 0.0253 Uiso 1.0 O O2c2 0.01178(11) 0.7306(4) 0.20265(6) 0.0253 Uiso 1.0 C C3c2 0.04745(9) 0.3875(3) 0.18301(2) 0.0253 Uiso 1.0 C C4c2 0.08384(9) 0.2548(3) 0.17171(2) 0.0253 Uiso 1.0 C C5c2 0.04707(9) 0.2009(3) 0.15688(2) 0.0253 Uiso 1.0 C C6c2 0.08284(9) 0.0651(3) 0.14558(2) 0.0253 Uiso 1.0 C C7c2 0.04558(9) 0.0110(3) 0.13083(2) 0.0253 Uiso 1.0 C C8c2 0.08110(9) -0.1233(3) 0.11941(2) 0.0253 Uiso 1.0 C C9c2 0.04347(9) -0.1766(3) 0.10472(2) 0.0253 Uiso 1.0 C C10c2 0.07865(9) -0.3109(3) 0.09321(2) 0.0253 Uiso 1.0 C C11c2 0.04071(9) -0.3635(3) 0.07855(2) 0.0253 Uiso 1.0 C C12c2 0.07551(9) -0.4978(3) 0.06696(2) 0.0253 Uiso 1.0 C C13c2 0.03737(9) -0.5491(3) 0.05231(2) 0.0253 Uiso 1.0 C C14c2 0.07200(9) -0.6831(3) 0.04066(2) 0.0253 Uiso 1.0 C C15c2 0.03383(9) -0.7332(3) 0.02600(2) 0.0253 Uiso 1.0 C C16c2 0.06853(7) -0.8666(4) 0.01435(3) 0.0253 Uiso 1.0 H H181a2 0.3361(2) -0.6887(5) 0.48449(10) 0.0507 Uiso 1.0 H H182a2 0.2674(3) -0.6233(5) 0.48584(9) 0.0507 Uiso 1.0 H H183a2 0.2902(3) -0.8937(5) 0.48918(7) 0.0507 Uiso 1.0 H H171a2 0.3111(3) -0.9337(5) 0.46262(9) 0.0507 Uiso 1.0 H H172a2 0.2424(2) -0.8691(5) 0.46399(10) 0.0507 Uiso 1.0 H H161a2 0.2624(3) -0.4643(5) 0.45883(9) 0.0507 Uiso 1.0 H H162a2 0.3312(2) -0.5276(5) 0.45756(10) 0.0507 Uiso 1.0 H H151a2 0.3053(3) -0.7793(5) 0.43577(9) 0.0507 Uiso 1.0 H H152a2 0.23741(19) -0.6992(5) 0.43676(10) 0.0507 Uiso 1.0 H H141a2 0.2655(3) -0.2962(5) 0.43231(9) 0.0507 Uiso 1.0 H H142a2 0.33208(19) -0.3857(5) 0.43026(10) 0.0507 Uiso 1.0 H H131a2 0.3005(3) -0.6097(5) 0.40817(9) 0.0507 Uiso 1.0 H H132a2 0.23300(19) -0.5344(5) 0.41047(10) 0.0507 Uiso 1.0 H H121a2 0.2642(3) -0.1211(5) 0.40744(8) 0.0507 Uiso 1.0 H H122a2 0.32533(19) -0.2277(5) 0.40176(10) 0.0507 Uiso 1.0 H H111a2 0.2774(3) -0.4117(5) 0.38040(7) 0.0507 Uiso 1.0 H H112a2 0.21384(19) -0.3418(5) 0.38638(10) 0.0507 Uiso 1.0 H H101a2 0.2550(7) 0.0899(5) 0.38374(7) 0.0507 Uiso 1.0 H H91a2 0.2664(6) -0.1826(5) 0.35625(7) 0.0507 Uiso 1.0 H H81a2 0.2488(2) 0.3174(5) 0.35735(9) 0.0507 Uiso 1.0 H H82a2 0.3178(2) 0.2475(5) 0.35871(9) 0.0507 Uiso 1.0 H H71a2 0.3166(2) 0.1121(5) 0.33455(9) 0.0507 Uiso 1.0 H H72a2 0.2482(3) 0.0316(5) 0.33412(9) 0.0507 Uiso 1.0 H H61a2 0.2205(2) 0.4365(5) 0.33186(9) 0.0507 Uiso 1.0 H H62a2 0.2889(3) 0.5165(5) 0.33249(9) 0.0507 Uiso 1.0 H H51a2 0.3010(2) 0.3112(5) 0.30893(9) 0.0507 Uiso 1.0 H H52a2 0.2329(3) 0.2262(5) 0.30829(9) 0.0507 Uiso 1.0 H H41a2 0.2031(2) 0.6270(5) 0.30604(9) 0.0507 Uiso 1.0 H H42a2 0.2710(3) 0.7147(5) 0.30696(9) 0.0507 Uiso 1.0 H H31a2 0.20366(19) 0.5398(5) 0.28137(9) 0.0507 Uiso 1.0 H H32a2 0.2665(3) 0.4053(5) 0.28368(9) 0.0507 Uiso 1.0 H H21a2 0.3054(2) 0.7079(5) 0.27231(7) 0.0507 Uiso 1.0 H H22a2 0.2918(3) 0.8666(5) 0.28749(6) 0.0507 Uiso 1.0 H H112 0.1224(3) 0.9986(5) 0.25917(7) 0.0507 Uiso 1.0 H H122 0.1613(3) 0.9685(5) 0.24409(6) 0.0507 Uiso 1.0 H H161b2 0.1284(2) -0.9913(5) 0.46065(9) 0.0507 Uiso 1.0 H H162b2 0.0585(2) -1.0425(5) 0.45834(9) 0.0507 Uiso 1.0 H H163b2 0.1038(3) -1.2618(5) 0.46181(8) 0.0507 Uiso 1.0 H H151b2 0.1439(2) -1.1926(5) 0.43722(9) 0.0507 Uiso 1.0 H H152b2 0.0748(2) -1.2585(5) 0.43505(9) 0.0507 Uiso 1.0 H H141b2 0.0511(2) -0.8516(5) 0.43225(9) 0.0507 Uiso 1.0 H H142b2 0.1198(3) -0.7809(5) 0.43505(9) 0.0507 Uiso 1.0 H H131b2 0.1401(2) -0.9931(5) 0.41194(10) 0.0507 Uiso 1.0 H H132b2 0.0707(2) -1.0506(5) 0.40899(9) 0.0507 Uiso 1.0 H H121b2 0.0514(2) -0.6336(5) 0.40727(9) 0.0507 Uiso 1.0 H H122b2 0.1213(2) -0.5826(5) 0.40940(9) 0.0507 Uiso 1.0 H H111b2 0.0655(2) -0.8401(5) 0.38368(9) 0.0507 Uiso 1.0 H H112b2 0.1354(2) -0.7868(5) 0.38584(9) 0.0507 Uiso 1.0 H H101b2 0.1169(2) -0.3732(5) 0.38413(9) 0.0507 Uiso 1.0 H H102b2 0.0470(2) -0.4246(5) 0.38221(9) 0.0507 Uiso 1.0 H H91b2 0.1293(2) -0.5737(5) 0.36023(9) 0.0507 Uiso 1.0 H H92b2 0.0592(2) -0.6215(5) 0.35829(9) 0.0507 Uiso 1.0 H H81b2 0.0419(2) -0.2060(5) 0.35727(9) 0.0507 Uiso 1.0 H H82b2 0.1119(2) -0.1573(5) 0.35933(9) 0.0507 Uiso 1.0 H H71b2 0.1246(2) -0.3491(5) 0.33518(9) 0.0507 Uiso 1.0 H H72b2 0.0544(2) -0.3962(5) 0.33309(9) 0.0507 Uiso 1.0 H H61b2 0.0379(2) 0.0211(5) 0.33280(9) 0.0507 Uiso 1.0 H H62b2 0.1080(2) 0.0664(5) 0.33463(9) 0.0507 Uiso 1.0 H H51b2 0.1186(2) -0.1204(5) 0.31020(9) 0.0507 Uiso 1.0 H H52b2 0.0482(2) -0.1633(5) 0.30836(9) 0.0507 Uiso 1.0 H H41b2 0.1032(2) 0.2965(5) 0.31020(9) 0.0507 Uiso 1.0 H H42b2 0.0329(2) 0.2543(5) 0.30846(9) 0.0507 Uiso 1.0 H H31b2 0.0423(2) 0.0733(5) 0.28384(9) 0.0507 Uiso 1.0 H H32b2 0.1127(2) 0.1148(5) 0.28558(9) 0.0507 Uiso 1.0 H H21b2 0.0979(2) 0.5321(5) 0.28585(9) 0.0507 Uiso 1.0 H H22b2 0.0275(2) 0.4911(5) 0.28416(9) 0.0507 Uiso 1.0 H H212 0.1237(3) 0.5572(5) 0.24313(9) 0.0507 Uiso 1.0 H H161c2 0.1023(2) -0.7676(5) 0.01149(9) 0.0507 Uiso 1.0 H H162c2 0.0832(3) -1.0190(5) 0.01906(8) 0.0507 Uiso 1.0 H H163c2 0.0429(3) -0.9010(5) 0.00483(6) 0.0507 Uiso 1.0 H H151c2 0.0197(3) -0.5800(5) 0.02131(8) 0.0507 Uiso 1.0 H H152c2 -0.0004(2) -0.8313(5) 0.02869(9) 0.0507 Uiso 1.0 H H141c2 0.0861(3) -0.8364(5) 0.04535(8) 0.0507 Uiso 1.0 H H142c2 0.1062(2) -0.5854(5) 0.03796(9) 0.0507 Uiso 1.0 H H131c2 0.0231(3) -0.3962(5) 0.04759(8) 0.0507 Uiso 1.0 H H132c2 0.0032(2) -0.6472(5) 0.05503(9) 0.0507 Uiso 1.0 H H121c2 0.0896(3) -0.6507(5) 0.07170(8) 0.0507 Uiso 1.0 H H122c2 0.1097(2) -0.4000(5) 0.06425(9) 0.0507 Uiso 1.0 H H111c2 0.0066(2) -0.4618(5) 0.08128(9) 0.0507 Uiso 1.0 H H112c2 0.0264(3) -0.2110(5) 0.07379(8) 0.0507 Uiso 1.0 H H101c2 0.1128(2) -0.2124(5) 0.09051(9) 0.0507 Uiso 1.0 H H102c2 0.0929(3) -0.4632(5) 0.09801(8) 0.0507 Uiso 1.0 H H91c2 0.0094(2) -0.2750(5) 0.10741(9) 0.0507 Uiso 1.0 H H92c2 0.0292(3) -0.0243(5) 0.09992(8) 0.0507 Uiso 1.0 H H81c2 0.0953(3) -0.2754(5) 0.12424(8) 0.0507 Uiso 1.0 H H82c2 0.1152(2) -0.0246(5) 0.11674(9) 0.0507 Uiso 1.0 H H71c2 0.0313(3) 0.1629(5) 0.12598(8) 0.0507 Uiso 1.0 H H72c2 0.0114(2) -0.0877(5) 0.13347(9) 0.0507 Uiso 1.0 H H61c2 0.0969(3) -0.0867(5) 0.15048(8) 0.0507 Uiso 1.0 H H62c2 0.1171(2) 0.1631(5) 0.14294(9) 0.0507 Uiso 1.0 H H51c2 0.0333(3) 0.3530(5) 0.15197(8) 0.0507 Uiso 1.0 H H52c2 0.0126(2) 0.1033(5) 0.15944(9) 0.0507 Uiso 1.0 H H41c2 0.0981(3) 0.1030(5) 0.17657(8) 0.0507 Uiso 1.0 H H42c2 0.1179(2) 0.3546(5) 0.16919(9) 0.0507 Uiso 1.0 H H31c2 0.0127(2) 0.2897(5) 0.18527(9) 0.0507 Uiso 1.0 H H32c2 0.0342(3) 0.5415(5) 0.17827(8) 0.0507 Uiso 1.0 H H21c2 0.1241(2) 0.4782(5) 0.19566(9) 0.0507 Uiso 1.0 H H22c2 0.0842(4) 0.2897(5) 0.20468(7) 0.0507 Uiso 1.0 H H312 0.0692(4) 0.9745(4) 0.23241(10) 0.0507 Uiso 1.0 H H322 0.02651(19) 0.7433(5) 0.23211(10) 0.0507 Uiso 1.0 loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source O 0.000 0.000 International_Tables_Vol_C C 0.000 0.000 International_Tables_Vol_C H 0.000 0.000 International_Tables_Vol_C 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 C1a1 O1a1 C11 1_555 1_555 117.1(6) n O1a1 C1a1 C2a1 1_555 1_555 111.0(16) n O1a1 C1a1 O2a1 1_555 1_555 124.5(16) n C2a1 C1a1 O2a1 1_555 1_555 124.5(3) n C1a1 C2a1 C3a1 1_555 1_555 109.99(18) n C1a1 C2a1 H21a1 1_555 1_555 109.4(3) n C1a1 C2a1 H22a1 1_555 1_555 109.4(4) n C3a1 C2a1 H21a1 1_555 1_555 109.4(4) n C3a1 C2a1 H22a1 1_555 1_555 109.4(5) n H21a1 C2a1 H22a1 1_555 1_555 109.4(5) n C2a1 C3a1 C4a1 1_555 1_555 109.99(15) n C2a1 C3a1 H31a1 1_555 1_555 109.4(5) n C2a1 C3a1 H32a1 1_555 1_555 109.4(5) n C4a1 C3a1 H31a1 1_555 1_555 109.4(4) n C4a1 C3a1 H32a1 1_555 1_555 109.4(4) n H31a1 C3a1 H32a1 1_555 1_555 109.4(4) n C3a1 C4a1 C5a1 1_555 1_555 109.98(15) n C3a1 C4a1 H41a1 1_555 1_555 109.4(4) n C3a1 C4a1 H42a1 1_555 1_555 109.3(4) n C5a1 C4a1 H41a1 1_555 1_555 109.4(5) n C5a1 C4a1 H42a1 1_555 1_555 109.4(5) n H41a1 C4a1 H42a1 1_555 1_555 109.4(4) n C4a1 C5a1 C6a1 1_555 1_555 110.00(15) n C4a1 C5a1 H51a1 1_555 1_555 109.4(5) n C4a1 C5a1 H52a1 1_555 1_555 109.3(5) n C6a1 C5a1 H51a1 1_555 1_555 109.4(4) n C6a1 C5a1 H52a1 1_555 1_555 109.3(4) n H51a1 C5a1 H52a1 1_555 1_555 109.4(4) n C5a1 C6a1 C7a1 1_555 1_555 109.98(15) n C5a1 C6a1 H61a1 1_555 1_555 109.3(4) n C5a1 C6a1 H62a1 1_555 1_555 109.4(4) n C7a1 C6a1 H61a1 1_555 1_555 109.4(5) n C7a1 C6a1 H62a1 1_555 1_555 109.4(5) n H61a1 C6a1 H62a1 1_555 1_555 109.4(4) n C6a1 C7a1 C8a1 1_555 1_555 110.15(15) n C6a1 C7a1 H71a1 1_555 1_555 109.4(5) n C6a1 C7a1 H72a1 1_555 1_555 109.3(5) n C8a1 C7a1 H71a1 1_555 1_555 109.3(4) n C8a1 C7a1 H72a1 1_555 1_555 109.3(4) n H71a1 C7a1 H72a1 1_555 1_555 109.3(4) n C7a1 C8a1 C9a1 1_555 1_555 109.79(15) n C7a1 C8a1 H81a1 1_555 1_555 109.5(4) n C7a1 C8a1 H82a1 1_555 1_555 109.4(4) n C9a1 C8a1 H81a1 1_555 1_555 109.4(5) n C9a1 C8a1 H82a1 1_555 1_555 109.4(5) n H81a1 C8a1 H82a1 1_555 1_555 109.4(4) n C8a1 C9a1 C10a1 1_555 1_555 125.3(2) n C8a1 C9a1 H91a1 1_555 1_555 117.0(4) n C10a1 C9a1 H91a1 1_555 1_555 117.0(4) n C9a1 C10a1 C11a1 1_555 1_555 124.5(2) n C9a1 C10a1 H101a1 1_555 1_555 117.1(4) n C11a1 C10a1 H101a1 1_555 1_555 117.1(4) n C10a1 C11a1 C12a1 1_555 1_555 110.43(17) n C10a1 C11a1 H111a1 1_555 1_555 109.3(5) n C10a1 C11a1 H112a1 1_555 1_555 109.3(4) n C12a1 C11a1 H111a1 1_555 1_555 109.3(4) n C12a1 C11a1 H112a1 1_555 1_555 109.3(4) n H111a1 C11a1 H112a1 1_555 1_555 109.3(6) n C11a1 C12a1 C13a1 1_555 1_555 109.68(16) n C11a1 C12a1 H121a1 1_555 1_555 109.4(4) n C11a1 C12a1 H122a1 1_555 1_555 109.4(4) n C13a1 C12a1 H121a1 1_555 1_555 109.5(5) n C13a1 C12a1 H122a1 1_555 1_555 109.4(4) n H121a1 C12a1 H122a1 1_555 1_555 109.4(6) n C12a1 C13a1 C14a1 1_555 1_555 110.30(16) n C12a1 C13a1 H131a1 1_555 1_555 109.3(5) n C12a1 C13a1 H132a1 1_555 1_555 109.3(4) n C14a1 C13a1 H131a1 1_555 1_555 109.3(4) n C14a1 C13a1 H132a1 1_555 1_555 109.4(4) n H131a1 C13a1 H132a1 1_555 1_555 109.3(6) n C13a1 C14a1 C15a1 1_555 1_555 109.98(16) n C13a1 C14a1 H141a1 1_555 1_555 109.4(4) n C13a1 C14a1 H142a1 1_555 1_555 109.3(4) n C15a1 C14a1 H141a1 1_555 1_555 109.4(5) n C15a1 C14a1 H142a1 1_555 1_555 109.4(4) n H141a1 C14a1 H142a1 1_555 1_555 109.3(6) n C14a1 C15a1 C16a1 1_555 1_555 110.11(16) n C14a1 C15a1 H151a1 1_555 1_555 109.4(5) n C14a1 C15a1 H152a1 1_555 1_555 109.4(4) n C16a1 C15a1 H151a1 1_555 1_555 109.3(4) n C16a1 C15a1 H152a1 1_555 1_555 109.3(4) n H151a1 C15a1 H152a1 1_555 1_555 109.3(6) n C15a1 C16a1 C17a1 1_555 1_555 110.12(17) n C15a1 C16a1 H161a1 1_555 1_555 109.4(4) n C15a1 C16a1 H162a1 1_555 1_555 109.4(4) n C17a1 C16a1 H161a1 1_555 1_555 109.3(5) n C17a1 C16a1 H162a1 1_555 1_555 109.3(4) n H161a1 C16a1 H162a1 1_555 1_555 109.3(6) n C16a1 C17a1 C18a1 1_555 1_555 109.98(17) n C16a1 C17a1 H171a1 1_555 1_555 109.4(5) n C16a1 C17a1 H172a1 1_555 1_555 109.4(4) n C18a1 C17a1 H171a1 1_555 1_555 109.4(4) n C18a1 C17a1 H172a1 1_555 1_555 109.3(4) n H171a1 C17a1 H172a1 1_555 1_555 109.4(6) n C17a1 C18a1 H181a1 1_555 1_555 109.5(4) n C17a1 C18a1 H182a1 1_555 1_555 109.5(4) n C17a1 C18a1 H183a1 1_555 1_555 109.5(3) n H181a1 C18a1 H182a1 1_555 1_555 109.5(6) n H181a1 C18a1 H183a1 1_555 1_555 109.5(5) n H182a1 C18a1 H183a1 1_555 1_555 109.4(6) n O1a1 C11 C21 1_555 1_555 110.1(4) n O1a1 C11 H111 1_555 1_555 109.3(11) n O1a1 C11 H121 1_555 1_555 109.3(14) n C21 C11 H111 1_555 1_555 109.4(3) n C21 C11 H121 1_555 1_555 109.3(5) n H111 C11 H121 1_555 1_555 109.3(6) n C11 C21 O1b1 1_555 1_555 110.1(2) n C11 C21 C31 1_555 1_555 109.89(15) n C11 C21 H211 1_555 1_555 108.9(5) n O1b1 C21 C31 1_555 1_555 110.19(19) n O1b1 C21 H211 1_555 1_555 108.9(4) n C31 C21 H211 1_555 1_555 108.9(5) n C21 O1b1 C1b1 1_555 1_555 117.0(2) n O1b1 C1b1 C2b1 1_555 1_555 111.17(19) n O1b1 C1b1 O2b1 1_555 1_555 124.4(3) n C2b1 C1b1 O2b1 1_555 1_555 124.4(2) n C1b1 C2b1 C3b1 1_555 1_555 109.88(16) n C1b1 C2b1 H21b1 1_555 1_555 109.4(5) n C1b1 C2b1 H22b1 1_555 1_555 109.4(4) n C3b1 C2b1 H21b1 1_555 1_555 109.4(3) n C3b1 C2b1 H22b1 1_555 1_555 109.4(4) n H21b1 C2b1 H22b1 1_555 1_555 109.4(6) n C2b1 C3b1 C4b1 1_555 1_555 110.25(16) n C2b1 C3b1 H31b1 1_555 1_555 109.3(3) n C2b1 C3b1 H32b1 1_555 1_555 109.3(4) n C4b1 C3b1 H31b1 1_555 1_555 109.3(5) n C4b1 C3b1 H32b1 1_555 1_555 109.3(4) n H31b1 C3b1 H32b1 1_555 1_555 109.4(6) n C3b1 C4b1 C5b1 1_555 1_555 109.88(17) n C3b1 C4b1 H41b1 1_555 1_555 109.4(5) n C3b1 C4b1 H42b1 1_555 1_555 109.4(4) n C5b1 C4b1 H41b1 1_555 1_555 109.4(3) n C5b1 C4b1 H42b1 1_555 1_555 109.4(4) n H41b1 C4b1 H42b1 1_555 1_555 109.4(6) n C4b1 C5b1 C6b1 1_555 1_555 110.04(16) n C4b1 C5b1 H51b1 1_555 1_555 109.4(4) n C4b1 C5b1 H52b1 1_555 1_555 109.4(3) n C6b1 C5b1 H51b1 1_555 1_555 109.3(4) n C6b1 C5b1 H52b1 1_555 1_555 109.4(5) n H51b1 C5b1 H52b1 1_555 1_555 109.4(6) n C5b1 C6b1 C7b1 1_555 1_555 110.16(16) n C5b1 C6b1 H61b1 1_555 1_555 109.3(4) n C5b1 C6b1 H62b1 1_555 1_555 109.3(5) n C7b1 C6b1 H61b1 1_555 1_555 109.4(4) n C7b1 C6b1 H62b1 1_555 1_555 109.3(3) n H61b1 C6b1 H62b1 1_555 1_555 109.3(6) n C6b1 C7b1 C8b1 1_555 1_555 109.74(16) n C6b1 C7b1 H71b1 1_555 1_555 109.4(4) n C6b1 C7b1 H72b1 1_555 1_555 109.4(3) n C8b1 C7b1 H71b1 1_555 1_555 109.4(4) n C8b1 C7b1 H72b1 1_555 1_555 109.4(5) n H71b1 C7b1 H72b1 1_555 1_555 109.4(6) n C7b1 C8b1 C9b1 1_555 1_555 110.47(16) n C7b1 C8b1 H81b1 1_555 1_555 109.3(4) n C7b1 C8b1 H82b1 1_555 1_555 109.3(5) n C9b1 C8b1 H81b1 1_555 1_555 109.2(4) n C9b1 C8b1 H82b1 1_555 1_555 109.3(3) n H81b1 C8b1 H82b1 1_555 1_555 109.3(6) n C8b1 C9b1 C10b1 1_555 1_555 109.55(16) n C8b1 C9b1 H91b1 1_555 1_555 109.5(4) n C8b1 C9b1 H92b1 1_555 1_555 109.4(3) n C10b1 C9b1 H91b1 1_555 1_555 109.5(4) n C10b1 C9b1 H92b1 1_555 1_555 109.4(5) n H91b1 C9b1 H92b1 1_555 1_555 109.5(6) n C9b1 C10b1 C11b1 1_555 1_555 110.55(16) n C9b1 C10b1 H101b1 1_555 1_555 109.2(5) n C9b1 C10b1 H102b1 1_555 1_555 109.2(4) n C11b1 C10b1 H101b1 1_555 1_555 109.3(3) n C11b1 C10b1 H102b1 1_555 1_555 109.3(4) n H101b1 C10b1 H102b1 1_555 1_555 109.3(6) n C10b1 C11b1 C12b1 1_555 1_555 109.57(16) n C10b1 C11b1 H111b1 1_555 1_555 109.4(3) n C10b1 C11b1 H112b1 1_555 1_555 109.4(4) n C12b1 C11b1 H111b1 1_555 1_555 109.5(5) n C12b1 C11b1 H112b1 1_555 1_555 109.5(4) n H111b1 C11b1 H112b1 1_555 1_555 109.4(6) n C11b1 C12b1 C13b1 1_555 1_555 110.52(16) n C11b1 C12b1 H121b1 1_555 1_555 109.2(4) n C11b1 C12b1 H122b1 1_555 1_555 109.2(5) n C13b1 C12b1 H121b1 1_555 1_555 109.3(4) n C13b1 C12b1 H122b1 1_555 1_555 109.3(3) n H121b1 C12b1 H122b1 1_555 1_555 109.3(6) n C12b1 C13b1 C14b1 1_555 1_555 109.85(16) n C12b1 C13b1 H131b1 1_555 1_555 109.4(4) n C12b1 C13b1 H132b1 1_555 1_555 109.4(3) n C14b1 C13b1 H131b1 1_555 1_555 109.4(4) n C14b1 C13b1 H132b1 1_555 1_555 109.4(5) n H131b1 C13b1 H132b1 1_555 1_555 109.4(6) n C13b1 C14b1 C15b1 1_555 1_555 110.29(16) n C13b1 C14b1 H141b1 1_555 1_555 109.3(4) n C13b1 C14b1 H142b1 1_555 1_555 109.3(5) n C15b1 C14b1 H141b1 1_555 1_555 109.3(4) n C15b1 C14b1 H142b1 1_555 1_555 109.3(3) n H141b1 C14b1 H142b1 1_555 1_555 109.3(6) n C14b1 C15b1 C16b1 1_555 1_555 110.05(16) n C14b1 C15b1 H151b1 1_555 1_555 109.4(4) n C14b1 C15b1 H152b1 1_555 1_555 109.4(3) n C16b1 C15b1 H151b1 1_555 1_555 109.3(4) n C16b1 C15b1 H152b1 1_555 1_555 109.3(5) n H151b1 C15b1 H152b1 1_555 1_555 109.4(6) n C15b1 C16b1 H161b1 1_555 1_555 109.5(5) n C15b1 C16b1 H162b1 1_555 1_555 109.5(4) n C15b1 C16b1 H163b1 1_555 1_555 109.5(4) n H161b1 C16b1 H162b1 1_555 1_555 109.5(6) n H161b1 C16b1 H163b1 1_555 1_555 109.4(5) n H162b1 C16b1 H163b1 1_555 1_555 109.4(5) n C21 C31 O1c1 1_555 1_555 110.00(17) n C21 C31 H311 1_555 1_555 109.4(3) n C21 C31 H321 1_555 1_555 109.4(4) n O1c1 C31 H311 1_555 1_555 109.4(4) n O1c1 C31 H321 1_555 1_555 109.4(3) n H311 C31 H321 1_555 1_555 109.4(5) n C31 O1c1 C1c1 1_555 1_555 117.1(2) n O1c1 C1c1 C2c1 1_555 1_555 110.98(18) n O1c1 C1c1 O2c1 1_555 1_555 124.5(2) n C2c1 C1c1 O2c1 1_555 1_555 124.5(2) n C1c1 C2c1 C3c1 1_555 1_555 109.96(16) n C1c1 C2c1 H21c1 1_555 1_555 109.4(4) n C1c1 C2c1 H22c1 1_555 1_555 109.4(4) n C3c1 C2c1 H21c1 1_555 1_555 109.4(4) n C3c1 C2c1 H22c1 1_555 1_555 109.4(5) n H21c1 C2c1 H22c1 1_555 1_555 109.4(6) n C2c1 C3c1 C4c1 1_555 1_555 109.92(16) n C2c1 C3c1 H31c1 1_555 1_555 109.4(4) n C2c1 C3c1 H32c1 1_555 1_555 109.4(5) n C4c1 C3c1 H31c1 1_555 1_555 109.4(4) n C4c1 C3c1 H32c1 1_555 1_555 109.4(3) n H31c1 C3c1 H32c1 1_555 1_555 109.4(6) n C3c1 C4c1 C5c1 1_555 1_555 110.04(16) n C3c1 C4c1 H41c1 1_555 1_555 109.4(4) n C3c1 C4c1 H42c1 1_555 1_555 109.3(4) n C5c1 C4c1 H41c1 1_555 1_555 109.4(5) n C5c1 C4c1 H42c1 1_555 1_555 109.4(5) n H41c1 C4c1 H42c1 1_555 1_555 109.3(5) n C4c1 C5c1 C6c1 1_555 1_555 109.86(16) n C4c1 C5c1 H51c1 1_555 1_555 109.4(5) n C4c1 C5c1 H52c1 1_555 1_555 109.4(5) n C6c1 C5c1 H51c1 1_555 1_555 109.4(4) n C6c1 C5c1 H52c1 1_555 1_555 109.4(4) n H51c1 C5c1 H52c1 1_555 1_555 109.4(5) n C5c1 C6c1 C7c1 1_555 1_555 110.13(16) n C5c1 C6c1 H61c1 1_555 1_555 109.3(4) n C5c1 C6c1 H62c1 1_555 1_555 109.3(4) n C7c1 C6c1 H61c1 1_555 1_555 109.3(5) n C7c1 C6c1 H62c1 1_555 1_555 109.3(5) n H61c1 C6c1 H62c1 1_555 1_555 109.4(5) n C6c1 C7c1 C8c1 1_555 1_555 109.84(16) n C6c1 C7c1 H71c1 1_555 1_555 109.4(5) n C6c1 C7c1 H72c1 1_555 1_555 109.4(5) n C8c1 C7c1 H71c1 1_555 1_555 109.4(4) n C8c1 C7c1 H72c1 1_555 1_555 109.4(4) n H71c1 C7c1 H72c1 1_555 1_555 109.4(5) n C7c1 C8c1 C9c1 1_555 1_555 110.15(16) n C7c1 C8c1 H81c1 1_555 1_555 109.3(4) n C7c1 C8c1 H82c1 1_555 1_555 109.3(4) n C9c1 C8c1 H81c1 1_555 1_555 109.3(5) n C9c1 C8c1 H82c1 1_555 1_555 109.3(5) n H81c1 C8c1 H82c1 1_555 1_555 109.3(5) n C8c1 C9c1 C10c1 1_555 1_555 109.84(16) n C8c1 C9c1 H91c1 1_555 1_555 109.4(4) n C8c1 C9c1 H92c1 1_555 1_555 109.4(5) n C10c1 C9c1 H91c1 1_555 1_555 109.4(4) n C10c1 C9c1 H92c1 1_555 1_555 109.4(4) n H91c1 C9c1 H92c1 1_555 1_555 109.4(5) n C9c1 C10c1 C11c1 1_555 1_555 110.09(16) n C9c1 C10c1 H101c1 1_555 1_555 109.3(4) n C9c1 C10c1 H102c1 1_555 1_555 109.4(4) n C11c1 C10c1 H101c1 1_555 1_555 109.3(4) n C11c1 C10c1 H102c1 1_555 1_555 109.3(5) n H101c1 C10c1 H102c1 1_555 1_555 109.4(5) n C10c1 C11c1 C12c1 1_555 1_555 109.89(16) n C10c1 C11c1 H111c1 1_555 1_555 109.4(4) n C10c1 C11c1 H112c1 1_555 1_555 109.4(5) n C12c1 C11c1 H111c1 1_555 1_555 109.4(4) n C12c1 C11c1 H112c1 1_555 1_555 109.4(4) n H111c1 C11c1 H112c1 1_555 1_555 109.4(5) n C11c1 C12c1 C13c1 1_555 1_555 110.02(16) n C11c1 C12c1 H121c1 1_555 1_555 109.4(4) n C11c1 C12c1 H122c1 1_555 1_555 109.3(4) n C13c1 C12c1 H121c1 1_555 1_555 109.4(5) n C13c1 C12c1 H122c1 1_555 1_555 109.3(4) n H121c1 C12c1 H122c1 1_555 1_555 109.4(5) n C12c1 C13c1 C14c1 1_555 1_555 110.01(16) n C12c1 C13c1 H131c1 1_555 1_555 109.3(5) n C12c1 C13c1 H132c1 1_555 1_555 109.3(4) n C14c1 C13c1 H131c1 1_555 1_555 109.4(4) n C14c1 C13c1 H132c1 1_555 1_555 109.4(4) n H131c1 C13c1 H132c1 1_555 1_555 109.4(5) n C13c1 C14c1 C15c1 1_555 1_555 110.02(16) n C13c1 C14c1 H141c1 1_555 1_555 109.4(4) n C13c1 C14c1 H142c1 1_555 1_555 109.4(4) n C15c1 C14c1 H141c1 1_555 1_555 109.4(5) n C15c1 C14c1 H142c1 1_555 1_555 109.4(4) n H141c1 C14c1 H142c1 1_555 1_555 109.3(5) n C14c1 C15c1 C16c1 1_555 1_555 110.07(17) n C14c1 C15c1 H151c1 1_555 1_555 109.4(5) n C14c1 C15c1 H152c1 1_555 1_555 109.3(4) n C16c1 C15c1 H151c1 1_555 1_555 109.4(4) n C16c1 C15c1 H152c1 1_555 1_555 109.3(4) n H151c1 C15c1 H152c1 1_555 1_555 109.3(5) n C15c1 C16c1 H161c1 1_555 1_555 109.5(4) n C15c1 C16c1 H162c1 1_555 1_555 109.5(4) n C15c1 C16c1 H163c1 1_555 1_555 109.5(3) n H161c1 C16c1 H162c1 1_555 1_555 109.5(5) n H161c1 C16c1 H163c1 1_555 1_555 109.4(5) n H162c1 C16c1 H163c1 1_555 1_555 109.5(7) n C1a2 O1a2 C12 1_555 1_555 117.15(16) n O1a2 C1a2 C2a2 1_555 1_555 110.99(15) n O1a2 C1a2 O2a2 1_555 1_555 124.5(4) n C2a2 C1a2 O2a2 1_555 1_555 124.5(4) n C1a2 C2a2 C3a2 1_555 1_555 110.04(17) n C1a2 C2a2 H21a2 1_555 1_555 109.5(4) n C1a2 C2a2 H22a2 1_555 1_555 109.4(3) n C3a2 C2a2 H21a2 1_555 1_555 109.3(2) n C3a2 C2a2 H22a2 1_555 1_555 109.2(3) n H21a2 C2a2 H22a2 1_555 1_555 109.4(5) n C2a2 C3a2 C4a2 1_555 1_555 109.61(16) n C2a2 C3a2 H31a2 1_555 1_555 109.4(3) n C2a2 C3a2 H32a2 1_555 1_555 109.5(4) n C4a2 C3a2 H31a2 1_555 1_555 109.4(5) n C4a2 C3a2 H32a2 1_555 1_555 109.4(5) n H31a2 C3a2 H32a2 1_555 1_555 109.5(4) n C3a2 C4a2 C5a2 1_555 1_555 110.11(15) n C3a2 C4a2 H41a2 1_555 1_555 108.7(5) n C3a2 C4a2 H42a2 1_555 1_555 110.0(5) n C5a2 C4a2 H41a2 1_555 1_555 108.4(3) n C5a2 C4a2 H42a2 1_555 1_555 110.1(4) n H41a2 C4a2 H42a2 1_555 1_555 109.5(4) n C4a2 C5a2 C6a2 1_555 1_555 109.74(14) n C4a2 C5a2 H51a2 1_555 1_555 108.5(3) n C4a2 C5a2 H52a2 1_555 1_555 110.1(4) n C6a2 C5a2 H51a2 1_555 1_555 109.0(5) n C6a2 C5a2 H52a2 1_555 1_555 109.9(5) n H51a2 C5a2 H52a2 1_555 1_555 109.6(4) n C5a2 C6a2 C7a2 1_555 1_555 109.88(14) n C5a2 C6a2 H61a2 1_555 1_555 109.2(5) n C5a2 C6a2 H62a2 1_555 1_555 109.7(5) n C7a2 C6a2 H61a2 1_555 1_555 108.4(4) n C7a2 C6a2 H62a2 1_555 1_555 109.9(4) n H61a2 C6a2 H62a2 1_555 1_555 109.7(4) n C6a2 C7a2 C8a2 1_555 1_555 110.11(14) n C6a2 C7a2 H71a2 1_555 1_555 108.2(3) n C6a2 C7a2 H72a2 1_555 1_555 110.6(4) n C8a2 C7a2 H71a2 1_555 1_555 108.0(5) n C8a2 C7a2 H72a2 1_555 1_555 110.4(5) n H71a2 C7a2 H72a2 1_555 1_555 109.5(4) n C7a2 C8a2 C9a2 1_555 1_555 109.54(14) n C7a2 C8a2 H81a2 1_555 1_555 109.3(5) n C7a2 C8a2 H82a2 1_555 1_555 109.7(5) n C9a2 C8a2 H81a2 1_555 1_555 109.3(4) n C9a2 C8a2 H82a2 1_555 1_555 109.5(4) n H81a2 C8a2 H82a2 1_555 1_555 109.5(4) n C8a2 C9a2 C10a2 1_555 1_555 123.79(17) n C8a2 C9a2 H91a2 1_555 1_555 117.2(5) n C10a2 C9a2 H91a2 1_555 1_555 117.2(4) n C9a2 C10a2 C11a2 1_555 1_555 125.38(16) n C9a2 C10a2 H101a2 1_555 1_555 116.8(4) n C11a2 C10a2 H101a2 1_555 1_555 117.3(4) n C10a2 C11a2 C12a2 1_555 1_555 108.20(17) n C10a2 C11a2 H111a2 1_555 1_555 108.3(4) n C10a2 C11a2 H112a2 1_555 1_555 111.6(4) n C12a2 C11a2 H111a2 1_555 1_555 109.8(4) n C12a2 C11a2 H112a2 1_555 1_555 110.0(5) n H111a2 C11a2 H112a2 1_555 1_555 109.0(5) n C11a2 C12a2 C13a2 1_555 1_555 110.38(14) n C11a2 C12a2 H121a2 1_555 1_555 109.5(4) n C11a2 C12a2 H122a2 1_555 1_555 108.8(5) n C13a2 C12a2 H121a2 1_555 1_555 109.7(4) n C13a2 C12a2 H122a2 1_555 1_555 109.2(3) n H121a2 C12a2 H122a2 1_555 1_555 109.3(5) n C12a2 C13a2 C14a2 1_555 1_555 109.51(14) n C12a2 C13a2 H131a2 1_555 1_555 109.3(4) n C12a2 C13a2 H132a2 1_555 1_555 109.4(4) n C14a2 C13a2 H131a2 1_555 1_555 109.5(4) n C14a2 C13a2 H132a2 1_555 1_555 109.5(5) n H131a2 C13a2 H132a2 1_555 1_555 109.6(4) n C13a2 C14a2 C15a2 1_555 1_555 110.35(14) n C13a2 C14a2 H141a2 1_555 1_555 109.2(4) n C13a2 C14a2 H142a2 1_555 1_555 109.3(5) n C15a2 C14a2 H141a2 1_555 1_555 109.3(4) n C15a2 C14a2 H142a2 1_555 1_555 109.4(4) n H141a2 C14a2 H142a2 1_555 1_555 109.3(4) n C14a2 C15a2 C16a2 1_555 1_555 109.72(14) n C14a2 C15a2 H151a2 1_555 1_555 109.4(4) n C14a2 C15a2 H152a2 1_555 1_555 109.4(4) n C16a2 C15a2 H151a2 1_555 1_555 109.4(5) n C16a2 C15a2 H152a2 1_555 1_555 109.5(5) n H151a2 C15a2 H152a2 1_555 1_555 109.4(4) n C15a2 C16a2 C17a2 1_555 1_555 110.28(14) n C15a2 C16a2 H161a2 1_555 1_555 109.3(5) n C15a2 C16a2 H162a2 1_555 1_555 109.4(5) n C17a2 C16a2 H161a2 1_555 1_555 109.2(4) n C17a2 C16a2 H162a2 1_555 1_555 109.4(4) n H161a2 C16a2 H162a2 1_555 1_555 109.3(4) n C16a2 C17a2 C18a2 1_555 1_555 109.97(15) n C16a2 C17a2 H171a2 1_555 1_555 109.4(4) n C16a2 C17a2 H172a2 1_555 1_555 109.4(4) n C18a2 C17a2 H171a2 1_555 1_555 109.3(5) n C18a2 C17a2 H172a2 1_555 1_555 109.4(5) n H171a2 C17a2 H172a2 1_555 1_555 109.4(4) n C17a2 C18a2 H181a2 1_555 1_555 109.5(5) n C17a2 C18a2 H182a2 1_555 1_555 109.5(5) n C17a2 C18a2 H183a2 1_555 1_555 109.5(4) n H181a2 C18a2 H182a2 1_555 1_555 109.5(4) n H181a2 C18a2 H183a2 1_555 1_555 109.5(6) n H182a2 C18a2 H183a2 1_555 1_555 109.4(6) n O1a2 C12 C22 1_555 1_555 109.96(14) n O1a2 C12 H112 1_555 1_555 109.4(4) n O1a2 C12 H122 1_555 1_555 109.4(4) n C22 C12 H112 1_555 1_555 109.4(4) n C22 C12 H122 1_555 1_555 109.4(4) n H112 C12 H122 1_555 1_555 109.4(4) n C12 C22 O1b2 1_555 1_555 109.95(16) n C12 C22 C32 1_555 1_555 110.04(15) n C12 C22 H212 1_555 1_555 109.0(4) n O1b2 C22 C32 1_555 1_555 109.93(16) n O1b2 C22 H212 1_555 1_555 109.0(4) n C32 C22 H212 1_555 1_555 108.9(4) n C22 O1b2 C1b2 1_555 1_555 117.0(2) n O1b2 C1b2 C2b2 1_555 1_555 111.00(16) n O1b2 C1b2 O2b2 1_555 1_555 124.5(2) n C2b2 C1b2 O2b2 1_555 1_555 124.47(19) n C1b2 C2b2 C3b2 1_555 1_555 110.03(14) n C1b2 C2b2 H21b2 1_555 1_555 109.4(5) n C1b2 C2b2 H22b2 1_555 1_555 109.4(5) n C3b2 C2b2 H21b2 1_555 1_555 109.3(3) n C3b2 C2b2 H22b2 1_555 1_555 109.4(3) n H21b2 C2b2 H22b2 1_555 1_555 109.4(4) n C2b2 C3b2 C4b2 1_555 1_555 109.75(14) n C2b2 C3b2 H31b2 1_555 1_555 109.4(3) n C2b2 C3b2 H32b2 1_555 1_555 109.4(3) n C4b2 C3b2 H31b2 1_555 1_555 109.4(5) n C4b2 C3b2 H32b2 1_555 1_555 109.4(5) n H31b2 C3b2 H32b2 1_555 1_555 109.4(4) n C3b2 C4b2 C5b2 1_555 1_555 110.23(14) n C3b2 C4b2 H41b2 1_555 1_555 109.3(5) n C3b2 C4b2 H42b2 1_555 1_555 109.3(5) n C5b2 C4b2 H41b2 1_555 1_555 109.3(3) n C5b2 C4b2 H42b2 1_555 1_555 109.3(3) n H41b2 C4b2 H42b2 1_555 1_555 109.3(4) n C4b2 C5b2 C6b2 1_555 1_555 109.48(14) n C4b2 C5b2 H51b2 1_555 1_555 109.5(3) n C4b2 C5b2 H52b2 1_555 1_555 109.5(3) n C6b2 C5b2 H51b2 1_555 1_555 109.4(5) n C6b2 C5b2 H52b2 1_555 1_555 109.5(5) n H51b2 C5b2 H52b2 1_555 1_555 109.5(4) n C5b2 C6b2 C7b2 1_555 1_555 110.40(14) n C5b2 C6b2 H61b2 1_555 1_555 109.3(5) n C5b2 C6b2 H62b2 1_555 1_555 109.3(5) n C7b2 C6b2 H61b2 1_555 1_555 109.3(3) n C7b2 C6b2 H62b2 1_555 1_555 109.3(4) n H61b2 C6b2 H62b2 1_555 1_555 109.3(4) n C6b2 C7b2 C8b2 1_555 1_555 109.34(14) n C6b2 C7b2 H71b2 1_555 1_555 109.5(3) n C6b2 C7b2 H72b2 1_555 1_555 109.5(3) n C8b2 C7b2 H71b2 1_555 1_555 109.6(5) n C8b2 C7b2 H72b2 1_555 1_555 109.5(5) n H71b2 C7b2 H72b2 1_555 1_555 109.5(4) n C7b2 C8b2 C9b2 1_555 1_555 110.39(14) n C7b2 C8b2 H81b2 1_555 1_555 109.4(5) n C7b2 C8b2 H82b2 1_555 1_555 109.2(5) n C9b2 C8b2 H81b2 1_555 1_555 109.3(3) n C9b2 C8b2 H82b2 1_555 1_555 109.1(3) n H81b2 C8b2 H82b2 1_555 1_555 109.4(4) n C8b2 C9b2 C10b2 1_555 1_555 109.31(14) n C8b2 C9b2 H91b2 1_555 1_555 109.7(3) n C8b2 C9b2 H92b2 1_555 1_555 109.4(4) n C10b2 C9b2 H91b2 1_555 1_555 109.5(5) n C10b2 C9b2 H92b2 1_555 1_555 109.5(5) n H91b2 C9b2 H92b2 1_555 1_555 109.4(4) n C9b2 C10b2 C11b2 1_555 1_555 110.59(14) n C9b2 C10b2 H101b2 1_555 1_555 109.2(5) n C9b2 C10b2 H102b2 1_555 1_555 109.2(5) n C11b2 C10b2 H101b2 1_555 1_555 109.2(4) n C11b2 C10b2 H102b2 1_555 1_555 109.3(4) n H101b2 C10b2 H102b2 1_555 1_555 109.3(4) n C10b2 C11b2 C12b2 1_555 1_555 109.32(14) n C10b2 C11b2 H111b2 1_555 1_555 109.5(4) n C10b2 C11b2 H112b2 1_555 1_555 109.5(4) n C12b2 C11b2 H111b2 1_555 1_555 109.5(5) n C12b2 C11b2 H112b2 1_555 1_555 109.5(5) n H111b2 C11b2 H112b2 1_555 1_555 109.5(4) n C11b2 C12b2 C13b2 1_555 1_555 110.42(13) n C11b2 C12b2 H121b2 1_555 1_555 109.3(5) n C11b2 C12b2 H122b2 1_555 1_555 109.2(5) n C13b2 C12b2 H121b2 1_555 1_555 109.3(3) n C13b2 C12b2 H122b2 1_555 1_555 109.2(4) n H121b2 C12b2 H122b2 1_555 1_555 109.3(4) n C12b2 C13b2 C14b2 1_555 1_555 109.66(14) n C12b2 C13b2 H131b2 1_555 1_555 109.5(4) n C12b2 C13b2 H132b2 1_555 1_555 109.4(4) n C14b2 C13b2 H131b2 1_555 1_555 109.4(5) n C14b2 C13b2 H132b2 1_555 1_555 109.4(5) n H131b2 C13b2 H132b2 1_555 1_555 109.4(4) n C13b2 C14b2 C15b2 1_555 1_555 109.96(14) n C13b2 C14b2 H141b2 1_555 1_555 109.4(5) n C13b2 C14b2 H142b2 1_555 1_555 109.3(5) n C15b2 C14b2 H141b2 1_555 1_555 109.4(3) n C15b2 C14b2 H142b2 1_555 1_555 109.4(4) n H141b2 C14b2 H142b2 1_555 1_555 109.4(4) n C14b2 C15b2 C16b2 1_555 1_555 110.05(15) n C14b2 C15b2 H151b2 1_555 1_555 109.4(4) n C14b2 C15b2 H152b2 1_555 1_555 109.4(4) n C16b2 C15b2 H151b2 1_555 1_555 109.4(5) n C16b2 C15b2 H152b2 1_555 1_555 109.4(5) n H151b2 C15b2 H152b2 1_555 1_555 109.3(4) n C15b2 C16b2 H161b2 1_555 1_555 109.5(5) n C15b2 C16b2 H162b2 1_555 1_555 109.5(5) n C15b2 C16b2 H163b2 1_555 1_555 109.5(4) n H161b2 C16b2 H162b2 1_555 1_555 109.5(4) n H161b2 C16b2 H163b2 1_555 1_555 109.4(5) n H162b2 C16b2 H163b2 1_555 1_555 109.5(6) n C22 C32 O1c2 1_555 1_555 109.91(17) n C22 C32 H312 1_555 1_555 109.4(5) n C22 C32 H322 1_555 1_555 109.4(5) n O1c2 C32 H312 1_555 1_555 109.4(5) n O1c2 C32 H322 1_555 1_555 109.3(5) n H312 C32 H322 1_555 1_555 109.4(6) n C32 O1c2 C1c2 1_555 1_555 117.03(19) n O1c2 C1c2 C2c2 1_555 1_555 110.87(17) n O1c2 C1c2 O2c2 1_555 1_555 124.3(3) n C2c2 C1c2 O2c2 1_555 1_555 124.4(3) n C1c2 C2c2 C3c2 1_555 1_555 109.88(16) n C1c2 C2c2 H21c2 1_555 1_555 109.4(3) n C1c2 C2c2 H22c2 1_555 1_555 109.4(4) n C3c2 C2c2 H21c2 1_555 1_555 109.4(5) n C3c2 C2c2 H22c2 1_555 1_555 109.4(4) n H21c2 C2c2 H22c2 1_555 1_555 109.4(6) n C2c2 C3c2 C4c2 1_555 1_555 110.11(16) n C2c2 C3c2 H31c2 1_555 1_555 109.3(5) n C2c2 C3c2 H32c2 1_555 1_555 109.3(4) n C4c2 C3c2 H31c2 1_555 1_555 109.3(4) n C4c2 C3c2 H32c2 1_555 1_555 109.4(4) n H31c2 C3c2 H32c2 1_555 1_555 109.4(5) n C3c2 C4c2 C5c2 1_555 1_555 109.81(16) n C3c2 C4c2 H41c2 1_555 1_555 109.4(4) n C3c2 C4c2 H42c2 1_555 1_555 109.4(4) n C5c2 C4c2 H41c2 1_555 1_555 109.4(4) n C5c2 C4c2 H42c2 1_555 1_555 109.4(5) n H41c2 C4c2 H42c2 1_555 1_555 109.4(5) n C4c2 C5c2 C6c2 1_555 1_555 110.23(16) n C4c2 C5c2 H51c2 1_555 1_555 109.3(4) n C4c2 C5c2 H52c2 1_555 1_555 109.3(5) n C6c2 C5c2 H51c2 1_555 1_555 109.3(4) n C6c2 C5c2 H52c2 1_555 1_555 109.3(4) n H51c2 C5c2 H52c2 1_555 1_555 109.3(5) n C5c2 C6c2 C7c2 1_555 1_555 109.80(16) n C5c2 C6c2 H61c2 1_555 1_555 109.4(4) n C5c2 C6c2 H62c2 1_555 1_555 109.4(4) n C7c2 C6c2 H61c2 1_555 1_555 109.4(4) n C7c2 C6c2 H62c2 1_555 1_555 109.4(5) n H61c2 C6c2 H62c2 1_555 1_555 109.4(5) n C6c2 C7c2 C8c2 1_555 1_555 110.19(16) n C6c2 C7c2 H71c2 1_555 1_555 109.3(4) n C6c2 C7c2 H72c2 1_555 1_555 109.4(5) n C8c2 C7c2 H71c2 1_555 1_555 109.3(4) n C8c2 C7c2 H72c2 1_555 1_555 109.3(4) n H71c2 C7c2 H72c2 1_555 1_555 109.3(5) n C7c2 C8c2 C9c2 1_555 1_555 109.78(16) n C7c2 C8c2 H81c2 1_555 1_555 109.4(4) n C7c2 C8c2 H82c2 1_555 1_555 109.4(4) n C9c2 C8c2 H81c2 1_555 1_555 109.4(4) n C9c2 C8c2 H82c2 1_555 1_555 109.4(5) n H81c2 C8c2 H82c2 1_555 1_555 109.4(5) n C8c2 C9c2 C10c2 1_555 1_555 110.16(16) n C8c2 C9c2 H91c2 1_555 1_555 109.3(5) n C8c2 C9c2 H92c2 1_555 1_555 109.3(4) n C10c2 C9c2 H91c2 1_555 1_555 109.3(4) n C10c2 C9c2 H92c2 1_555 1_555 109.4(4) n H91c2 C9c2 H92c2 1_555 1_555 109.3(5) n C9c2 C10c2 C11c2 1_555 1_555 109.84(16) n C9c2 C10c2 H101c2 1_555 1_555 109.4(4) n C9c2 C10c2 H102c2 1_555 1_555 109.4(4) n C11c2 C10c2 H101c2 1_555 1_555 109.4(5) n C11c2 C10c2 H102c2 1_555 1_555 109.4(4) n H101c2 C10c2 H102c2 1_555 1_555 109.4(5) n C10c2 C11c2 C12c2 1_555 1_555 110.27(16) n C10c2 C11c2 H111c2 1_555 1_555 109.3(5) n C10c2 C11c2 H112c2 1_555 1_555 109.3(4) n C12c2 C11c2 H111c2 1_555 1_555 109.3(4) n C12c2 C11c2 H112c2 1_555 1_555 109.3(4) n H111c2 C11c2 H112c2 1_555 1_555 109.3(5) n C11c2 C12c2 C13c2 1_555 1_555 109.98(16) n C11c2 C12c2 H121c2 1_555 1_555 109.3(4) n C11c2 C12c2 H122c2 1_555 1_555 109.4(4) n C13c2 C12c2 H121c2 1_555 1_555 109.4(4) n C13c2 C12c2 H122c2 1_555 1_555 109.4(5) n H121c2 C12c2 H122c2 1_555 1_555 109.4(5) n C12c2 C13c2 C14c2 1_555 1_555 110.19(16) n C12c2 C13c2 H131c2 1_555 1_555 109.4(4) n C12c2 C13c2 H132c2 1_555 1_555 109.3(5) n C14c2 C13c2 H131c2 1_555 1_555 109.3(4) n C14c2 C13c2 H132c2 1_555 1_555 109.3(4) n H131c2 C13c2 H132c2 1_555 1_555 109.3(5) n C13c2 C14c2 C15c2 1_555 1_555 110.06(16) n C13c2 C14c2 H141c2 1_555 1_555 109.4(5) n C13c2 C14c2 H142c2 1_555 1_555 109.4(4) n C15c2 C14c2 H141c2 1_555 1_555 109.3(4) n C15c2 C14c2 H142c2 1_555 1_555 109.3(5) n H141c2 C14c2 H142c2 1_555 1_555 109.4(5) n C14c2 C15c2 C16c2 1_555 1_555 110.02(16) n C14c2 C15c2 H151c2 1_555 1_555 109.4(4) n C14c2 C15c2 H152c2 1_555 1_555 109.4(5) n C16c2 C15c2 H151c2 1_555 1_555 109.3(4) n C16c2 C15c2 H152c2 1_555 1_555 109.3(4) n H151c2 C15c2 H152c2 1_555 1_555 109.3(5) n C15c2 C16c2 H161c2 1_555 1_555 109.5(4) n C15c2 C16c2 H162c2 1_555 1_555 109.5(5) n C15c2 C16c2 H163c2 1_555 1_555 109.5(3) n H161c2 C16c2 H162c2 1_555 1_555 109.5(5) n H161c2 C16c2 H163c2 1_555 1_555 109.4(6) n H162c2 C16c2 H163c2 1_555 1_555 109.4(4) n 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 O1a1 C1a1 1_555 1.330(13) n O1a1 C11 1_555 1.46(2) n C1a1 O1a1 1_555 1.330(13) n C1a1 C2a1 1_555 1.500(3) n C1a1 O2a1 1_555 1.200(3) n C2a1 C1a1 1_555 1.500(3) n C2a1 C3a1 1_555 1.520(3) n C2a1 H21a1 1_555 1.000(5) n C2a1 H22a1 1_555 1.000(4) n O2a1 C1a1 1_555 1.200(3) n C3a1 C2a1 1_555 1.520(3) n C3a1 C4a1 1_555 1.520(2) n C3a1 H31a1 1_555 1.000(5) n C3a1 H32a1 1_555 1.000(5) n C4a1 C3a1 1_555 1.520(2) n C4a1 C5a1 1_555 1.520(3) n C4a1 H41a1 1_555 1.000(5) n C4a1 H42a1 1_555 1.000(5) n C5a1 C4a1 1_555 1.520(3) n C5a1 C6a1 1_555 1.520(2) n C5a1 H51a1 1_555 1.000(5) n C5a1 H52a1 1_555 1.000(5) n C6a1 C5a1 1_555 1.520(2) n C6a1 C7a1 1_555 1.520(3) n C6a1 H61a1 1_555 1.000(5) n C6a1 H62a1 1_555 1.000(5) n C7a1 C6a1 1_555 1.520(3) n C7a1 C8a1 1_555 1.521(2) n C7a1 H71a1 1_555 1.000(5) n C7a1 H72a1 1_555 1.000(5) n C8a1 C7a1 1_555 1.521(2) n C8a1 C9a1 1_555 1.500(3) n C8a1 H81a1 1_555 1.000(5) n C8a1 H82a1 1_555 1.000(5) n C9a1 C8a1 1_555 1.500(3) n C9a1 C10a1 1_555 1.320(3) n C9a1 H91a1 1_555 1.000(6) n C10a1 C9a1 1_555 1.320(3) n C10a1 C11a1 1_555 1.500(3) n C10a1 H101a1 1_555 1.000(5) n C11a1 C10a1 1_555 1.500(3) n C11a1 C12a1 1_555 1.520(3) n C11a1 H111a1 1_555 1.000(5) n C11a1 H112a1 1_555 1.000(4) n C12a1 C11a1 1_555 1.520(3) n C12a1 C13a1 1_555 1.521(3) n C12a1 H121a1 1_555 1.000(5) n C12a1 H122a1 1_555 1.000(4) n C13a1 C12a1 1_555 1.521(3) n C13a1 C14a1 1_555 1.521(3) n C13a1 H131a1 1_555 1.000(5) n C13a1 H132a1 1_555 1.000(4) n C14a1 C13a1 1_555 1.521(3) n C14a1 C15a1 1_555 1.521(3) n C14a1 H141a1 1_555 1.000(5) n C14a1 H142a1 1_555 1.000(4) n C15a1 C14a1 1_555 1.521(3) n C15a1 C16a1 1_555 1.521(3) n C15a1 H151a1 1_555 1.000(5) n C15a1 H152a1 1_555 1.000(4) n C16a1 C15a1 1_555 1.521(3) n C16a1 C17a1 1_555 1.521(3) n C16a1 H161a1 1_555 1.000(5) n C16a1 H162a1 1_555 1.000(4) n C17a1 C16a1 1_555 1.521(3) n C17a1 C18a1 1_555 1.520(3) n C17a1 H171a1 1_555 1.000(5) n C17a1 H172a1 1_555 1.000(4) n C18a1 C17a1 1_555 1.520(3) n C18a1 H181a1 1_555 1.000(4) n C18a1 H182a1 1_555 1.000(5) n C18a1 H183a1 1_555 1.000(6) n C11 O1a1 1_555 1.46(2) n C11 C21 1_555 1.501(3) n C11 H111 1_555 1.000(5) n C11 H121 1_555 1.000(5) n C21 C11 1_555 1.501(3) n C21 O1b1 1_555 1.461(3) n C21 C31 1_555 1.500(3) n C21 H211 1_555 1.000(4) n O1b1 C21 1_555 1.461(3) n O1b1 C1b1 1_555 1.331(3) n C1b1 O1b1 1_555 1.331(3) n C1b1 C2b1 1_555 1.501(3) n C1b1 O2b1 1_555 1.200(4) n C2b1 C1b1 1_555 1.501(3) n C2b1 C3b1 1_555 1.520(3) n C2b1 H21b1 1_555 1.000(5) n C2b1 H22b1 1_555 1.000(5) n O2b1 C1b1 1_555 1.200(4) n C3b1 C2b1 1_555 1.520(3) n C3b1 C4b1 1_555 1.520(3) n C3b1 H31b1 1_555 1.000(5) n C3b1 H32b1 1_555 1.000(5) n C4b1 C3b1 1_555 1.520(3) n C4b1 C5b1 1_555 1.520(3) n C4b1 H41b1 1_555 1.000(5) n C4b1 H42b1 1_555 1.000(4) n C5b1 C4b1 1_555 1.520(3) n C5b1 C6b1 1_555 1.520(3) n C5b1 H51b1 1_555 1.000(4) n C5b1 H52b1 1_555 1.000(5) n C6b1 C5b1 1_555 1.520(3) n C6b1 C7b1 1_555 1.521(3) n C6b1 H61b1 1_555 1.000(4) n C6b1 H62b1 1_555 1.000(5) n C7b1 C6b1 1_555 1.521(3) n C7b1 C8b1 1_555 1.520(3) n C7b1 H71b1 1_555 1.000(4) n C7b1 H72b1 1_555 1.000(5) n C8b1 C7b1 1_555 1.520(3) n C8b1 C9b1 1_555 1.520(3) n C8b1 H81b1 1_555 1.000(4) n C8b1 H82b1 1_555 1.000(5) n C9b1 C8b1 1_555 1.520(3) n C9b1 C10b1 1_555 1.520(3) n C9b1 H91b1 1_555 1.000(4) n C9b1 H92b1 1_555 1.000(5) n C10b1 C9b1 1_555 1.520(3) n C10b1 C11b1 1_555 1.520(3) n C10b1 H101b1 1_555 1.000(5) n C10b1 H102b1 1_555 1.000(4) n C11b1 C10b1 1_555 1.520(3) n C11b1 C12b1 1_555 1.521(3) n C11b1 H111b1 1_555 1.000(5) n C11b1 H112b1 1_555 1.000(4) n C12b1 C11b1 1_555 1.521(3) n C12b1 C13b1 1_555 1.521(3) n C12b1 H121b1 1_555 1.000(4) n C12b1 H122b1 1_555 1.000(5) n C13b1 C12b1 1_555 1.521(3) n C13b1 C14b1 1_555 1.521(3) n C13b1 H131b1 1_555 1.000(4) n C13b1 H132b1 1_555 1.000(5) n C14b1 C13b1 1_555 1.521(3) n C14b1 C15b1 1_555 1.521(3) n C14b1 H141b1 1_555 1.000(4) n C14b1 H142b1 1_555 1.000(5) n C15b1 C14b1 1_555 1.521(3) n C15b1 C16b1 1_555 1.521(3) n C15b1 H151b1 1_555 1.000(4) n C15b1 H152b1 1_555 1.000(5) n C16b1 C15b1 1_555 1.521(3) n C16b1 H161b1 1_555 1.000(5) n C16b1 H162b1 1_555 1.000(4) n C16b1 H163b1 1_555 1.000(5) n C31 C21 1_555 1.500(3) n C31 O1c1 1_555 1.460(3) n C31 H311 1_555 1.000(6) n C31 H321 1_555 1.000(5) n O1c1 C31 1_555 1.460(3) n O1c1 C1c1 1_555 1.330(3) n C1c1 O1c1 1_555 1.330(3) n C1c1 C2c1 1_555 1.500(3) n C1c1 O2c1 1_555 1.200(3) n C2c1 C1c1 1_555 1.500(3) n C2c1 C3c1 1_555 1.520(3) n C2c1 H21c1 1_555 1.000(4) n C2c1 H22c1 1_555 1.000(5) n O2c1 C1c1 1_555 1.200(3) n C3c1 C2c1 1_555 1.520(3) n C3c1 C4c1 1_555 1.520(3) n C3c1 H31c1 1_555 1.000(4) n C3c1 H32c1 1_555 1.000(5) n C4c1 C3c1 1_555 1.520(3) n C4c1 C5c1 1_555 1.520(3) n C4c1 H41c1 1_555 1.000(5) n C4c1 H42c1 1_555 1.000(4) n C5c1 C4c1 1_555 1.520(3) n C5c1 C6c1 1_555 1.520(3) n C5c1 H51c1 1_555 1.000(5) n C5c1 H52c1 1_555 1.000(4) n C6c1 C5c1 1_555 1.520(3) n C6c1 C7c1 1_555 1.520(3) n C6c1 H61c1 1_555 1.000(5) n C6c1 H62c1 1_555 1.000(4) n C7c1 C6c1 1_555 1.520(3) n C7c1 C8c1 1_555 1.520(3) n C7c1 H71c1 1_555 1.000(5) n C7c1 H72c1 1_555 1.000(4) n C8c1 C7c1 1_555 1.520(3) n C8c1 C9c1 1_555 1.520(3) n C8c1 H81c1 1_555 1.000(5) n C8c1 H82c1 1_555 1.000(4) n C9c1 C8c1 1_555 1.520(3) n C9c1 C10c1 1_555 1.520(3) n C9c1 H91c1 1_555 1.000(4) n C9c1 H92c1 1_555 1.000(5) n C10c1 C9c1 1_555 1.520(3) n C10c1 C11c1 1_555 1.520(3) n C10c1 H101c1 1_555 1.000(4) n C10c1 H102c1 1_555 1.000(5) n C11c1 C10c1 1_555 1.520(3) n C11c1 C12c1 1_555 1.520(3) n C11c1 H111c1 1_555 1.000(4) n C11c1 H112c1 1_555 1.000(5) n C12c1 C11c1 1_555 1.520(3) n C12c1 C13c1 1_555 1.520(3) n C12c1 H121c1 1_555 1.000(5) n C12c1 H122c1 1_555 1.000(4) n C13c1 C12c1 1_555 1.520(3) n C13c1 C14c1 1_555 1.520(3) n C13c1 H131c1 1_555 1.000(5) n C13c1 H132c1 1_555 1.000(4) n C14c1 C13c1 1_555 1.520(3) n C14c1 C15c1 1_555 1.521(3) n C14c1 H141c1 1_555 1.000(5) n C14c1 H142c1 1_555 1.000(4) n C15c1 C14c1 1_555 1.521(3) n C15c1 C16c1 1_555 1.520(3) n C15c1 H151c1 1_555 1.000(5) n C15c1 H152c1 1_555 1.000(4) n C16c1 C15c1 1_555 1.520(3) n C16c1 H161c1 1_555 1.000(5) n C16c1 H162c1 1_555 1.000(5) n C16c1 H163c1 1_555 1.000(6) n H181a1 C18a1 1_555 1.000(4) n H182a1 C18a1 1_555 1.000(5) n H183a1 C18a1 1_555 1.000(6) n H171a1 C17a1 1_555 1.000(5) n H172a1 C17a1 1_555 1.000(4) n H161a1 C16a1 1_555 1.000(5) n H162a1 C16a1 1_555 1.000(4) n H151a1 C15a1 1_555 1.000(5) n H152a1 C15a1 1_555 1.000(4) n H141a1 C14a1 1_555 1.000(5) n H142a1 C14a1 1_555 1.000(4) n H131a1 C13a1 1_555 1.000(5) n H132a1 C13a1 1_555 1.000(4) n H121a1 C12a1 1_555 1.000(5) n H122a1 C12a1 1_555 1.000(4) n H111a1 C11a1 1_555 1.000(5) n H112a1 C11a1 1_555 1.000(4) n H101a1 C10a1 1_555 1.000(5) n H91a1 C9a1 1_555 1.000(6) n H81a1 C8a1 1_555 1.000(5) n H82a1 C8a1 1_555 1.000(5) n H71a1 C7a1 1_555 1.000(5) n H72a1 C7a1 1_555 1.000(5) n H61a1 C6a1 1_555 1.000(5) n H62a1 C6a1 1_555 1.000(5) n H51a1 C5a1 1_555 1.000(5) n H52a1 C5a1 1_555 1.000(5) n H41a1 C4a1 1_555 1.000(5) n H42a1 C4a1 1_555 1.000(5) n H31a1 C3a1 1_555 1.000(5) n H32a1 C3a1 1_555 1.000(5) n H21a1 C2a1 1_555 1.000(5) n H22a1 C2a1 1_555 1.000(4) n H111 C11 1_555 1.000(5) n H121 C11 1_555 1.000(5) n H161b1 C16b1 1_555 1.000(5) n H162b1 C16b1 1_555 1.000(4) n H163b1 C16b1 1_555 1.000(5) n H151b1 C15b1 1_555 1.000(4) n H152b1 C15b1 1_555 1.000(5) n H141b1 C14b1 1_555 1.000(4) n H142b1 C14b1 1_555 1.000(5) n H131b1 C13b1 1_555 1.000(4) n H132b1 C13b1 1_555 1.000(5) n H121b1 C12b1 1_555 1.000(4) n H122b1 C12b1 1_555 1.000(5) n H111b1 C11b1 1_555 1.000(5) n H112b1 C11b1 1_555 1.000(4) n H101b1 C10b1 1_555 1.000(5) n H102b1 C10b1 1_555 1.000(4) n H91b1 C9b1 1_555 1.000(4) n H92b1 C9b1 1_555 1.000(5) n H81b1 C8b1 1_555 1.000(4) n H82b1 C8b1 1_555 1.000(5) n H71b1 C7b1 1_555 1.000(4) n H72b1 C7b1 1_555 1.000(5) n H61b1 C6b1 1_555 1.000(4) n H62b1 C6b1 1_555 1.000(5) n H51b1 C5b1 1_555 1.000(4) n H52b1 C5b1 1_555 1.000(5) n H41b1 C4b1 1_555 1.000(5) n H42b1 C4b1 1_555 1.000(4) n H31b1 C3b1 1_555 1.000(5) n H32b1 C3b1 1_555 1.000(5) n H21b1 C2b1 1_555 1.000(5) n H22b1 C2b1 1_555 1.000(5) n H211 C21 1_555 1.000(4) n H161c1 C16c1 1_555 1.000(5) n H162c1 C16c1 1_555 1.000(5) n H163c1 C16c1 1_555 1.000(6) n H151c1 C15c1 1_555 1.000(5) n H152c1 C15c1 1_555 1.000(4) n H141c1 C14c1 1_555 1.000(5) n H142c1 C14c1 1_555 1.000(4) n H131c1 C13c1 1_555 1.000(5) n H132c1 C13c1 1_555 1.000(4) n H121c1 C12c1 1_555 1.000(5) n H122c1 C12c1 1_555 1.000(4) n H111c1 C11c1 1_555 1.000(4) n H112c1 C11c1 1_555 1.000(5) n H101c1 C10c1 1_555 1.000(4) n H102c1 C10c1 1_555 1.000(5) n H91c1 C9c1 1_555 1.000(4) n H92c1 C9c1 1_555 1.000(5) n H81c1 C8c1 1_555 1.000(5) n H82c1 C8c1 1_555 1.000(4) n H71c1 C7c1 1_555 1.000(5) n H72c1 C7c1 1_555 1.000(4) n H61c1 C6c1 1_555 1.000(5) n H62c1 C6c1 1_555 1.000(4) n H51c1 C5c1 1_555 1.000(5) n H52c1 C5c1 1_555 1.000(4) n H41c1 C4c1 1_555 1.000(5) n H42c1 C4c1 1_555 1.000(4) n H31c1 C3c1 1_555 1.000(4) n H32c1 C3c1 1_555 1.000(5) n H21c1 C2c1 1_555 1.000(4) n H22c1 C2c1 1_555 1.000(5) n H311 C31 1_555 1.000(6) n H321 C31 1_555 1.000(5) n O1a2 C1a2 1_555 1.330(3) n O1a2 C12 1_555 1.461(3) n C1a2 O1a2 1_555 1.330(3) n C1a2 C2a2 1_555 1.500(3) n C1a2 O2a2 1_555 1.200(2) n C2a2 C1a2 1_555 1.500(3) n C2a2 C3a2 1_555 1.519(3) n C2a2 H21a2 1_555 1.000(6) n C2a2 H22a2 1_555 1.000(5) n O2a2 C1a2 1_555 1.200(2) n C3a2 C2a2 1_555 1.519(3) n C3a2 C4a2 1_555 1.519(3) n C3a2 H31a2 1_555 1.001(5) n C3a2 H32a2 1_555 0.999(5) n C4a2 C3a2 1_555 1.519(3) n C4a2 C5a2 1_555 1.517(2) n C4a2 H41a2 1_555 1.002(6) n C4a2 H42a2 1_555 0.999(5) n C5a2 C4a2 1_555 1.517(2) n C5a2 C6a2 1_555 1.519(3) n C5a2 H51a2 1_555 1.000(6) n C5a2 H52a2 1_555 1.000(5) n C6a2 C5a2 1_555 1.519(3) n C6a2 C7a2 1_555 1.517(2) n C6a2 H61a2 1_555 0.997(6) n C6a2 H62a2 1_555 1.001(5) n C7a2 C6a2 1_555 1.517(2) n C7a2 C8a2 1_555 1.518(3) n C7a2 H71a2 1_555 1.005(6) n C7a2 H72a2 1_555 0.998(5) n C8a2 C7a2 1_555 1.518(3) n C8a2 C9a2 1_555 1.497(3) n C8a2 H81a2 1_555 0.999(5) n C8a2 H82a2 1_555 1.001(5) n C9a2 C8a2 1_555 1.497(3) n C9a2 C10a2 1_555 1.316(3) n C9a2 H91a2 1_555 1.000(5) n C10a2 C9a2 1_555 1.316(3) n C10a2 C11a2 1_555 1.498(2) n C10a2 H101a2 1_555 1.001(5) n C11a2 C10a2 1_555 1.498(2) n C11a2 C12a2 1_555 1.517(3) n C11a2 H111a2 1_555 0.995(6) n C11a2 H112a2 1_555 1.005(5) n C12a2 C11a2 1_555 1.517(3) n C12a2 C13a2 1_555 1.518(2) n C12a2 H121a2 1_555 1.001(5) n C12a2 H122a2 1_555 0.999(5) n C13a2 C12a2 1_555 1.518(2) n C13a2 C14a2 1_555 1.520(3) n C13a2 H131a2 1_555 1.000(5) n C13a2 H132a2 1_555 0.999(5) n C14a2 C13a2 1_555 1.520(3) n C14a2 C15a2 1_555 1.520(2) n C14a2 H141a2 1_555 1.000(5) n C14a2 H142a2 1_555 1.000(5) n C15a2 C14a2 1_555 1.520(2) n C15a2 C16a2 1_555 1.521(3) n C15a2 H151a2 1_555 1.000(5) n C15a2 H152a2 1_555 1.000(5) n C16a2 C15a2 1_555 1.521(3) n C16a2 C17a2 1_555 1.520(2) n C16a2 H161a2 1_555 1.000(5) n C16a2 H162a2 1_555 1.000(5) n C17a2 C16a2 1_555 1.520(2) n C17a2 C18a2 1_555 1.521(3) n C17a2 H171a2 1_555 1.000(5) n C17a2 H172a2 1_555 1.000(5) n C18a2 C17a2 1_555 1.521(3) n C18a2 H181a2 1_555 1.000(5) n C18a2 H182a2 1_555 1.000(5) n C18a2 H183a2 1_555 1.000(5) n C12 O1a2 1_555 1.461(3) n C12 C22 1_555 1.501(3) n C12 H112 1_555 1.000(6) n C12 H122 1_555 1.000(6) n C22 C12 1_555 1.501(3) n C22 O1b2 1_555 1.460(3) n C22 C32 1_555 1.500(3) n C22 H212 1_555 1.000(5) n O1b2 C22 1_555 1.460(3) n O1b2 C1b2 1_555 1.330(2) n C1b2 O1b2 1_555 1.330(2) n C1b2 C2b2 1_555 1.500(2) n C1b2 O2b2 1_555 1.200(3) n C2b2 C1b2 1_555 1.500(2) n C2b2 C3b2 1_555 1.520(2) n C2b2 H21b2 1_555 1.000(5) n C2b2 H22b2 1_555 1.000(6) n O2b2 C1b2 1_555 1.200(3) n C3b2 C2b2 1_555 1.520(2) n C3b2 C4b2 1_555 1.520(3) n C3b2 H31b2 1_555 1.000(5) n C3b2 H32b2 1_555 1.000(6) n C4b2 C3b2 1_555 1.520(3) n C4b2 C5b2 1_555 1.520(2) n C4b2 H41b2 1_555 1.000(5) n C4b2 H42b2 1_555 1.000(6) n C5b2 C4b2 1_555 1.520(2) n C5b2 C6b2 1_555 1.519(3) n C5b2 H51b2 1_555 1.000(6) n C5b2 H52b2 1_555 1.000(5) n C6b2 C5b2 1_555 1.519(3) n C6b2 C7b2 1_555 1.520(2) n C6b2 H61b2 1_555 1.000(5) n C6b2 H62b2 1_555 1.000(5) n C7b2 C6b2 1_555 1.520(2) n C7b2 C8b2 1_555 1.520(3) n C7b2 H71b2 1_555 1.000(5) n C7b2 H72b2 1_555 1.000(5) n C8b2 C7b2 1_555 1.520(3) n C8b2 C9b2 1_555 1.520(2) n C8b2 H81b2 1_555 0.999(5) n C8b2 H82b2 1_555 1.000(5) n C9b2 C8b2 1_555 1.520(2) n C9b2 C10b2 1_555 1.520(3) n C9b2 H91b2 1_555 1.000(5) n C9b2 H92b2 1_555 1.000(5) n C10b2 C9b2 1_555 1.520(3) n C10b2 C11b2 1_555 1.520(2) n C10b2 H101b2 1_555 1.000(5) n C10b2 H102b2 1_555 1.000(5) n C11b2 C10b2 1_555 1.520(2) n C11b2 C12b2 1_555 1.520(3) n C11b2 H111b2 1_555 1.000(5) n C11b2 H112b2 1_555 1.000(5) n C12b2 C11b2 1_555 1.520(3) n C12b2 C13b2 1_555 1.520(2) n C12b2 H121b2 1_555 1.000(5) n C12b2 H122b2 1_555 1.000(5) n C13b2 C12b2 1_555 1.520(2) n C13b2 C14b2 1_555 1.521(3) n C13b2 H131b2 1_555 1.000(5) n C13b2 H132b2 1_555 1.000(5) n C14b2 C13b2 1_555 1.521(3) n C14b2 C15b2 1_555 1.520(2) n C14b2 H141b2 1_555 1.000(5) n C14b2 H142b2 1_555 1.000(5) n C15b2 C14b2 1_555 1.520(2) n C15b2 C16b2 1_555 1.520(3) n C15b2 H151b2 1_555 1.000(5) n C15b2 H152b2 1_555 1.000(5) n C16b2 C15b2 1_555 1.520(3) n C16b2 H161b2 1_555 1.000(5) n C16b2 H162b2 1_555 1.000(5) n C16b2 H163b2 1_555 1.000(4) n C32 C22 1_555 1.500(3) n C32 O1c2 1_555 1.460(3) n C32 H312 1_555 1.000(3) n C32 H322 1_555 1.000(5) n O1c2 C32 1_555 1.460(3) n O1c2 C1c2 1_555 1.330(3) n C1c2 O1c2 1_555 1.330(3) n C1c2 C2c2 1_555 1.500(3) n C1c2 O2c2 1_555 1.200(3) n C2c2 C1c2 1_555 1.500(3) n C2c2 C3c2 1_555 1.520(3) n C2c2 H21c2 1_555 1.000(5) n C2c2 H22c2 1_555 1.000(4) n O2c2 C1c2 1_555 1.200(3) n C3c2 C2c2 1_555 1.520(3) n C3c2 C4c2 1_555 1.520(3) n C3c2 H31c2 1_555 1.000(5) n C3c2 H32c2 1_555 1.000(5) n C4c2 C3c2 1_555 1.520(3) n C4c2 C5c2 1_555 1.520(3) n C4c2 H41c2 1_555 1.000(5) n C4c2 H42c2 1_555 1.000(5) n C5c2 C4c2 1_555 1.520(3) n C5c2 C6c2 1_555 1.520(3) n C5c2 H51c2 1_555 1.000(5) n C5c2 H52c2 1_555 1.000(5) n C6c2 C5c2 1_555 1.520(3) n C6c2 C7c2 1_555 1.520(3) n C6c2 H61c2 1_555 1.000(5) n C6c2 H62c2 1_555 1.000(5) n C7c2 C6c2 1_555 1.520(3) n C7c2 C8c2 1_555 1.520(3) n C7c2 H71c2 1_555 1.000(5) n C7c2 H72c2 1_555 1.000(5) n C8c2 C7c2 1_555 1.520(3) n C8c2 C9c2 1_555 1.520(3) n C8c2 H81c2 1_555 1.000(5) n C8c2 H82c2 1_555 1.000(5) n C9c2 C8c2 1_555 1.520(3) n C9c2 C10c2 1_555 1.520(3) n C9c2 H91c2 1_555 1.000(5) n C9c2 H92c2 1_555 1.000(5) n C10c2 C9c2 1_555 1.520(3) n C10c2 C11c2 1_555 1.521(3) n C10c2 H101c2 1_555 1.000(5) n C10c2 H102c2 1_555 1.000(5) n C11c2 C10c2 1_555 1.521(3) n C11c2 C12c2 1_555 1.521(3) n C11c2 H111c2 1_555 1.000(5) n C11c2 H112c2 1_555 1.000(5) n C12c2 C11c2 1_555 1.521(3) n C12c2 C13c2 1_555 1.521(3) n C12c2 H121c2 1_555 1.000(5) n C12c2 H122c2 1_555 1.000(5) n C13c2 C12c2 1_555 1.521(3) n C13c2 C14c2 1_555 1.521(3) n C13c2 H131c2 1_555 1.000(5) n C13c2 H132c2 1_555 1.000(5) n C14c2 C13c2 1_555 1.521(3) n C14c2 C15c2 1_555 1.521(3) n C14c2 H141c2 1_555 1.000(5) n C14c2 H142c2 1_555 1.000(5) n C15c2 C14c2 1_555 1.521(3) n C15c2 C16c2 1_555 1.520(3) n C15c2 H151c2 1_555 1.000(5) n C15c2 H152c2 1_555 1.000(5) n C16c2 C15c2 1_555 1.520(3) n C16c2 H161c2 1_555 1.000(5) n C16c2 H162c2 1_555 1.000(5) n C16c2 H163c2 1_555 1.000(6) n H181a2 C18a2 1_555 1.000(5) n H182a2 C18a2 1_555 1.000(5) n H183a2 C18a2 1_555 1.000(5) n H171a2 C17a2 1_555 1.000(5) n H172a2 C17a2 1_555 1.000(5) n H161a2 C16a2 1_555 1.000(5) n H162a2 C16a2 1_555 1.000(5) n H151a2 C15a2 1_555 1.000(5) n H152a2 C15a2 1_555 1.000(5) n H141a2 C14a2 1_555 1.000(5) n H142a2 C14a2 1_555 1.000(5) n H131a2 C13a2 1_555 1.000(5) n H132a2 C13a2 1_555 0.999(5) n H121a2 C12a2 1_555 1.001(5) n H122a2 C12a2 1_555 0.999(5) n H111a2 C11a2 1_555 0.995(6) n H112a2 C11a2 1_555 1.005(5) n H101a2 C10a2 1_555 1.001(5) n H91a2 C9a2 1_555 1.000(5) n H81a2 C8a2 1_555 0.999(5) n H82a2 C8a2 1_555 1.001(5) n H71a2 C7a2 1_555 1.005(6) n H72a2 C7a2 1_555 0.998(5) n H61a2 C6a2 1_555 0.997(6) n H62a2 C6a2 1_555 1.001(5) n H51a2 C5a2 1_555 1.000(6) n H52a2 C5a2 1_555 1.000(5) n H41a2 C4a2 1_555 1.002(6) n H42a2 C4a2 1_555 0.999(5) n H31a2 C3a2 1_555 1.001(5) n H32a2 C3a2 1_555 0.999(5) n H21a2 C2a2 1_555 1.000(6) n H22a2 C2a2 1_555 1.000(5) n H112 C12 1_555 1.000(6) n H122 C12 1_555 1.000(6) n H161b2 C16b2 1_555 1.000(5) n H162b2 C16b2 1_555 1.000(5) n H163b2 C16b2 1_555 1.000(4) n H151b2 C15b2 1_555 1.000(5) n H152b2 C15b2 1_555 1.000(5) n H141b2 C14b2 1_555 1.000(5) n H142b2 C14b2 1_555 1.000(5) n H131b2 C13b2 1_555 1.000(5) n H132b2 C13b2 1_555 1.000(5) n H121b2 C12b2 1_555 1.000(5) n H122b2 C12b2 1_555 1.000(5) n H111b2 C11b2 1_555 1.000(5) n H112b2 C11b2 1_555 1.000(5) n H101b2 C10b2 1_555 1.000(5) n H102b2 C10b2 1_555 1.000(5) n H91b2 C9b2 1_555 1.000(5) n H92b2 C9b2 1_555 1.000(5) n H81b2 C8b2 1_555 0.999(5) n H82b2 C8b2 1_555 1.000(5) n H71b2 C7b2 1_555 1.000(5) n H72b2 C7b2 1_555 1.000(5) n H61b2 C6b2 1_555 1.000(5) n H62b2 C6b2 1_555 1.000(5) n H51b2 C5b2 1_555 1.000(6) n H52b2 C5b2 1_555 1.000(5) n H41b2 C4b2 1_555 1.000(5) n H42b2 C4b2 1_555 1.000(6) n H31b2 C3b2 1_555 1.000(5) n H32b2 C3b2 1_555 1.000(6) n H21b2 C2b2 1_555 1.000(5) n H22b2 C2b2 1_555 1.000(6) n H212 C22 1_555 1.000(5) n H161c2 C16c2 1_555 1.000(5) n H162c2 C16c2 1_555 1.000(5) n H163c2 C16c2 1_555 1.000(6) n H151c2 C15c2 1_555 1.000(5) n H152c2 C15c2 1_555 1.000(5) n H141c2 C14c2 1_555 1.000(5) n H142c2 C14c2 1_555 1.000(5) n H131c2 C13c2 1_555 1.000(5) n H132c2 C13c2 1_555 1.000(5) n H121c2 C12c2 1_555 1.000(5) n H122c2 C12c2 1_555 1.000(5) n H111c2 C11c2 1_555 1.000(5) n H112c2 C11c2 1_555 1.000(5) n H101c2 C10c2 1_555 1.000(5) n H102c2 C10c2 1_555 1.000(5) n H91c2 C9c2 1_555 1.000(5) n H92c2 C9c2 1_555 1.000(5) n H81c2 C8c2 1_555 1.000(5) n H82c2 C8c2 1_555 1.000(5) n H71c2 C7c2 1_555 1.000(5) n H72c2 C7c2 1_555 1.000(5) n H61c2 C6c2 1_555 1.000(5) n H62c2 C6c2 1_555 1.000(5) n H51c2 C5c2 1_555 1.000(5) n H52c2 C5c2 1_555 1.000(5) n H41c2 C4c2 1_555 1.000(5) n H42c2 C4c2 1_555 1.000(5) n H31c2 C3c2 1_555 1.000(5) n H32c2 C3c2 1_555 1.000(5) n H21c2 C2c2 1_555 1.000(5) n H22c2 C2c2 1_555 1.000(4) n H312 C32 1_555 1.000(3) n H322 C32 1_555 1.000(5) n loop_ _refln_index_h _refln_index_k _refln_index_l 0 0 2 1 0 1 1 0 -1 1 0 -3 0 0 4 1 0 3 1 0 -5 1 0 5 0 0 6 1 0 -7 1 0 7 2 0 2 2 0 -2 2 0 -4 2 0 4 2 0 0 2 0 -6 0 0 8 2 0 6 1 0 -9 2 0 -8 1 0 9 2 0 8 0 0 10 2 0 -10 1 0 -11 3 0 -5 2 0 10 3 0 -3 1 0 11 3 0 -7 3 0 3 3 0 -1 3 0 5 3 0 1 3 0 -9 3 0 7 2 0 -12 0 0 12 2 0 12 3 0 -11 3 0 9 1 0 -13 1 0 13 3 0 11 2 0 -14 3 0 -13 0 0 14 2 0 14 1 0 -15 0 1 1 4 0 -8 4 0 -6 3 0 13 4 0 -4 1 0 15 4 0 6 4 0 8 4 0 4 4 0 -10 0 1 3 4 0 2 2 0 -16 4 0 0 3 0 -15 4 0 -2 1 1 0 1 1 -2 1 1 2 4 0 10 2 0 16 0 1 5 4 0 -12 1 1 -4 3 0 15 1 1 4 0 0 16 4 0 12 1 0 -17 4 0 -14 1 0 17 1 1 6 1 1 -6 0 1 7 3 0 -17 2 1 -1 2 1 1 2 0 -18 2 1 -3 4 0 14 2 1 3 4 0 -16 1 1 -8 2 0 18 3 0 17 2 1 -5 0 0 18 1 1 8 2 1 5 5 0 -9 0 1 9 5 0 -5 5 0 7 3 0 -19 5 0 -7 4 0 16 2 1 -7 5 0 5 2 1 7 5 0 -11 1 0 -19 5 0 9 5 0 -3 5 0 3 1 0 19 2 1 -9 5 0 -1 1 1 10 3 0 19 5 0 -13 1 1 -10 4 0 -18 5 0 1 5 0 11 2 0 -20 2 1 9 3 1 0 3 1 -2 0 1 11 5 0 -15 2 0 20 3 1 2 3 1 4 3 1 -4 5 0 13 0 0 20 2 1 -11 3 1 -6 4 0 18 3 1 6 2 1 11 4 0 -20 3 0 -21 1 1 -12 3 1 -8 1 0 -21 1 0 21 5 0 -17 3 1 8 1 1 12 5 0 15 3 1 -10 2 0 -22 3 0 21 3 1 10 4 0 20 2 1 -13 2 0 22 5 0 -19 0 1 13 2 1 13 3 1 -12 6 0 -8 5 0 17 1 1 -14 6 0 -10 0 0 22 3 1 12 6 0 -14 4 0 -22 6 0 -6 1 1 14 6 0 8 6 0 -12 6 0 4 3 0 -23 3 1 -14 2 1 -15 5 0 -21 6 0 6 6 0 12 4 1 -5 4 1 -9 6 0 -16 6 0 10 4 1 5 4 1 -7 6 0 -4 5 0 19 1 0 -23 6 0 2 1 0 23 4 1 3 4 1 -3 4 1 9 4 1 7 6 0 -2 4 1 -11 6 0 0 4 1 -1 6 0 14 2 1 15 4 1 1 2 0 -24 3 0 23 6 0 -18 4 0 22 0 1 15 3 1 14 4 0 -24 4 1 11 4 1 -13 2 0 24 5 0 21 1 1 -16 6 0 16 3 1 -16 1 1 16 0 0 24 3 0 -25 2 1 -17 4 1 13 5 0 -23 4 1 -15 2 1 17 3 1 16 6 0 18 4 0 24 1 0 -25 1 0 25 6 0 -20 3 0 25 3 1 -18 4 1 15 4 1 -17 1 1 18 0 1 17 5 0 -25 2 0 26 7 0 -13 5 1 -10 4 0 -26 2 0 -26 3 1 18 5 1 -6 1 1 -18 6 0 -22 5 1 8 7 0 -9 5 0 23 5 1 -8 2 1 -19 7 0 -15 5 1 6 7 0 -11 5 1 -14 5 1 -12 5 1 12 5 1 4 5 1 10 7 0 11 3 0 -27 2 1 19 7 0 7 7 0 -7 7 0 -17 6 0 20 5 1 -4 0 0 26 5 1 2 7 0 -5 7 0 9 5 1 -16 7 0 13 4 1 17 6 0 -24 7 0 5 7 0 3 3 1 -20 4 1 -19 5 1 14 4 0 26 7 0 -19 5 0 25 4 0 -28 5 1 -2 5 1 0 3 0 27 7 0 15 7 0 -1 1 0 -27 1 1 -20 7 0 -3 1 0 27 2 1 -21 1 1 20 7 0 1 6 0 22 0 1 19 3 1 20 2 0 -28 5 0 -27 5 1 16 7 0 -21 2 1 21 4 1 19 4 1 -21 7 0 17 2 0 28 5 1 -18 3 1 -22 7 0 -23 4 0 28 6 0 24 0 0 28 6 0 -26 7 0 19 3 0 -29 6 1 -13 6 1 -9 3 1 22 4 1 21 5 0 -29 5 1 -20 3 0 29 1 1 22 6 1 -11 6 1 7 5 1 18 0 1 21 6 1 11 6 1 -7 5 0 27 6 1 -15 1 0 -29 1 0 29 1 1 -22 2 1 -23 6 1 9 4 0 -30 6 1 5 7 0 21 6 1 -5 8 0 -14 4 1 -23 6 1 13 6 0 -28 2 1 23 6 1 3 6 1 -17 5 1 -22 8 0 -16 2 0 -30 3 1 -24 0 2 0 8 0 -10 7 0 -25 5 1 20 0 2 2 8 0 -12 8 0 10 6 1 15 7 0 23 8 0 -18 1 2 -1 3 0 -31 1 2 1 0 2 4 6 1 -19 6 0 26 6 1 -3 2 0 30 1 2 -3 8 0 12 6 1 1 1 2 3 5 0 29 8 0 6 0 1 23 8 0 8 8 0 -8 4 0 30 4 1 23 0 2 6 8 0 -20 1 2 -5 3 1 24 5 1 -24 8 0 -6 2 1 -25 1 2 5 4 1 -25 8 0 14 6 1 17 6 1 -1 7 0 -27 1 1 -24 5 0 -31 0 0 30 1 1 24 5 1 22 8 0 -4 6 1 -21 2 2 0 8 0 4 2 2 -2 1 2 -7 3 0 31 2 2 2 2 1 25 8 0 2 8 0 -22 8 0 16 1 2 7 3 1 -26 8 0 -2 8 0 0 6 0 28 4 0 -32 6 0 -30 6 1 19 1 0 -31 1 0 31 0 2 8 7 1 -16 8 0 18 6 1 -23 8 0 -24 7 1 -12 4 1 25 2 2 -4 7 0 25 5 1 24 2 2 4 3 1 26 7 1 12 7 1 -14 7 1 8 2 0 32 7 1 -8 0 1 25 2 2 -6 7 1 -18 7 1 -10 2 0 -32 1 2 -9 7 1 10 6 1 21 8 0 20 2 2 6 5 1 -26 1 2 9 7 1 14 0 2 10 7 1 6 1 1 -26 3 0 -33 5 0 31 1 1 26 7 0 -29 4 1 -27 7 1 -6 6 0 -32 2 2 -8 7 1 -20 2 1 -27 4 0 32 0 0 32 7 1 4 7 1 16 3 2 -1 2 2 8 3 2 1 1 2 -11 5 0 -33 3 2 -3 4 1 27 3 2 3 2 1 27 1 2 11 7 1 -4 6 1 23 3 1 -28 0 2 12 3 2 -5 7 1 -22 2 2 -10 6 1 -25 7 1 2 9 0 -13 3 0 33 9 0 -15 1 0 33 1 0 -33 5 1 -28 7 1 18 3 2 5 2 2 10 3 2 -7 9 0 -17 4 0 -34 5 1 26 7 1 -2 7 1 0 4 1 -29 0 1 27 9 0 -19 9 0 -11 2 0 -34 3 2 7 3 1 28 9 0 15 9 0 -9 2 2 -12 9 0 9 6 1 25 7 1 20 1 1 28 3 2 -9 9 0 11 6 1 -27 4 0 34 1 2 -13 2 0 34 9 0 13 2 2 12 1 1 -28 1 2 13 3 2 9 3 1 -30 9 0 7 9 0 5 7 1 -24 2 1 29 0 2 14 9 0 -7 2 1 -29 3 0 -35 8 1 -15 3 2 -11 5 1 28 4 1 29 9 0 -5 3 0 35 8 1 -17 8 1 -11 4 0 -36 0 0 34 4 2 0 4 2 -2 8 1 -13 5 1 -30 9 0 3 8 1 11 1 2 -15 3 2 11 4 2 2 9 0 -3 9 0 -1 4 2 -4 3 1 30 8 1 -19 2 2 -14 9 0 1 0 1 29 1 2 15 8 1 7 8 1 13 4 2 4 8 1 -9 4 2 -6 8 1 9 4 1 -31 1 0 35 1 0 -35 2 2 14 8 1 15 4 2 6 8 1 5 4 2 -8 3 2 -13 2 0 36 8 1 -7 1 1 -30 3 2 13 1 1 30 0 2 16 2 0 -36 2 1 -31 3 0 -37 2 2 -16 8 1 3 4 2 8 4 2 -10 3 1 -32 4 2 10 8 1 -5 2 1 31 1 2 -17 2 2 16 8 1 -3 3 2 -15 0 0 36 8 1 1 1 2 17 3 2 15 4 2 -12 8 1 -1 0 2 18 3 1 32 4 2 12 4 2 -14 1 0 37 1 0 -37 0 1 31 5 2 -1 1 1 -32 1 1 32 5 2 -3 5 2 1 3 2 -17 2 2 -18 5 2 -5 1 2 -19 2 2 18 5 2 3 10 0 -8 3 2 17 2 1 33 5 2 -9 1 2 19 4 2 14 5 2 -7 2 1 -33 5 2 7 5 2 5 4 2 -16 9 1 -10 10 0 4 0 0 38 5 2 -11 10 0 -6 5 2 9 10 0 2 5 2 -13 0 2 20 3 2 -19 5 2 11 2 2 -20 9 1 6 10 0 -2 9 1 -8 10 0 -4 10 0 0 0 1 33 4 2 16 3 2 19 4 2 -18 9 1 4 1 2 -21 2 2 20 9 1 -6 1 1 -34 1 1 34 1 2 21 9 1 -4 9 1 2 2 2 -22 9 1 -2 9 1 0 6 2 -2 6 2 0 0 2 22 6 2 -4 6 2 2 0 1 35 6 2 -6