#------------------------------------------------------------------------------ #$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $ #$Revision: 26029 $ #$URL: svn://www.crystallography.net/cod/cif/2/2104066.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_2104066 loop_ _publ_author_name 'van Mechelen, Jan B.' 'Peschar, Rene' 'Schenk, Henk' _publ_section_title ; Structures of mono-unsaturated triacylglycerols. III. The \b-2 polymorphs of trans-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols ; _journal_coeditor_code DR5018 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 240 _journal_page_last 248 _journal_volume 64 _journal_year 2008 _chemical_formula_moiety 'C41 H78 O6' _chemical_formula_structural 'C41 H78 O6' _chemical_formula_sum 'C41 H78 O6' _chemical_formula_weight 667.07 _chemical_melting_point 316 _chemical_name_common '\b-2 LLM' _chemical_name_systematic 1,2-dilauroyl-3-meristoylglycerol _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _audit_creation_method 'from EXP file using GSAS2CIF' _cell_angle_alpha 96.186(3) _cell_angle_beta 87.054(3) _cell_angle_gamma 100.4804(18) _cell_formula_units_Z 2 _cell_length_a 5.46035(9) _cell_length_b 12.1468(3) _cell_length_c 33.0451(9) _cell_measurement_temperature 295 _cell_volume 2141.50(9) _computing_structure_refinement GSAS _diffrn_ambient_temperature 295 _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.800001 _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 1.034 _exptl_crystal_description powder _refine_ls_extinction_method none _refine_ls_goodness_of_fit_all 6.55 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 408 _refine_ls_number_restraints 399 _refine_ls_shift/su_max 0.21 _refine_ls_shift/su_mean 0.00 _reflns_number_total 1224 _[local]_cod_data_source_file dr5018.cif _[local]_cod_data_source_block LLM-B2-1_3 _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 (248 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 (240 times). Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius ; _cod_database_code 2104066 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z -1 -x,-y,-z loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy O O1a -0.4631(5) 0.4313(6) -0.45295(15) 0.0253 Uiso 1.0 C C1a -0.4034(5) 0.4676(5) -0.41060(9) 0.0253 Uiso 1.0 C C2a -0.6309(5) 0.4923(4) -0.38582(11) 0.0253 Uiso 1.0 O O2a -0.1979(13) 0.4793(11) -0.39738(15) 0.0253 Uiso 1.0 C C3a -0.5579(5) 0.5390(4) -0.34248(11) 0.0253 Uiso 1.0 C C4a -0.7660(5) 0.5923(4) -0.32046(11) 0.0253 Uiso 1.0 C C5a -0.6860(5) 0.6420(4) -0.27793(11) 0.0253 Uiso 1.0 C C6a -0.8899(5) 0.6975(4) -0.25575(11) 0.0253 Uiso 1.0 C C7a -0.8208(5) 0.7334(4) -0.21197(11) 0.0253 Uiso 1.0 C C8a -1.0203(5) 0.7908(4) -0.18935(11) 0.0253 Uiso 1.0 C C9a -0.9430(5) 0.8291(4) -0.14561(11) 0.0253 Uiso 1.0 C C10a -1.1419(5) 0.8853(4) -0.12211(11) 0.0253 Uiso 1.0 C C11a -1.0614(5) 0.9233(4) -0.07859(12) 0.0253 Uiso 1.0 C C12a -1.2565(7) 0.9812(4) -0.05525(13) 0.0253 Uiso 1.0 C C1 -0.3146(5) 0.3689(3) -0.47422(11) 0.0253 Uiso 1.0 C C2 -0.4552(6) 0.2960(3) -0.50785(10) 0.0253 Uiso 1.0 O O1b -0.3415(9) 0.3172(3) -0.54378(17) 0.0253 Uiso 1.0 C C1b -0.3901(6) 0.2280(4) -0.57801(14) 0.0253 Uiso 1.0 C C2b -0.1590(7) 0.2222(3) -0.60460(13) 0.0253 Uiso 1.0 O O2b -0.5935(12) 0.1803(8) -0.5880(3) 0.0253 Uiso 1.0 C C3b -0.2087(7) 0.1223(3) -0.63747(12) 0.0253 Uiso 1.0 C C4b -0.0036(7) 0.1330(3) -0.67124(12) 0.0253 Uiso 1.0 C C5b -0.0528(7) 0.0315(3) -0.70301(12) 0.0253 Uiso 1.0 C C6b 0.1484(7) 0.0395(3) -0.73682(12) 0.0253 Uiso 1.0 C C7b 0.0883(7) -0.0604(3) -0.76824(12) 0.0253 Uiso 1.0 C C8b 0.2939(7) -0.0597(3) -0.80040(12) 0.0253 Uiso 1.0 C C9b 0.2310(7) -0.1614(3) -0.83128(12) 0.0253 Uiso 1.0 C C10b 0.4249(7) -0.1568(3) -0.86576(12) 0.0253 Uiso 1.0 C C11b 0.3648(7) -0.2608(3) -0.89601(12) 0.0253 Uiso 1.0 C C12b 0.5580(7) -0.2562(4) -0.93083(13) 0.0253 Uiso 1.0 C C3 -0.4717(6) 0.1732(4) -0.50169(11) 0.0253 Uiso 1.0 O O1c -0.4919(7) 0.1511(6) -0.46281(12) 0.0253 Uiso 1.0 C C1c -0.2840(6) 0.1023(4) -0.44966(9) 0.0253 Uiso 1.0 C C2c -0.3633(7) 0.0742(3) -0.40817(11) 0.0253 Uiso 1.0 O O2c -0.0704(8) 0.1250(7) -0.46159(16) 0.0253 Uiso 1.0 C C3c -0.2370(6) 0.1649(3) -0.37739(12) 0.0253 Uiso 1.0 C C4c -0.4226(6) 0.1910(3) -0.34481(12) 0.0253 Uiso 1.0 C C5c -0.3020(6) 0.2770(3) -0.31238(12) 0.0253 Uiso 1.0 C C6c -0.4921(6) 0.2934(3) -0.27945(12) 0.0253 Uiso 1.0 C C7c -0.3880(6) 0.3804(3) -0.24648(12) 0.0253 Uiso 1.0 C C8c -0.5912(6) 0.3920(3) -0.21492(12) 0.0253 Uiso 1.0 C C9c -0.5012(6) 0.4753(3) -0.18022(12) 0.0253 Uiso 1.0 C C10c -0.7138(6) 0.4801(3) -0.14899(12) 0.0253 Uiso 1.0 C C11c -0.6358(6) 0.5680(3) -0.11386(12) 0.0253 Uiso 1.0 C C12c -0.8499(7) 0.5691(3) -0.08279(12) 0.0253 Uiso 1.0 C C13c -0.7751(7) 0.6574(3) -0.04739(12) 0.0253 Uiso 1.0 C C14c -0.9837(7) 0.6519(4) -0.01479(13) 0.0253 Uiso 1.0 H H121a -1.2767(19) 1.0487(9) -0.0689(3) 0.0506 Uiso 1.0 H H122a -1.4185(15) 0.9280(9) -0.0548(3) 0.0506 Uiso 1.0 H H123a -1.2019(16) 1.0056(8) -0.0266(4) 0.0506 Uiso 1.0 H H111a -0.8994(15) 0.9769(9) -0.0791(3) 0.0506 Uiso 1.0 H H112a -1.040(2) 0.8564(9) -0.0648(3) 0.0506 Uiso 1.0 H H101a -1.3025(15) 0.8307(9) -0.1217(3) 0.0506 Uiso 1.0 H H102a -1.166(2) 0.9523(9) -0.1358(3) 0.0506 Uiso 1.0 H H91a -0.7829(15) 0.8836(9) -0.1459(3) 0.0506 Uiso 1.0 H H92a -0.919(2) 0.7623(9) -0.1319(3) 0.0506 Uiso 1.0 H H81a -1.1813(15) 0.7370(9) -0.1893(3) 0.0506 Uiso 1.0 H H82a -1.0403(19) 0.8577(9) -0.2033(3) 0.0506 Uiso 1.0 H H71a -0.6591(15) 0.7866(9) -0.2114(3) 0.0506 Uiso 1.0 H H72a -0.8036(19) 0.6658(9) -0.1984(3) 0.0506 Uiso 1.0 H H61a -1.0499(15) 0.6433(9) -0.2565(3) 0.0506 Uiso 1.0 H H62a -0.9087(19) 0.7648(9) -0.2693(3) 0.0506 Uiso 1.0 H H51a -0.5315(14) 0.6992(9) -0.2800(3) 0.0506 Uiso 1.0 H H52a -0.652(2) 0.5806(9) -0.2622(3) 0.0506 Uiso 1.0 H H41a -0.9190(14) 0.5338(9) -0.3184(3) 0.0506 Uiso 1.0 H H42a -0.802(2) 0.6530(9) -0.3359(3) 0.0506 Uiso 1.0 H H31a -0.526(2) 0.4763(9) -0.3272(3) 0.0506 Uiso 1.0 H H32a -0.4042(14) 0.5968(9) -0.3435(3) 0.0506 Uiso 1.0 H H21a -0.705(3) 0.5488(8) -0.3987(3) 0.0506 Uiso 1.0 H H22a -0.7553(14) 0.4219(11) -0.3850(3) 0.0506 Uiso 1.0 H H11 -0.1691(14) 0.4196(9) -0.4861(3) 0.0506 Uiso 1.0 H H12 -0.253(2) 0.3205(8) -0.4558(3) 0.0506 Uiso 1.0 H H121b 0.5585(18) -0.1870(10) -0.9450(3) 0.0506 Uiso 1.0 H H122b 0.725(2) -0.2537(7) -0.9199(3) 0.0506 Uiso 1.0 H H123b 0.5165(14) -0.3243(10) -0.9505(3) 0.0506 Uiso 1.0 H H111b 0.198(2) -0.2640(7) -0.9071(3) 0.0506 Uiso 1.0 H H112b 0.3652(18) -0.3295(9) -0.8819(3) 0.0506 Uiso 1.0 H H101b 0.4256(18) -0.0877(10) -0.8800(3) 0.0506 Uiso 1.0 H H102b 0.591(2) -0.1539(7) -0.8545(3) 0.0506 Uiso 1.0 H H91b 0.065(2) -0.1620(7) -0.8424(3) 0.0506 Uiso 1.0 H H92b 0.2266(18) -0.2313(10) -0.8177(3) 0.0506 Uiso 1.0 H H81b 0.453(2) -0.0624(7) -0.7874(3) 0.0506 Uiso 1.0 H H82b 0.3118(17) 0.0104(10) -0.8143(3) 0.0506 Uiso 1.0 H H71b -0.070(3) -0.0570(7) -0.7813(3) 0.0506 Uiso 1.0 H H72b 0.0687(17) -0.1309(10) -0.7547(3) 0.0506 Uiso 1.0 H H61b 0.313(2) 0.0396(7) -0.7252(3) 0.0506 Uiso 1.0 H H62b 0.1538(18) 0.1108(10) -0.7500(3) 0.0506 Uiso 1.0 H H51b -0.218(2) 0.0286(7) -0.7152(3) 0.0506 Uiso 1.0 H H52b -0.0554(18) -0.0387(10) -0.6897(3) 0.0506 Uiso 1.0 H H41b -0.0033(18) 0.2037(10) -0.6847(3) 0.0506 Uiso 1.0 H H42b 0.162(2) 0.1363(7) -0.6592(3) 0.0506 Uiso 1.0 H H31b -0.2128(18) 0.0509(10) -0.6249(3) 0.0506 Uiso 1.0 H H32b -0.374(2) 0.1208(7) -0.6496(3) 0.0506 Uiso 1.0 H H21b -0.1109(16) 0.2937(10) -0.6179(3) 0.0506 Uiso 1.0 H H22b -0.020(3) 0.2126(7) -0.5875(3) 0.0506 Uiso 1.0 H H21 -0.627(2) 0.3134(7) -0.5076(3) 0.0506 Uiso 1.0 H H141c -1.142(3) 0.6611(7) -0.0271(3) 0.0506 Uiso 1.0 H H142c -1.0084(17) 0.5772(10) -0.0034(3) 0.0506 Uiso 1.0 H H143c -0.9379(14) 0.7136(9) 0.0076(3) 0.0506 Uiso 1.0 H H131c -0.7431(16) 0.7340(11) -0.0574(3) 0.0506 Uiso 1.0 H H132c -0.620(3) 0.6434(7) -0.0355(3) 0.0506 Uiso 1.0 H H121c -0.8952(16) 0.4933(11) -0.0724(3) 0.0506 Uiso 1.0 H H122c -0.996(3) 0.5868(7) -0.0960(3) 0.0506 Uiso 1.0 H H111c -0.5899(16) 0.6439(11) -0.1243(3) 0.0506 Uiso 1.0 H H112c -0.490(3) 0.5498(7) -0.1008(3) 0.0506 Uiso 1.0 H H101c -0.7635(16) 0.4048(11) -0.1384(3) 0.0506 Uiso 1.0 H H102c -0.859(3) 0.4992(7) -0.1623(3) 0.0506 Uiso 1.0 H H91c -0.4456(15) 0.5510(11) -0.1902(3) 0.0506 Uiso 1.0 H H92c -0.360(3) 0.4517(7) -0.1677(3) 0.0506 Uiso 1.0 H H81c -0.6528(15) 0.3175(11) -0.2046(3) 0.0506 Uiso 1.0 H H82c -0.730(3) 0.4170(7) -0.2276(3) 0.0506 Uiso 1.0 H H71c -0.3306(15) 0.4536(10) -0.2579(3) 0.0506 Uiso 1.0 H H72c -0.246(3) 0.3566(7) -0.2341(3) 0.0506 Uiso 1.0 H H61c -0.5510(15) 0.2205(10) -0.2676(3) 0.0506 Uiso 1.0 H H62c -0.635(3) 0.3176(7) -0.2912(3) 0.0506 Uiso 1.0 H H51c -0.2400(15) 0.3495(10) -0.3241(3) 0.0506 Uiso 1.0 H H52c -0.161(3) 0.2497(7) -0.3011(3) 0.0506 Uiso 1.0 H H41c -0.4961(15) 0.1207(10) -0.3323(3) 0.0506 Uiso 1.0 H H42c -0.558(3) 0.2207(8) -0.3570(3) 0.0506 Uiso 1.0 H H31c -0.097(3) 0.1382(7) -0.3652(3) 0.0506 Uiso 1.0 H H32c -0.1703(15) 0.2342(10) -0.3911(3) 0.0506 Uiso 1.0 H H21c -0.5484(19) 0.0686(7) -0.4047(3) 0.0506 Uiso 1.0 H H22c -0.317(2) 0.0004(10) -0.4038(3) 0.0506 Uiso 1.0 H H31 -0.3190(19) 0.1475(8) -0.5143(3) 0.0506 Uiso 1.0 H H32 -0.6214(16) 0.1285(8) -0.5162(3) 0.0506 Uiso 1.0 loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source O 0.047 0.032 International_Tables_Vol_C C 0.017 0.009 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 C1a O1a C1 1_555 1_555 116.9(4) n O1a C1a C2a 1_555 1_555 111.2(3) n O1a C1a O2a 1_555 1_555 124.3(4) n C2a C1a O2a 1_555 1_555 124.5(4) n C1a C2a C3a 1_555 1_555 109.8(3) n C1a C2a H21a 1_555 1_555 109.4(7) n C1a C2a H22a 1_555 1_555 109.4(7) n C3a C2a H21a 1_555 1_555 109.4(7) n C3a C2a H22a 1_555 1_555 109.5(6) n H21a C2a H22a 1_555 1_555 109.4(9) n C2a C3a C4a 1_555 1_555 110.5(3) n C2a C3a H31a 1_555 1_555 109.3(7) n C2a C3a H32a 1_555 1_555 109.3(6) n C4a C3a H31a 1_555 1_555 109.2(7) n C4a C3a H32a 1_555 1_555 109.2(7) n H31a C3a H32a 1_555 1_555 109.3(9) n C3a C4a C5a 1_555 1_555 109.7(3) n C3a C4a H41a 1_555 1_555 109.4(7) n C3a C4a H42a 1_555 1_555 109.5(7) n C5a C4a H41a 1_555 1_555 109.4(6) n C5a C4a H42a 1_555 1_555 109.4(7) n H41a C4a H42a 1_555 1_555 109.5(9) n C4a C5a C6a 1_555 1_555 110.4(3) n C4a C5a H51a 1_555 1_555 109.3(6) n C4a C5a H52a 1_555 1_555 109.3(7) n C6a C5a H51a 1_555 1_555 109.3(7) n C6a C5a H52a 1_555 1_555 109.3(7) n H51a C5a H52a 1_555 1_555 109.3(9) n C5a C6a C7a 1_555 1_555 109.5(3) n C5a C6a H61a 1_555 1_555 109.6(7) n C5a C6a H62a 1_555 1_555 109.5(7) n C7a C6a H61a 1_555 1_555 109.5(6) n C7a C6a H62a 1_555 1_555 109.3(7) n H61a C6a H62a 1_555 1_555 109.4(9) n C6a C7a C8a 1_555 1_555 110.4(3) n C6a C7a H71a 1_555 1_555 109.2(6) n C6a C7a H72a 1_555 1_555 109.3(7) n C8a C7a H71a 1_555 1_555 109.4(7) n C8a C7a H72a 1_555 1_555 109.3(7) n H71a C7a H72a 1_555 1_555 109.2(9) n C7a C8a C9a 1_555 1_555 109.5(3) n C7a C8a H81a 1_555 1_555 109.5(7) n C7a C8a H82a 1_555 1_555 109.4(7) n C9a C8a H81a 1_555 1_555 109.6(6) n C9a C8a H82a 1_555 1_555 109.5(7) n H81a C8a H82a 1_555 1_555 109.4(9) n C8a C9a C10a 1_555 1_555 110.5(3) n C8a C9a H91a 1_555 1_555 109.3(6) n C8a C9a H92a 1_555 1_555 109.3(7) n C10a C9a H91a 1_555 1_555 109.3(7) n C10a C9a H92a 1_555 1_555 109.3(7) n H91a C9a H92a 1_555 1_555 109.2(9) n C9a C10a C11a 1_555 1_555 109.7(3) n C9a C10a H101a 1_555 1_555 109.5(7) n C9a C10a H102a 1_555 1_555 109.4(7) n C11a C10a H101a 1_555 1_555 109.5(6) n C11a C10a H102a 1_555 1_555 109.4(7) n H101a C10a H102a 1_555 1_555 109.4(9) n C10a C11a C12a 1_555 1_555 110.0(3) n C10a C11a H111a 1_555 1_555 109.4(6) n C10a C11a H112a 1_555 1_555 109.5(7) n C12a C11a H111a 1_555 1_555 109.3(7) n C12a C11a H112a 1_555 1_555 109.3(7) n H111a C11a H112a 1_555 1_555 109.3(9) n C11a C12a H121a 1_555 1_555 109.4(7) n C11a C12a H122a 1_555 1_555 109.5(7) n C11a C12a H123a 1_555 1_555 109.4(6) n H121a C12a H122a 1_555 1_555 109.4(9) n H121a C12a H123a 1_555 1_555 109.5(9) n H122a C12a H123a 1_555 1_555 109.6(8) n O1a C1 C2 1_555 1_555 109.9(3) n O1a C1 H11 1_555 1_555 109.4(7) n O1a C1 H12 1_555 1_555 109.4(7) n C2 C1 H11 1_555 1_555 109.4(6) n C2 C1 H12 1_555 1_555 109.4(6) n H11 C1 H12 1_555 1_555 109.4(9) n C1 C2 O1b 1_555 1_555 109.8(3) n C1 C2 C3 1_555 1_555 110.2(3) n C1 C2 H21 1_555 1_555 108.8(6) n O1b C2 C3 1_555 1_555 110.0(3) n O1b C2 H21 1_555 1_555 109.0(6) n C3 C2 H21 1_555 1_555 109.1(6) n C2 O1b C1b 1_555 1_555 117.3(3) n O1b C1b C2b 1_555 1_555 111.3(3) n O1b C1b O2b 1_555 1_555 124.6(5) n C2b C1b O2b 1_555 1_555 122.8(5) n C1b C2b C3b 1_555 1_555 110.0(3) n C1b C2b H21b 1_555 1_555 109.2(7) n C1b C2b H22b 1_555 1_555 109.3(7) n C3b C2b H21b 1_555 1_555 109.4(7) n C3b C2b H22b 1_555 1_555 109.4(6) n H21b C2b H22b 1_555 1_555 109.4(8) n C2b C3b C4b 1_555 1_555 110.5(3) n C2b C3b H31b 1_555 1_555 109.3(7) n C2b C3b H32b 1_555 1_555 109.2(6) n C4b C3b H31b 1_555 1_555 109.4(7) n C4b C3b H32b 1_555 1_555 109.2(7) n H31b C3b H32b 1_555 1_555 109.2(8) n C3b C4b C5b 1_555 1_555 109.7(3) n C3b C4b H41b 1_555 1_555 109.5(7) n C3b C4b H42b 1_555 1_555 109.4(7) n C5b C4b H41b 1_555 1_555 109.3(7) n C5b C4b H42b 1_555 1_555 109.4(6) n H41b C4b H42b 1_555 1_555 109.6(8) n C4b C5b C6b 1_555 1_555 110.9(3) n C4b C5b H51b 1_555 1_555 109.1(6) n C4b C5b H52b 1_555 1_555 109.3(7) n C6b C5b H51b 1_555 1_555 109.0(6) n C6b C5b H52b 1_555 1_555 109.2(7) n H51b C5b H52b 1_555 1_555 109.3(8) n C5b C6b C7b 1_555 1_555 109.2(3) n C5b C6b H61b 1_555 1_555 109.6(7) n C5b C6b H62b 1_555 1_555 109.5(7) n C7b C6b H61b 1_555 1_555 109.5(6) n C7b C6b H62b 1_555 1_555 109.4(7) n H61b C6b H62b 1_555 1_555 109.6(8) n C6b C7b C8b 1_555 1_555 110.5(3) n C6b C7b H71b 1_555 1_555 109.2(6) n C6b C7b H72b 1_555 1_555 109.3(7) n C8b C7b H71b 1_555 1_555 109.2(7) n C8b C7b H72b 1_555 1_555 109.3(7) n H71b C7b H72b 1_555 1_555 109.4(8) n C7b C8b C9b 1_555 1_555 109.5(3) n C7b C8b H81b 1_555 1_555 109.3(7) n C7b C8b H82b 1_555 1_555 109.3(7) n C9b C8b H81b 1_555 1_555 109.5(6) n C9b C8b H82b 1_555 1_555 109.5(7) n H81b C8b H82b 1_555 1_555 109.6(8) n C8b C9b C10b 1_555 1_555 110.2(3) n C8b C9b H91b 1_555 1_555 109.3(6) n C8b C9b H92b 1_555 1_555 109.3(7) n C10b C9b H91b 1_555 1_555 109.3(6) n C10b C9b H92b 1_555 1_555 109.4(7) n H91b C9b H92b 1_555 1_555 109.5(8) n C9b C10b C11b 1_555 1_555 109.9(3) n C9b C10b H101b 1_555 1_555 109.4(7) n C9b C10b H102b 1_555 1_555 109.2(6) n C11b C10b H101b 1_555 1_555 109.4(7) n C11b C10b H102b 1_555 1_555 109.4(6) n H101b C10b H102b 1_555 1_555 109.6(8) n C10b C11b C12b 1_555 1_555 110.1(3) n C10b C11b H111b 1_555 1_555 109.4(6) n C10b C11b H112b 1_555 1_555 109.3(7) n C12b C11b H111b 1_555 1_555 109.2(6) n C12b C11b H112b 1_555 1_555 109.4(7) n H111b C11b H112b 1_555 1_555 109.5(8) n C11b C12b H121b 1_555 1_555 109.5(7) n C11b C12b H122b 1_555 1_555 109.4(7) n C11b C12b H123b 1_555 1_555 109.5(6) n H121b C12b H122b 1_555 1_555 109.6(8) n H121b C12b H123b 1_555 1_555 109.4(9) n H122b C12b H123b 1_555 1_555 109.4(8) n C2 C3 O1c 1_555 1_555 114.6(4) n C2 C3 H31 1_555 1_555 108.4(6) n C2 C3 H32 1_555 1_555 108.5(7) n O1c C3 H31 1_555 1_555 108.4(7) n O1c C3 H32 1_555 1_555 108.2(6) n H31 C3 H32 1_555 1_555 108.5(8) n C3 O1c C1c 1_555 1_555 114.0(3) n O1c C1c C2c 1_555 1_555 103.4(3) n O1c C1c O2c 1_555 1_555 125.1(5) n C2c C1c O2c 1_555 1_555 124.7(4) n C1c C2c C3c 1_555 1_555 109.7(3) n C1c C2c H21c 1_555 1_555 109.3(6) n C1c C2c H22c 1_555 1_555 109.5(6) n C3c C2c H21c 1_555 1_555 109.3(6) n C3c C2c H22c 1_555 1_555 109.5(6) n H21c C2c H22c 1_555 1_555 109.4(9) n C2c C3c C4c 1_555 1_555 109.0(3) n C2c C3c H31c 1_555 1_555 109.7(6) n C2c C3c H32c 1_555 1_555 109.4(6) n C4c C3c H31c 1_555 1_555 109.7(7) n C4c C3c H32c 1_555 1_555 109.5(7) n H31c C3c H32c 1_555 1_555 109.6(9) n C3c C4c C5c 1_555 1_555 110.8(3) n C3c C4c H41c 1_555 1_555 109.2(7) n C3c C4c H42c 1_555 1_555 109.2(7) n C5c C4c H41c 1_555 1_555 109.2(6) n C5c C4c H42c 1_555 1_555 109.2(6) n H41c C4c H42c 1_555 1_555 109.2(9) n C4c C5c C6c 1_555 1_555 108.2(3) n C4c C5c H51c 1_555 1_555 109.7(6) n C4c C5c H52c 1_555 1_555 109.7(6) n C6c C5c H51c 1_555 1_555 109.6(7) n C6c C5c H52c 1_555 1_555 109.6(7) n H51c C5c H52c 1_555 1_555 109.9(9) n C5c C6c C7c 1_555 1_555 111.5(3) n C5c C6c H61c 1_555 1_555 109.0(7) n C5c C6c H62c 1_555 1_555 109.0(7) n C7c C6c H61c 1_555 1_555 109.1(6) n C7c C6c H62c 1_555 1_555 109.0(6) n H61c C6c H62c 1_555 1_555 109.3(8) n C6c C7c C8c 1_555 1_555 107.9(3) n C6c C7c H71c 1_555 1_555 109.7(6) n C6c C7c H72c 1_555 1_555 109.9(6) n C8c C7c H71c 1_555 1_555 109.7(7) n C8c C7c H72c 1_555 1_555 109.8(7) n H71c C7c H72c 1_555 1_555 109.9(8) n C7c C8c C9c 1_555 1_555 111.5(3) n C7c C8c H81c 1_555 1_555 109.0(7) n C7c C8c H82c 1_555 1_555 108.9(7) n C9c C8c H81c 1_555 1_555 109.0(6) n C9c C8c H82c 1_555 1_555 109.0(6) n H81c C8c H82c 1_555 1_555 109.3(9) n C8c C9c C10c 1_555 1_555 108.6(3) n C8c C9c H91c 1_555 1_555 109.5(6) n C8c C9c H92c 1_555 1_555 109.6(6) n C10c C9c H91c 1_555 1_555 109.7(7) n C10c C9c H92c 1_555 1_555 109.7(7) n H91c C9c H92c 1_555 1_555 109.8(8) n C9c C10c C11c 1_555 1_555 110.8(3) n C9c C10c H101c 1_555 1_555 109.0(7) n C9c C10c H102c 1_555 1_555 109.2(7) n C11c C10c H101c 1_555 1_555 109.2(6) n C11c C10c H102c 1_555 1_555 109.3(6) n H101c C10c H102c 1_555 1_555 109.3(8) n C10c C11c C12c 1_555 1_555 109.6(3) n C10c C11c H111c 1_555 1_555 109.4(6) n C10c C11c H112c 1_555 1_555 109.5(6) n C12c C11c H111c 1_555 1_555 109.4(6) n C12c C11c H112c 1_555 1_555 109.4(7) n H111c C11c H112c 1_555 1_555 109.6(8) n C11c C12c C13c 1_555 1_555 110.2(3) n C11c C12c H121c 1_555 1_555 109.2(6) n C11c C12c H122c 1_555 1_555 109.2(7) n C13c C12c H121c 1_555 1_555 109.3(6) n C13c C12c H122c 1_555 1_555 109.3(6) n H121c C12c H122c 1_555 1_555 109.5(8) n C12c C13c C14c 1_555 1_555 109.9(3) n C12c C13c H131c 1_555 1_555 109.3(6) n C12c C13c H132c 1_555 1_555 109.5(6) n C14c C13c H131c 1_555 1_555 109.2(7) n C14c C13c H132c 1_555 1_555 109.5(7) n H131c C13c H132c 1_555 1_555 109.4(8) n C13c C14c H141c 1_555 1_555 109.5(7) n C13c C14c H142c 1_555 1_555 109.4(7) n C13c C14c H143c 1_555 1_555 109.5(6) n H141c C14c H142c 1_555 1_555 109.5(8) n H141c C14c H143c 1_555 1_555 109.5(8) n H142c C14c H143c 1_555 1_555 109.4(9) 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 O1a C1a 1_555 1.456(6) n O1a C1 1_555 1.332(6) n C1a O1a 1_555 1.456(6) n C1a C2a 1_555 1.511(5) n C1a O2a 1_555 1.204(8) n C2a C1a 1_555 1.511(5) n C2a C3a 1_555 1.528(5) n C2a H21a 1_555 0.999(13) n C2a H22a 1_555 0.992(11) n O2a C1a 1_555 1.204(8) n C3a C2a 1_555 1.528(5) n C3a C4a 1_555 1.523(5) n C3a H31a 1_555 1.005(12) n C3a H32a 1_555 0.993(9) n C4a C3a 1_555 1.523(5) n C4a C5a 1_555 1.521(5) n C4a H41a 1_555 0.998(9) n C4a H42a 1_555 0.994(12) n C5a C4a 1_555 1.521(5) n C5a C6a 1_555 1.521(5) n C5a H51a 1_555 0.995(9) n C5a H52a 1_555 1.002(12) n C6a C5a 1_555 1.521(5) n C6a C7a 1_555 1.512(5) n C6a H61a 1_555 0.993(9) n C6a H62a 1_555 0.996(13) n C7a C6a 1_555 1.512(5) n C7a C8a 1_555 1.520(5) n C7a H71a 1_555 0.994(9) n C7a H72a 1_555 0.999(13) n C8a C7a 1_555 1.520(5) n C8a C9a 1_555 1.527(5) n C8a H81a 1_555 0.996(9) n C8a H82a 1_555 1.002(13) n C9a C8a 1_555 1.527(5) n C9a C10a 1_555 1.523(5) n C9a H91a 1_555 0.996(9) n C9a H92a 1_555 1.002(13) n C10a C9a 1_555 1.523(5) n C10a C11a 1_555 1.524(5) n C10a H101a 1_555 0.999(9) n C10a H102a 1_555 1.003(13) n C11a C10a 1_555 1.524(5) n C11a C12a 1_555 1.515(5) n C11a H111a 1_555 0.999(9) n C11a H112a 1_555 1.001(13) n C12a C11a 1_555 1.515(5) n C12a H121a 1_555 1.004(13) n C12a H122a 1_555 0.997(9) n C12a H123a 1_555 1.004(13) n C1 O1a 1_555 1.332(6) n C1 C2 1_555 1.496(4) n C1 H11 1_555 1.003(9) n C1 H12 1_555 1.000(12) n C2 C1 1_555 1.496(4) n C2 O1b 1_555 1.339(6) n C2 C3 1_555 1.513(5) n C2 H21 1_555 1.000(14) n O1b C2 1_555 1.339(6) n O1b C1b 1_555 1.478(6) n C1b O1b 1_555 1.478(6) n C1b C2b 1_555 1.508(5) n C1b O2b 1_555 1.200(8) n C2b C1b 1_555 1.508(5) n C2b C3b 1_555 1.533(5) n C2b H21b 1_555 1.002(12) n C2b H22b 1_555 0.999(14) n O2b C1b 1_555 1.200(8) n C3b C2b 1_555 1.533(5) n C3b C4b 1_555 1.538(5) n C3b H31b 1_555 0.998(13) n C3b H32b 1_555 1.001(13) n C4b C3b 1_555 1.538(5) n C4b C5b 1_555 1.525(5) n C4b H41b 1_555 1.008(13) n C4b H42b 1_555 0.997(13) n C5b C4b 1_555 1.525(5) n C5b C6b 1_555 1.524(5) n C5b H51b 1_555 1.001(13) n C5b H52b 1_555 0.998(13) n C6b C5b 1_555 1.524(5) n C6b C7b 1_555 1.509(5) n C6b H61b 1_555 0.997(13) n C6b H62b 1_555 1.005(13) n C7b C6b 1_555 1.509(5) n C7b C8b 1_555 1.505(5) n C7b H71b 1_555 0.994(14) n C7b H72b 1_555 0.995(12) n C8b C7b 1_555 1.505(5) n C8b C9b 1_555 1.514(5) n C8b H81b 1_555 0.999(14) n C8b H82b 1_555 0.999(13) n C9b C8b 1_555 1.514(5) n C9b C10b 1_555 1.514(5) n C9b H91b 1_555 0.993(13) n C9b H92b 1_555 0.999(12) n C10b C9b 1_555 1.514(5) n C10b C11b 1_555 1.521(5) n C10b H101b 1_555 1.005(12) n C10b H102b 1_555 0.993(13) n C11b C10b 1_555 1.521(5) n C11b C12b 1_555 1.519(5) n C11b H111b 1_555 0.993(13) n C11b H112b 1_555 1.000(12) n C12b C11b 1_555 1.519(5) n C12b H121b 1_555 1.005(13) n C12b H122b 1_555 0.995(13) n C12b H123b 1_555 0.995(11) n C3 C2 1_555 1.513(5) n C3 O1c 1_555 1.336(6) n C3 H31 1_555 0.999(11) n C3 H32 1_555 1.008(9) n O1c C3 1_555 1.336(6) n O1c C1c 1_555 1.477(7) n C1c O1c 1_555 1.477(7) n C1c C2c 1_555 1.473(5) n C1c O2c 1_555 1.205(5) n C2c C1c 1_555 1.473(5) n C2c C3c 1_555 1.509(5) n C2c H21c 1_555 1.002(11) n C2c H22c 1_555 1.001(13) n O2c C1c 1_555 1.205(5) n C3c C2c 1_555 1.509(5) n C3c C4c 1_555 1.489(5) n C3c H31c 1_555 1.001(16) n C3c H32c 1_555 1.000(12) n C4c C3c 1_555 1.489(5) n C4c C5c 1_555 1.502(5) n C4c H41c 1_555 0.997(12) n C4c H42c 1_555 0.998(16) n C5c C4c 1_555 1.502(5) n C5c C6c 1_555 1.488(5) n C5c H51c 1_555 0.997(13) n C5c H52c 1_555 0.995(16) n C6c C5c 1_555 1.488(5) n C6c C7c 1_555 1.491(5) n C6c H61c 1_555 0.999(12) n C6c H62c 1_555 0.991(16) n C7c C6c 1_555 1.491(5) n C7c C8c 1_555 1.498(5) n C7c H71c 1_555 0.994(13) n C7c H72c 1_555 0.996(16) n C8c C7c 1_555 1.498(5) n C8c C9c 1_555 1.486(5) n C8c H81c 1_555 0.997(13) n C8c H82c 1_555 0.993(16) n C9c C8c 1_555 1.486(5) n C9c C10c 1_555 1.518(5) n C9c H91c 1_555 1.000(13) n C9c H92c 1_555 0.996(16) n C10c C9c 1_555 1.518(5) n C10c C11c 1_555 1.512(5) n C10c H101c 1_555 1.000(13) n C10c H102c 1_555 1.001(15) n C11c C10c 1_555 1.512(5) n C11c C12c 1_555 1.517(5) n C11c H111c 1_555 1.003(13) n C11c H112c 1_555 0.995(15) n C12c C11c 1_555 1.517(5) n C12c C13c 1_555 1.518(5) n C12c H121c 1_555 1.001(13) n C12c H122c 1_555 0.996(15) n C13c C12c 1_555 1.518(5) n C13c C14c 1_555 1.524(5) n C13c H131c 1_555 1.003(13) n C13c H132c 1_555 1.001(15) n C14c C13c 1_555 1.524(5) n C14c H141c 1_555 1.002(15) n C14c H142c 1_555 1.002(13) n C14c H143c 1_555 1.003(11) n H121a C12a 1_555 1.004(13) n H122a C12a 1_555 0.997(9) n H123a C12a 1_555 1.004(13) n H111a C11a 1_555 0.999(9) n H112a C11a 1_555 1.001(13) n H101a C10a 1_555 0.999(9) n H102a C10a 1_555 1.003(13) n H91a C9a 1_555 0.996(9) n H92a C9a 1_555 1.002(13) n H81a C8a 1_555 0.996(9) n H82a C8a 1_555 1.002(13) n H71a C7a 1_555 0.994(9) n H72a C7a 1_555 0.999(13) n H61a C6a 1_555 0.993(9) n H62a C6a 1_555 0.996(13) n H51a C5a 1_555 0.995(9) n H52a C5a 1_555 1.002(12) n H41a C4a 1_555 0.998(9) n H42a C4a 1_555 0.994(12) n H31a C3a 1_555 1.005(12) n H32a C3a 1_555 0.993(9) n H21a C2a 1_555 0.999(13) n H22a C2a 1_555 0.992(11) n H11 C1 1_555 1.003(9) n H12 C1 1_555 1.000(12) n H121b C12b 1_555 1.005(13) n H122b C12b 1_555 0.995(13) n H123b C12b 1_555 0.995(11) n H111b C11b 1_555 0.993(13) n H112b C11b 1_555 1.000(12) n H101b C10b 1_555 1.005(12) n H102b C10b 1_555 0.993(13) n H91b C9b 1_555 0.993(13) n H92b C9b 1_555 0.999(12) n H81b C8b 1_555 0.999(14) n H82b C8b 1_555 0.999(13) n H71b C7b 1_555 0.994(14) n H72b C7b 1_555 0.995(12) n H61b C6b 1_555 0.997(13) n H62b C6b 1_555 1.005(13) n H51b C5b 1_555 1.001(13) n H52b C5b 1_555 0.998(13) n H41b C4b 1_555 1.008(13) n H42b C4b 1_555 0.997(13) n H31b C3b 1_555 0.998(13) n H32b C3b 1_555 1.001(13) n H21b C2b 1_555 1.002(12) n H22b C2b 1_555 0.999(14) n H21 C2 1_555 1.000(14) n H141c C14c 1_555 1.002(15) n H142c C14c 1_555 1.002(13) n H143c C14c 1_555 1.003(11) n H131c C13c 1_555 1.003(13) n H132c C13c 1_555 1.001(15) n H121c C12c 1_555 1.001(13) n H122c C12c 1_555 0.996(15) n H111c C11c 1_555 1.003(13) n H112c C11c 1_555 0.995(15) n H101c C10c 1_555 1.000(13) n H102c C10c 1_555 1.001(15) n H91c C9c 1_555 1.000(13) n H92c C9c 1_555 0.996(16) n H81c C8c 1_555 0.997(13) n H82c C8c 1_555 0.993(16) n H71c C7c 1_555 0.994(13) n H72c C7c 1_555 0.996(16) n H61c C6c 1_555 0.999(12) n H62c C6c 1_555 0.991(16) n H51c C5c 1_555 0.997(13) n H52c C5c 1_555 0.995(16) n H41c C4c 1_555 0.997(12) n H42c C4c 1_555 0.998(16) n H31c C3c 1_555 1.001(16) n H32c C3c 1_555 1.000(12) n H21c C2c 1_555 1.002(11) n H22c C2c 1_555 1.001(13) n H31 C3 1_555 0.999(11) n H32 C3 1_555 1.008(9) n loop_ _refln_index_h _refln_index_k _refln_index_l 0 0 1 0 0 2 0 1 0 0 1 -1 0 0 3 0 1 1 0 1 -2 0 1 2 0 1 -3 0 0 4 0 1 3 0 1 -4 0 0 5 0 1 4 0 2 -1 0 2 0 0 1 -5 0 2 -2 0 2 1 0 1 5 0 2 -3 0 2 2 0 0 6 1 0 0 1 0 -1 1 -1 0 1 -1 1 1 0 1 0 1 -6 1 0 2 0 2 -4 1 -1 -1 1 -1 2 0 2 3 1 0 -2 1 -1 -2 1 -1 3 1 0 3 0 1 6 0 0 7 1 0 -3 0 2 -5 1 -1 -3 0 2 4 1 1 0 1 -1 4 1 0 4 1 1 -1 1 1 1 0 1 -7 1 0 -4 1 -2 1 1 -2 0 1 1 -2 1 -2 2 1 1 2 1 -2 -1 1 -1 -4 1 -1 5 0 2 -6 1 -2 3 1 0 5 0 1 7 0 2 5 1 1 -3 1 1 3 1 -2 -2 0 0 8 1 0 -5 1 -2 4 0 3 -1 0 3 0 1 -1 -5 0 1 -8 0 3 -2 1 -2 -3 1 1 -4 0 3 1 1 -1 6 1 1 4 0 3 -3 1 0 6 0 2 6 0 2 -7 1 -2 5 0 3 2 0 1 8 1 1 -5 1 -2 -4 1 0 -6 0 3 -4 1 1 5 1 -1 -6 0 3 3 0 0 9 1 -1 7 1 2 0 1 2 -1 1 -2 6 0 3 -5 1 2 1 0 1 -9 1 0 7 1 2 -2 1 -3 1 0 2 7 0 2 -8 1 -3 2 1 -3 0 1 1 -6 1 -2 -5 1 2 -3 1 2 2 1 1 6 1 -3 3 1 -3 -1 0 3 4 1 0 -7 0 1 9 1 -2 7 1 -1 -7 0 3 -6 1 -1 8 1 2 -4 1 2 3 1 -3 4 1 -3 -2 1 0 8 0 0 10 1 -2 -6 1 2 4 1 1 -7 0 3 5 1 -3 5 1 -3 -3 0 2 8 1 1 7 1 2 -5 0 2 -9 1 0 -8 0 1 -10 0 3 -7 1 -2 8 1 -3 -4 1 -1 -8 1 2 5 1 -1 9 1 -3 6 1 -2 -7 0 1 10 1 2 -6 0 3 6 1 0 9 1 1 8 1 1 -8 0 3 -8 1 -3 -5 0 4 -1 0 0 11 0 4 -3 0 2 9 0 4 -2 1 0 -9 0 4 0 0 2 -10 1 -3 7 1 2 6 1 -2 9 0 1 -11 0 4 1 0 4 -4 1 3 -1 1 2 -7 1 3 0 1 3 -2 1 -1 -9 1 -2 -8 1 3 1 0 3 7 1 -1 10 0 4 2 1 1 -9 1 -4 1 1 -4 2 1 3 -3 1 -4 0 0 4 -5 1 -3 -6 1 -4 3 1 0 10 1 1 9 1 3 2 1 2 7 0 4 3 0 1 11 0 3 -9 1 -3 8 1 -4 -1 1 -4 4 1 3 -4 0 2 10 0 2 -11 1 3 3 1 -2 10 1 2 -8 1 -4 -2 1 0 -10 0 4 -6 0 3 8 1 3 -5 0 4 4 0 0 12 1 -4 5 0 1 -12 1 -1 -10 1 -2 -9 2 -1 1 1 -3 -7 1 3 4 2 -1 0 1 -4 -3 1 1 -10 1 -1 11 1 2 8 2 -1 2 1 -3 9 2 -1 -1 0 3 -10 0 4 -7 1 -4 6 1 3 -6 1 1 10 2 0 0 2 0 1 2 -1 3 1 0 11 1 2 -9 2 0 -1 0 4 5 0 1 12 2 -1 -2 2 0 2 2 -1 -3 1 -4 -4 2 0 -2 2 -2 1 1 3 5 2 -1 4 2 -2 -1 2 -2 0 2 0 3 2 -2 2 0 2 11 1 -2 11 0 3 9 0 2 -12 1 -4 7 2 -2 3 1 0 -11 1 -3 10 2 -2 -2 2 0 -3 1 3 -7 0 4 -8 1 -3 -8 2 0 4 1 -4 -5 2 -1 -4 2 -1 5 1 -1 -11 1 -2 -10 1 2 9 1 3 6 0 4 6 2 -2 4 2 0 -4 0 0 13 0 1 -13 1 1 -11 2 -2 -3 0 3 -11 1 -1 12 2 -2 5 2 1 0 1 2 -10 1 0 12 2 -1 6 2 1 1 1 1 11 2 1 -1 2 0 5 1 -4 8 2 1 2 2 -1 -5 2 1 -2 1 3 -8 2 0 -5 1 -4 -6 0 4 -9 1 -3 -9 2 -2 -4 0 1 13 2 -2 6 2 -3 1 2 0 6 2 1 3 0 3 10 2 -3 2 1 -2 12 1 3 7 1 0 -12 2 -3 0 2 1 -3 1 -3 11 1 4 -1 0 4 7 1 4 0 0 2 12 1 4 -2 2 -3 3 2 -1 7 0 2 -13 0 5 -1 0 5 -2 2 -3 -1 1 4 1 2 -2 -5 0 5 0 1 2 10 1 4 -3 2 -3 -2 1 -5 2 0 5 -3 1 -5 1 2 1 4 2 -3 4 1 -4 9 1 -5 3 2 -1 -6 1 -2 -11 2 1 -4 1 -5 0 2 0 -6 1 -1 -12 0 5 1 1 4 2 1 -1 13 0 5 -4 2 -2 7 0 0 14 1 4 -4 0 3 -12 1 1 12 1 -5 4 2 0 7 1 2 -11 1 1 -12 1 3 -9 1 -5 -1 1 -4 -7 2 -3 -3 2 -3 5 2 1 -5 0 1 -14 0 4 -10 0 5 2 2 1 5 1 0 13 0 5 -5 1 4 3 1 3 8 2 -1 8 1 -5 5 1 4 -5 2 -2 -6 2 -1 -7 0 4 8 1 -5 -2 1 -3 -10 1 -2 13 1 -3 12 2 -3 6 0 3 11 2 1 6 0 5 3 2 -3 -4 2 0 -7 1 2 11 2 -2 8 1 -4 10 0 5 -6 1 -5 6 2 1 -6 1 4 4 0 1 14 2 0 8 1 0 -13 2 2 0 1 -5 -3 2 2 -1 1 4 -6 2 2 1 1 -2 -12 0 2 13 0 2 -14 2 2 -2 1 3 -10 1 -4 -8 2 2 2 0 5 4 2 -3 7 2 -1 9 2 -2 -7 0 4 -11 1 2 -12 2 -3 -5 1 4 -7 2 0 -8 2 -2 9 2 2 -3 2 -1 -8 0 3 -13 1 -5 7 1 -1 -13 0 5 -7 1 3 9 2 1 7 1 -1 14 2 -4 2 2 -4 1 1 4 5 2 2 3 1 1 13 1 -5 -4 1 1 -13 0 4 9 2 -4 3 2 -4 0 2 1 -7 0 0 15 2 -3 8 2 2 -4 1 -3 -11 2 -4 4 1 -4 11 2 0 9 0 3 12 2 -4 -1 1 0 14 2 -3 -6 0 1 -15 2 2 4 0 5 5 1 -3 13 1 -2 14 2 -1 10 2 2 -5 1 -5 8 1 2 12 0 5 -8 1 4 -8 2 -4 5 2 -4 -2 1 -5 -5 1 4 6 1 -4 -9 2 -2 -8 1 3 -11 2 1 8 1 3 10 2 -4 -3 0 2 14 2 -2 10 2 0 -9 2 -1 -9 0 5 6 2 2 5 1 0 -14 0 4 10 0 4 -12 1 -2 -13 2 1 -8 0 1 15 2 -3 9 0 3 -14 2 -4 6 2 0 10 0 5 -9 2 2 -6 0 2 -15 1 -1 -14 2 -3 -7 1 2 -13 1 1 -14 1 -5 9 2 2 6 2 -4 -4 1 -4 12 1 -5 -6 1 4 -9 1 1 14 2 -2 -9 1 4 7 1 -1 15 2 -1 11 2 -4 7 1 -3 -12 2 1 -9 2 1 9 0 5 7 0 3 13 0 1 -16 1 -3 14 2 2 -7 0 0 16 2 -2 11 1 0 15 1 -4 -10 1 5 -1 1 3 -12 1 5 -2 2 0 -10 2 -3 10 0 5 -10 1 2 13 1 5 0 1 -2 15 2 -4 -5 2 -1 -10 1 3 11 2 2 7 1 5 -3 2 -3 -8 1 -5 10 1 5 1 2 0 11 1 4 8 0 4 -13 0 4 11 2 3 0 2 3 -1 2 -4 8 1 -5 -7 1 5 -4 2 3 1 2 3 -2 1 4 -10 2 3 -3 1 2 -14 0 2 15 2 1 10 0 6 -2 1 5 2 0 6 -1 1 -6 2 1 -2 -14 1 -6 1 1 0 -15 0 6 -3 0 3 -15 2 3 2 0 2 -16 1 -6 3 0 6 0 2 -2 -10 2 2 -8 1 -4 13 1 -6 0 1 5 -5 2 3 -4 0 5 8 2 1 -10 1 -6 4 2 -5 2 0 6 -4 0 1 16 2 -4 -6 2 -5 1 1 -1 -15 2 -1 12 2 -5 3 1 1 -15 0 6 1 1 -4 -11 1 5 3 2 3 3 2 -5 0 2 2 8 1 -6 -1 2 -1 -11 0 5 -11 2 -3 11 1 -5 -8 1 -6 -2 1 3 -13 2 -5 4 1 -6 5 2 -2 12 2 -4 9 0 6 -5 1 1 15 1 -3 -13 1 -5 11 2 0 -11 2 -5 -1 1 -1 16 2 3 -5 1 5 -6 0 6 2 2 -3 -9 1 4 9 1 -3 15 2 -5 5 0 3 14 2 3 4 1 3 12 1 5 4 2 0 12 1 -6 6 1 4 -11 1 -6 -3 0 6 -6 1 2 14 2 -5 -2 1 0 16 0 4 -14 0 1 -17 2 2 -9 0 4 12 2 1 11 1 -2 16 0 6 3 2 -4 -7 2 3 5 0 0 17 2 -5 6 2 3 -6 1 5 -7 0 5 9 2 -2 -11 2 2 9 2 1 -11 2 -4 10 1 -6 7 1 2 -15 2 -5 -3 1 -4 14 0 6 -7 1 5 5 1 -6 -4 0 5 -12 1 -5 -9 2 -1 13 2 -3 12 1 -2 -15 0 3 -16 0 6 4 0 2 16 1 -5 12 2 -5 7 1 -4 -12 1 0 -16 2 -1 -12 2 -4 -8 2 -2 13 2 3 6 0 1 17 0 2 -17 2 2 -10 1 -3 -14 2 -3 -10 1 4 10 2 3 -7 1 3 -14 2 0 -12 1 5 -8 1 1 16 1 1 -16 1 -1 -16 1 -6 8 2 -5 -4 1 4 -12 2 -4 11 0 6 -8 2 2 10 1 -6 -5 2 0 13 1 5 6 1 3 13 1 2 15 2 -5 8 2 1 12 0 6 5 1 -3 16 2 -5 -5 2 3 -8 1 -1 17 0 5 10 0 3 15 2 -3 13 0 4 -15 1 0 17 0 4 13 2 3 7 1 -4 15 2 1 -12 2 -1 14 2 -2 -12 1 -5 -10 1 5 -9 1 -6 9 0 5 -13 0 0 18 2 -3 -11 1 -2 17 2 -4 -9 2 -2 14 0 6 -9 1 -5 13 0 1 -18 2 2 -11 1 -6 -6 2 0 -13 2 -5 9 1 5 7 2 4 -1 1 4 11 1 2 -16 2 4 0 0 6 6 2 -5 -6 2 -4 12 2 4 -2 2 -1 -13 1 -4 -13 1 -6 10 2 4 1 1 0 -17 2 3 -9 2 2 11 2 0 14 1 4 -13 0 3 -17 2 4 -3 1 3 -15 1 -2 -16 2 3 8 3 -1 1 3 -1 0 1 -3 -15 2 4 2 1 3 14 3 -1 2 0 2 17 3 -1 -1 0 2 -18 1 5 -10 3 -2 1 2 1 13 2 4 -4 3 -1 3 0 1 18 0 6 -10 3 -2 2 2 -6 2 1 -3 17 0 5 11 3 -2 0 1 1 17 2 -6 1 1 1 -17 2 -2 -13 2 -3 14 2 4 3 1 -1 -17 3 -2 3 1 -6 -7 2 -5 10 3 -1 -2 3 -2 -1 1 -1 18 2 -6 0 1 6 -2 3 -1 4 0 6 7 1 5 8 1 2 16 2 1 -13 2 -4 -10 1 -5 -11 3 0 1 3 0 0 2 -5 -7 0 5 -14 1 6 -3 0 4 -16 2 4 -5 2 3 9 0 4 14 2 -6 3 3 -2 4 2 -3 -12 1 4 12 3 0 2 1 -6 11 1 -4 16 1 -5 14 2 -1 15 3 0 -1 2 2 -12 2 -6 -1 3 -2 -2 0 3 16 2 3 -10 3 -1 -3 2 -6 4 1 6 -1 1 6 -4 2 4 4 2 -2 15 1 -2 18 3 -2 -3 1 5 -11 2 4 -6 3 0 3 2 -4 13 3 -1 5 1 6 0 1 0 18 3 0 -2 3 -1 -4 3 -3 1 3 -2 5 2 0 -14 2 -6 5 3 -3 0 2 2 12 2 -6 -2 1 6 1 1 -7 2 1 6 -5 1 -7 3 0 6 -11 3 0 4 1 -7 1 1 4 -14 2 -1 -14 3 0 -3 0 0 19 3 -3 2 3 -3 -1 0 5 12 1 -4 -14 1 -7 4 2 1 14 2 -5 11 3 -2 -4 1 -7 0 2 0 15 1 2 -17 3 -3 3 2 4 5 3 -1 6 1 -6 -8 0 7 -2 2 -6 6 1 -2 -17 0 1 -19 1 6 2 0 7 -1 0 7 -3 3 -2 6 2 4 -7 0 6 8 1 3 -16 3 -1 -5 2 -5 -8 1 -7 5 1 5 9 1 6 -6 2 -6 -3 3 0 5 3 -3 -2 0 7 0 3 -3 4 0 7 -4 1 -7 -1 1 3 15 3 -3 5 1 0 -18 2 1 -14 0 3 -18 1 -6 12 3 0 -4 2 3 10 1 -3 -16 3 -2 7 2 -3 15 2 -4 -11 2 3 -11 1 6 3 2 -2 -14 0 7 1 2 -6 7 0 7 -5 1 -7 6 1 -5 -12 0 4 15 1 5 -12 3 0 -5 3 1 0 3 -2 -5 0 5 -15 3 1 1 0 2 18 3 -1 7 1 -3 18 3 -3 -3 1 -7 -2 2 2 -13 3 1 -1 1 -5 15 2 4 6 1 4 13 3 -3 6 0 2 -19 2 -3 -13 3 1 2 2 -6 8 1 6 -7 3 0 6 2 -4 14 1 1 18 2 -6 -4 1 1 -18 2 4 -8 0 6 9 0 6 -12 0 7 2 3 -1 -6 0 3 17 0 1 19 3 1 -2 0 4 -17 2 -1 16 0 7 -6 1 -4 17 1 -1 -18 1 2 17 3 1 3 1 -7 7 2 -5 12 2 -2 16 1 -1 19 1 5 10 1 6 4 3 -1 8 3 -2 8 2 2 13 1 -6 -9 1 -7 -3 3 1 -3 3 -3 -4 3 0 -6 2 0 -15 3 -3 7 2 -5 -9 3 -2 -6 1 4 -15 3 1 4 0 7 3 1 -2 19 1 6 -8 0 5 13 0 7 -7 3 0 7 2 -6 9 1 -6 13 3 -4 2 2 4 7 2 -1 -15 2 1 15 3 -4 1 3 -3 -5 1 0 19 2 3 11 2 -6 -5 3 -4 -1 3 -4 3 1 -7 8 3 1 -4 1 -4 -15 2 0 16 3 -4 0 3 -1 -7 1 6 5 2 3 -12 2 4 -9 3 -4 4 1 -7 -4 3 1 5 1 5 -13 3 -2 -7 0 1 -20 2 -4 -12 1 2 -18 3 0 8 3 -4 -2 1 3 -17 3 -2 9 2 1 -15 3 -1 9 0 7 4 3 -3 8 2 -3 16 0 0 20 1 -2 -18 0 7 -8 1 3 16 3 0 -7 0 6 -13 0 6 10 3 -4 5 1 -5 -13 2 4 8 1 6 6 2 2 -14 0 5 -16 3 1 -5 2 -2 -15 1 6 -9 2 -5 13 1 -5 16 2 -4 15 2 -6 10 0 3 -19 3 -1 -8 2 2 14 3 -3 -6 1 -7 9 1 4 14 1 -3 -17 1 5 11 0 2 19 2 -3 -14 2 5 -1 1 0 -19 2 -6 -6 3 -4 -3 0 4 -18 1 -6 -10 0 4 16 3 1 6 2 5 -2 3 1 -6 1 -7 -5 3 -4 6 1 1 -19 2 -5 -10 1 -3 19 2 5 -3 1 -1 -19 0 7 5 2 -1 17 2 4 -10 1 -4 18 2 5 0 2 -2 17 1 -6 14 0 7 -9 3 -3 9 3 0 9 3 -2 -8 0 2 -20 3 -2 10 1 1 19 2 5 -4 2 3 12 2 -6 -7 3 -1 10 3 2 0 0 3 18 2 5 1 2 -1 -16 1 -7 -6 3 2 1 3 2 -1 3 -4 -4 1 2 18 3 0 -8 1 4 -16 1 6 7 0 5 14 2 0 -16 3 -4 7 2 3 -13 0 1 20 1 6 -10 3 1 7 3 2 2 1 -7 10 3 2 -2 1 -1 20 2 4 9 3 -3 -7 2 5 2 2 -6 11 1 5 -14 2 1 16 2 5 -5 3 1 -7 1 -6 -11 3 -1 -9 1 -5 -14 0 6 -14 3 2 3 2 2 -15 2 -4 -13 3 2 -3 0 6 11 2 0 17 2 -5 -11 1 -2 20 0 7 6 1 -4 -16 2 -5 14 2 -7 2 2 -7 3 2 5 3 3 1 8 0 7 -10 3 0 -9 2 -7 1 3 -4 -5 2 1 -16 1 0 20 3 -3 10 2 -3 17 2 -7 4 3 -4 8 1 5 12 2 5 -6 3 2 4 3 0 10 2 -4 16 2 4 -11 1 3 -18 3 2 -4 2 -7 0 0 5 -17 1 -7 -7 3 -2 -9 1 -5 17 3 -2 11 3 -5 2 2 2 15 1 2 -19 2 -7 5 2 -6 -8 1 3 17 2 3 13 3 -5 1 3 -1 11 3 -5 3 2 -2 -16 1 6 8 1 4 15 1 -7 11 3 -4 -6 2 5 4 0 1 -21 2 -3 -15 1 6 -11 3 -4 9 3 -5 0 3 -5 4 2 -7 -1 1 -6 15 3 1 -8 1 -2 -19 3 -3 -8 2 -6 12 3 2 5 2 -7 6 2 4 10 0 0 21 0 4 -19 3 -3 11 3 2 -5 0 4 17 1 -3 -18 0 3 -20 2 5 5 2 5 -7 3 -5 -1 0 7 7 3 -5 5 3 -1 -10 3 1 9 2 3 -14 2 -1 18 1 0 -20 2 -2 18 3 2 -6 1 -4 19 1 -3 20 1 5 -15 3 -2 12 1 1 -20 0 2 -21 1 4 -17 3 0 -10 3 -1 12 3 -5 -2 3 -5 6 0 6 -15 1 7 -2 1 7 -1 3 0 11 3 2 6 2 4 -12 2 5 6 2 5 -8 3 1 -9