#------------------------------------------------------------------------------
#$Date: 2020-05-04 05:36:53 +0300 (Mon, 04 May 2020) $
#$Revision: 251458 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/46/4134687.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4134687
loop_
_publ_author_name
'Shao, Li'
'Hua, Bin'
'Hu, Xiangquan'
'Stalla, David'
'Kelley, Steven P.'
'Atwood, Jerry L.'
_publ_section_title
;
 Construction of Polymeric Metal-Organic Nanocapsule Networks via
 Supramolecular Coordination-Driven Self-Assembly.
;
_journal_issue                   16
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7270
_journal_page_last               7275
_journal_paper_doi               10.1021/jacs.0c00640
_journal_volume                  142
_journal_year                    2020
_chemical_formula_moiety         'C261 H253 Mg24 N2 O125, O, C4 H8 O3'
_chemical_formula_sum            'C265 H296 Mg24 N2 O129'
_chemical_formula_weight         6156.46
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_date             2019-12-31
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 94.801(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   37.025(5)
_cell_length_b                   36.916(5)
_cell_length_c                   26.530(4)
_cell_measurement_reflns_used    9248
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      22.78
_cell_measurement_theta_min      2.23
_cell_volume                     36134(9)
_computing_cell_refinement       'Bruker Apex3 V.2017.3-0/SAINT V8.38A'
_computing_data_collection       'Bruker Apex3 V.2017.3-0'
_computing_data_reduction        'Bruker Apex3 V.2017.3-0/SAINT V8.38A'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker VENTURE CMOS area detector'
_diffrn_measurement_method       'shutterless omega and phi scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0841
_diffrn_reflns_av_unetI/netI     0.0574
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            405391
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        23.347
_diffrn_reflns_theta_max         23.347
_diffrn_reflns_theta_min         2.165
_diffrn_source                   'Incoatec IMuS microfocus Mo tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.126
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_correction_T_min  0.6833
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker AXScale'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.132
_exptl_crystal_description       block
_exptl_crystal_F_000             12880
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.504
_refine_diff_density_min         -0.867
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3781
_refine_ls_number_reflns         52201
_refine_ls_number_restraints     5148
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1382
_refine_ls_R_factor_gt           0.0890
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1735P)²+82.6293P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2539
_refine_ls_wR_factor_ref         0.2987
_reflns_Friedel_coverage         0.000
_reflns_number_gt                32597
_reflns_number_total             52201
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja0c00640_si_003.cif
_cod_data_source_block           s1_sq
_cod_depositor_comments
'Adding full bibliography for 4134686--4134687.cif.'
_cod_database_code               4134687
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.987
_shelx_estimated_absorpt_t_min   0.969
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Ternary CH refined with riding coordinates:
 C7(H7), C14(H14), C21(H21), C28(H28), C47(H47), C54(H54), C61(H61), C68(H68),
 C87(H87), C94(H94), C101(H101), C108(H108), C127(H127), C134(H134), C141(H141),
  C148(H148), C167(H167), C174(H174), C181(H181), C188(H188), C207(H207),
 C214(H214), C221(H221), C228(H228)
3.b Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C30(H30A,H30B), C32(H32A,H32B), C33(H33A,H33B), C35(H35A,
 H35B), C36(H36A,H36B), C38(H38A,H38B), C39(H39A,H39B), C69(H69A,H69B),
 C70(H70A,H70B), C72(H72A,H72B), C73(H73A,H73B), C75(H75A,H75B), C76(H76A,H76B),
  C78(H78A,H78B), C79(H79A,H79B), C109(H10A,H10B), C110(H11A,H11B), C112(H11F,
 H11G), C113(H11H,H11I), C115(H11M,H11N), C116(H11O,H11P), C118(H11T,H11U),
 C119(H11V,H11W), C149(H14A,H14B), C150(H15A,H15B), C152(H15F,H15G), C153(H15H,
 H15I), C155(H15M,H15N), C156(H15O,H15P), C158(H15T,H15U), C159(H15V,H15W),
 C189(H18A,H18B), C190(H19A,H19B), C192(H19F,H19G), C193(H19H,H19I), C195(H19M,
 H19N), C196(H19O,H19P), C198(H19T,H19U), C199(H19V,H19W), C229(H22A,H22B),
 C230(H23A,H23B), C232(H23F,H23G), C233(H23H,H23I), C235(H23M,H23N), C236(H23O,
 H23P), C238(H23T,H23U), C239(H23V,H23W), C241(H24D,H24E), C242(H24F,H24G),
 C243(H24H,H24I), C244(H24J,H24K), C245(H24L,H24M), C246(H24N,H24O), C247(H24P,
 H24Q), C248(H24R,H24S), C249(H24T,H24U), C250(H25A,H25B), C251(H25C,H25D),
 C252(H25E,H25F), C253(H25G,H25H), C254(H25I,H25J), C255(H25K,H25L), C256(H25M,
 H25N), C262(H26A,H26B), C263(H26C,H26D), C264(H26E,H26F), C265(H26G,H26H)
3.c Me refined with riding coordinates:
 C31(H31A,H31B,H31C), C34(H34A,H34B,H34C), C37(H37A,H37B,H37C), C40(H40A,H40B,
 H40C), C71(H71A,H71B,H71C), C74(H74A,H74B,H74C), C77(H77A,H77B,H77C), C80(H80A,
 H80B,H80C), C111(H11C,H11D,H11E), C114(H11J,H11K,H11L), C117(H11Q,H11R,H11S),
 C120(H12A,H12B,H12C), C151(H15C,H15D,H15E), C154(H15J,H15K,H15L), C157(H15Q,
 H15R,H15S), C160(H16A,H16B,H16C), C191(H19C,H19D,H19E), C194(H19J,H19K,H19L),
 C197(H19Q,H19R,H19S), C200(H20A,H20B,H20C), C231(H23C,H23D,H23E), C234(H23J,
 H23K,H23L), C237(H23Q,H23R,H23S), C240(H24A,H24B,H24C)
3.d Aromatic/amide H refined with riding coordinates:
 C5(H5), C13(H13), C20(H20), C27(H27), C45(H45), C53(H53), C60(H60), C67(H67),
 C85(H85), C93(H93), C99(H99), C107(H107), C125(H125), C133(H133), C140(H140),
 C147(H147), C165(H165), C173(H173), C180(H180), C187(H187), C205(H205),
 C213(H213), C220(H220), C227(H227), C257(H257), C258(H258), C259(H259),
 C260(H260), C261(H261)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg1 Mg 0.19506(6) 0.48535(5) 0.58633(7) 0.0429(5) Uani 1 1 d . U . . .
Mg2 Mg 0.14709(6) 0.45039(5) 0.69422(8) 0.0430(5) Uani 1 1 d . U . . .
Mg3 Mg -0.04891(5) 0.63329(5) 0.28041(7) 0.0377(5) Uani 1 1 d . U . . .
Mg4 Mg -0.01313(5) 0.31529(5) 0.62555(7) 0.0396(5) Uani 1 1 d . U . . .
Mg5 Mg 0.02743(5) 0.69977(6) 0.55654(7) 0.0451(5) Uani 1 1 d . U . . .
Mg6 Mg 0.01900(5) 0.32970(6) 0.32942(8) 0.0500(5) Uani 1 1 d . U . . .
Mg7 Mg 0.12117(6) 0.41584(6) 0.31677(8) 0.0564(6) Uani 1 1 d . U . . .
Mg8 Mg 0.18665(6) 0.46915(5) 0.40561(8) 0.0553(6) Uani 1 1 d . U . . .
Mg9 Mg -0.08222(5) 0.34676(6) 0.33187(7) 0.0458(5) Uani 1 1 d . U . . .
Mg10 Mg -0.16219(6) 0.45035(5) 0.31777(7) 0.0423(5) Uani 1 1 d . U . . .
Mg11 Mg 0.05176(5) 0.62173(6) 0.28017(8) 0.0463(5) Uani 1 1 d . U . . .
Mg12 Mg 0.13189(6) 0.51697(6) 0.29952(9) 0.0564(6) Uani 1 1 d . U . . .
Mg13 Mg 0.35641(5) 0.40303(5) 0.82464(8) 0.0439(5) Uani 1 1 d . U . . .
Mg14 Mg 0.69517(6) 0.55307(5) 1.07508(8) 0.0527(6) Uani 1 1 d . U . . .
Mg15 Mg 0.67881(8) 0.54295(7) 0.89142(10) 0.0722(7) Uani 1 1 d . U . . .
Mg16 Mg 0.39203(7) 0.42652(7) 1.20897(9) 0.0648(7) Uani 1 1 d . U . . .
Mg17 Mg 0.50496(6) 0.35978(7) 1.21159(9) 0.0620(6) Uani 1 1 d . U . . .
Mg18 Mg 0.55783(6) 0.31684(6) 1.11325(9) 0.0578(6) Uani 1 1 d . U . . .
Mg19 Mg 0.54076(6) 0.30808(7) 0.92976(9) 0.0661(7) Uani 1 1 d . U . . .
Mg20 Mg 0.56762(6) 0.36315(8) 0.82024(9) 0.0692(7) Uani 1 1 d . U . . .
Mg21 Mg 0.63450(7) 0.47506(6) 0.80053(9) 0.0650(7) Uani 1 1 d . U . . .
Mg22 Mg 0.66677(5) 0.49771(5) 1.18277(8) 0.0413(5) Uani 1 1 d . U . . .
Mg23 Mg 0.60330(6) 0.38505(6) 1.20297(9) 0.0561(6) Uani 1 1 d . U . . .
Mg24 Mg 0.46988(6) 0.33676(8) 0.82760(10) 0.0731(8) Uani 1 1 d . U . . .
O1 O 0.20677(11) 0.43925(10) 0.54828(15) 0.0439(10) Uani 1 1 d . U . . .
O1W O 0.2400(3) 0.3906(5) 0.3188(5) 0.330(11) Uani 1 1 d . U . . .
O01Y O 0.71630(10) 0.51483(10) 1.22099(15) 0.0437(10) Uani 1 1 d . U . . .
O2 O 0.17011(11) 0.44975(9) 0.62909(14) 0.0426(10) Uani 1 1 d . U . . .
O3 O 0.15076(10) 0.39461(9) 0.68872(14) 0.0365(9) Uani 1 1 d . U . . .
O4 O 0.09942(9) 0.35308(9) 0.69885(13) 0.0334(8) Uani 1 1 d . U . . .
O5 O 0.03310(9) 0.33342(10) 0.66225(14) 0.0373(9) Uani 1 1 d . U . . .
O6 O 0.02142(9) 0.28710(10) 0.58339(13) 0.0349(9) Uani 1 1 d . U . . .
O7 O 0.01418(9) 0.28054(11) 0.49125(14) 0.0395(9) Uani 1 1 d . U . . .
O8 O 0.01286(10) 0.31098(11) 0.39895(14) 0.0449(10) Uani 1 1 d . U . . .
O9 O 0.07301(10) 0.32171(10) 0.35164(14) 0.0405(9) Uani 1 1 d . U . . .
O10 O 0.12473(11) 0.36457(10) 0.34500(15) 0.0457(10) Uani 1 1 d . U . . .
O11 O 0.15791(12) 0.42706(10) 0.37480(16) 0.0524(11) Uani 1 1 d . U . . .
O12 O 0.20516(10) 0.43115(9) 0.45668(14) 0.0396(9) Uani 1 1 d . U . . .
O13 O 0.03117(10) 0.35701(11) 0.26558(14) 0.0426(9) Uani 1 1 d . U . . .
O14 O -0.03120(11) 0.34796(11) 0.30796(14) 0.0474(10) Uani 1 1 d . U . . .
O15 O -0.09501(10) 0.37344(10) 0.26644(13) 0.0389(9) Uani 1 1 d . U . . .
O16 O -0.13383(10) 0.42768(9) 0.26293(13) 0.0350(9) Uani 1 1 d . U . . .
O17 O -0.14002(10) 0.49607(9) 0.29487(13) 0.0354(9) Uani 1 1 d . U . . .
O18 O -0.12030(9) 0.55337(9) 0.24166(13) 0.0333(8) Uani 1 1 d . U . . .
O19 O -0.06906(10) 0.59355(10) 0.23253(14) 0.0374(9) Uani 1 1 d . U . . .
O20 O -0.00114(10) 0.61211(10) 0.26480(14) 0.0402(9) Uani 1 1 d . U . . .
O21 O 0.05710(10) 0.58147(10) 0.22782(14) 0.0401(9) Uani 1 1 d . U . . .
O22 O 0.09699(11) 0.52733(10) 0.23728(15) 0.0445(10) Uani 1 1 d . U . . .
O23 O 0.11284(12) 0.46587(11) 0.28758(16) 0.0530(11) Uani 1 1 d . U . . .
O24 O 0.08204(11) 0.40228(10) 0.26031(15) 0.0465(10) Uani 1 1 d . U . . .
O25 O 0.14684(11) 0.57001(10) 0.30941(15) 0.0477(10) Uani 1 1 d . U . . .
O26 O 0.16479(12) 0.51014(10) 0.36326(16) 0.0536(11) Uani 1 1 d . U . . .
O27 O 0.21215(10) 0.51074(9) 0.44529(14) 0.0402(9) Uani 1 1 d . U . . .
O28 O 0.22010(10) 0.51841(9) 0.53806(13) 0.0340(8) Uani 1 1 d . U . . .
O29 O 0.18786(10) 0.53240(9) 0.62333(14) 0.0370(9) Uani 1 1 d . U . . .
O30 O 0.17745(10) 0.59972(9) 0.65603(14) 0.0376(9) Uani 1 1 d . U . . .
O31 O 0.13350(10) 0.65235(10) 0.64527(14) 0.0379(9) Uani 1 1 d . U . . .
O32 O 0.07132(10) 0.67828(11) 0.59954(14) 0.0438(10) Uani 1 1 d . U . . .
O33 O 0.06665(9) 0.70957(10) 0.50915(14) 0.0386(9) Uani 1 1 d . U . . .
O34 O 0.05896(9) 0.70340(10) 0.41551(14) 0.0365(9) Uani 1 1 d . U . . .
O35 O 0.05028(9) 0.65647(11) 0.33858(14) 0.0431(10) Uani 1 1 d . U . . .
O36 O 0.10595(10) 0.62306(10) 0.30009(14) 0.0387(9) Uani 1 1 d . U . . .
O37 O 0.36507(10) 0.35134(10) 0.85078(15) 0.0429(9) Uani 1 1 d . U . . .
O38 O 0.32956(10) 0.40809(10) 0.88746(14) 0.0408(9) Uani 1 1 d . U . . .
O39 O 0.29824(10) 0.40500(10) 0.97467(15) 0.0428(10) Uani 1 1 d . U . . .
O40 O 0.30839(11) 0.41092(11) 1.06870(16) 0.0481(10) Uani 1 1 d . U . . .
O41 O 0.35583(12) 0.42444(11) 1.14866(17) 0.0587(12) Uani 1 1 d . U . . .
O42 O 0.39703(11) 0.37249(11) 1.19471(16) 0.0530(11) Uani 1 1 d . U . . .
O43 O 0.45418(11) 0.33726(12) 1.19874(17) 0.0534(11) Uani 1 1 d . U . . .
O44 O 0.51506(11) 0.33020(12) 1.15072(17) 0.0551(11) Uani 1 1 d . U . . .
O45 O 0.52005(11) 0.28537(11) 1.07272(16) 0.0506(10) Uani 1 1 d . U . . .
O46 O 0.51181(10) 0.28026(11) 0.97936(16) 0.0512(11) Uani 1 1 d . U . . .
O47 O 0.49152(11) 0.31608(13) 0.89361(17) 0.0587(12) Uani 1 1 d . U . . .
O48 O 0.42317(11) 0.31779(11) 0.85272(16) 0.0501(11) Uani 1 1 d . U . . .
O49 O 0.58837(11) 0.30169(11) 0.97378(16) 0.0478(10) Uani 1 1 d . U . . .
O50 O 0.57198(11) 0.33787(13) 0.88729(16) 0.0575(12) Uani 1 1 d . U . . .
O51 O 0.62227(11) 0.37016(12) 0.83617(16) 0.0537(11) Uani 1 1 d . U . . .
O52 O 0.65665(12) 0.42678(12) 0.82470(16) 0.0563(12) Uani 1 1 d . U . . .
O53 O 0.66606(13) 0.49490(12) 0.85920(17) 0.0606(12) Uani 1 1 d . U . . .
O54 O 0.71300(11) 0.51184(11) 0.93793(16) 0.0509(11) Uani 1 1 d . U . . .
O55 O 0.71874(11) 0.51636(10) 1.03045(15) 0.0439(10) Uani 1 1 d . U . . .
O56 O 0.68535(10) 0.50889(10) 1.11528(14) 0.0408(9) Uani 1 1 d . U . . .
O57 O 0.68656(10) 0.44704(9) 1.16813(14) 0.0360(9) Uani 1 1 d . U . . .
O58 O 0.65377(10) 0.39009(10) 1.17822(15) 0.0418(9) Uani 1 1 d . U . . .
O59 O 0.59637(10) 0.34962(11) 1.14626(16) 0.0479(10) Uani 1 1 d . U . . .
O60 O 0.59745(10) 0.30399(10) 1.06750(15) 0.0451(10) Uani 1 1 d . U . . .
O61 O 0.64745(10) 0.48157(10) 1.25022(14) 0.0392(9) Uani 1 1 d . U . . .
O62 O 0.64476(10) 0.54553(10) 1.20060(14) 0.0387(9) Uani 1 1 d . U . . .
O63 O 0.61380(10) 0.60465(10) 1.23593(14) 0.0402(9) Uani 1 1 d . U . . .
O64 O 0.55581(10) 0.63835(11) 1.23378(15) 0.0459(10) Uani 1 1 d . U . . .
O65 O 0.48640(11) 0.63814(13) 1.19634(16) 0.0606(13) Uani 1 1 d . U . . .
O66 O 0.43371(10) 0.60615(12) 1.24347(15) 0.0517(11) Uani 1 1 d . U . . .
O67 O 0.39953(12) 0.54915(12) 1.25362(17) 0.0590(12) Uani 1 1 d . U . . .
O68 O 0.39268(12) 0.48003(12) 1.22334(16) 0.0587(12) Uani 1 1 d . U . . .
O69 O 0.43233(11) 0.42615(11) 1.26728(15) 0.0510(10) Uani 1 1 d . U . . .
O70 O 0.48976(11) 0.39178(11) 1.26897(16) 0.0500(10) Uani 1 1 d . U . . .
O71 O 0.55263(11) 0.38647(12) 1.22557(16) 0.0532(11) Uani 1 1 d . U . . .
O72 O 0.61132(11) 0.42541(11) 1.25596(15) 0.0449(10) Uani 1 1 d . U . . .
O73 O 0.24480(12) 0.47972(12) 0.63344(17) 0.0585(12) Uani 1 1 d . U . . .
O74 O 0.27477(12) 0.43082(11) 0.70433(15) 0.0493(10) Uani 1 1 d . U . . .
O75 O 0.30734(11) 0.38781(11) 0.78440(15) 0.0468(10) Uani 1 1 d . U . . .
O76 O 0.03904(14) 0.75279(13) 0.58312(19) 0.0727(14) Uani 1 1 d . U . . .
O77 O 0.0542(3) 0.8199(3) 0.6193(3) 0.186(5) Uani 1 1 d . U . . .
O78 O 0.05491(12) 0.83694(12) 0.72625(17) 0.0595(12) Uani 1 1 d . U . . .
O79 O -0.09266(12) 0.29564(12) 0.29966(17) 0.0579(12) Uani 1 1 d . U . . .
O80 O -0.07077(13) 0.27455(12) 0.20717(17) 0.0602(12) Uani 1 1 d . U . . .
O81 O -0.01496(12) 0.22977(11) 0.17257(16) 0.0543(11) Uani 1 1 d . U . . .
O82 O 0.74530(11) 0.56313(12) 1.11810(18) 0.0597(12) Uani 1 1 d . U . . .
O83 O 0.78334(10) 0.50838(12) 1.18243(15) 0.0506(11) Uani 1 1 d . U . . .
O84 O 0.79057(11) 0.45995(10) 1.26680(15) 0.0464(10) Uani 1 1 d . U . . .
O85 O 0.01407(13) 0.27924(14) 0.28741(18) 0.0646(12) Uani 1 1 d . U . . .
O86 O -0.03213(15) 0.25988(15) 0.3243(2) 0.0800(15) Uani 1 1 d . U . . .
O87 O -0.00693(15) 0.22492(13) 0.27286(18) 0.0716(14) Uani 1 1 d . U . . .
O88 O 0.14295(15) 0.49476(17) 0.5423(2) 0.0980(18) Uani 1 1 d . U . . .
O89 O 0.20077(11) 0.45237(10) 0.72999(16) 0.0481(10) Uani 1 1 d . U . . .
O90 O 0.09450(19) 0.4497(2) 0.6473(3) 0.125(2) Uani 1 1 d . U . . .
O91 O -0.0451(3) 0.5913(2) 0.3448(3) 0.156(3) Uani 1 1 d . U . . .
O92 O -0.01037(16) 0.36236(15) 0.5762(2) 0.0885(17) Uani 1 1 d . U . . .
O93 O 0.01990(16) 0.64520(15) 0.5273(2) 0.0882(17) Uani 1 1 d . U . . .
O94 O 0.0225(3) 0.3842(2) 0.3700(3) 0.155(3) Uani 1 1 d . U . . .
O95 O 0.16256(15) 0.40222(16) 0.2668(2) 0.0839(15) Uani 1 1 d . U . . .
O096 O 0.61420(16) 0.48501(19) 1.1430(3) 0.106(2) Uani 1 1 d . U . . .
O96 O 0.07856(19) 0.42862(19) 0.3679(2) 0.111(2) Uani 1 1 d . U . . .
O97 O 0.23035(19) 0.46228(16) 0.3610(3) 0.110(2) Uani 1 1 d . U . . .
O98 O 0.1371(2) 0.4756(2) 0.4506(4) 0.151(3) Uani 1 1 d . U . . .
O99 O -0.06821(18) 0.39794(17) 0.3713(2) 0.0988(19) Uani 1 1 d . U . . .
O100 O -0.1133(2) 0.4459(3) 0.3754(3) 0.152(3) Uani 1 1 d . U . . .
O101 O 0.0457(2) 0.5789(2) 0.3409(3) 0.143(3) Uani 1 1 d . U . . .
O102 O 0.17508(15) 0.50773(15) 0.2528(2) 0.0850(16) Uani 1 1 d . U . . .
O103 O 0.0879(2) 0.5242(2) 0.3503(3) 0.118(2) Uani 1 1 d . U . . .
O104 O 0.40528(18) 0.4201(2) 0.8735(3) 0.123(2) Uani 1 1 d . U . . .
O105 O 0.64022(18) 0.5434(2) 1.0339(3) 0.125(2) Uani 1 1 d . U . . .
O108 O 0.35299(16) 0.4145(2) 1.2627(3) 0.112(2) Uani 1 1 d . U . . .
O109 O 0.4328(2) 0.4388(2) 1.1537(3) 0.132(3) Uani 1 1 d . U . . .
O110 O 0.52315(18) 0.31630(18) 1.2604(3) 0.108(2) Uani 1 1 d . U . . .
O111 O 0.4893(2) 0.4040(2) 1.1555(3) 0.138(3) Uani 1 1 d . U . . .
O112 O 0.57222(15) 0.27357(15) 1.1634(2) 0.0858(16) Uani 1 1 d . U . . .
O113 O 0.5417(2) 0.3651(2) 1.0641(3) 0.131(2) Uani 1 1 d . U . . .
O114 O 0.54985(18) 0.26112(19) 0.8851(3) 0.116(2) Uani 1 1 d . U . . .
O115 O 0.5304(2) 0.3598(2) 0.9720(4) 0.146(3) Uani 1 1 d . U . . .
O116 O 0.57569(16) 0.31396(17) 0.7787(2) 0.0984(19) Uani 1 1 d . U . . .
O117 O 0.5576(3) 0.4160(3) 0.8650(4) 0.179(4) Uani 1 1 d . U . . .
O118 O 0.67437(16) 0.48219(19) 0.7495(2) 0.1009(19) Uani 1 1 d . U . . .
O119 O 0.5918(2) 0.4692(3) 0.8558(3) 0.142(3) Uani 1 1 d . U . . .
O120 O 0.7203(2) 0.5535(2) 0.8409(3) 0.137(3) Uani 1 1 d . U . . .
O121 O 0.6324(2) 0.5320(2) 0.9383(3) 0.138(3) Uani 1 1 d . U . . .
O122 O 0.62244(16) 0.34649(14) 1.2580(2) 0.0846(16) Uani 1 1 d . U . . .
O123 O 0.5822(2) 0.4260(2) 1.1434(3) 0.130(2) Uani 1 1 d . U . . .
O124 O 0.4808(2) 0.2870(2) 0.7896(3) 0.131(3) Uani 1 1 d . U . . .
O125 O 0.4624(3) 0.3893(2) 0.8748(4) 0.168(4) Uani 1 1 d . U . . .
O126 O 0.18305(11) 0.37106(11) 0.78153(16) 0.0499(11) Uani 1 1 d . U . . .
O127 O 0.18864(14) 0.36565(14) 0.88997(19) 0.0733(14) Uani 1 1 d . U . . .
O128 O 0.24791(11) 0.37089(12) 0.83294(16) 0.0535(11) Uani 1 1 d . U . . .
N1 N -0.00747(19) 0.25431(17) 0.2945(2) 0.0646(15) Uani 1 1 d . U . . .
N2 N -0.05243(15) 0.67056(13) 0.2173(2) 0.0518(13) Uani 1 1 d . U . . .
C1 C 0.19826(14) 0.40892(14) 0.5752(2) 0.0331(12) Uani 1 1 d . U . . .
C2 C 0.17927(15) 0.41526(14) 0.6178(2) 0.0350(12) Uani 1 1 d . U . . .
C3 C 0.16962(13) 0.38631(13) 0.64772(19) 0.0288(11) Uani 1 1 d . U . . .
C4 C 0.17848(13) 0.35097(13) 0.6347(2) 0.0284(11) Uani 1 1 d . U . . .
C5 C 0.19748(13) 0.34585(14) 0.5923(2) 0.0299(11) Uani 1 1 d . U . . .
H5 H 0.203233 0.321759 0.583300 0.036 Uiso 1 1 calc R . . . .
C6 C 0.20854(13) 0.37389(13) 0.56247(19) 0.0288(11) Uani 1 1 d . U . . .
C7 C 0.16483(13) 0.31942(13) 0.6656(2) 0.0304(12) Uani 1 1 d . U . . .
H7 H 0.162758 0.328752 0.700661 0.036 Uiso 1 1 calc R . . . .
C8 C 0.12685(13) 0.30891(13) 0.64456(19) 0.0280(11) Uani 1 1 d . U . . .
C9 C 0.09680(14) 0.32635(13) 0.6621(2) 0.0307(12) Uani 1 1 d . U . . .
C10 C 0.06172(14) 0.31763(13) 0.6430(2) 0.0302(11) Uani 1 1 d . U . . .
C11 C 0.05666(14) 0.29260(14) 0.60285(19) 0.0304(11) Uani 1 1 d . U . . .
C12 C 0.08610(14) 0.27500(13) 0.58469(19) 0.0288(11) Uani 1 1 d . U . . .
C13 C 0.12045(14) 0.28377(13) 0.6059(2) 0.0302(12) Uani 1 1 d . U . . .
H13 H 0.140676 0.271956 0.593412 0.036 Uiso 1 1 calc R . . . .
C14 C 0.08015(15) 0.24812(14) 0.5411(2) 0.0341(12) Uani 1 1 d . U . . .
H14 H 0.055600 0.237309 0.543595 0.041 Uiso 1 1 calc R . . . .
C15 C 0.07862(14) 0.26783(13) 0.4908(2) 0.0297(11) Uani 1 1 d . U . . .
C16 C 0.04589(14) 0.28178(14) 0.46864(19) 0.0322(12) Uani 1 1 d . U . . .
C17 C 0.04465(14) 0.29867(15) 0.4211(2) 0.0334(12) Uani 1 1 d . U . . .
C18 C 0.07656(14) 0.30318(14) 0.3970(2) 0.0331(12) Uani 1 1 d . U . . .
C19 C 0.10958(14) 0.28975(13) 0.4183(2) 0.0313(11) Uani 1 1 d . U . . .
C20 C 0.10958(14) 0.27247(13) 0.4648(2) 0.0321(12) Uani 1 1 d . U . . .
H20 H 0.131924 0.263294 0.479830 0.038 Uiso 1 1 calc R . . . .
C21 C 0.14416(14) 0.29524(14) 0.3919(2) 0.0339(12) Uani 1 1 d . U . . .
H21 H 0.136620 0.297949 0.354971 0.041 Uiso 1 1 calc R . . . .
C22 C 0.16199(13) 0.33103(14) 0.4093(2) 0.0301(11) Uani 1 1 d . U . . .
C23 C 0.15125(14) 0.36301(14) 0.3845(2) 0.0347(12) Uani 1 1 d . U . . .
C24 C 0.16702(15) 0.39622(14) 0.3999(2) 0.0372(13) Uani 1 1 d . U . . .
C25 C 0.19259(14) 0.39724(14) 0.4427(2) 0.0321(12) Uani 1 1 d . U . . .
C26 C 0.20269(13) 0.36578(14) 0.4689(2) 0.0296(11) Uani 1 1 d . U . . .
C27 C 0.18725(13) 0.33313(14) 0.4508(2) 0.0313(12) Uani 1 1 d . U . . .
H27 H 0.194450 0.311338 0.467859 0.038 Uiso 1 1 calc R . . . .
C28 C 0.22902(14) 0.36763(14) 0.5160(2) 0.0320(12) Uani 1 1 d . U . . .
H28 H 0.244316 0.389635 0.512272 0.038 Uiso 1 1 calc R . . . .
C29 C 0.19128(15) 0.28709(14) 0.6703(2) 0.0377(13) Uani 1 1 d . U . . .
H29A H 0.179866 0.267182 0.688281 0.045 Uiso 1 1 calc R . . . .
H29B H 0.195173 0.278322 0.635914 0.045 Uiso 1 1 calc R . . . .
C30 C 0.22771(15) 0.29548(17) 0.6978(3) 0.0495(16) Uani 1 1 d . U . . .
H30A H 0.224264 0.301322 0.733514 0.059 Uiso 1 1 calc R . . . .
H30B H 0.238032 0.317145 0.682358 0.059 Uiso 1 1 calc R . . . .
C31 C 0.25437(19) 0.2645(2) 0.6964(3) 0.080(2) Uani 1 1 d . U . . .
H31A H 0.277422 0.271369 0.714710 0.120 Uiso 1 1 calc R . . . .
H31B H 0.244586 0.243063 0.712334 0.120 Uiso 1 1 calc R . . . .
H31C H 0.258361 0.258893 0.661155 0.120 Uiso 1 1 calc R . . . .
C32 C 0.10730(15) 0.21638(14) 0.5451(2) 0.0405(14) Uani 1 1 d . U . . .
H32A H 0.131981 0.226176 0.542671 0.049 Uiso 1 1 calc R . . . .
H32B H 0.106742 0.205163 0.578932 0.049 Uiso 1 1 calc R . . . .
C33 C 0.1004(2) 0.18759(19) 0.5059(3) 0.073(2) Uani 1 1 d . U . . .
H33A H 0.099827 0.198535 0.471771 0.088 Uiso 1 1 calc R . . . .
H33B H 0.076617 0.176150 0.509560 0.088 Uiso 1 1 calc R . . . .
C34 C 0.1306(3) 0.1586(3) 0.5117(5) 0.131(5) Uani 1 1 d . U . . .
H34A H 0.125797 0.139824 0.485849 0.196 Uiso 1 1 calc R . . . .
H34B H 0.154073 0.169887 0.507658 0.196 Uiso 1 1 calc R . . . .
H34C H 0.130906 0.147544 0.545377 0.196 Uiso 1 1 calc R . . . .
C35 C 0.16985(15) 0.26274(15) 0.3970(2) 0.0424(14) Uani 1 1 d . U . . .
H35A H 0.179842 0.260699 0.432729 0.051 Uiso 1 1 calc R . . . .
H35B H 0.155940 0.240381 0.388331 0.051 Uiso 1 1 calc R . . . .
C36 C 0.20088(19) 0.2655(2) 0.3636(3) 0.0659(19) Uani 1 1 d . U . . .
H36A H 0.213665 0.288701 0.371099 0.079 Uiso 1 1 calc R . . . .
H36B H 0.218230 0.245726 0.372768 0.079 Uiso 1 1 calc R . . . .
C37 C 0.1911(3) 0.2638(3) 0.3093(4) 0.116(4) Uani 1 1 d . U . . .
H37A H 0.213016 0.265805 0.291226 0.174 Uiso 1 1 calc R . . . .
H37B H 0.179132 0.240596 0.300972 0.174 Uiso 1 1 calc R . . . .
H37C H 0.174554 0.283697 0.299297 0.174 Uiso 1 1 calc R . . . .
C38 C 0.25514(15) 0.33518(15) 0.5209(2) 0.0385(13) Uani 1 1 d . U . . .
H38A H 0.240776 0.312955 0.525359 0.046 Uiso 1 1 calc R . . . .
H38B H 0.266711 0.332653 0.488795 0.046 Uiso 1 1 calc R . . . .
C39 C 0.28439(17) 0.33729(18) 0.5634(3) 0.0544(17) Uani 1 1 d . U . . .
H39A H 0.273116 0.336914 0.595976 0.065 Uiso 1 1 calc R . . . .
H39B H 0.297348 0.360624 0.561258 0.065 Uiso 1 1 calc R . . . .
C40 C 0.3118(2) 0.3063(2) 0.5630(3) 0.076(2) Uani 1 1 d . U . . .
H40A H 0.330173 0.309166 0.591537 0.115 Uiso 1 1 calc R . . . .
H40B H 0.299270 0.283156 0.565978 0.115 Uiso 1 1 calc R . . . .
H40C H 0.323517 0.306882 0.531237 0.115 Uiso 1 1 calc R . . . .
C41 C 0.00018(15) 0.36952(15) 0.2392(2) 0.0351(12) Uani 1 1 d . U . . .
C42 C -0.03206(15) 0.36448(15) 0.2633(2) 0.0380(13) Uani 1 1 d . U . . .
C43 C -0.06539(15) 0.37787(14) 0.2401(2) 0.0346(12) Uani 1 1 d . U . . .
C44 C -0.06611(14) 0.39484(14) 0.19310(19) 0.0302(11) Uani 1 1 d . U . . .
C45 C -0.03423(14) 0.39882(13) 0.17117(19) 0.0298(11) Uani 1 1 d . U . . .
H45 H -0.035038 0.410634 0.139279 0.036 Uiso 1 1 calc R . . . .
C46 C 0.00009(14) 0.38653(14) 0.19269(19) 0.0321(12) Uani 1 1 d . U . . .
C47 C -0.10184(14) 0.40959(14) 0.16858(19) 0.0319(12) Uani 1 1 d . U . . .
H47 H -0.121443 0.394665 0.181987 0.038 Uiso 1 1 calc R . . . .
C48 C -0.10726(13) 0.44824(14) 0.18715(19) 0.0295(11) Uani 1 1 d . U . . .
C49 C -0.12147(13) 0.45457(13) 0.23306(19) 0.0287(11) Uani 1 1 d . U . . .
C50 C -0.12531(14) 0.49008(14) 0.25069(19) 0.0290(11) Uani 1 1 d . U . . .
C51 C -0.11482(13) 0.51948(13) 0.2218(2) 0.0293(11) Uani 1 1 d . U . . .
C52 C -0.10011(13) 0.51360(14) 0.17605(19) 0.0300(11) Uani 1 1 d . U . . .
C53 C -0.09650(13) 0.47819(14) 0.15979(19) 0.0299(11) Uani 1 1 d . U . . .
H53 H -0.086247 0.474080 0.128641 0.036 Uiso 1 1 calc R . . . .
C54 C -0.08644(14) 0.54576(15) 0.1471(2) 0.0336(12) Uani 1 1 d . U . . .
H54 H -0.101795 0.567003 0.154850 0.040 Uiso 1 1 calc R . . . .
C55 C -0.04757(14) 0.55498(13) 0.16704(19) 0.0292(11) Uani 1 1 d . U . . .
C56 C -0.04200(14) 0.57799(14) 0.2081(2) 0.0330(12) Uani 1 1 d . U . . .
C57 C -0.00642(15) 0.58752(14) 0.2268(2) 0.0340(12) Uani 1 1 d . U . . .
C58 C 0.02305(14) 0.57139(14) 0.2055(2) 0.0335(12) Uani 1 1 d . U . . .
C59 C 0.01806(14) 0.54771(14) 0.16503(19) 0.0322(12) Uani 1 1 d . U . . .
C60 C -0.01748(14) 0.53989(14) 0.14717(19) 0.0327(12) Uani 1 1 d . U . . .
H60 H -0.021373 0.523302 0.119878 0.039 Uiso 1 1 calc R . . . .
C61 C 0.05054(15) 0.52963(15) 0.1431(2) 0.0356(12) Uani 1 1 d . U . . .
H61 H 0.071670 0.546300 0.149973 0.043 Uiso 1 1 calc R . . . .
C62 C 0.05957(14) 0.49466(15) 0.1730(2) 0.0337(12) Uani 1 1 d . U . . .
C63 C 0.08207(15) 0.49628(15) 0.2177(2) 0.0374(13) Uani 1 1 d . U . . .
C64 C 0.08994(16) 0.46427(15) 0.2457(2) 0.0426(14) Uani 1 1 d . U . . .
C65 C 0.07414(16) 0.43105(15) 0.2300(2) 0.0387(13) Uani 1 1 d . U . . .
C66 C 0.05179(14) 0.42939(15) 0.18520(19) 0.0335(12) Uani 1 1 d . U . . .
C67 C 0.04535(14) 0.46120(15) 0.1578(2) 0.0346(12) Uani 1 1 d . U . . .
H67 H 0.030371 0.459978 0.126984 0.042 Uiso 1 1 calc R . . . .
C68 C 0.03468(15) 0.39298(15) 0.16817(19) 0.0343(12) Uani 1 1 d . U . . .
H68 H 0.051998 0.373805 0.181537 0.041 Uiso 1 1 calc R . . . .
C69 C -0.10656(16) 0.40595(15) 0.1110(2) 0.0382(13) Uani 1 1 d . U . . .
H69A H -0.130093 0.416778 0.098577 0.046 Uiso 1 1 calc R . . . .
H69B H -0.087206 0.419964 0.096328 0.046 Uiso 1 1 calc R . . . .
C70 C -0.1053(2) 0.36724(17) 0.0924(2) 0.0550(17) Uani 1 1 d . U . . .
H70A H -0.082829 0.355653 0.107362 0.066 Uiso 1 1 calc R . . . .
H70B H -0.126104 0.353778 0.104297 0.066 Uiso 1 1 calc R . . . .
C71 C -0.1065(3) 0.3642(2) 0.0359(3) 0.092(3) Uani 1 1 d . U . . .
H71A H -0.105658 0.338628 0.026245 0.139 Uiso 1 1 calc R . . . .
H71B H -0.129026 0.375094 0.020697 0.139 Uiso 1 1 calc R . . . .
H71C H -0.085714 0.376970 0.023765 0.139 Uiso 1 1 calc R . . . .
C72 C -0.09039(16) 0.54081(16) 0.0894(2) 0.0413(14) Uani 1 1 d . U . . .
H72A H -0.073992 0.521130 0.080290 0.050 Uiso 1 1 calc R . . . .
H72B H -0.115534 0.533168 0.078972 0.050 Uiso 1 1 calc R . . . .
C73 C -0.0819(2) 0.5745(2) 0.0604(2) 0.0604(18) Uani 1 1 d . U . . .
H73A H -0.100856 0.592932 0.064816 0.073 Uiso 1 1 calc R . . . .
H73B H -0.058450 0.584544 0.074650 0.073 Uiso 1 1 calc R . . . .
C74 C -0.0801(3) 0.5675(3) 0.0056(3) 0.109(3) Uani 1 1 d . U . . .
H74A H -0.074519 0.590074 -0.011485 0.163 Uiso 1 1 calc R . . . .
H74B H -0.060995 0.549640 0.001024 0.163 Uiso 1 1 calc R . . . .
H74C H -0.103406 0.558028 -0.008812 0.163 Uiso 1 1 calc R . . . .
C75 C 0.04578(16) 0.52388(16) 0.0863(2) 0.0394(13) Uani 1 1 d . U . . .
H75A H 0.067024 0.510361 0.075874 0.047 Uiso 1 1 calc R . . . .
H75B H 0.024100 0.508573 0.078234 0.047 Uiso 1 1 calc R . . . .
C76 C 0.04165(16) 0.55810(17) 0.0554(2) 0.0433(14) Uani 1 1 d . U . . .
H76A H 0.063007 0.573783 0.063670 0.052 Uiso 1 1 calc R . . . .
H76B H 0.019925 0.571351 0.064652 0.052 Uiso 1 1 calc R . . . .
C77 C 0.0380(2) 0.5508(2) -0.0014(2) 0.0599(18) Uani 1 1 d . U . . .
H77A H 0.035392 0.573813 -0.019719 0.090 Uiso 1 1 calc R . . . .
H77B H 0.059666 0.538139 -0.010964 0.090 Uiso 1 1 calc R . . . .
H77C H 0.016576 0.535707 -0.009982 0.090 Uiso 1 1 calc R . . . .
C78 C 0.03059(16) 0.38817(16) 0.1105(2) 0.0403(14) Uani 1 1 d . U . . .
H78A H 0.012273 0.405533 0.095710 0.048 Uiso 1 1 calc R . . . .
H78B H 0.053961 0.393911 0.096709 0.048 Uiso 1 1 calc R . . . .
C79 C 0.0192(2) 0.34974(19) 0.0946(3) 0.0596(18) Uani 1 1 d . U . . .
H79A H 0.039704 0.333114 0.103403 0.072 Uiso 1 1 calc R . . . .
H79B H -0.001136 0.342189 0.114215 0.072 Uiso 1 1 calc R . . . .
C80 C 0.0078(3) 0.3458(2) 0.0399(3) 0.084(3) Uani 1 1 d . U . . .
H80A H 0.000880 0.320576 0.032624 0.127 Uiso 1 1 calc R . . . .
H80B H -0.013013 0.361643 0.030859 0.127 Uiso 1 1 calc R . . . .
H80C H 0.027887 0.352555 0.020031 0.127 Uiso 1 1 calc R . . . .
C81 C 0.17314(15) 0.57328(15) 0.3496(2) 0.0379(13) Uani 1 1 d . U . . .
C82 C 0.18139(15) 0.54179(15) 0.3766(2) 0.0397(13) Uani 1 1 d . U . . .
C83 C 0.20704(14) 0.54275(14) 0.4194(2) 0.0341(12) Uani 1 1 d . U . . .
C84 C 0.22464(14) 0.57464(14) 0.4332(2) 0.0316(12) Uani 1 1 d . U . . .
C85 C 0.21636(14) 0.60561(14) 0.4040(2) 0.0324(12) Uani 1 1 d . U . . .
H85 H 0.228729 0.627510 0.413065 0.039 Uiso 1 1 calc R . . . .
C86 C 0.19068(14) 0.60585(14) 0.3621(2) 0.0330(12) Uani 1 1 d . U . . .
C87 C 0.25190(14) 0.57561(14) 0.4796(2) 0.0314(12) Uani 1 1 d . U . . .
H87 H 0.262338 0.550677 0.483305 0.038 Uiso 1 1 calc R . . . .
C88 C 0.23292(13) 0.58272(14) 0.5266(2) 0.0300(11) Uani 1 1 d . U . . .
C89 C 0.21823(14) 0.55402(13) 0.55329(19) 0.0289(11) Uani 1 1 d . U . . .
C90 C 0.20093(14) 0.56027(13) 0.59711(19) 0.0291(11) Uani 1 1 d . U . . .
C91 C 0.19585(14) 0.59591(13) 0.61333(19) 0.0291(11) Uani 1 1 d . U . . .
C92 C 0.20954(14) 0.62525(14) 0.5875(2) 0.0309(11) Uani 1 1 d . U . . .
C93 C 0.22760(14) 0.61766(14) 0.5450(2) 0.0311(12) Uani 1 1 d . U . . .
H93 H 0.236925 0.637448 0.527193 0.037 Uiso 1 1 calc R . . . .
C94 C 0.20300(14) 0.66382(14) 0.6050(2) 0.0336(12) Uani 1 1 d . U . . .
H94 H 0.200105 0.662498 0.642124 0.040 Uiso 1 1 calc R . . . .
C95 C 0.13496(15) 0.67087(13) 0.6019(2) 0.0320(12) Uani 1 1 d . U . . .
C96 C 0.10156(14) 0.68344(14) 0.5781(2) 0.0314(12) Uani 1 1 d . U . . .
C97 C 0.09999(14) 0.70083(14) 0.5308(2) 0.0313(12) Uani 1 1 d . U . . .
C98 C 0.13208(14) 0.70787(13) 0.5082(2) 0.0293(11) Uani 1 1 d . U . . .
C99 C 0.16455(14) 0.69610(13) 0.5334(2) 0.0289(11) Uani 1 1 d . U . . .
H99 H 0.186345 0.700905 0.518133 0.035 Uiso 1 1 calc R . . . .
C100 C 0.16722(14) 0.67767(13) 0.5798(2) 0.0302(11) Uani 1 1 d . U . . .
C101 C 0.13054(14) 0.72785(14) 0.4573(2) 0.0313(12) Uani 1 1 d . U . . .
H101 H 0.108191 0.743154 0.455732 0.038 Uiso 1 1 calc R . . . .
C102 C 0.12491(14) 0.70060(14) 0.4139(2) 0.0323(12) Uani 1 1 d . U . . .
C103 C 0.08986(14) 0.69051(15) 0.3959(2) 0.0337(12) Uani 1 1 d . U . . .
C104 C 0.08390(14) 0.66526(15) 0.3564(2) 0.0348(12) Uani 1 1 d . U . . .
C105 C 0.11395(14) 0.64884(15) 0.3362(2) 0.0343(12) Uani 1 1 d . U . . .
C106 C 0.14903(14) 0.65854(14) 0.3536(2) 0.0318(12) Uani 1 1 d . U . . .
C107 C 0.15348(14) 0.68444(14) 0.3926(2) 0.0315(12) Uani 1 1 d . U . . .
H107 H 0.177411 0.691096 0.404817 0.038 Uiso 1 1 calc R . . . .
C108 C 0.18126(14) 0.64018(14) 0.3322(2) 0.0338(12) Uani 1 1 d . U . . .
H108 H 0.172804 0.632270 0.297167 0.041 Uiso 1 1 calc R . . . .
C109 C 0.28419(15) 0.60148(16) 0.4738(2) 0.0447(14) Uani 1 1 d . U . . .
H10A H 0.274723 0.626476 0.469625 0.054 Uiso 1 1 calc R . . . .
H10B H 0.300326 0.600824 0.505486 0.054 Uiso 1 1 calc R . . . .
C110 C 0.3062(2) 0.5932(2) 0.4307(3) 0.086(2) Uani 1 1 d . U . . .
H11A H 0.290182 0.593229 0.398894 0.103 Uiso 1 1 calc R . . . .
H11B H 0.316679 0.568633 0.435321 0.103 Uiso 1 1 calc R . . . .
C111 C 0.3368(3) 0.6206(3) 0.4264(5) 0.144(5) Uani 1 1 d . U . . .
H11C H 0.350508 0.614134 0.397668 0.216 Uiso 1 1 calc R . . . .
H11D H 0.326475 0.644882 0.421148 0.216 Uiso 1 1 calc R . . . .
H11E H 0.352966 0.620291 0.457568 0.216 Uiso 1 1 calc R . . . .
C112 C 0.23527(16) 0.68945(15) 0.5985(3) 0.0486(16) Uani 1 1 d . U . . .
H11F H 0.257601 0.678211 0.614713 0.058 Uiso 1 1 calc R . . . .
H11G H 0.238374 0.691957 0.561997 0.058 Uiso 1 1 calc R . . . .
C113 C 0.2311(2) 0.7269(2) 0.6209(4) 0.086(3) Uani 1 1 d . U . . .
H11H H 0.252807 0.741347 0.614368 0.104 Uiso 1 1 calc R . . . .
H11I H 0.209932 0.738766 0.602513 0.104 Uiso 1 1 calc R . . . .
C114 C 0.2268(4) 0.7285(3) 0.6711(5) 0.158(6) Uani 1 1 d . U . . .
H11J H 0.224451 0.753812 0.681376 0.237 Uiso 1 1 calc R . . . .
H11K H 0.204990 0.715075 0.678206 0.237 Uiso 1 1 calc R . . . .
H11L H 0.248006 0.717664 0.690100 0.237 Uiso 1 1 calc R . . . .
C115 C 0.16193(15) 0.75366(14) 0.4527(2) 0.0382(13) Uani 1 1 d . U . . .
H11M H 0.158594 0.765892 0.419400 0.046 Uiso 1 1 calc R . . . .
H11N H 0.184636 0.739432 0.453438 0.046 Uiso 1 1 calc R . . . .
C116 C 0.16608(16) 0.78250(15) 0.4941(2) 0.0463(15) Uani 1 1 d . U . . .
H11O H 0.142747 0.795402 0.495525 0.056 Uiso 1 1 calc R . . . .
H11P H 0.171899 0.770526 0.527157 0.056 Uiso 1 1 calc R . . . .
C117 C 0.19571(19) 0.80995(19) 0.4852(3) 0.074(2) Uani 1 1 d . U . . .
H11Q H 0.197345 0.827823 0.512626 0.111 Uiso 1 1 calc R . . . .
H11R H 0.218974 0.797392 0.484477 0.111 Uiso 1 1 calc R . . . .
H11S H 0.189822 0.822270 0.452845 0.111 Uiso 1 1 calc R . . . .
C118 C 0.21341(15) 0.66506(15) 0.3272(2) 0.0432(14) Uani 1 1 d . U . . .
H11T H 0.233200 0.650890 0.313827 0.052 Uiso 1 1 calc R . . . .
H11U H 0.222252 0.673901 0.361252 0.052 Uiso 1 1 calc R . . . .
C119 C 0.20505(19) 0.69752(18) 0.2929(3) 0.0593(18) Uani 1 1 d . U . . .
H11V H 0.195816 0.688905 0.258896 0.071 Uiso 1 1 calc R . . . .
H11W H 0.185804 0.712264 0.306633 0.071 Uiso 1 1 calc R . . . .
C120 C 0.2383(3) 0.7210(3) 0.2883(5) 0.127(4) Uani 1 1 d . U . . .
H12A H 0.231886 0.741552 0.265938 0.190 Uiso 1 1 calc R . . . .
H12B H 0.247251 0.729936 0.321777 0.190 Uiso 1 1 calc R . . . .
H12C H 0.257258 0.706588 0.274063 0.190 Uiso 1 1 calc R . . . .
C121 C 0.34696(15) 0.34611(15) 0.8934(2) 0.0372(12) Uani 1 1 d . U . . .
C122 C 0.32978(15) 0.37588(14) 0.9122(2) 0.0367(12) Uani 1 1 d . U . . .
C123 C 0.31284(14) 0.37333(15) 0.9575(2) 0.0372(12) Uani 1 1 d . U . . .
C124 C 0.31102(14) 0.34015(14) 0.9821(2) 0.0371(12) Uani 1 1 d . U . . .
C125 C 0.32768(15) 0.31102(15) 0.9618(2) 0.0418(13) Uani 1 1 d . U . . .
H125 H 0.327106 0.288478 0.979007 0.050 Uiso 1 1 calc R . . . .
C126 C 0.34550(15) 0.31248(14) 0.9173(2) 0.0380(13) Uani 1 1 d . U . . .
C127 C 0.29274(15) 0.33775(16) 1.0307(2) 0.0459(14) Uani 1 1 d . U . . .
H127 H 0.274493 0.357777 1.029485 0.055 Uiso 1 1 calc R . . . .
C128 C 0.31957(15) 0.34573(16) 1.0759(2) 0.0413(13) Uani 1 1 d . U . . .
C129 C 0.32591(16) 0.38153(16) 1.0914(2) 0.0412(13) Uani 1 1 d . U . . .
C130 C 0.35103(17) 0.38958(17) 1.1328(2) 0.0465(14) Uani 1 1 d . U . . .
C131 C 0.37172(16) 0.36194(17) 1.1563(2) 0.0458(14) Uani 1 1 d . U . . .
C132 C 0.36591(16) 0.32582(16) 1.1423(2) 0.0452(14) Uani 1 1 d . U . . .
C133 C 0.33997(15) 0.31886(16) 1.1020(2) 0.0450(14) Uani 1 1 d . U . . .
H133 H 0.336029 0.294412 1.091805 0.054 Uiso 1 1 calc R . . . .
C134 C 0.38837(16) 0.29602(16) 1.1692(3) 0.0498(15) Uani 1 1 d . U . . .
H134 H 0.395211 0.304942 1.204266 0.060 Uiso 1 1 calc R . . . .
C135 C 0.42377(16) 0.29129(15) 1.1441(2) 0.0445(14) Uani 1 1 d . U . . .
C136 C 0.45395(17) 0.31242(16) 1.1597(2) 0.0473(14) Uani 1 1 d . U . . .
C137 C 0.48576(17) 0.30943(16) 1.1356(2) 0.0478(14) Uani 1 1 d . U . . .
C138 C 0.48759(16) 0.28570(16) 1.0952(2) 0.0439(14) Uani 1 1 d . U . . .
C139 C 0.45803(16) 0.26398(15) 1.0790(2) 0.0441(14) Uani 1 1 d . U . . .
C140 C 0.42674(16) 0.26777(15) 1.1039(2) 0.0458(14) Uani 1 1 d . U . . .
H140 H 0.406261 0.253456 1.092899 0.055 Uiso 1 1 calc R . . . .
C141 C 0.46110(17) 0.23851(15) 1.0344(2) 0.0462(15) Uani 1 1 d . U . . .
H141 H 0.487338 0.232154 1.034058 0.055 Uiso 1 1 calc R . . . .
C142 C 0.45026(15) 0.25828(14) 0.9841(2) 0.0410(14) Uani 1 1 d . U . . .
C143 C 0.47612(16) 0.27801(15) 0.9615(2) 0.0443(14) Uani 1 1 d . U . . .
C144 C 0.46637(16) 0.29743(16) 0.9164(2) 0.0476(14) Uani 1 1 d . U . . .
C145 C 0.42996(16) 0.29777(15) 0.8952(2) 0.0433(14) Uani 1 1 d . U . . .
C146 C 0.40392(15) 0.27814(14) 0.9186(2) 0.0395(13) Uani 1 1 d . U . . .
C147 C 0.41454(16) 0.25918(14) 0.9625(2) 0.0417(14) Uani 1 1 d . U . . .
H147 H 0.396625 0.246176 0.978738 0.050 Uiso 1 1 calc R . . . .
C148 C 0.36442(15) 0.28006(15) 0.8966(2) 0.0437(14) Uani 1 1 d . U . . .
H148 H 0.364967 0.284198 0.859376 0.052 Uiso 1 1 calc R . . . .
C149 C 0.27136(18) 0.30254(19) 1.0349(3) 0.070(2) Uani 1 1 d . U . . .
H14A H 0.260861 0.295733 1.000649 0.084 Uiso 1 1 calc R . . . .
H14B H 0.288487 0.283153 1.046745 0.084 Uiso 1 1 calc R . . . .
C150 C 0.2429(3) 0.3037(3) 1.0677(4) 0.116(4) Uani 1 1 d . U . . .
H15A H 0.229670 0.327005 1.063442 0.139 Uiso 1 1 calc R . . . .
H15B H 0.253042 0.301908 1.103368 0.139 Uiso 1 1 calc R . . . .
C151 C 0.2158(2) 0.2708(2) 1.0545(5) 0.140(5) Uani 1 1 d . U . . .
H15C H 0.196110 0.271462 1.076936 0.210 Uiso 1 1 calc R . . . .
H15D H 0.205693 0.272918 1.019259 0.210 Uiso 1 1 calc R . . . .
H15E H 0.228998 0.247892 1.059071 0.210 Uiso 1 1 calc R . . . .
C152 C 0.36707(19) 0.26057(18) 1.1746(3) 0.0629(19) Uani 1 1 d . U . . .
H15F H 0.343214 0.266492 1.186792 0.075 Uiso 1 1 calc R . . . .
H15G H 0.362612 0.249273 1.140826 0.075 Uiso 1 1 calc R . . . .
C153 C 0.3853(2) 0.2342(2) 1.2092(4) 0.091(3) Uani 1 1 d . U . . .
H15H H 0.391695 0.246103 1.242193 0.110 Uiso 1 1 calc R . . . .
H15I H 0.408228 0.226628 1.195465 0.110 Uiso 1 1 calc R . . . .
C154 C 0.3628(2) 0.2007(2) 1.2177(3) 0.086(3) Uani 1 1 d . U . . .
H15J H 0.376580 0.184267 1.241105 0.129 Uiso 1 1 calc R . . . .
H15K H 0.340330 0.207829 1.232140 0.129 Uiso 1 1 calc R . . . .
H15L H 0.356881 0.188333 1.185360 0.129 Uiso 1 1 calc R . . . .
C155 C 0.4405(2) 0.20256(16) 1.0396(3) 0.0615(19) Uani 1 1 d . U . . .
H15M H 0.447330 0.192330 1.073557 0.074 Uiso 1 1 calc R . . . .
H15N H 0.414193 0.207742 1.037385 0.074 Uiso 1 1 calc R . . . .
C156 C 0.4477(3) 0.1744(2) 1.0002(3) 0.086(2) Uani 1 1 d . U . . .
H15O H 0.442759 0.185116 0.966139 0.104 Uiso 1 1 calc R . . . .
H15P H 0.430689 0.153874 1.002992 0.104 Uiso 1 1 calc R . . . .
C157 C 0.4872(3) 0.1598(3) 1.0058(6) 0.170(6) Uani 1 1 d . U . . .
H15Q H 0.490258 0.141668 0.979485 0.254 Uiso 1 1 calc R . . . .
H15R H 0.504109 0.179812 1.002327 0.254 Uiso 1 1 calc R . . . .
H15S H 0.492034 0.148557 1.039196 0.254 Uiso 1 1 calc R . . . .
C158 C 0.34397(17) 0.24328(17) 0.9028(3) 0.0607(19) Uani 1 1 d . U . . .
H15T H 0.358132 0.223450 0.888858 0.073 Uiso 1 1 calc R . . . .
H15U H 0.342528 0.238445 0.939271 0.073 Uiso 1 1 calc R . . . .
C159 C 0.3058(2) 0.2431(2) 0.8764(4) 0.089(3) Uani 1 1 d . U . . .
H15V H 0.294612 0.219295 0.882217 0.107 Uiso 1 1 calc R . . . .
H15W H 0.291292 0.261746 0.892365 0.107 Uiso 1 1 calc R . . . .
C160 C 0.3036(3) 0.2498(5) 0.8228(5) 0.173(7) Uani 1 1 d . U . . .
H16A H 0.278161 0.249158 0.809165 0.260 Uiso 1 1 calc R . . . .
H16B H 0.313889 0.273642 0.816382 0.260 Uiso 1 1 calc R . . . .
H16C H 0.317218 0.231091 0.806210 0.260 Uiso 1 1 calc R . . . .
C161 C 0.61650(16) 0.31566(16) 0.9501(2) 0.0430(13) Uani 1 1 d . U . . .
C162 C 0.60719(15) 0.33491(17) 0.9052(2) 0.0444(14) Uani 1 1 d . U . . .
C163 C 0.63435(16) 0.35109(17) 0.8788(2) 0.0449(14) Uani 1 1 d . U . . .
C164 C 0.67084(15) 0.34739(15) 0.8965(2) 0.0415(13) Uani 1 1 d . U . . .
C165 C 0.67878(16) 0.32755(15) 0.9405(2) 0.0412(13) Uani 1 1 d . U . . .
H165 H 0.703520 0.324928 0.952568 0.049 Uiso 1 1 calc R . . . .
C166 C 0.65292(15) 0.31135(14) 0.9679(2) 0.0378(13) Uani 1 1 d . U . . .
C167 C 0.69969(16) 0.36587(16) 0.8680(2) 0.0447(14) Uani 1 1 d . U . . .
H167 H 0.690085 0.366938 0.831678 0.054 Uiso 1 1 calc R . . . .
C168 C 0.70489(15) 0.40508(17) 0.8860(2) 0.0420(13) Uani 1 1 d . U . . .
C169 C 0.68322(17) 0.43274(17) 0.8639(2) 0.0485(15) Uani 1 1 d . U . . .
C170 C 0.68704(16) 0.46818(17) 0.8809(2) 0.0462(14) Uani 1 1 d . U . . .
C171 C 0.71217(16) 0.47656(17) 0.9224(2) 0.0445(14) Uani 1 1 d . U . . .
C172 C 0.73446(15) 0.44950(17) 0.9443(2) 0.0415(13) Uani 1 1 d . U . . .
C173 C 0.72967(15) 0.41435(16) 0.9263(2) 0.0405(13) Uani 1 1 d . U . . .
H173 H 0.744028 0.395664 0.942401 0.049 Uiso 1 1 calc R . . . .
C174 C 0.76074(14) 0.45862(16) 0.9903(2) 0.0396(13) Uani 1 1 d . U . . .
H174 H 0.766470 0.484980 0.987523 0.047 Uiso 1 1 calc R . . . .
C175 C 0.74229(13) 0.45443(15) 1.0378(2) 0.0351(12) Uani 1 1 d . U . . .
C176 C 0.72190(14) 0.48288(15) 1.0553(2) 0.0355(12) Uani 1 1 d . U . . .
C177 C 0.70372(14) 0.48030(14) 1.0988(2) 0.0331(11) Uani 1 1 d . U . . .
C178 C 0.70507(14) 0.44771(14) 1.1258(2) 0.0331(12) Uani 1 1 d . U . . .
C179 C 0.72476(13) 0.41792(14) 1.1093(2) 0.0331(12) Uani 1 1 d . U . . .
C180 C 0.74263(14) 0.42236(15) 1.0659(2) 0.0358(12) Uani 1 1 d . U . . .
H180 H 0.755942 0.402392 1.054554 0.043 Uiso 1 1 calc R . . . .
C181 C 0.72459(14) 0.38285(14) 1.1378(2) 0.0364(13) Uani 1 1 d . U . . .
H181 H 0.721589 0.389394 1.173757 0.044 Uiso 1 1 calc R . . . .
C182 C 0.69156(14) 0.35996(14) 1.1201(2) 0.0357(12) Uani 1 1 d . U . . .
C183 C 0.65855(15) 0.36513(14) 1.1410(2) 0.0371(12) Uani 1 1 d . U . . .
C184 C 0.62762(15) 0.34510(15) 1.1241(2) 0.0390(13) Uani 1 1 d . U . . .
C185 C 0.62916(15) 0.32103(14) 1.0838(2) 0.0372(12) Uani 1 1 d . U . . .
C186 C 0.66190(15) 0.31542(14) 1.0613(2) 0.0376(13) Uani 1 1 d . U . . .
C187 C 0.69204(15) 0.33518(14) 1.0798(2) 0.0369(13) Uani 1 1 d . U . . .
H187 H 0.714110 0.331799 1.064583 0.044 Uiso 1 1 calc R . . . .
C188 C 0.66221(16) 0.29034(15) 1.0156(2) 0.0408(13) Uani 1 1 d . U . . .
H188 H 0.641943 0.272744 1.018459 0.049 Uiso 1 1 calc R . . . .
C189 C 0.73568(17) 0.34477(19) 0.8699(3) 0.0589(18) Uani 1 1 d . U . . .
H18A H 0.746471 0.344109 0.905347 0.071 Uiso 1 1 calc R . . . .
H18B H 0.730574 0.319495 0.859106 0.071 Uiso 1 1 calc R . . . .
C190 C 0.7635(2) 0.3612(3) 0.8363(3) 0.088(3) Uani 1 1 d . U . . .
H19A H 0.764808 0.387627 0.842178 0.106 Uiso 1 1 calc R . . . .
H19B H 0.754941 0.357168 0.800404 0.106 Uiso 1 1 calc R . . . .
C191 C 0.8025(3) 0.3445(4) 0.8468(5) 0.152(5) Uani 1 1 d . U . . .
H19C H 0.818945 0.355874 0.824430 0.228 Uiso 1 1 calc R . . . .
H19D H 0.811363 0.348814 0.882119 0.228 Uiso 1 1 calc R . . . .
H19E H 0.801490 0.318338 0.840322 0.228 Uiso 1 1 calc R . . . .
C192 C 0.79744(17) 0.4382(2) 0.9893(3) 0.0605(18) Uani 1 1 d . U . . .
H19F H 0.812966 0.444238 1.020401 0.073 Uiso 1 1 calc R . . . .
H19G H 0.792799 0.411809 0.989564 0.073 Uiso 1 1 calc R . . . .
C193 C 0.8174(2) 0.4474(3) 0.9442(4) 0.100(3) Uani 1 1 d . U . . .
H19H H 0.820036 0.474004 0.942373 0.119 Uiso 1 1 calc R . . . .
H19I H 0.802618 0.439467 0.913305 0.119 Uiso 1 1 calc R . . . .
C194 C 0.8546(3) 0.4303(5) 0.9444(6) 0.200(8) Uani 1 1 d . U . . .
H19J H 0.865827 0.437531 0.913794 0.300 Uiso 1 1 calc R . . . .
H19K H 0.869705 0.438458 0.974313 0.300 Uiso 1 1 calc R . . . .
H19L H 0.852259 0.403866 0.945198 0.300 Uiso 1 1 calc R . . . .
C195 C 0.76024(15) 0.36162(16) 1.1384(2) 0.0441(14) Uani 1 1 d . U . . .
H19M H 0.762428 0.351506 1.104239 0.053 Uiso 1 1 calc R . . . .
H19N H 0.780637 0.378666 1.145805 0.053 Uiso 1 1 calc R . . . .
C196 C 0.76393(18) 0.33085(18) 1.1766(3) 0.0608(19) Uani 1 1 d . U . . .
H19O H 0.759624 0.340502 1.210366 0.073 Uiso 1 1 calc R . . . .
H19P H 0.744929 0.312593 1.167363 0.073 Uiso 1 1 calc R . . . .
C197 C 0.7997(2) 0.3128(3) 1.1797(4) 0.109(3) Uani 1 1 d . U . . .
H19Q H 0.800176 0.293379 1.204899 0.164 Uiso 1 1 calc R . . . .
H19R H 0.803956 0.302612 1.146638 0.164 Uiso 1 1 calc R . . . .
H19S H 0.818668 0.330553 1.189690 0.164 Uiso 1 1 calc R . . . .
C198 C 0.69689(17) 0.26765(17) 1.0155(3) 0.0527(16) Uani 1 1 d . U . . .
H19T H 0.696861 0.255027 0.982598 0.063 Uiso 1 1 calc R . . . .
H19U H 0.718020 0.284171 1.018481 0.063 Uiso 1 1 calc R . . . .
C199 C 0.7015(2) 0.2402(2) 1.0568(3) 0.076(2) Uani 1 1 d . U . . .
H19V H 0.678499 0.226628 1.057952 0.091 Uiso 1 1 calc R . . . .
H19W H 0.706229 0.252955 1.089500 0.091 Uiso 1 1 calc R . . . .
C200 C 0.7316(2) 0.2138(2) 1.0508(4) 0.101(3) Uani 1 1 d . U . . .
H20A H 0.733070 0.196648 1.079053 0.151 Uiso 1 1 calc R . . . .
H20B H 0.726814 0.200589 1.018884 0.151 Uiso 1 1 calc R . . . .
H20C H 0.754575 0.226946 1.050468 0.151 Uiso 1 1 calc R . . . .
C201 C 0.63070(14) 0.51044(14) 1.2722(2) 0.0338(12) Uani 1 1 d . U . . .
C202 C 0.63021(14) 0.54350(15) 1.2451(2) 0.0342(12) Uani 1 1 d . U . . .
C203 C 0.61348(14) 0.57384(15) 1.2649(2) 0.0359(12) Uani 1 1 d . U . . .
C204 C 0.59814(14) 0.57231(15) 1.3107(2) 0.0345(12) Uani 1 1 d . U . . .
C205 C 0.59909(15) 0.53895(15) 1.3356(2) 0.0371(13) Uani 1 1 d . U . . .
H205 H 0.588354 0.537306 1.366832 0.045 Uiso 1 1 calc R . . . .
C206 C 0.61496(14) 0.50789(15) 1.3171(2) 0.0330(12) Uani 1 1 d . U . . .
C207 C 0.58000(15) 0.60533(16) 1.3309(2) 0.0396(13) Uani 1 1 d . U . . .
H207 H 0.592180 0.626856 1.316978 0.047 Uiso 1 1 calc R . . . .
C208 C 0.54056(16) 0.60681(16) 1.3096(2) 0.0394(13) Uani 1 1 d . U . . .
C209 C 0.53153(15) 0.62215(16) 1.2627(2) 0.0404(13) Uani 1 1 d . U . . .
C210 C 0.49478(16) 0.62185(17) 1.2419(2) 0.0451(14) Uani 1 1 d . U . . .
C211 C 0.46787(16) 0.60565(17) 1.2674(2) 0.0448(14) Uani 1 1 d . U . . .
C212 C 0.47652(16) 0.58961(17) 1.3145(2) 0.0427(13) Uani 1 1 d . U . . .
C213 C 0.51288(16) 0.59044(16) 1.3344(2) 0.0409(13) Uani 1 1 d . U . . .
H213 H 0.519018 0.579361 1.366320 0.049 Uiso 1 1 calc R . . . .
C214 C 0.44725(17) 0.57095(18) 1.3418(2) 0.0470(14) Uani 1 1 d . U . . .
H214 H 0.423983 0.583513 1.330831 0.056 Uiso 1 1 calc R . . . .
C215 C 0.44296(16) 0.53165(18) 1.3235(2) 0.0449(14) Uani 1 1 d . U . . .
C216 C 0.41931(17) 0.52339(17) 1.2809(2) 0.0481(15) Uani 1 1 d . U . . .
C217 C 0.41586(17) 0.48751(18) 1.2639(2) 0.0478(14) Uani 1 1 d . U . . .
C218 C 0.43659(16) 0.45992(17) 1.2879(2) 0.0438(14) Uani 1 1 d . U . . .
C219 C 0.45959(15) 0.46737(17) 1.3311(2) 0.0432(14) Uani 1 1 d . U . . .
C220 C 0.46264(16) 0.50325(17) 1.3473(2) 0.0435(14) Uani 1 1 d . U . . .
H220 H 0.478901 0.508639 1.375912 0.052 Uiso 1 1 calc R . . . .
C221 C 0.48212(17) 0.43721(18) 1.3572(2) 0.0476(14) Uani 1 1 d . U . . .
H221 H 0.468260 0.414228 1.350407 0.057 Uiso 1 1 calc R . . . .
C222 C 0.51753(16) 0.43297(16) 1.3329(2) 0.0418(13) Uani 1 1 d . U . . .
C223 C 0.51884(16) 0.41113(16) 1.2898(2) 0.0422(13) Uani 1 1 d . U . . .
C224 C 0.55094(16) 0.40824(16) 1.2655(2) 0.0430(13) Uani 1 1 d . U . . .
C225 C 0.58173(15) 0.42906(15) 1.2831(2) 0.0392(13) Uani 1 1 d . U . . .
C226 C 0.58083(15) 0.45001(15) 1.3258(2) 0.0386(13) Uani 1 1 d . U . . .
C227 C 0.54859(16) 0.45162(16) 1.3497(2) 0.0405(13) Uani 1 1 d . U . . .
H227 H 0.548040 0.466281 1.379096 0.049 Uiso 1 1 calc R . . . .
C228 C 0.61468(15) 0.47177(15) 1.3453(2) 0.0386(13) Uani 1 1 d . U . . .
H228 H 0.636136 0.457792 1.335451 0.046 Uiso 1 1 calc R . . . .
C229 C 0.58506(17) 0.60884(18) 1.3887(2) 0.0487(16) Uani 1 1 d . U . . .
H22A H 0.572175 0.630799 1.398908 0.058 Uiso 1 1 calc R . . . .
H22B H 0.573732 0.587669 1.403958 0.058 Uiso 1 1 calc R . . . .
C230 C 0.62437(17) 0.6112(2) 1.4096(2) 0.0559(17) Uani 1 1 d . U . . .
H23A H 0.637630 0.590464 1.396408 0.067 Uiso 1 1 calc R . . . .
H23B H 0.634929 0.633610 1.396525 0.067 Uiso 1 1 calc R . . . .
C231 C 0.6307(2) 0.6113(3) 1.4652(3) 0.107(3) Uani 1 1 d . U . . .
H23C H 0.656809 0.612927 1.474839 0.160 Uiso 1 1 calc R . . . .
H23D H 0.618445 0.632203 1.478889 0.160 Uiso 1 1 calc R . . . .
H23E H 0.621153 0.588937 1.478772 0.160 Uiso 1 1 calc R . . . .
C232 C 0.45248(18) 0.5748(2) 1.3995(2) 0.0563(17) Uani 1 1 d . U . . .
H23F H 0.474387 0.561127 1.412242 0.068 Uiso 1 1 calc R . . . .
H23G H 0.456594 0.600614 1.408195 0.068 Uiso 1 1 calc R . . . .
C233 C 0.4205(2) 0.5612(3) 1.4257(3) 0.081(2) Uani 1 1 d . U . . .
H23H H 0.398338 0.574183 1.412489 0.097 Uiso 1 1 calc R . . . .
H23I H 0.416902 0.535037 1.418516 0.097 Uiso 1 1 calc R . . . .
C234 C 0.4265(3) 0.5668(3) 1.4820(3) 0.120(4) Uani 1 1 d . U . . .
H23J H 0.405439 0.557805 1.498293 0.179 Uiso 1 1 calc R . . . .
H23K H 0.448221 0.553623 1.495216 0.179 Uiso 1 1 calc R . . . .
H23L H 0.429682 0.592717 1.489197 0.179 Uiso 1 1 calc R . . . .
C235 C 0.48712(17) 0.4415(2) 1.4150(2) 0.0531(16) Uani 1 1 d . U . . .
H23M H 0.502663 0.421548 1.429180 0.064 Uiso 1 1 calc R . . . .
H23N H 0.500089 0.464538 1.423029 0.064 Uiso 1 1 calc R . . . .
C236 C 0.45238(19) 0.4416(2) 1.4408(2) 0.0633(19) Uani 1 1 d . U . . .
H23O H 0.440657 0.417545 1.436145 0.076 Uiso 1 1 calc R . . . .
H23P H 0.435729 0.459833 1.424427 0.076 Uiso 1 1 calc R . . . .
C237 C 0.4579(2) 0.4497(2) 1.4968(3) 0.076(2) Uani 1 1 d . U . . .
H23Q H 0.434489 0.449361 1.511439 0.115 Uiso 1 1 calc R . . . .
H23R H 0.473926 0.431403 1.513524 0.115 Uiso 1 1 calc R . . . .
H23S H 0.468995 0.473721 1.501798 0.115 Uiso 1 1 calc R . . . .
C238 C 0.61919(17) 0.47555(18) 1.4028(2) 0.0498(16) Uani 1 1 d . U . . .
H23T H 0.598552 0.489799 1.413702 0.060 Uiso 1 1 calc R . . . .
H23U H 0.617877 0.451123 1.417970 0.060 Uiso 1 1 calc R . . . .
C239 C 0.6535(2) 0.4931(2) 1.4235(3) 0.081(2) Uani 1 1 d . U . . .
H23V H 0.654893 0.517393 1.407834 0.097 Uiso 1 1 calc R . . . .
H23W H 0.674065 0.478709 1.412712 0.097 Uiso 1 1 calc R . . . .
C240 C 0.6586(3) 0.4977(4) 1.4807(4) 0.145(5) Uani 1 1 d . U . . .
H24A H 0.681961 0.509441 1.489971 0.218 Uiso 1 1 calc R . . . .
H24B H 0.638998 0.512631 1.491965 0.218 Uiso 1 1 calc R . . . .
H24C H 0.658232 0.473822 1.496858 0.218 Uiso 1 1 calc R . . . .
C241 C 0.2720(2) 0.4526(3) 0.6208(3) 0.082(2) Uani 1 1 d . U . . .
H24D H 0.259522 0.430687 0.606696 0.099 Uiso 1 1 calc R . . . .
H24E H 0.286815 0.462639 0.594688 0.099 Uiso 1 1 calc R . . . .
C242 C 0.2947(2) 0.4432(2) 0.6639(3) 0.072(2) Uani 1 1 d . U . . .
H24F H 0.309391 0.464514 0.675397 0.087 Uiso 1 1 calc R . . . .
H24G H 0.311594 0.423861 0.654902 0.087 Uiso 1 1 calc R . . . .
C243 C 0.26838(17) 0.39306(16) 0.7070(2) 0.0492(16) Uani 1 1 d . U . . .
H24H H 0.264356 0.383058 0.672330 0.059 Uiso 1 1 calc R . . . .
H24I H 0.246254 0.388635 0.724577 0.059 Uiso 1 1 calc R . . . .
C244 C 0.30041(17) 0.37399(15) 0.7351(2) 0.0456(15) Uani 1 1 d . U . . .
H24J H 0.295274 0.347727 0.736902 0.055 Uiso 1 1 calc R . . . .
H24K H 0.322189 0.377203 0.716333 0.055 Uiso 1 1 calc R . . . .
C245 C 0.0378(4) 0.7840(2) 0.5513(4) 0.122(4) Uani 1 1 d . U . . .
H24L H 0.043907 0.776747 0.517108 0.146 Uiso 1 1 calc R . . . .
H24M H 0.012799 0.793716 0.548200 0.146 Uiso 1 1 calc R . . . .
C246 C 0.0616(4) 0.8113(4) 0.5694(4) 0.164(6) Uani 1 1 d . U . . .
H24N H 0.058304 0.833038 0.547636 0.197 Uiso 1 1 calc R . . . .
H24O H 0.086942 0.802942 0.568928 0.197 Uiso 1 1 calc R . . . .
C247 C 0.0804(6) 0.8447(6) 0.6438(6) 0.310(14) Uani 1 1 d . U . . .
H24P H 0.070800 0.869779 0.642572 0.372 Uiso 1 1 calc R . . . .
H24Q H 0.103234 0.844209 0.626914 0.372 Uiso 1 1 calc R . . . .
C248 C 0.0871(3) 0.8313(5) 0.7007(6) 0.210(8) Uani 1 1 d . U . . .
H24R H 0.093466 0.805192 0.701312 0.252 Uiso 1 1 calc R . . . .
H24S H 0.107594 0.844825 0.718112 0.252 Uiso 1 1 calc R . . . .
C249 C -0.11791(19) 0.2831(2) 0.2601(3) 0.075(2) Uani 1 1 d . U . . .
H24T H -0.141466 0.295291 0.262846 0.090 Uiso 1 1 calc R . . . .
H24U H -0.121678 0.256735 0.264392 0.090 Uiso 1 1 calc R . . . .
C250 C -0.1061(2) 0.2896(2) 0.2105(3) 0.072(2) Uani 1 1 d . U . . .
H25A H -0.123427 0.278467 0.184527 0.087 Uiso 1 1 calc R . . . .
H25B H -0.105499 0.316027 0.203984 0.087 Uiso 1 1 calc R . . . .
C251 C -0.0587(2) 0.2786(2) 0.1590(3) 0.071(2) Uani 1 1 d . U . . .
H25C H -0.061079 0.304204 0.148195 0.085 Uiso 1 1 calc R . . . .
H25D H -0.073664 0.263573 0.134391 0.085 Uiso 1 1 calc R . . . .
C252 C -0.0198(2) 0.26713(18) 0.1598(3) 0.068(2) Uani 1 1 d . U . . .
H25E H -0.010983 0.271530 0.126107 0.081 Uiso 1 1 calc R . . . .
H25F H -0.005020 0.282075 0.184738 0.081 Uiso 1 1 calc R . . . .
C253 C 0.7809(2) 0.5489(2) 1.1107(4) 0.095(3) Uani 1 1 d . U . . .
H25G H 0.777991 0.529780 1.084461 0.114 Uiso 1 1 calc R . . . .
H25H H 0.795329 0.568598 1.097012 0.114 Uiso 1 1 calc R . . . .
C254 C 0.7997(2) 0.5352(3) 1.1503(4) 0.117(4) Uani 1 1 d . U . . .
H25I H 0.807992 0.555766 1.172354 0.141 Uiso 1 1 calc R . . . .
H25J H 0.821694 0.524017 1.138205 0.141 Uiso 1 1 calc R . . . .
C255 C 0.79484(17) 0.4719(2) 1.1761(2) 0.0572(16) Uani 1 1 d . U . . .
H25K H 0.821649 0.470732 1.179450 0.069 Uiso 1 1 calc R . . . .
H25L H 0.786219 0.463215 1.141864 0.069 Uiso 1 1 calc R . . . .
C256 C 0.77982(18) 0.44823(17) 1.2154(2) 0.0518(16) Uani 1 1 d . U . . .
H25M H 0.753033 0.448237 1.210087 0.062 Uiso 1 1 calc R . . . .
H25N H 0.788248 0.423062 1.211001 0.062 Uiso 1 1 calc R . . . .
C257 C -0.0405(3) 0.6624(2) 0.1717(3) 0.080(2) Uani 1 1 d . U . . .
H257 H -0.028164 0.639972 0.169496 0.096 Uiso 1 1 calc R . . . .
C258 C -0.0441(3) 0.6825(2) 0.1291(3) 0.086(2) Uani 1 1 d . U . . .
H258 H -0.032605 0.675566 0.099868 0.103 Uiso 1 1 calc R . . . .
C259 C -0.0648(2) 0.7131(2) 0.1291(3) 0.079(2) Uani 1 1 d . U . . .
H259 H -0.068070 0.727898 0.099796 0.095 Uiso 1 1 calc R . . . .
C260 C -0.0814(2) 0.7224(2) 0.1735(3) 0.080(2) Uani 1 1 d . U . . .
H260 H -0.096412 0.743237 0.174914 0.096 Uiso 1 1 calc R . . . .
C261 C -0.0746(2) 0.6997(2) 0.2150(3) 0.074(2) Uani 1 1 d . U . . .
H261 H -0.086676 0.705042 0.244303 0.089 Uiso 1 1 calc R . . . .
C262 C 0.24497(19) 0.33857(18) 0.8623(3) 0.0605(18) Uani 1 1 d . U . . .
H26A H 0.269325 0.330814 0.876504 0.073 Uiso 1 1 calc R . . . .
H26B H 0.234377 0.318843 0.840516 0.073 Uiso 1 1 calc R . . . .
C263 C 0.2211(2) 0.3459(2) 0.9047(3) 0.078(2) Uani 1 1 d . U . . .
H26C H 0.214408 0.322470 0.919387 0.094 Uiso 1 1 calc R . . . .
H26D H 0.235366 0.359689 0.931499 0.094 Uiso 1 1 calc R . . . .
C264 C 0.1632(2) 0.3452(2) 0.8579(3) 0.066(2) Uani 1 1 d . U . . .
H26E H 0.141652 0.339578 0.876137 0.080 Uiso 1 1 calc R . . . .
H26F H 0.174386 0.322045 0.848537 0.080 Uiso 1 1 calc R . . . .
C265 C 0.15209(18) 0.36651(19) 0.8111(3) 0.0580(17) Uani 1 1 d . U . . .
H26G H 0.132433 0.353643 0.790801 0.070 Uiso 1 1 calc R . . . .
H26H H 0.142831 0.390521 0.820550 0.070 Uiso 1 1 calc R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Mg1 O28 93.53(16) . . ?
O1 Mg1 O73 89.99(19) . . ?
O1 Mg1 O88 94.7(2) . . ?
O1 Mg1 C1 27.02(15) . . ?
O1 Mg1 C2 55.61(16) . . ?
O1 Mg1 C89 120.61(17) . . ?
O1 Mg1 C90 149.21(18) . . ?
O2 Mg1 O1 82.00(16) . . ?
O2 Mg1 O28 175.19(17) . . ?
O2 Mg1 O29 101.65(17) . . ?
O2 Mg1 O73 91.18(19) . . ?
O2 Mg1 O88 88.8(2) . . ?
O2 Mg1 C1 55.55(15) . . ?
O2 Mg1 C2 27.01(15) . . ?
O2 Mg1 C89 157.37(17) . . ?
O2 Mg1 C90 128.78(17) . . ?
O28 Mg1 O73 90.60(18) . . ?
O28 Mg1 O88 89.8(2) . . ?
O28 Mg1 C1 120.17(17) . . ?
O28 Mg1 C2 148.87(17) . . ?
O28 Mg1 C89 27.08(14) . . ?
O28 Mg1 C90 55.72(15) . . ?
O29 Mg1 O1 175.1(2) . . ?
O29 Mg1 O28 82.91(15) . . ?
O29 Mg1 O73 86.67(18) . . ?
O29 Mg1 O88 88.7(2) . . ?
O29 Mg1 C1 155.67(17) . . ?
O29 Mg1 C2 127.59(17) . . ?
O29 Mg1 C89 55.86(15) . . ?
O29 Mg1 C90 27.23(15) . . ?
O73 Mg1 O88 175.2(2) . . ?
O73 Mg1 C1 85.58(17) . . ?
O73 Mg1 C2 85.82(18) . . ?
O73 Mg1 C89 89.97(17) . . ?
O73 Mg1 C90 88.88(17) . . ?
O88 Mg1 C1 98.3(2) . . ?
O88 Mg1 C2 96.3(2) . . ?
O88 Mg1 C89 88.2(2) . . ?
O88 Mg1 C90 87.4(2) . . ?
C2 Mg1 C1 28.74(16) . . ?
C2 Mg1 C89 174.27(18) . . ?
C89 Mg1 C1 147.03(17) . . ?
C90 Mg1 C1 173.12(17) . . ?
C90 Mg1 C2 154.72(18) . . ?
C90 Mg1 C89 28.64(15) . . ?
O2 Mg2 O3 83.77(16) . . ?
O2 Mg2 O17 101.91(16) . 3_566 ?
O2 Mg2 O18 174.11(18) . 3_566 ?
O2 Mg2 O89 86.32(18) . . ?
O2 Mg2 O90 86.1(3) . . ?
O2 Mg2 C2 27.60(15) . . ?
O2 Mg2 C3 56.46(15) . . ?
O2 Mg2 C50 128.81(17) . 3_566 ?
O2 Mg2 C51 157.56(17) . 3_566 ?
O3 Mg2 O89 90.07(16) . . ?
O3 Mg2 O90 90.5(2) . . ?
O3 Mg2 C2 56.34(16) . . ?
O3 Mg2 C3 27.48(15) . . ?
O3 Mg2 C50 147.42(17) . 3_566 ?
O3 Mg2 C51 118.64(17) . 3_566 ?
O17 Mg2 O3 174.14(18) 3_566 . ?
O17 Mg2 O18 82.48(15) 3_566 3_566 ?
O17 Mg2 O89 91.70(17) 3_566 . ?
O17 Mg2 O90 88.5(2) 3_566 . ?
O17 Mg2 C2 129.41(17) 3_566 . ?
O17 Mg2 C3 158.31(17) 3_566 . ?
O17 Mg2 C50 26.92(15) 3_566 3_566 ?
O17 Mg2 C51 55.66(15) 3_566 3_566 ?
O18 Mg2 O3 91.75(16) 3_566 . ?
O18 Mg2 O89 97.54(17) 3_566 . ?
O18 Mg2 O90 90.1(2) 3_566 . ?
O18 Mg2 C2 148.09(17) 3_566 . ?
O18 Mg2 C3 119.21(16) 3_566 . ?
O18 Mg2 C50 55.73(15) 3_566 3_566 ?
O18 Mg2 C51 27.00(14) 3_566 3_566 ?
O89 Mg2 O90 172.3(3) . . ?
O89 Mg2 C2 84.22(17) . . ?
O89 Mg2 C3 85.68(16) . . ?
O89 Mg2 C50 92.25(16) . 3_566 ?
O89 Mg2 C51 94.30(16) . 3_566 ?
O90 Mg2 C2 89.7(2) . . ?
O90 Mg2 C3 91.3(2) . . ?
O90 Mg2 C50 91.4(2) . 3_566 ?
O90 Mg2 C51 92.1(2) . 3_566 ?
C2 Mg2 C3 28.91(15) . . ?
C2 Mg2 C50 156.17(17) . 3_566 ?
C2 Mg2 C51 174.67(17) . 3_566 ?
C3 Mg2 C51 145.98(16) . 3_566 ?
C50 Mg2 C3 174.27(17) 3_566 . ?
C50 Mg2 C51 28.78(15) 3_566 3_566 ?
O4 Mg3 O91 88.1(3) 3_566 . ?
O4 Mg3 N2 93.11(19) 3_566 . ?
O4 Mg3 C9 27.03(14) 3_566 3_566 ?
O4 Mg3 C10 55.44(15) 3_566 3_566 ?
O4 Mg3 C56 119.63(16) 3_566 . ?
O4 Mg3 C57 148.46(16) 3_566 . ?
O5 Mg3 O4 82.03(15) 3_566 3_566 ?
O5 Mg3 O19 168.98(19) 3_566 . ?
O5 Mg3 O20 100.87(16) 3_566 . ?
O5 Mg3 O91 81.6(3) 3_566 . ?
O5 Mg3 N2 101.08(19) 3_566 . ?
O5 Mg3 C9 55.20(15) 3_566 3_566 ?
O5 Mg3 C10 26.71(14) 3_566 3_566 ?
O5 Mg3 C56 156.96(17) 3_566 . ?
O5 Mg3 C57 128.25(17) 3_566 . ?
O19 Mg3 O4 92.83(16) . 3_566 ?
O19 Mg3 O91 88.5(3) . . ?
O19 Mg3 N2 88.88(19) . . ?
O19 Mg3 C9 119.81(16) . 3_566 ?
O19 Mg3 C10 147.57(17) . 3_566 ?
O19 Mg3 C56 26.84(15) . . ?
O19 Mg3 C57 55.77(15) . . ?
O20 Mg3 O4 170.79(18) . 3_566 ?
O20 Mg3 O19 82.77(16) . . ?
O20 Mg3 O91 83.7(3) . . ?
O20 Mg3 N2 94.9(2) . . ?
O20 Mg3 C9 155.60(16) . 3_566 ?
O20 Mg3 C10 127.50(16) . 3_566 ?
O20 Mg3 C56 56.49(15) . . ?
O20 Mg3 C57 27.39(15) . . ?
O91 Mg3 C9 87.6(3) . 3_566 ?
O91 Mg3 C10 84.3(3) . 3_566 ?
O91 Mg3 C56 90.8(3) . . ?
O91 Mg3 C57 88.2(3) . . ?
N2 Mg3 O91 177.2(3) . . ?
N2 Mg3 C9 94.69(19) . 3_566 ?
N2 Mg3 C10 98.46(19) . 3_566 ?
N2 Mg3 C56 86.39(19) . . ?
N2 Mg3 C57 89.46(19) . . ?
C10 Mg3 C9 28.51(15) 3_566 3_566 ?
C10 Mg3 C56 173.07(17) 3_566 . ?
C56 Mg3 C9 146.64(16) . 3_566 ?
C57 Mg3 C9 173.95(17) . 3_566 ?
C57 Mg3 C10 154.77(17) . 3_566 ?
C57 Mg3 C56 29.17(15) . . ?
O5 Mg4 O6 83.61(15) . . ?
O5 Mg4 O34 176.89(18) . 3_566 ?
O5 Mg4 O35 100.66(16) . 3_566 ?
O5 Mg4 O81 92.57(18) . 4_566 ?
O5 Mg4 O92 86.8(2) . . ?
O5 Mg4 C10 27.20(15) . . ?
O5 Mg4 C11 56.38(15) . . ?
O5 Mg4 C103 155.88(18) . 3_566 ?
O5 Mg4 C104 127.09(17) . 3_566 ?
O6 Mg4 O34 93.75(16) . 3_566 ?
O6 Mg4 O81 88.54(18) . 4_566 ?
O6 Mg4 O92 90.8(2) . . ?
O6 Mg4 C10 56.43(15) . . ?
O6 Mg4 C11 27.31(14) . . ?
O6 Mg4 C103 120.51(16) . 3_566 ?
O6 Mg4 C104 149.25(16) . 3_566 ?
O34 Mg4 O81 89.00(17) 3_566 4_566 ?
O34 Mg4 O92 91.6(2) 3_566 . ?
O34 Mg4 C10 150.18(17) 3_566 . ?
O34 Mg4 C11 121.04(16) 3_566 . ?
O34 Mg4 C103 26.79(15) 3_566 3_566 ?
O34 Mg4 C104 55.51(15) 3_566 3_566 ?
O35 Mg4 O6 174.84(17) 3_566 . ?
O35 Mg4 O34 81.89(16) 3_566 3_566 ?
O35 Mg4 O81 94.13(19) 3_566 4_566 ?
O35 Mg4 O92 86.6(2) 3_566 . ?
O35 Mg4 C10 127.86(17) 3_566 . ?
O35 Mg4 C11 157.03(17) 3_566 . ?
O35 Mg4 C103 55.23(15) 3_566 3_566 ?
O35 Mg4 C104 26.44(15) 3_566 3_566 ?
O81 Mg4 O92 179.2(2) 4_566 . ?
O81 Mg4 C10 90.39(17) 4_566 . ?
O81 Mg4 C11 88.12(18) 4_566 . ?
O81 Mg4 C103 88.74(17) 4_566 3_566 ?
O81 Mg4 C104 91.40(18) 4_566 3_566 ?
O92 Mg4 C10 88.8(2) . . ?
O92 Mg4 C11 91.1(2) . . ?
O92 Mg4 C103 92.0(2) . 3_566 ?
O92 Mg4 C104 89.4(2) . 3_566 ?
C10 Mg4 C11 29.17(15) . . ?
C10 Mg4 C103 176.85(17) . 3_566 ?
C10 Mg4 C104 154.29(17) . 3_566 ?
C11 Mg4 C103 147.74(17) . 3_566 ?
C104 Mg4 C11 176.53(17) 3_566 . ?
C104 Mg4 C103 28.79(16) 3_566 3_566 ?
O7 Mg5 O32 175.24(19) 3_566 . ?
O7 Mg5 O76 89.96(18) 3_566 . ?
O7 Mg5 O93 92.3(2) 3_566 . ?
O7 Mg5 C16 26.92(15) 3_566 3_566 ?
O7 Mg5 C17 55.83(16) 3_566 3_566 ?
O7 Mg5 C96 150.59(18) 3_566 . ?
O7 Mg5 C97 121.81(17) 3_566 . ?
O8 Mg5 O7 82.96(16) 3_566 3_566 ?
O8 Mg5 O32 100.80(17) 3_566 . ?
O8 Mg5 O33 177.48(19) 3_566 . ?
O8 Mg5 O76 97.3(2) 3_566 . ?
O8 Mg5 O93 87.0(2) 3_566 . ?
O8 Mg5 C16 56.14(16) 3_566 3_566 ?
O8 Mg5 C17 27.17(15) 3_566 3_566 ?
O8 Mg5 C96 126.41(17) 3_566 . ?
O8 Mg5 C97 155.23(17) 3_566 . ?
O32 Mg5 O76 92.45(19) . . ?
O32 Mg5 O93 85.0(2) . . ?
O32 Mg5 C16 156.93(18) . 3_566 ?
O32 Mg5 C17 127.96(18) . 3_566 ?
O32 Mg5 C96 25.64(15) . . ?
O32 Mg5 C97 54.45(15) . . ?
O33 Mg5 O7 95.36(16) . 3_566 ?
O33 Mg5 O32 80.79(16) . . ?
O33 Mg5 O76 84.6(2) . . ?
O33 Mg5 O93 91.2(2) . . ?
O33 Mg5 C16 122.25(17) . 3_566 ?
O33 Mg5 C17 151.19(17) . 3_566 ?
O33 Mg5 C96 55.23(15) . . ?
O33 Mg5 C97 26.49(14) . . ?
O76 Mg5 O93 175.4(2) . . ?
O76 Mg5 C16 91.16(18) . 3_566 ?
O76 Mg5 C17 94.69(19) . 3_566 ?
O76 Mg5 C96 87.87(18) . . ?
O76 Mg5 C97 84.08(19) . . ?
O93 Mg5 C16 92.7(2) . 3_566 ?
O93 Mg5 C17 89.9(2) . 3_566 ?
O93 Mg5 C96 88.2(2) . . ?
O93 Mg5 C97 91.3(2) . . ?
C16 Mg5 C97 148.61(17) 3_566 . ?
C17 Mg5 C16 28.98(16) 3_566 3_566 ?
C17 Mg5 C96 153.57(17) 3_566 . ?
C17 Mg5 C97 177.41(18) 3_566 . ?
C96 Mg5 C16 177.37(18) . 3_566 ?
C96 Mg5 C97 28.82(15) . . ?
O8 Mg6 O9 82.47(16) . . ?
O8 Mg6 O13 168.5(2) . . ?
O8 Mg6 O14 101.70(17) . . ?
O8 Mg6 O85 99.5(2) . . ?
O8 Mg6 O94 82.9(3) . . ?
O8 Mg6 C17 26.94(15) . . ?
O8 Mg6 C18 55.67(16) . . ?
O8 Mg6 C41 156.25(18) . . ?
O8 Mg6 C42 128.08(18) . . ?
O9 Mg6 O85 93.56(18) . . ?
O9 Mg6 O94 88.7(3) . . ?
O9 Mg6 C17 55.84(16) . . ?
O9 Mg6 C18 27.21(15) . . ?
O9 Mg6 C41 118.60(18) . . ?
O9 Mg6 C42 147.07(19) . . ?
O13 Mg6 O9 91.81(17) . . ?
O13 Mg6 O85 90.73(19) . . ?
O13 Mg6 O94 87.0(3) . . ?
O13 Mg6 C17 147.23(18) . . ?
O13 Mg6 C18 119.02(17) . . ?
O13 Mg6 C41 26.83(15) . . ?
O13 Mg6 C42 55.81(16) . . ?
O14 Mg6 O9 168.7(2) . . ?
O14 Mg6 O13 82.16(16) . . ?
O14 Mg6 O85 96.1(2) . . ?
O14 Mg6 O94 81.5(3) . . ?
O14 Mg6 C17 128.61(18) . . ?
O14 Mg6 C18 156.80(18) . . ?
O14 Mg6 C41 55.53(16) . . ?
O14 Mg6 C42 26.51(16) . . ?
O85 Mg6 O94 176.9(3) . . ?
O85 Mg6 C17 95.94(18) . . ?
O85 Mg6 C18 93.14(17) . . ?
O85 Mg6 C41 90.42(18) . . ?
O85 Mg6 C42 92.80(18) . . ?
O94 Mg6 C17 87.1(2) . . ?
O94 Mg6 C18 89.8(2) . . ?
O94 Mg6 C41 86.6(3) . . ?
O94 Mg6 C42 84.2(2) . . ?
C17 Mg6 C18 28.79(16) . . ?
C17 Mg6 C41 171.72(18) . . ?
C18 Mg6 C41 145.78(18) . . ?
C42 Mg6 C17 154.80(18) . . ?
C42 Mg6 C18 172.19(19) . . ?
C42 Mg6 C41 29.06(16) . . ?
O10 Mg7 O24 93.54(17) . . ?
O10 Mg7 O95 89.0(2) . . ?
O10 Mg7 O96 90.0(2) . . ?
O10 Mg7 C23 27.36(15) . . ?
O10 Mg7 C24 56.39(16) . . ?
O10 Mg7 C64 149.11(18) . . ?
O10 Mg7 C65 120.09(17) . . ?
O11 Mg7 O10 83.74(16) . . ?
O11 Mg7 O23 100.22(17) . . ?
O11 Mg7 O24 176.5(2) . . ?
O11 Mg7 O95 92.8(2) . . ?
O11 Mg7 O96 87.6(2) . . ?
O11 Mg7 C23 56.50(16) . . ?
O11 Mg7 C24 27.40(16) . . ?
O11 Mg7 C64 127.12(18) . . ?
O11 Mg7 C65 156.17(18) . . ?
O23 Mg7 O10 174.9(2) . . ?
O23 Mg7 O24 82.38(17) . . ?
O23 Mg7 O95 94.0(2) . . ?
O23 Mg7 O96 86.9(2) . . ?
O23 Mg7 C23 156.71(18) . . ?
O23 Mg7 C24 127.62(18) . . ?
O23 Mg7 C64 26.96(16) . . ?
O23 Mg7 C65 55.99(16) . . ?
O24 Mg7 O95 89.4(2) . . ?
O24 Mg7 O96 90.2(2) . . ?
O24 Mg7 C23 120.86(17) . . ?
O24 Mg7 C24 149.92(18) . . ?
O24 Mg7 C64 55.57(16) . . ?
O24 Mg7 C65 26.63(16) . . ?
O95 Mg7 O96 178.9(3) . . ?
O95 Mg7 C23 88.2(2) . . ?
O95 Mg7 C24 90.5(2) . . ?
O95 Mg7 C64 90.5(2) . . ?
O95 Mg7 C65 88.1(2) . . ?
O96 Mg7 C23 91.2(2) . . ?
O96 Mg7 C24 89.4(2) . . ?
O96 Mg7 C64 90.1(2) . . ?
O96 Mg7 C65 92.0(2) . . ?
C23 Mg7 C65 147.29(17) . . ?
C24 Mg7 C23 29.10(16) . . ?
C24 Mg7 C64 154.50(18) . . ?
C24 Mg7 C65 176.24(18) . . ?
C64 Mg7 C23 176.23(18) . . ?
C64 Mg7 C65 29.06(16) . . ?
O11 Mg8 O12 82.84(16) . . ?
O11 Mg8 O27 172.3(2) . . ?
O11 Mg8 O97 94.8(2) . . ?
O11 Mg8 O98 82.7(3) . . ?
O11 Mg8 C24 26.90(15) . . ?
O11 Mg8 C25 56.09(16) . . ?
O11 Mg8 C82 127.30(18) . . ?
O11 Mg8 C83 156.36(18) . . ?
O12 Mg8 O27 93.42(16) . . ?
O12 Mg8 O97 93.4(2) . . ?
O12 Mg8 O98 88.0(3) . . ?
O12 Mg8 C24 56.04(15) . . ?
O12 Mg8 C25 26.91(15) . . ?
O12 Mg8 C82 149.28(18) . . ?
O12 Mg8 C83 120.32(17) . . ?
O26 Mg8 O11 100.31(17) . . ?
O26 Mg8 O12 171.7(2) . . ?
O26 Mg8 O27 82.52(16) . . ?
O26 Mg8 O97 93.9(3) . . ?
O26 Mg8 O98 84.8(3) . . ?
O26 Mg8 C24 127.16(18) . . ?
O26 Mg8 C25 156.04(18) . . ?
O26 Mg8 C82 27.01(15) . . ?
O26 Mg8 C83 56.09(16) . . ?
O27 Mg8 O97 92.1(2) . . ?
O27 Mg8 O98 90.5(3) . . ?
O27 Mg8 C24 149.20(18) . . ?
O27 Mg8 C25 120.33(17) . . ?
O27 Mg8 C82 55.93(15) . . ?
O27 Mg8 C83 26.95(15) . . ?
O97 Mg8 O98 176.9(3) . . ?
O97 Mg8 C24 93.6(2) . . ?
O97 Mg8 C25 92.4(2) . . ?
O97 Mg8 C82 90.0(2) . . ?
O97 Mg8 C83 88.8(2) . . ?
O98 Mg8 C24 85.0(2) . . ?
O98 Mg8 C25 87.6(2) . . ?
O98 Mg8 C82 90.2(2) . . ?
O98 Mg8 C83 92.8(2) . . ?
C24 Mg8 C25 29.21(15) . . ?
C24 Mg8 C82 154.16(17) . . ?
C24 Mg8 C83 175.75(18) . . ?
C25 Mg8 C83 147.23(17) . . ?
C82 Mg8 C25 175.66(18) . . ?
C82 Mg8 C83 29.17(16) . . ?
O14 Mg9 O32 99.62(17) . 3_566 ?
O14 Mg9 O79 92.11(19) . . ?
O14 Mg9 O99 86.7(2) . . ?
O14 Mg9 C42 26.79(15) . . ?
O14 Mg9 C43 56.22(16) . . ?
O14 Mg9 C95 155.24(17) . 3_566 ?
O14 Mg9 C96 125.88(17) . 3_566 ?
O15 Mg9 O14 83.05(16) . . ?
O15 Mg9 O31 95.19(17) . 3_566 ?
O15 Mg9 O32 176.49(19) . 3_566 ?
O15 Mg9 O79 93.83(18) . . ?
O15 Mg9 O99 91.1(2) . . ?
O15 Mg9 C42 56.26(16) . . ?
O15 Mg9 C43 26.84(15) . . ?
O15 Mg9 C95 121.71(17) . 3_566 ?
O15 Mg9 C96 151.06(18) . 3_566 ?
O31 Mg9 O14 177.70(19) 3_566 . ?
O31 Mg9 O32 82.08(16) 3_566 3_566 ?
O31 Mg9 O79 89.49(18) 3_566 . ?
O31 Mg9 O99 91.9(2) 3_566 . ?
O31 Mg9 C42 151.44(17) 3_566 . ?
O31 Mg9 C43 122.03(17) 3_566 . ?
O31 Mg9 C95 26.58(14) 3_566 3_566 ?
O31 Mg9 C96 55.87(15) 3_566 3_566 ?
O32 Mg9 O79 88.38(18) 3_566 . ?
O32 Mg9 O99 86.8(2) 3_566 . ?
O32 Mg9 C42 126.39(18) 3_566 . ?
O32 Mg9 C43 155.80(18) 3_566 . ?
O32 Mg9 C95 55.68(16) 3_566 3_566 ?
O32 Mg9 C96 26.31(15) 3_566 3_566 ?
O79 Mg9 O99 174.8(2) . . ?
O79 Mg9 C42 93.19(19) . . ?
O79 Mg9 C43 93.53(18) . . ?
O79 Mg9 C95 86.12(18) . 3_566 ?
O79 Mg9 C96 86.40(18) . 3_566 ?
O99 Mg9 C42 88.0(2) . . ?
O99 Mg9 C43 90.0(2) . . ?
O99 Mg9 C95 92.9(2) . 3_566 ?
O99 Mg9 C96 90.2(2) . 3_566 ?
C42 Mg9 C43 29.44(16) . . ?
C42 Mg9 C95 177.83(18) . 3_566 ?
C42 Mg9 C96 152.67(18) . 3_566 ?
C43 Mg9 C95 148.52(17) . 3_566 ?
C96 Mg9 C43 177.89(18) 3_566 . ?
C96 Mg9 C95 29.38(15) 3_566 3_566 ?
O16 Mg10 O30 92.55(16) . 3_566 ?
O16 Mg10 O84 93.40(17) . 1_454 ?
O16 Mg10 O100 91.3(3) . . ?
O16 Mg10 C49 27.41(14) . . ?
O16 Mg10 C50 56.37(15) . . ?
O16 Mg10 C90 147.63(16) . 3_566 ?
O16 Mg10 C91 119.18(16) . 3_566 ?
O17 Mg10 O16 83.14(16) . . ?
O17 Mg10 O29 101.72(16) . 3_566 ?
O17 Mg10 O30 171.56(19) . 3_566 ?
O17 Mg10 O84 90.16(17) . 1_454 ?
O17 Mg10 O100 86.7(3) . . ?
O17 Mg10 C49 56.48(15) . . ?
O17 Mg10 C50 27.56(15) . . ?
O17 Mg10 C90 128.00(16) . 3_566 ?
O17 Mg10 C91 155.79(17) . 3_566 ?
O29 Mg10 O16 173.18(18) 3_566 . ?
O29 Mg10 O30 82.01(15) 3_566 3_566 ?
O29 Mg10 O84 91.39(17) 3_566 1_454 ?
O29 Mg10 O100 84.3(3) 3_566 . ?
O29 Mg10 C49 158.12(17) 3_566 . ?
O29 Mg10 C50 128.96(16) 3_566 . ?
O29 Mg10 C90 26.64(14) 3_566 3_566 ?
O29 Mg10 C91 55.26(15) 3_566 3_566 ?
O30 Mg10 O84 97.36(17) 3_566 1_454 ?
O30 Mg10 O100 86.2(3) 3_566 . ?
O30 Mg10 C49 119.83(16) 3_566 . ?
O30 Mg10 C50 148.91(17) 3_566 . ?
O30 Mg10 C90 55.38(15) 3_566 3_566 ?
O30 Mg10 C91 26.76(14) 3_566 3_566 ?
O84 Mg10 O100 174.0(3) 1_454 . ?
O84 Mg10 C49 87.16(16) 1_454 . ?
O84 Mg10 C50 85.82(16) 1_454 . ?
O84 Mg10 C90 94.92(17) 1_454 3_566 ?
O84 Mg10 C91 97.21(16) 1_454 3_566 ?
O100 Mg10 C49 95.3(2) . . ?
O100 Mg10 C50 93.7(3) . . ?
O100 Mg10 C90 83.1(2) . 3_566 ?
O100 Mg10 C91 83.8(3) . 3_566 ?
C49 Mg10 C91 146.55(16) . 3_566 ?
C50 Mg10 C49 29.16(15) . . ?
C50 Mg10 C90 155.48(16) . 3_566 ?
C50 Mg10 C91 174.91(17) . 3_566 ?
C90 Mg10 C49 174.96(16) 3_566 . ?
C90 Mg10 C91 28.62(15) 3_566 3_566 ?
O20 Mg11 O21 83.20(16) . . ?
O20 Mg11 O35 100.41(17) . . ?
O20 Mg11 O36 170.62(19) . . ?
O20 Mg11 O78 95.70(18) . 4_575 ?
O20 Mg11 O101 82.4(3) . . ?
O20 Mg11 C57 27.28(16) . . ?
O20 Mg11 C58 56.03(16) . . ?
O20 Mg11 C104 127.26(18) . . ?
O20 Mg11 C105 156.10(18) . . ?
O21 Mg11 O78 92.93(19) . 4_575 ?
O21 Mg11 O101 89.8(3) . . ?
O21 Mg11 C57 56.04(16) . . ?
O21 Mg11 C58 27.36(15) . . ?
O21 Mg11 C104 148.48(18) . . ?
O21 Mg11 C105 119.53(17) . . ?
O35 Mg11 O21 171.91(19) . . ?
O35 Mg11 O36 82.79(16) . . ?
O35 Mg11 O78 93.90(19) . 4_575 ?
O35 Mg11 O101 83.6(3) . . ?
O35 Mg11 C57 127.66(18) . . ?
O35 Mg11 C58 156.17(18) . . ?
O35 Mg11 C104 26.89(15) . . ?
O35 Mg11 C105 56.08(16) . . ?
O36 Mg11 O21 92.54(16) . . ?
O36 Mg11 O78 92.85(18) . 4_575 ?
O36 Mg11 O101 89.2(3) . . ?
O36 Mg11 C57 148.14(18) . . ?
O36 Mg11 C58 119.88(17) . . ?
O36 Mg11 C104 56.09(16) . . ?
O36 Mg11 C105 26.99(15) . . ?
O78 Mg11 O101 176.5(3) 4_575 . ?
O78 Mg11 C57 93.88(18) 4_575 . ?
O78 Mg11 C58 92.25(18) 4_575 . ?
O78 Mg11 C104 91.76(18) 4_575 . ?
O78 Mg11 C105 90.69(18) 4_575 . ?
O101 Mg11 C57 85.8(2) . . ?
O101 Mg11 C58 89.2(2) . . ?
O101 Mg11 C104 87.1(2) . . ?
O101 Mg11 C105 89.9(2) . . ?
C57 Mg11 C58 28.77(16) . . ?
C57 Mg11 C105 173.77(18) . . ?
C104 Mg11 C57 154.42(18) . . ?
C104 Mg11 C58 174.48(18) . . ?
C104 Mg11 C105 29.22(16) . . ?
C105 Mg11 C58 146.87(17) . . ?
O22 Mg12 O102 90.8(2) . . ?
O22 Mg12 O103 91.2(2) . . ?
O22 Mg12 C63 26.53(15) . . ?
O22 Mg12 C64 55.47(16) . . ?
O22 Mg12 C81 121.27(17) . . ?
O22 Mg12 C82 149.74(18) . . ?
O23 Mg12 O22 81.95(16) . . ?
O23 Mg12 O25 175.18(19) . . ?
O23 Mg12 O102 91.6(2) . . ?
O23 Mg12 O103 86.8(2) . . ?
O23 Mg12 C63 55.55(16) . . ?
O23 Mg12 C64 26.53(16) . . ?
O23 Mg12 C81 156.75(18) . . ?
O23 Mg12 C82 128.26(18) . . ?
O25 Mg12 O22 94.04(17) . . ?
O25 Mg12 O102 91.1(2) . . ?
O25 Mg12 O103 90.7(2) . . ?
O25 Mg12 C63 120.55(17) . . ?
O25 Mg12 C64 149.51(18) . . ?
O25 Mg12 C81 27.26(15) . . ?
O25 Mg12 C82 55.70(16) . . ?
O26 Mg12 O22 175.7(2) . . ?
O26 Mg12 O23 101.09(18) . . ?
O26 Mg12 O25 82.77(17) . . ?
O26 Mg12 O102 92.2(2) . . ?
O26 Mg12 O103 85.9(2) . . ?
O26 Mg12 C63 156.64(18) . . ?
O26 Mg12 C64 127.62(18) . . ?
O26 Mg12 C81 55.66(16) . . ?
O26 Mg12 C82 27.19(16) . . ?
O102 Mg12 O103 177.2(3) . . ?
O102 Mg12 C63 89.0(2) . . ?
O102 Mg12 C64 90.2(2) . . ?
O102 Mg12 C81 89.4(2) . . ?
O102 Mg12 C82 90.0(2) . . ?
O103 Mg12 C63 91.9(2) . . ?
O103 Mg12 C64 89.4(2) . . ?
O103 Mg12 C81 91.2(2) . . ?
O103 Mg12 C82 89.2(2) . . ?
C63 Mg12 C81 147.70(17) . . ?
C64 Mg12 C63 29.02(16) . . ?
C64 Mg12 C81 176.71(18) . . ?
C82 Mg12 C63 176.11(18) . . ?
C82 Mg12 C64 154.77(18) . . ?
C82 Mg12 C81 28.49(16) . . ?
O37 Mg13 O75 91.55(17) . . ?
O37 Mg13 O104 88.2(2) . . ?
O37 Mg13 C121 27.32(16) . . ?
O37 Mg13 C122 55.82(17) . . ?
O37 Mg13 C202 148.93(19) . 3_667 ?
O37 Mg13 C203 120.18(18) . 3_667 ?
O38 Mg13 O37 83.13(17) . . ?
O38 Mg13 O63 175.70(18) . 3_667 ?
O38 Mg13 O75 88.83(17) . . ?
O38 Mg13 O104 85.8(2) . . ?
O38 Mg13 C121 55.89(16) . . ?
O38 Mg13 C122 27.34(15) . . ?
O38 Mg13 C202 127.70(17) . 3_667 ?
O38 Mg13 C203 156.60(17) . 3_667 ?
O62 Mg13 O37 172.24(19) 3_667 . ?
O62 Mg13 O38 100.90(17) 3_667 . ?
O62 Mg13 O63 82.38(16) 3_667 3_667 ?
O62 Mg13 O75 95.13(17) 3_667 . ?
O62 Mg13 O104 85.5(2) 3_667 . ?
O62 Mg13 C121 156.43(19) 3_667 . ?
O62 Mg13 C122 128.15(18) 3_667 . ?
O62 Mg13 C202 26.90(15) 3_667 3_667 ?
O62 Mg13 C203 55.72(16) 3_667 3_667 ?
O63 Mg13 O37 93.29(17) 3_667 . ?
O63 Mg13 O75 93.67(18) 3_667 . ?
O63 Mg13 O104 91.8(2) 3_667 . ?
O63 Mg13 C121 120.60(18) 3_667 . ?
O63 Mg13 C122 149.09(18) 3_667 . ?
O63 Mg13 C202 55.73(16) 3_667 3_667 ?
O63 Mg13 C203 26.89(15) 3_667 3_667 ?
O75 Mg13 O104 174.6(3) . . ?
O75 Mg13 C121 88.90(16) . . ?
O75 Mg13 C122 88.64(17) . . ?
O75 Mg13 C202 92.66(16) . 3_667 ?
O75 Mg13 C203 92.23(17) . 3_667 ?
O104 Mg13 C121 88.4(2) . . ?
O104 Mg13 C122 86.8(2) . . ?
O104 Mg13 C202 90.3(2) . 3_667 ?
O104 Mg13 C203 92.6(2) . 3_667 ?
C121 Mg13 C203 147.48(18) . 3_667 ?
C122 Mg13 C121 28.55(16) . . ?
C122 Mg13 C203 175.95(17) . 3_667 ?
C202 Mg13 C121 176.08(18) 3_667 . ?
C202 Mg13 C122 155.02(18) 3_667 . ?
C202 Mg13 C203 28.90(16) 3_667 3_667 ?
O38 Mg14 O39 82.19(17) 3_667 3_667 ?
O38 Mg14 O55 174.22(19) 3_667 . ?
O38 Mg14 O82 91.33(19) 3_667 . ?
O38 Mg14 O105 85.6(2) 3_667 . ?
O38 Mg14 C122 26.68(16) 3_667 3_667 ?
O38 Mg14 C123 55.30(17) 3_667 3_667 ?
O38 Mg14 C176 157.47(19) 3_667 . ?
O38 Mg14 C177 128.88(19) 3_667 . ?
O39 Mg14 O82 93.88(18) 3_667 . ?
O39 Mg14 O105 87.7(2) 3_667 . ?
O39 Mg14 C122 55.51(17) 3_667 3_667 ?
O39 Mg14 C123 26.89(16) 3_667 3_667 ?
O39 Mg14 C176 120.34(18) 3_667 . ?
O39 Mg14 C177 148.85(19) 3_667 . ?
O55 Mg14 O39 92.74(18) . 3_667 ?
O55 Mg14 O82 91.78(19) . . ?
O55 Mg14 O105 91.5(2) . . ?
O55 Mg14 C122 148.13(19) . 3_667 ?
O55 Mg14 C123 119.61(19) . 3_667 ?
O55 Mg14 C176 27.71(16) . . ?
O55 Mg14 C177 56.11(17) . . ?
O56 Mg14 O38 101.98(18) . 3_667 ?
O56 Mg14 O39 172.2(2) . 3_667 ?
O56 Mg14 O55 82.74(17) . . ?
O56 Mg14 O82 92.62(18) . . ?
O56 Mg14 O105 86.1(2) . . ?
O56 Mg14 C122 128.41(19) . 3_667 ?
O56 Mg14 C123 156.60(19) . 3_667 ?
O56 Mg14 C176 55.64(17) . . ?
O56 Mg14 C177 27.15(16) . . ?
O82 Mg14 O105 176.3(3) . . ?
O82 Mg14 C122 93.06(17) . 3_667 ?
O82 Mg14 C123 93.43(17) . 3_667 ?
O82 Mg14 C176 87.52(17) . . ?
O82 Mg14 C177 88.26(17) . . ?
O105 Mg14 C122 85.1(2) . 3_667 ?
O105 Mg14 C123 86.4(2) . 3_667 ?
O105 Mg14 C176 94.6(2) . . ?
O105 Mg14 C177 92.1(2) . . ?
C122 Mg14 C123 28.63(17) 3_667 3_667 ?
C122 Mg14 C176 175.84(19) 3_667 . ?
C176 Mg14 C123 147.23(19) . 3_667 ?
C177 Mg14 C122 155.49(19) . 3_667 ?
C177 Mg14 C123 175.49(19) . 3_667 ?
C177 Mg14 C176 28.61(16) . . ?
O40 Mg15 O54 92.90(18) 3_667 . ?
O40 Mg15 O120 91.4(3) 3_667 . ?
O40 Mg15 O121 91.1(3) 3_667 . ?
O40 Mg15 C129 27.09(16) 3_667 3_667 ?
O40 Mg15 C130 56.08(18) 3_667 3_667 ?
O40 Mg15 C170 148.66(19) 3_667 . ?
O40 Mg15 C171 119.66(19) 3_667 . ?
O41 Mg15 O40 83.34(19) 3_667 3_667 ?
O41 Mg15 O53 100.8(2) 3_667 . ?
O41 Mg15 O54 175.0(2) 3_667 . ?
O41 Mg15 O120 91.1(3) 3_667 . ?
O41 Mg15 O121 85.2(3) 3_667 . ?
O41 Mg15 C129 56.44(18) 3_667 3_667 ?
O41 Mg15 C130 27.40(17) 3_667 3_667 ?
O41 Mg15 C170 127.8(2) 3_667 . ?
O41 Mg15 C171 156.8(2) 3_667 . ?
O53 Mg15 O40 174.0(2) . 3_667 ?
O53 Mg15 O54 82.66(18) . . ?
O53 Mg15 O120 92.8(3) . . ?
O53 Mg15 O121 85.0(3) . . ?
O53 Mg15 C129 157.3(2) . 3_667 ?
O53 Mg15 C130 128.2(2) . 3_667 ?
O53 Mg15 C170 26.93(17) . . ?
O53 Mg15 C171 55.99(17) . . ?
O54 Mg15 O120 92.3(3) . . ?
O54 Mg15 O121 91.6(3) . . ?
O54 Mg15 C129 119.95(19) . 3_667 ?
O54 Mg15 C130 149.0(2) . 3_667 ?
O54 Mg15 C170 55.81(17) . . ?
O54 Mg15 C171 26.76(16) . . ?
O120 Mg15 O121 175.2(3) . . ?
O120 Mg15 C129 88.7(3) . 3_667 ?
O120 Mg15 C130 89.1(3) . 3_667 ?
O120 Mg15 C170 91.6(3) . . ?
O120 Mg15 C171 91.2(3) . . ?
O121 Mg15 C129 91.6(3) . 3_667 ?
O121 Mg15 C130 88.9(3) . 3_667 ?
O121 Mg15 C170 88.4(3) . . ?
O121 Mg15 C171 91.1(3) . . ?
C129 Mg15 C171 146.69(19) 3_667 . ?
C130 Mg15 C129 29.07(17) 3_667 3_667 ?
C130 Mg15 C170 155.2(2) 3_667 . ?
C130 Mg15 C171 175.7(2) 3_667 . ?
C170 Mg15 C129 175.76(19) . 3_667 ?
C170 Mg15 C171 29.08(17) . . ?
O41 Mg16 O42 83.08(19) . . ?
O41 Mg16 O68 100.71(19) . . ?
O41 Mg16 O69 174.9(2) . . ?
O41 Mg16 O108 94.6(2) . . ?
O41 Mg16 O109 85.8(3) . . ?
O41 Mg16 C130 27.34(18) . . ?
O41 Mg16 C131 56.02(18) . . ?
O41 Mg16 C217 127.7(2) . . ?
O41 Mg16 C218 156.4(2) . . ?
O42 Mg16 O69 93.52(19) . . ?
O42 Mg16 O108 89.9(3) . . ?
O42 Mg16 O109 90.0(3) . . ?
O42 Mg16 C130 55.86(18) . . ?
O42 Mg16 C131 27.23(17) . . ?
O42 Mg16 C217 149.0(2) . . ?
O42 Mg16 C218 120.34(19) . . ?
O68 Mg16 O42 174.1(2) . . ?
O68 Mg16 O69 82.39(18) . . ?
O68 Mg16 O108 94.3(3) . . ?
O68 Mg16 O109 85.9(3) . . ?
O68 Mg16 C130 128.1(2) . . ?
O68 Mg16 C131 156.7(2) . . ?
O68 Mg16 C217 26.95(17) . . ?
O68 Mg16 C218 55.69(18) . . ?
O69 Mg16 O108 89.2(2) . . ?
O69 Mg16 O109 90.4(3) . . ?
O69 Mg16 C130 149.4(2) . . ?
O69 Mg16 C131 120.7(2) . . ?
O69 Mg16 C217 55.53(18) . . ?
O69 Mg16 C218 26.83(17) . . ?
O108 Mg16 O109 179.6(4) . . ?
O108 Mg16 C130 91.4(2) . . ?
O108 Mg16 C131 89.3(2) . . ?
O108 Mg16 C217 91.2(2) . . ?
O108 Mg16 C218 89.0(2) . . ?
O109 Mg16 C130 88.8(3) . . ?
O109 Mg16 C131 90.7(3) . . ?
O109 Mg16 C217 88.7(3) . . ?
O109 Mg16 C218 90.8(2) . . ?
C130 Mg16 C131 28.70(18) . . ?
C130 Mg16 C217 155.0(2) . . ?
C130 Mg16 C218 176.2(2) . . ?
C131 Mg16 C218 147.5(2) . . ?
C217 Mg16 C131 176.2(2) . . ?
C217 Mg16 C218 28.76(18) . . ?
O43 Mg17 O110 92.0(2) . . ?
O43 Mg17 O111 90.2(3) . . ?
O43 Mg17 C136 27.23(18) . . ?
O43 Mg17 C137 55.75(19) . . ?
O43 Mg17 C223 120.0(2) . . ?
O43 Mg17 C224 148.9(2) . . ?
O44 Mg17 O43 82.89(19) . . ?
O44 Mg17 O70 173.8(2) . . ?
O44 Mg17 O71 101.14(19) . . ?
O44 Mg17 O110 90.5(3) . . ?
O44 Mg17 O111 85.3(3) . . ?
O44 Mg17 C136 55.77(18) . . ?
O44 Mg17 C137 27.24(18) . . ?
O44 Mg17 C223 156.9(2) . . ?
O44 Mg17 C224 128.0(2) . . ?
O70 Mg17 O43 92.99(19) . . ?
O70 Mg17 O110 94.3(3) . . ?
O70 Mg17 O111 90.1(3) . . ?
O70 Mg17 C136 120.2(2) . . ?
O70 Mg17 C137 148.7(2) . . ?
O70 Mg17 C223 27.05(16) . . ?
O70 Mg17 C224 55.92(18) . . ?
O71 Mg17 O43 174.6(2) . . ?
O71 Mg17 O70 82.69(18) . . ?
O71 Mg17 O110 91.6(2) . . ?
O71 Mg17 O111 86.6(3) . . ?
O71 Mg17 C136 156.9(2) . . ?
O71 Mg17 C137 128.4(2) . . ?
O71 Mg17 C223 55.79(18) . . ?
O71 Mg17 C224 26.86(17) . . ?
O110 Mg17 O111 175.0(3) . . ?
O110 Mg17 C136 89.7(2) . . ?
O110 Mg17 C137 89.2(3) . . ?
O110 Mg17 C223 91.7(2) . . ?
O110 Mg17 C224 91.3(2) . . ?
O111 Mg17 C136 90.1(3) . . ?
O111 Mg17 C137 88.3(3) . . ?
O111 Mg17 C223 91.1(3) . . ?
O111 Mg17 C224 89.2(3) . . ?
C137 Mg17 C136 28.56(18) . . ?
C137 Mg17 C223 175.7(2) . . ?
C223 Mg17 C136 147.2(2) . . ?
C224 Mg17 C136 176.1(2) . . ?
C224 Mg17 C137 155.2(2) . . ?
C224 Mg17 C223 28.94(17) . . ?
O44 Mg18 O45 82.35(18) . . ?
O44 Mg18 O59 101.37(19) . . ?
O44 Mg18 O60 173.3(2) . . ?
O44 Mg18 O112 92.4(2) . . ?
O44 Mg18 O113 84.8(3) . . ?
O44 Mg18 C137 27.04(17) . . ?
O44 Mg18 C138 55.47(18) . . ?
O44 Mg18 C184 128.60(19) . . ?
O44 Mg18 C185 157.30(19) . . ?
O45 Mg18 O112 91.5(2) . . ?
O45 Mg18 O113 90.5(2) . . ?
O45 Mg18 C137 55.57(19) . . ?
O45 Mg18 C138 27.17(18) . . ?
O45 Mg18 C184 148.6(2) . . ?
O45 Mg18 C185 119.94(19) . . ?
O59 Mg18 O45 174.2(2) . . ?
O59 Mg18 O60 83.09(17) . . ?
O59 Mg18 O112 92.8(2) . . ?
O59 Mg18 O113 85.5(2) . . ?
O59 Mg18 C137 128.4(2) . . ?
O59 Mg18 C138 156.8(2) . . ?
O59 Mg18 C184 27.25(17) . . ?
O59 Mg18 C185 56.06(17) . . ?
O60 Mg18 O45 92.82(19) . . ?
O60 Mg18 O112 92.5(2) . . ?
O60 Mg18 O113 90.5(3) . . ?
O60 Mg18 C137 148.39(19) . . ?
O60 Mg18 C138 119.95(19) . . ?
O60 Mg18 C184 55.88(17) . . ?
O60 Mg18 C185 27.11(15) . . ?
O112 Mg18 O113 176.3(3) . . ?
O112 Mg18 C137 89.3(2) . . ?
O112 Mg18 C138 88.8(2) . . ?
O112 Mg18 C184 92.0(2) . . ?
O112 Mg18 C185 91.3(2) . . ?
O113 Mg18 C137 89.3(3) . . ?
O113 Mg18 C138 91.6(2) . . ?
O113 Mg18 C184 87.9(2) . . ?
O113 Mg18 C185 90.3(2) . . ?
C137 Mg18 C138 28.49(18) . . ?
C137 Mg18 C185 175.49(19) . . ?
C184 Mg18 C137 155.6(2) . . ?
C184 Mg18 C138 175.8(2) . . ?
C184 Mg18 C185 28.82(16) . . ?
C185 Mg18 C138 147.04(19) . . ?
O46 Mg19 O49 92.75(18) . . ?
O46 Mg19 O114 93.7(3) . . ?
O46 Mg19 O115 89.1(3) . . ?
O46 Mg19 C143 26.91(16) . . ?
O46 Mg19 C144 56.11(18) . . ?
O46 Mg19 C161 119.55(19) . . ?
O46 Mg19 C162 148.54(19) . . ?
O47 Mg19 O46 82.95(18) . . ?
O47 Mg19 O49 173.6(2) . . ?
O47 Mg19 O114 91.9(3) . . ?
O47 Mg19 O115 85.8(3) . . ?
O47 Mg19 C143 56.20(18) . . ?
O47 Mg19 C144 26.98(18) . . ?
O47 Mg19 C161 157.4(2) . . ?
O47 Mg19 C162 128.4(2) . . ?
O49 Mg19 O114 93.1(2) . . ?
O49 Mg19 O115 89.3(3) . . ?
O49 Mg19 C143 119.65(19) . . ?
O49 Mg19 C144 148.8(2) . . ?
O49 Mg19 C161 26.88(17) . . ?
O49 Mg19 C162 55.79(18) . . ?
O50 Mg19 O46 174.0(2) . . ?
O50 Mg19 O47 101.17(19) . . ?
O50 Mg19 O49 82.78(18) . . ?
O50 Mg19 O114 90.5(3) . . ?
O50 Mg19 O115 86.9(3) . . ?
O50 Mg19 C143 157.34(19) . . ?
O50 Mg19 C144 128.1(2) . . ?
O50 Mg19 C161 56.20(18) . . ?
O50 Mg19 C162 27.23(17) . . ?
O114 Mg19 O115 176.1(3) . . ?
O114 Mg19 C143 91.3(2) . . ?
O114 Mg19 C144 90.8(2) . . ?
O114 Mg19 C161 89.2(2) . . ?
O114 Mg19 C162 88.6(2) . . ?
O115 Mg19 C143 90.0(3) . . ?
O115 Mg19 C144 88.6(3) . . ?
O115 Mg19 C161 91.7(3) . . ?
O115 Mg19 C162 90.4(3) . . ?
C144 Mg19 C143 29.26(17) . . ?
C144 Mg19 C161 175.7(2) . . ?
C144 Mg19 C162 155.3(2) . . ?
C161 Mg19 C143 146.40(19) . . ?
C162 Mg19 C143 175.42(19) . . ?
C162 Mg19 C161 29.03(17) . . ?
O50 Mg20 O51 82.58(18) . . ?
O50 Mg20 O65 100.8(2) . 3_667 ?
O50 Mg20 O66 173.2(2) . 3_667 ?
O50 Mg20 O116 93.3(2) . . ?
O50 Mg20 O117 86.7(3) . . ?
O50 Mg20 C162 27.06(17) . . ?
O50 Mg20 C163 55.93(18) . . ?
O50 Mg20 C210 128.4(2) . 3_667 ?
O50 Mg20 C211 156.9(2) . 3_667 ?
O51 Mg20 O116 92.0(2) . . ?
O51 Mg20 O117 89.2(3) . . ?
O51 Mg20 C162 55.72(18) . . ?
O51 Mg20 C163 26.91(18) . . ?
O51 Mg20 C210 148.7(2) . 3_667 ?
O51 Mg20 C211 120.2(2) . 3_667 ?
O65 Mg20 O51 174.1(2) 3_667 . ?
O65 Mg20 O66 82.93(18) 3_667 3_667 ?
O65 Mg20 O116 92.6(2) 3_667 . ?
O65 Mg20 O117 86.2(3) 3_667 . ?
O65 Mg20 C162 127.9(2) 3_667 . ?
O65 Mg20 C163 156.8(2) 3_667 . ?
O65 Mg20 C210 27.53(18) 3_667 3_667 ?
O65 Mg20 C211 56.16(18) 3_667 3_667 ?
O66 Mg20 O51 93.20(19) 3_667 . ?
O66 Mg20 O116 92.2(2) 3_667 . ?
O66 Mg20 O117 87.9(3) 3_667 . ?
O66 Mg20 C162 148.9(2) 3_667 . ?
O66 Mg20 C163 120.1(2) 3_667 . ?
O66 Mg20 C210 55.57(18) 3_667 3_667 ?
O66 Mg20 C211 27.01(17) 3_667 3_667 ?
O116 Mg20 O117 178.8(3) . . ?
O116 Mg20 C162 90.7(2) . . ?
O116 Mg20 C163 89.8(2) . . ?
O116 Mg20 C210 90.5(2) . 3_667 ?
O116 Mg20 C211 89.8(2) . 3_667 ?
O117 Mg20 C162 89.8(3) . . ?
O117 Mg20 C163 91.2(3) . . ?
O117 Mg20 C210 88.6(3) . 3_667 ?
O117 Mg20 C211 89.7(3) . 3_667 ?
C162 Mg20 C163 28.91(18) . . ?
C162 Mg20 C211 175.9(2) . 3_667 ?
C210 Mg20 C162 155.4(2) 3_667 . ?
C210 Mg20 C163 175.7(2) 3_667 . ?
C210 Mg20 C211 28.66(18) 3_667 3_667 ?
C211 Mg20 C163 147.0(2) 3_667 . ?
O52 Mg21 O118 91.5(3) . . ?
O52 Mg21 O119 89.8(3) . . ?
O52 Mg21 C169 27.48(17) . . ?
O52 Mg21 C170 56.07(17) . . ?
O52 Mg21 C216 119.9(2) . 3_667 ?
O52 Mg21 C217 148.8(2) . 3_667 ?
O53 Mg21 O52 83.25(18) . . ?
O53 Mg21 O67 173.7(2) . 3_667 ?
O53 Mg21 O68 100.8(2) . 3_667 ?
O53 Mg21 O118 93.4(2) . . ?
O53 Mg21 O119 85.7(3) . . ?
O53 Mg21 C169 55.92(18) . . ?
O53 Mg21 C170 27.30(18) . . ?
O53 Mg21 C216 156.6(2) . 3_667 ?
O53 Mg21 C217 127.7(2) . 3_667 ?
O67 Mg21 O52 92.69(19) 3_667 . ?
O67 Mg21 O118 91.5(2) 3_667 . ?
O67 Mg21 O119 89.4(3) 3_667 . ?
O67 Mg21 C169 120.2(2) 3_667 . ?
O67 Mg21 C170 148.7(2) 3_667 . ?
O67 Mg21 C216 27.24(18) 3_667 3_667 ?
O67 Mg21 C217 56.13(19) 3_667 3_667 ?
O68 Mg21 O52 173.7(2) 3_667 . ?
O68 Mg21 O67 82.89(19) 3_667 3_667 ?
O68 Mg21 O118 93.1(3) 3_667 . ?
O68 Mg21 O119 85.7(3) 3_667 . ?
O68 Mg21 C169 156.6(2) 3_667 . ?
O68 Mg21 C170 128.1(2) 3_667 . ?
O68 Mg21 C216 55.87(18) 3_667 3_667 ?
O68 Mg21 C217 26.90(18) 3_667 3_667 ?
O118 Mg21 O119 178.3(3) . . ?
O118 Mg21 C169 90.3(2) . . ?
O118 Mg21 C170 91.2(2) . . ?
O118 Mg21 C216 89.6(2) . 3_667 ?
O118 Mg21 C217 90.8(2) . 3_667 ?
O119 Mg21 C169 90.4(3) . . ?
O119 Mg21 C170 88.6(3) . . ?
O119 Mg21 C216 90.6(3) . 3_667 ?
O119 Mg21 C217 88.7(3) . 3_667 ?
C170 Mg21 C169 28.64(18) . . ?
C170 Mg21 C216 175.9(2) . 3_667 ?
C170 Mg21 C217 155.0(2) . 3_667 ?
C216 Mg21 C169 147.4(2) 3_667 . ?
C217 Mg21 C169 176.2(2) 3_667 . ?
C217 Mg21 C216 28.98(18) 3_667 3_667 ?
O01Y Mg22 O096 175.0(2) . . ?
O01Y Mg22 C177 89.33(16) . . ?
O01Y Mg22 C178 89.88(16) . . ?
O01Y Mg22 C201 89.96(16) . . ?
O01Y Mg22 C202 88.80(16) . . ?
O56 Mg22 O01Y 91.04(17) . . ?
O56 Mg22 O57 82.25(16) . . ?
O56 Mg22 O61 175.04(18) . . ?
O56 Mg22 O62 101.77(17) . . ?
O56 Mg22 O096 88.4(2) . . ?
O56 Mg22 C177 27.00(15) . . ?
O56 Mg22 C178 55.73(16) . . ?
O56 Mg22 C201 157.34(17) . . ?
O56 Mg22 C202 128.39(17) . . ?
O57 Mg22 O01Y 93.10(16) . . ?
O57 Mg22 O61 93.18(16) . . ?
O57 Mg22 O096 91.8(2) . . ?
O57 Mg22 C177 55.45(16) . . ?
O57 Mg22 C178 26.76(15) . . ?
O57 Mg22 C201 120.30(17) . . ?
O57 Mg22 C202 149.29(18) . . ?
O61 Mg22 O01Y 91.14(17) . . ?
O61 Mg22 O096 89.8(2) . . ?
O61 Mg22 C177 148.59(17) . . ?
O61 Mg22 C178 119.82(17) . . ?
O61 Mg22 C201 27.12(15) . . ?
O61 Mg22 C202 56.12(16) . . ?
O62 Mg22 O01Y 88.69(17) . . ?
O62 Mg22 O57 175.58(18) . . ?
O62 Mg22 O61 82.74(16) . . ?
O62 Mg22 O096 86.6(2) . . ?
O62 Mg22 C177 128.67(17) . . ?
O62 Mg22 C178 157.42(18) . . ?
O62 Mg22 C201 55.62(16) . . ?
O62 Mg22 C202 26.62(15) . . ?
O096 Mg22 C177 92.4(2) . . ?
O096 Mg22 C178 93.9(2) . . ?
O096 Mg22 C201 88.7(2) . . ?
O096 Mg22 C202 87.7(2) . . ?
C177 Mg22 C178 28.77(16) . . ?
C177 Mg22 C201 175.63(17) . . ?
C177 Mg22 C202 155.26(17) . . ?
C178 Mg22 C201 146.92(17) . . ?
C202 Mg22 C178 175.70(18) . . ?
C202 Mg22 C201 29.00(16) . . ?
O58 Mg23 O72 94.04(17) . . ?
O58 Mg23 O122 91.2(2) . . ?
O58 Mg23 O123 89.2(3) . . ?
O58 Mg23 C183 27.09(15) . . ?
O58 Mg23 C184 56.04(16) . . ?
O58 Mg23 C224 149.79(19) . . ?
O58 Mg23 C225 120.72(17) . . ?
O59 Mg23 O58 83.13(17) . . ?
O59 Mg23 O71 100.20(18) . . ?
O59 Mg23 O72 174.2(2) . . ?
O59 Mg23 O122 95.4(2) . . ?
O59 Mg23 O123 84.1(2) . . ?
O59 Mg23 C183 56.23(17) . . ?
O59 Mg23 C184 27.19(16) . . ?
O59 Mg23 C224 126.74(19) . . ?
O59 Mg23 C225 155.88(19) . . ?
O71 Mg23 O58 173.1(2) . . ?
O71 Mg23 O72 82.10(18) . . ?
O71 Mg23 O122 94.5(2) . . ?
O71 Mg23 O123 85.1(3) . . ?
O71 Mg23 C183 156.31(19) . . ?
O71 Mg23 C184 127.38(18) . . ?
O71 Mg23 C224 26.56(16) . . ?
O71 Mg23 C225 55.70(17) . . ?
O72 Mg23 O122 89.7(2) . . ?
O72 Mg23 O123 90.9(2) . . ?
O72 Mg23 C183 121.12(18) . . ?
O72 Mg23 C184 149.98(19) . . ?
O72 Mg23 C224 55.79(17) . . ?
O72 Mg23 C225 26.71(15) . . ?
O122 Mg23 O123 179.3(3) . . ?
O122 Mg23 C183 90.5(2) . . ?
O122 Mg23 C184 93.0(2) . . ?
O122 Mg23 C224 90.3(2) . . ?
O122 Mg23 C225 88.1(2) . . ?
O123 Mg23 C183 89.6(2) . . ?
O123 Mg23 C184 86.8(2) . . ?
O123 Mg23 C224 89.6(2) . . ?
O123 Mg23 C225 92.2(2) . . ?
C183 Mg23 C225 147.77(18) . . ?
C184 Mg23 C183 29.05(16) . . ?
C184 Mg23 C224 153.93(19) . . ?
C184 Mg23 C225 176.57(18) . . ?
C224 Mg23 C183 176.80(18) . . ?
C224 Mg23 C225 29.20(16) . . ?
O47 Mg24 O48 82.62(18) . . ?
O47 Mg24 O64 172.8(2) . 3_667 ?
O47 Mg24 O124 90.4(3) . . ?
O47 Mg24 O125 84.6(3) . . ?
O47 Mg24 C144 26.94(17) . . ?
O47 Mg24 C145 56.20(17) . . ?
O47 Mg24 C209 156.4(2) . 3_667 ?
O47 Mg24 C210 127.2(2) . 3_667 ?
O48 Mg24 O64 93.70(18) . 3_667 ?
O48 Mg24 O124 93.3(3) . . ?
O48 Mg24 O125 88.2(3) . . ?
O48 Mg24 C144 55.93(17) . . ?
O48 Mg24 C145 26.70(16) . . ?
O48 Mg24 C209 120.45(18) . 3_667 ?
O48 Mg24 C210 149.55(19) . 3_667 ?
O64 Mg24 O124 96.0(3) 3_667 . ?
O64 Mg24 O125 89.2(3) 3_667 . ?
O64 Mg24 C144 149.6(2) 3_667 . ?
O64 Mg24 C145 120.39(19) 3_667 . ?
O64 Mg24 C209 26.75(16) 3_667 3_667 ?
O64 Mg24 C210 55.94(17) 3_667 3_667 ?
O65 Mg24 O47 100.18(19) 3_667 . ?
O65 Mg24 O48 172.8(2) 3_667 . ?
O65 Mg24 O64 82.77(18) 3_667 3_667 ?
O65 Mg24 O124 93.3(3) 3_667 . ?
O65 Mg24 O125 85.5(3) 3_667 . ?
O65 Mg24 C144 127.12(19) 3_667 . ?
O65 Mg24 C145 156.27(19) 3_667 . ?
O65 Mg24 C209 56.30(17) 3_667 3_667 ?
O65 Mg24 C210 27.06(16) 3_667 3_667 ?
O124 Mg24 O125 174.5(3) . . ?
O124 Mg24 C144 88.6(3) . . ?
O124 Mg24 C145 89.5(3) . . ?
O124 Mg24 C209 93.0(3) . 3_667 ?
O124 Mg24 C210 92.3(3) . 3_667 ?
O125 Mg24 C144 87.9(3) . . ?
O125 Mg24 C145 89.5(3) . . ?
O125 Mg24 C209 90.8(3) . 3_667 ?
O125 Mg24 C210 89.0(3) . 3_667 ?
C144 Mg24 C145 29.33(17) . . ?
C144 Mg24 C209 176.18(19) . 3_667 ?
C144 Mg24 C210 154.17(19) . 3_667 ?
C145 Mg24 C209 147.11(18) . 3_667 ?
C210 Mg24 C145 176.05(19) 3_667 . ?
C210 Mg24 C209 29.29(17) 3_667 3_667 ?
C1 O1 Mg1 110.7(3) . . ?
Mg2 O2 Mg1 137.1(2) . . ?
C2 O2 Mg1 110.7(3) . . ?
C2 O2 Mg2 109.6(3) . . ?
C3 O3 Mg2 108.6(3) . . ?
C9 O4 Mg3 110.6(3) . 3_566 ?
Mg3 O5 Mg4 138.9(2) 3_566 . ?
C10 O5 Mg3 111.3(3) . 3_566 ?
C10 O5 Mg4 109.7(3) . . ?
C11 O6 Mg4 109.6(3) . . ?
C16 O7 Mg5 110.3(3) . 3_566 ?
Mg6 O8 Mg5 139.0(2) . 3_566 ?
C17 O8 Mg5 109.8(3) . 3_566 ?
C17 O8 Mg6 110.9(3) . . ?
C18 O9 Mg6 109.9(3) . . ?
C23 O10 Mg7 109.8(3) . . ?
Mg7 O11 Mg8 140.3(2) . . ?
C24 O11 Mg7 109.2(3) . . ?
C24 O11 Mg8 110.4(3) . . ?
C25 O12 Mg8 111.2(3) . . ?
C41 O13 Mg6 110.7(3) . . ?
Mg6 O14 Mg9 139.5(2) . . ?
C42 O14 Mg6 111.0(3) . . ?
C42 O14 Mg9 109.4(3) . . ?
C43 O15 Mg9 111.1(3) . . ?
C49 O16 Mg10 109.3(3) . . ?
Mg10 O17 Mg2 136.4(2) . 3_566 ?
C50 O17 Mg2 110.6(3) . 3_566 ?
C50 O17 Mg10 109.4(3) . . ?
C51 O18 Mg2 110.7(3) . 3_566 ?
C56 O19 Mg3 110.7(3) . . ?
Mg11 O20 Mg3 138.9(2) . . ?
C57 O20 Mg3 109.8(3) . . ?
C57 O20 Mg11 110.4(3) . . ?
C58 O21 Mg11 110.1(3) . . ?
C63 O22 Mg12 111.1(3) . . ?
Mg7 O23 Mg12 138.7(2) . . ?
C64 O23 Mg7 110.1(3) . . ?
C64 O23 Mg12 111.0(3) . . ?
C65 O24 Mg7 110.3(3) . . ?
C81 O25 Mg12 110.3(3) . . ?
Mg8 O26 Mg12 138.5(2) . . ?
C82 O26 Mg8 110.5(3) . . ?
C82 O26 Mg12 109.9(3) . . ?
C83 O27 Mg8 110.5(3) . . ?
C89 O28 Mg1 110.4(3) . . ?
Mg10 O29 Mg1 138.0(2) 3_566 . ?
C90 O29 Mg1 109.6(3) . . ?
C90 O29 Mg10 111.9(3) . 3_566 ?
C91 O30 Mg10 110.6(3) . 3_566 ?
C95 O31 Mg9 110.6(3) . 3_566 ?
Mg9 O32 Mg5 138.7(2) 3_566 . ?
C96 O32 Mg5 111.4(3) . . ?
C96 O32 Mg9 109.8(3) . 3_566 ?
C97 O33 Mg5 111.6(3) . . ?
C103 O34 Mg4 111.0(3) . 3_566 ?
Mg11 O35 Mg4 138.7(2) . 3_566 ?
C104 O35 Mg4 111.0(3) . 3_566 ?
C104 O35 Mg11 110.0(3) . . ?
C105 O36 Mg11 110.5(3) . . ?
C121 O37 Mg13 109.6(3) . . ?
Mg14 O38 Mg13 138.6(2) 3_667 . ?
C122 O38 Mg13 109.6(3) . . ?
C122 O38 Mg14 111.7(3) . 3_667 ?
C123 O39 Mg14 110.7(3) . 3_667 ?
C129 O40 Mg15 110.5(3) . 3_667 ?
Mg15 O41 Mg16 139.4(2) 3_667 . ?
C130 O41 Mg15 110.1(4) . 3_667 ?
C130 O41 Mg16 110.2(4) . . ?
C131 O42 Mg16 110.2(4) . . ?
C136 O43 Mg17 109.9(4) . . ?
Mg18 O44 Mg17 137.8(2) . . ?
C137 O44 Mg17 110.2(4) . . ?
C137 O44 Mg18 111.0(4) . . ?
C138 O45 Mg18 110.3(4) . . ?
C143 O46 Mg19 110.6(4) . . ?
Mg19 O47 Mg24 138.6(2) . . ?
C144 O47 Mg19 110.2(4) . . ?
C144 O47 Mg24 110.2(4) . . ?
C145 O48 Mg24 111.0(3) . . ?
C161 O49 Mg19 110.4(3) . . ?
Mg20 O50 Mg19 138.2(2) . . ?
C162 O50 Mg19 110.0(4) . . ?
C162 O50 Mg20 110.6(4) . . ?
C163 O51 Mg20 110.7(4) . . ?
C169 O52 Mg21 109.7(4) . . ?
Mg21 O53 Mg15 138.9(2) . . ?
C170 O53 Mg15 110.9(4) . . ?
C170 O53 Mg21 109.9(4) . . ?
C171 O54 Mg15 110.8(3) . . ?
C176 O55 Mg14 109.6(3) . . ?
Mg14 O56 Mg22 137.1(2) . . ?
C177 O56 Mg14 110.3(3) . . ?
C177 O56 Mg22 110.3(3) . . ?
C178 O57 Mg22 110.5(3) . . ?
C183 O58 Mg23 110.3(3) . . ?
Mg23 O59 Mg18 139.8(2) . . ?
C184 O59 Mg18 109.7(3) . . ?
C184 O59 Mg23 110.4(3) . . ?
C185 O60 Mg18 110.2(3) . . ?
C201 O61 Mg22 110.0(3) . . ?
Mg13 O62 Mg22 138.2(2) 3_667 . ?
C202 O62 Mg13 110.3(3) . 3_667 ?
C202 O62 Mg22 111.0(3) . . ?
C203 O63 Mg13 110.8(3) . 3_667 ?
C209 O64 Mg24 111.2(3) . 3_667 ?
Mg20 O65 Mg24 138.8(2) 3_667 3_667 ?
C210 O65 Mg20 109.4(4) . 3_667 ?
C210 O65 Mg24 110.7(4) . 3_667 ?
C211 O66 Mg20 110.5(4) . 3_667 ?
C216 O67 Mg21 109.9(4) . 3_667 ?
Mg16 O68 Mg21 138.7(2) . 3_667 ?
C217 O68 Mg16 110.4(4) . . ?
C217 O68 Mg21 110.5(4) . 3_667 ?
C218 O69 Mg16 110.3(4) . . ?
C223 O70 Mg17 110.2(4) . . ?
Mg23 O71 Mg17 138.6(2) . . ?
C224 O71 Mg17 109.8(4) . . ?
C224 O71 Mg23 111.0(4) . . ?
C225 O72 Mg23 110.8(3) . . ?
C241 O73 Mg1 120.1(4) . . ?
C243 O74 C242 116.8(5) . . ?
C244 O75 Mg13 130.6(4) . . ?
C245 O76 Mg5 123.7(5) . . ?
C246 O77 C247 112.8(9) . . ?
C248 O78 Mg11 121.5(6) . 4_576 ?
C249 O79 Mg9 133.0(4) . . ?
C251 O80 C250 112.3(5) . . ?
C252 O81 Mg4 129.7(4) . 4_565 ?
C253 O82 Mg14 128.8(6) . . ?
C255 O83 C254 115.2(6) . . ?
C256 O84 Mg10 133.3(4) . 1_656 ?
N1 O85 Mg6 125.9(4) . . ?
C264 O127 C263 112.9(6) . . ?
O85 N1 O86 118.5(6) . . ?
O87 N1 O85 123.2(7) . . ?
O87 N1 O86 118.2(7) . . ?
C257 N2 Mg3 123.1(5) . . ?
C261 N2 Mg3 122.6(5) . . ?
C261 N2 C257 112.2(6) . . ?
O1 C1 Mg1 42.3(2) . . ?
O1 C1 C2 115.8(5) . . ?
O1 C1 C6 123.2(5) . . ?
C2 C1 Mg1 73.9(3) . . ?
C6 C1 Mg1 163.5(4) . . ?
C6 C1 C2 121.0(5) . . ?
Mg2 C2 Mg1 84.17(15) . . ?
O2 C2 Mg1 42.3(2) . . ?
O2 C2 Mg2 42.8(2) . . ?
O2 C2 C1 119.1(5) . . ?
O2 C2 C3 120.8(5) . . ?
C1 C2 Mg1 77.4(3) . . ?
C1 C2 Mg2 161.6(4) . . ?
C3 C2 Mg1 161.6(4) . . ?
C3 C2 Mg2 78.2(3) . . ?
C3 C2 C1 120.1(5) . . ?
O3 C3 Mg2 44.0(2) . . ?
O3 C3 C2 116.8(4) . . ?
O3 C3 C4 123.3(5) . . ?
C2 C3 Mg2 72.9(3) . . ?
C4 C3 Mg2 167.0(4) . . ?
C4 C3 C2 119.9(5) . . ?
C3 C4 C7 118.9(5) . . ?
C5 C4 C3 118.2(5) . . ?
C5 C4 C7 122.8(4) . . ?
C4 C5 H5 118.1 . . ?
C6 C5 C4 123.7(5) . . ?
C6 C5 H5 118.1 . . ?
C1 C6 C28 120.1(5) . . ?
C5 C6 C1 116.9(5) . . ?
C5 C6 C28 122.8(5) . . ?
C4 C7 H7 106.8 . . ?
C4 C7 C29 113.3(4) . . ?
C8 C7 C4 109.5(4) . . ?
C8 C7 H7 106.8 . . ?
C8 C7 C29 113.2(4) . . ?
C29 C7 H7 106.8 . . ?
C9 C8 C7 119.9(4) . . ?
C13 C8 C7 122.5(5) . . ?
C13 C8 C9 117.5(4) . . ?
O4 C9 Mg3 42.4(2) . 3_566 ?
O4 C9 C8 123.5(4) . . ?
O4 C9 C10 115.4(4) . . ?
C8 C9 Mg3 164.9(4) . 3_566 ?
C10 C9 Mg3 73.3(3) . 3_566 ?
C10 C9 C8 121.2(5) . . ?
Mg4 C10 Mg3 85.05(16) . 3_566 ?
O5 C10 Mg3 42.0(2) . 3_566 ?
O5 C10 Mg4 43.1(2) . . ?
O5 C10 C9 120.2(5) . . ?
O5 C10 C11 120.7(4) . . ?
C9 C10 Mg3 78.2(3) . 3_566 ?
C9 C10 Mg4 163.3(4) . . ?
C9 C10 C11 119.1(5) . . ?
C11 C10 Mg3 162.7(4) . 3_566 ?
C11 C10 Mg4 77.6(3) . . ?
O6 C11 Mg4 43.1(2) . . ?
O6 C11 C10 116.2(5) . . ?
O6 C11 C12 123.2(5) . . ?
C10 C11 Mg4 73.2(3) . . ?
C12 C11 Mg4 165.8(4) . . ?
C12 C11 C10 120.6(4) . . ?
C11 C12 C14 119.9(4) . . ?
C13 C12 C11 118.0(5) . . ?
C13 C12 C14 122.0(5) . . ?
C8 C13 H13 118.3 . . ?
C12 C13 C8 123.4(5) . . ?
C12 C13 H13 118.3 . . ?
C12 C14 H14 106.4 . . ?
C12 C14 C32 112.9(4) . . ?
C15 C14 C12 110.3(4) . . ?
C15 C14 H14 106.4 . . ?
C15 C14 C32 113.7(5) . . ?
C32 C14 H14 106.4 . . ?
C16 C15 C14 120.8(5) . . ?
C20 C15 C14 121.4(5) . . ?
C20 C15 C16 117.8(5) . . ?
O7 C16 Mg5 42.8(2) . 3_566 ?
O7 C16 C15 123.4(5) . . ?
O7 C16 C17 116.4(4) . . ?
C15 C16 Mg5 165.8(4) . 3_566 ?
C15 C16 C17 120.2(5) . . ?
C17 C16 Mg5 73.8(3) . 3_566 ?
Mg5 C17 Mg6 85.10(15) 3_566 . ?
O8 C17 Mg5 43.0(2) . 3_566 ?
O8 C17 Mg6 42.2(2) . . ?
O8 C17 C16 120.2(5) . . ?
O8 C17 C18 119.9(5) . . ?
C16 C17 Mg5 77.2(3) . 3_566 ?
C16 C17 Mg6 162.0(4) . . ?
C18 C17 Mg5 163.0(4) . 3_566 ?
C18 C17 Mg6 77.9(3) . . ?
C18 C17 C16 119.8(5) . . ?
O9 C18 Mg6 42.9(2) . . ?
O9 C18 C17 115.8(4) . . ?
O9 C18 C19 123.0(5) . . ?
C17 C18 Mg6 73.3(3) . . ?
C19 C18 Mg6 164.5(4) . . ?
C19 C18 C17 121.2(5) . . ?
C18 C19 C21 120.6(5) . . ?
C20 C19 C18 117.2(5) . . ?
C20 C19 C21 122.1(5) . . ?
C15 C20 H20 118.1 . . ?
C19 C20 C15 123.7(5) . . ?
C19 C20 H20 118.1 . . ?
C19 C21 H21 106.7 . . ?
C19 C21 C22 109.5(4) . . ?
C19 C21 C35 113.2(5) . . ?
C22 C21 H21 106.7 . . ?
C35 C21 H21 106.7 . . ?
C35 C21 C22 113.6(4) . . ?
C23 C22 C21 119.4(5) . . ?
C27 C22 C21 122.2(5) . . ?
C27 C22 C23 118.3(5) . . ?
O10 C23 Mg7 42.8(2) . . ?
O10 C23 C22 123.5(5) . . ?
O10 C23 C24 115.9(5) . . ?
C22 C23 Mg7 165.8(4) . . ?
C22 C23 C24 120.6(5) . . ?
C24 C23 Mg7 73.3(3) . . ?
Mg7 C24 Mg8 86.02(16) . . ?
O11 C24 Mg7 43.4(2) . . ?
O11 C24 Mg8 42.7(2) . . ?
O11 C24 C23 121.0(5) . . ?
O11 C24 C25 119.7(5) . . ?
C23 C24 Mg7 77.6(3) . . ?
C23 C24 Mg8 163.6(4) . . ?
C23 C24 C25 119.3(5) . . ?
C25 C24 Mg7 163.1(4) . . ?
C25 C24 Mg8 77.1(3) . . ?
O12 C25 Mg8 41.9(2) . . ?
O12 C25 C24 115.3(5) . . ?
O12 C25 C26 123.8(5) . . ?
C24 C25 Mg8 73.7(3) . . ?
C26 C25 Mg8 165.3(4) . . ?
C26 C25 C24 120.9(5) . . ?
C25 C26 C27 117.6(5) . . ?
C25 C26 C28 120.0(5) . . ?
C27 C26 C28 122.4(5) . . ?
C22 C27 C26 123.3(5) . . ?
C22 C27 H27 118.3 . . ?
C26 C27 H27 118.3 . . ?
C6 C28 C26 110.2(4) . . ?
C6 C28 H28 106.5 . . ?
C6 C28 C38 113.8(4) . . ?
C26 C28 H28 106.5 . . ?
C26 C28 C38 112.9(4) . . ?
C38 C28 H28 106.5 . . ?
C7 C29 H29A 108.6 . . ?
C7 C29 H29B 108.6 . . ?
H29A C29 H29B 107.6 . . ?
C30 C29 C7 114.6(5) . . ?
C30 C29 H29A 108.6 . . ?
C30 C29 H29B 108.6 . . ?
C29 C30 H30A 109.0 . . ?
C29 C30 H30B 109.0 . . ?
C29 C30 C31 113.0(5) . . ?
H30A C30 H30B 107.8 . . ?
C31 C30 H30A 109.0 . . ?
C31 C30 H30B 109.0 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C14 C32 H32A 108.6 . . ?
C14 C32 H32B 108.6 . . ?
H32A C32 H32B 107.5 . . ?
C33 C32 C14 114.9(5) . . ?
C33 C32 H32A 108.6 . . ?
C33 C32 H32B 108.6 . . ?
C32 C33 H33A 109.6 . . ?
C32 C33 H33B 109.6 . . ?
C32 C33 C34 110.2(7) . . ?
H33A C33 H33B 108.1 . . ?
C34 C33 H33A 109.6 . . ?
C34 C33 H33B 109.6 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C21 C35 H35A 109.0 . . ?
C21 C35 H35B 109.0 . . ?
H35A C35 H35B 107.8 . . ?
C36 C35 C21 113.0(5) . . ?
C36 C35 H35A 109.0 . . ?
C36 C35 H35B 109.0 . . ?
C35 C36 H36A 108.3 . . ?
C35 C36 H36B 108.3 . . ?
H36A C36 H36B 107.4 . . ?
C37 C36 C35 116.0(7) . . ?
C37 C36 H36A 108.3 . . ?
C37 C36 H36B 108.3 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C28 C38 H38A 108.4 . . ?
C28 C38 H38B 108.4 . . ?
H38A C38 H38B 107.4 . . ?
C39 C38 C28 115.6(5) . . ?
C39 C38 H38A 108.4 . . ?
C39 C38 H38B 108.4 . . ?
C38 C39 H39A 108.9 . . ?
C38 C39 H39B 108.9 . . ?
C38 C39 C40 113.2(6) . . ?
H39A C39 H39B 107.8 . . ?
C40 C39 H39A 108.9 . . ?
C40 C39 H39B 108.9 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O13 C41 Mg6 42.4(2) . . ?
O13 C41 C42 115.2(5) . . ?
O13 C41 C46 123.1(5) . . ?
C42 C41 Mg6 73.0(3) . . ?
C46 C41 Mg6 165.1(4) . . ?
C46 C41 C42 121.6(5) . . ?
Mg6 C42 Mg9 86.28(17) . . ?
O14 C42 Mg6 42.5(2) . . ?
O14 C42 Mg9 43.8(2) . . ?
O14 C42 C41 120.4(5) . . ?
O14 C42 C43 120.0(5) . . ?
C41 C42 Mg6 77.9(3) . . ?
C41 C42 Mg9 164.1(4) . . ?
C41 C42 C43 119.6(5) . . ?
C43 C42 Mg6 162.4(4) . . ?
C43 C42 Mg9 76.2(3) . . ?
O15 C43 Mg9 42.1(2) . . ?
O15 C43 C42 116.4(5) . . ?
O15 C43 C44 123.9(5) . . ?
C42 C43 Mg9 74.3(3) . . ?
C44 C43 Mg9 166.0(4) . . ?
C44 C43 C42 119.7(5) . . ?
C43 C44 C47 119.5(5) . . ?
C45 C44 C43 118.5(5) . . ?
C45 C44 C47 122.0(5) . . ?
C44 C45 H45 117.7 . . ?
C44 C45 C46 124.7(5) . . ?
C46 C45 H45 117.7 . . ?
C41 C46 C45 116.0(5) . . ?
C41 C46 C68 121.3(5) . . ?
C45 C46 C68 122.7(5) . . ?
C44 C47 H47 106.3 . . ?
C44 C47 C48 109.2(4) . . ?
C44 C47 C69 114.7(4) . . ?
C48 C47 H47 106.3 . . ?
C69 C47 H47 106.3 . . ?
C69 C47 C48 113.4(4) . . ?
C49 C48 C47 120.7(5) . . ?
C49 C48 C53 117.9(5) . . ?
C53 C48 C47 121.3(5) . . ?
O16 C49 Mg10 43.3(2) . . ?
O16 C49 C48 123.7(4) . . ?
O16 C49 C50 115.8(5) . . ?
C48 C49 Mg10 163.9(4) . . ?
C48 C49 C50 120.5(5) . . ?
C50 C49 Mg10 73.1(3) . . ?
Mg10 C50 Mg2 84.29(16) . 3_566 ?
O17 C50 Mg2 42.5(2) . 3_566 ?
O17 C50 Mg10 43.0(2) . . ?
O17 C50 C49 120.1(5) . . ?
O17 C50 C51 119.9(4) . . ?
C49 C50 Mg2 161.9(4) . 3_566 ?
C49 C50 Mg10 77.7(3) . . ?
C51 C50 Mg2 77.4(3) . 3_566 ?
C51 C50 Mg10 160.1(4) . . ?
C51 C50 C49 120.0(5) . . ?
O18 C51 Mg2 42.3(2) . 3_566 ?
O18 C51 C50 115.9(5) . . ?
O18 C51 C52 123.8(5) . . ?
C50 C51 Mg2 73.8(3) . 3_566 ?
C52 C51 Mg2 165.5(4) . 3_566 ?
C52 C51 C50 120.3(5) . . ?
C51 C52 C54 119.3(5) . . ?
C53 C52 C51 118.3(5) . . ?
C53 C52 C54 122.2(5) . . ?
C48 C53 H53 118.5 . . ?
C52 C53 C48 123.0(5) . . ?
C52 C53 H53 118.5 . . ?
C52 C54 H54 106.8 . . ?
C52 C54 C55 110.0(4) . . ?
C52 C54 C72 113.7(4) . . ?
C55 C54 H54 106.8 . . ?
C55 C54 C72 112.3(4) . . ?
C72 C54 H54 106.8 . . ?
C56 C55 C54 118.9(5) . . ?
C56 C55 C60 118.3(5) . . ?
C60 C55 C54 122.8(5) . . ?
O19 C56 Mg3 42.4(2) . . ?
O19 C56 C55 124.5(5) . . ?
O19 C56 C57 115.3(5) . . ?
C55 C56 Mg3 164.1(4) . . ?
C55 C56 C57 120.2(5) . . ?
C57 C56 Mg3 73.5(3) . . ?
Mg3 C57 Mg11 84.87(16) . . ?
O20 C57 Mg3 42.8(2) . . ?
O20 C57 Mg11 42.4(2) . . ?
O20 C57 C56 119.9(5) . . ?
O20 C57 C58 120.9(5) . . ?
C56 C57 Mg3 77.3(3) . . ?
C56 C57 Mg11 162.2(4) . . ?
C58 C57 Mg3 163.1(4) . . ?
C58 C57 Mg11 78.6(3) . . ?
C58 C57 C56 119.2(5) . . ?
O21 C58 Mg11 42.5(2) . . ?
O21 C58 C57 115.0(5) . . ?
C57 C58 Mg11 72.7(3) . . ?
C59 C58 Mg11 165.1(4) . . ?
C59 C58 O21 123.6(5) . . ?
C59 C58 C57 121.5(5) . . ?
C58 C59 C60 117.1(5) . . ?
C58 C59 C61 120.7(5) . . ?
C60 C59 C61 122.1(5) . . ?
C55 C60 C59 123.6(5) . . ?
C55 C60 H60 118.2 . . ?
C59 C60 H60 118.2 . . ?
C59 C61 H61 106.9 . . ?
C59 C61 C62 108.3(4) . . ?
C62 C61 H61 106.9 . . ?
C75 C61 C59 114.1(4) . . ?
C75 C61 H61 106.9 . . ?
C75 C61 C62 113.4(5) . . ?
C63 C62 C61 119.5(5) . . ?
C67 C62 C61 122.4(5) . . ?
C67 C62 C63 118.1(5) . . ?
O22 C63 Mg12 42.4(2) . . ?
O22 C63 C62 123.9(5) . . ?
O22 C63 C64 116.5(5) . . ?
C62 C63 Mg12 165.7(4) . . ?
C62 C63 C64 119.6(5) . . ?
C64 C63 Mg12 74.4(3) . . ?
Mg7 C64 Mg12 85.38(16) . . ?
O23 C64 Mg7 43.0(2) . . ?
O23 C64 Mg12 42.5(2) . . ?
O23 C64 C63 119.1(5) . . ?
O23 C64 C65 120.2(5) . . ?
C63 C64 Mg7 161.8(4) . . ?
C63 C64 Mg12 76.6(3) . . ?
C65 C64 Mg7 77.3(3) . . ?
C65 C64 Mg12 162.6(4) . . ?
C65 C64 C63 120.8(5) . . ?
O24 C65 Mg7 43.1(2) . . ?
O24 C65 C64 116.4(5) . . ?
O24 C65 C66 123.9(5) . . ?
C64 C65 Mg7 73.7(3) . . ?
C66 C65 Mg7 165.8(4) . . ?
C66 C65 C64 119.6(5) . . ?
C65 C66 C67 118.2(5) . . ?
C65 C66 C68 119.4(5) . . ?
C67 C66 C68 122.4(5) . . ?
C62 C67 C66 123.7(5) . . ?
C62 C67 H67 118.2 . . ?
C66 C67 H67 118.2 . . ?
C46 C68 C66 110.9(4) . . ?
C46 C68 H68 106.2 . . ?
C46 C68 C78 113.4(4) . . ?
C66 C68 H68 106.2 . . ?
C78 C68 C66 113.4(5) . . ?
C78 C68 H68 106.2 . . ?
C47 C69 H69A 108.8 . . ?
C47 C69 H69B 108.8 . . ?
H69A C69 H69B 107.7 . . ?
C70 C69 C47 114.0(5) . . ?
C70 C69 H69A 108.8 . . ?
C70 C69 H69B 108.8 . . ?
C69 C70 H70A 108.9 . . ?
C69 C70 H70B 108.9 . . ?
H70A C70 H70B 107.7 . . ?
C71 C70 C69 113.5(6) . . ?
C71 C70 H70A 108.9 . . ?
C71 C70 H70B 108.9 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C54 C72 H72A 108.8 . . ?
C54 C72 H72B 108.8 . . ?
H72A C72 H72B 107.7 . . ?
C73 C72 C54 113.8(5) . . ?
C73 C72 H72A 108.8 . . ?
C73 C72 H72B 108.8 . . ?
C72 C73 H73A 109.1 . . ?
C72 C73 H73B 109.1 . . ?
H73A C73 H73B 107.8 . . ?
C74 C73 C72 112.5(7) . . ?
C74 C73 H73A 109.1 . . ?
C74 C73 H73B 109.1 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C61 C75 H75A 108.5 . . ?
C61 C75 H75B 108.5 . . ?
H75A C75 H75B 107.5 . . ?
C76 C75 C61 114.9(5) . . ?
C76 C75 H75A 108.5 . . ?
C76 C75 H75B 108.5 . . ?
C75 C76 H76A 109.1 . . ?
C75 C76 H76B 109.1 . . ?
C75 C76 C77 112.7(5) . . ?
H76A C76 H76B 107.8 . . ?
C77 C76 H76A 109.1 . . ?
C77 C76 H76B 109.1 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C68 C78 H78A 109.1 . . ?
C68 C78 H78B 109.1 . . ?
H78A C78 H78B 107.8 . . ?
C79 C78 C68 112.6(5) . . ?
C79 C78 H78A 109.1 . . ?
C79 C78 H78B 109.1 . . ?
C78 C79 H79A 108.7 . . ?
C78 C79 H79B 108.7 . . ?
H79A C79 H79B 107.6 . . ?
C80 C79 C78 114.2(6) . . ?
C80 C79 H79A 108.7 . . ?
C80 C79 H79B 108.7 . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
O25 C81 Mg12 42.4(2) . . ?
O25 C81 C86 122.7(5) . . ?
C82 C81 Mg12 73.4(3) . . ?
C82 C81 O25 115.7(5) . . ?
C82 C81 C86 121.5(5) . . ?
C86 C81 Mg12 164.5(4) . . ?
Mg12 C82 Mg8 85.00(16) . . ?
O26 C82 Mg8 42.5(2) . . ?
O26 C82 Mg12 42.9(2) . . ?
O26 C82 C81 120.9(5) . . ?
O26 C82 C83 119.4(5) . . ?
C81 C82 Mg8 162.8(4) . . ?
C81 C82 Mg12 78.1(3) . . ?
C81 C82 C83 119.8(5) . . ?
C83 C82 Mg8 77.1(3) . . ?
C83 C82 Mg12 162.1(4) . . ?
O27 C83 Mg8 42.5(2) . . ?
O27 C83 C82 115.7(5) . . ?
O27 C83 C84 124.0(5) . . ?
C82 C83 Mg8 73.7(3) . . ?
C84 C83 Mg8 165.1(4) . . ?
C84 C83 C82 120.2(5) . . ?
C83 C84 C85 118.3(5) . . ?
C83 C84 C87 120.0(5) . . ?
C85 C84 C87 121.8(5) . . ?
C84 C85 H85 118.4 . . ?
C84 C85 C86 123.1(5) . . ?
C86 C85 H85 118.4 . . ?
C81 C86 C85 117.1(5) . . ?
C81 C86 C108 120.9(5) . . ?
C85 C86 C108 122.0(5) . . ?
C84 C87 H87 106.4 . . ?
C84 C87 C109 113.5(4) . . ?
C88 C87 C84 110.5(4) . . ?
C88 C87 H87 106.4 . . ?
C88 C87 C109 113.1(4) . . ?
C109 C87 H87 106.4 . . ?
C89 C88 C87 120.8(5) . . ?
C93 C88 C87 122.6(5) . . ?
C93 C88 C89 116.5(5) . . ?
O28 C89 Mg1 42.5(2) . . ?
O28 C89 C88 122.6(5) . . ?
O28 C89 C90 116.1(4) . . ?
C88 C89 Mg1 165.1(4) . . ?
C90 C89 Mg1 73.6(3) . . ?
C90 C89 C88 121.3(5) . . ?
Mg1 C90 Mg10 84.44(15) . 3_566 ?
O29 C90 Mg1 43.1(2) . . ?
O29 C90 Mg10 41.5(2) . 3_566 ?
O29 C90 C89 120.8(4) . . ?
O29 C90 C91 119.5(5) . . ?
C89 C90 Mg1 77.7(3) . . ?
C89 C90 Mg10 162.1(4) . 3_566 ?
C89 C90 C91 119.7(5) . . ?
C91 C90 Mg1 162.1(4) . . ?
C91 C90 Mg10 78.1(3) . 3_566 ?
O30 C91 Mg10 42.6(2) . 3_566 ?
O30 C91 C90 115.9(4) . . ?
O30 C91 C92 123.2(4) . . ?
C90 C91 Mg10 73.3(3) . 3_566 ?
C92 C91 Mg10 165.8(4) . 3_566 ?
C92 C91 C90 120.9(5) . . ?
C91 C92 C94 120.1(5) . . ?
C93 C92 C91 117.4(5) . . ?
C93 C92 C94 122.4(5) . . ?
C88 C93 H93 117.9 . . ?
C92 C93 C88 124.1(5) . . ?
C92 C93 H93 117.9 . . ?
C92 C94 H94 106.7 . . ?
C92 C94 C112 113.2(5) . . ?
C100 C94 C92 109.6(4) . . ?
C100 C94 H94 106.7 . . ?
C100 C94 C112 113.5(4) . . ?
C112 C94 H94 106.7 . . ?
O31 C95 Mg9 42.8(2) . 3_566 ?
O31 C95 C96 116.9(5) . . ?
O31 C95 C100 123.2(5) . . ?
C96 C95 Mg9 74.3(3) . 3_566 ?
C100 C95 Mg9 165.3(4) . 3_566 ?
C100 C95 C96 119.9(5) . . ?
Mg9 C96 Mg5 86.77(16) 3_566 . ?
O32 C96 Mg5 42.9(2) . . ?
O32 C96 Mg9 43.9(2) . 3_566 ?
O32 C96 C95 120.2(5) . . ?
O32 C96 C97 118.7(5) . . ?
C95 C96 Mg5 163.1(4) . . ?
C95 C96 Mg9 76.4(3) . 3_566 ?
C97 C96 Mg5 75.8(3) . . ?
C97 C96 Mg9 162.6(4) . 3_566 ?
C97 C96 C95 121.1(5) . . ?
O33 C97 Mg5 41.9(2) . . ?
O33 C97 C96 117.0(5) . . ?
O33 C97 C98 123.4(5) . . ?
C96 C97 Mg5 75.4(3) . . ?
C98 C97 Mg5 164.6(4) . . ?
C98 C97 C96 119.6(5) . . ?
C97 C98 C101 119.7(4) . . ?
C99 C98 C97 117.7(5) . . ?
C99 C98 C101 122.6(5) . . ?
C98 C99 H99 117.7 . . ?
C98 C99 C100 124.5(5) . . ?
C100 C99 H99 117.7 . . ?
C95 C100 C94 120.0(5) . . ?
C95 C100 C99 117.1(5) . . ?
C99 C100 C94 122.9(5) . . ?
C98 C101 H101 106.2 . . ?
C102 C101 C98 109.8(4) . . ?
C102 C101 H101 106.2 . . ?
C115 C101 C98 113.7(4) . . ?
C115 C101 H101 106.2 . . ?
C115 C101 C102 114.1(4) . . ?
C103 C102 C101 119.8(5) . . ?
C107 C102 C101 122.2(5) . . ?
C107 C102 C103 117.9(5) . . ?
O34 C103 Mg4 42.2(2) . 3_566 ?
O34 C103 C102 123.8(5) . . ?
O34 C103 C104 115.2(4) . . ?
C102 C103 Mg4 165.6(4) . 3_566 ?
C102 C103 C104 121.0(5) . . ?
C104 C103 Mg4 73.2(3) . 3_566 ?
Mg11 C104 Mg4 85.55(15) . 3_566 ?
O35 C104 Mg4 42.5(2) . 3_566 ?
O35 C104 Mg11 43.1(2) . . ?
O35 C104 C103 120.6(5) . . ?
O35 C104 C105 120.2(5) . . ?
C103 C104 Mg4 78.0(3) . 3_566 ?
C103 C104 Mg11 163.5(4) . . ?
C103 C104 C105 119.2(5) . . ?
C105 C104 Mg4 162.7(4) . 3_566 ?
C105 C104 Mg11 77.2(3) . . ?
O36 C105 Mg11 42.5(2) . . ?
O36 C105 C104 115.7(5) . . ?
O36 C105 C106 123.6(5) . . ?
C104 C105 Mg11 73.6(3) . . ?
C106 C105 Mg11 165.2(4) . . ?
C106 C105 C104 120.6(5) . . ?
C105 C106 C107 117.8(5) . . ?
C105 C106 C108 120.2(5) . . ?
C107 C106 C108 121.9(5) . . ?
C102 C107 C106 123.3(5) . . ?
C102 C107 H107 118.3 . . ?
C106 C107 H107 118.3 . . ?
C86 C108 C106 109.3(4) . . ?
C86 C108 H108 106.4 . . ?
C106 C108 H108 106.4 . . ?
C118 C108 C86 113.8(4) . . ?
C118 C108 C106 114.1(5) . . ?
C118 C108 H108 106.4 . . ?
C87 C109 H10A 108.5 . . ?
C87 C109 H10B 108.5 . . ?
H10A C109 H10B 107.5 . . ?
C110 C109 C87 115.2(6) . . ?
C110 C109 H10A 108.5 . . ?
C110 C109 H10B 108.5 . . ?
C109 C110 H11A 109.2 . . ?
C109 C110 H11B 109.2 . . ?
C109 C110 C111 112.2(8) . . ?
H11A C110 H11B 107.9 . . ?
C111 C110 H11A 109.2 . . ?
C111 C110 H11B 109.2 . . ?
C110 C111 H11C 109.5 . . ?
C110 C111 H11D 109.5 . . ?
C110 C111 H11E 109.5 . . ?
H11C C111 H11D 109.5 . . ?
H11C C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
C94 C112 H11F 108.7 . . ?
C94 C112 H11G 108.7 . . ?
H11F C112 H11G 107.6 . . ?
C113 C112 C94 114.2(6) . . ?
C113 C112 H11F 108.7 . . ?
C113 C112 H11G 108.7 . . ?
C112 C113 H11H 108.2 . . ?
C112 C113 H11I 108.2 . . ?
H11H C113 H11I 107.3 . . ?
C114 C113 C112 116.5(9) . . ?
C114 C113 H11H 108.2 . . ?
C114 C113 H11I 108.2 . . ?
C113 C114 H11J 109.5 . . ?
C113 C114 H11K 109.5 . . ?
C113 C114 H11L 109.5 . . ?
H11J C114 H11K 109.5 . . ?
H11J C114 H11L 109.5 . . ?
H11K C114 H11L 109.5 . . ?
C101 C115 H11M 108.7 . . ?
C101 C115 H11N 108.7 . . ?
C101 C115 C116 114.2(5) . . ?
H11M C115 H11N 107.6 . . ?
C116 C115 H11M 108.7 . . ?
C116 C115 H11N 108.7 . . ?
C115 C116 H11O 109.1 . . ?
C115 C116 H11P 109.1 . . ?
H11O C116 H11P 107.8 . . ?
C117 C116 C115 112.5(6) . . ?
C117 C116 H11O 109.1 . . ?
C117 C116 H11P 109.1 . . ?
C116 C117 H11Q 109.5 . . ?
C116 C117 H11R 109.5 . . ?
C116 C117 H11S 109.5 . . ?
H11Q C117 H11R 109.5 . . ?
H11Q C117 H11S 109.5 . . ?
H11R C117 H11S 109.5 . . ?
C108 C118 H11T 108.7 . . ?
C108 C118 H11U 108.7 . . ?
C108 C118 C119 114.0(5) . . ?
H11T C118 H11U 107.6 . . ?
C119 C118 H11T 108.7 . . ?
C119 C118 H11U 108.7 . . ?
C118 C119 H11V 109.2 . . ?
C118 C119 H11W 109.2 . . ?
H11V C119 H11W 107.9 . . ?
C120 C119 C118 111.8(7) . . ?
C120 C119 H11V 109.2 . . ?
C120 C119 H11W 109.2 . . ?
C119 C120 H12A 109.5 . . ?
C119 C120 H12B 109.5 . . ?
C119 C120 H12C 109.5 . . ?
H12A C120 H12B 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
O37 C121 Mg13 43.0(2) . . ?
O37 C121 C122 117.1(5) . . ?
O37 C121 C126 122.5(5) . . ?
C122 C121 Mg13 74.2(3) . . ?
C122 C121 C126 120.4(6) . . ?
C126 C121 Mg13 165.0(4) . . ?
Mg13 C122 Mg14 84.66(16) . 3_667 ?
O38 C122 Mg13 43.1(3) . . ?
O38 C122 Mg14 41.6(2) . 3_667 ?
O38 C122 C121 120.3(5) . . ?
O38 C122 C123 119.2(5) . . ?
C121 C122 Mg13 77.3(4) . . ?
C121 C122 Mg14 161.8(4) . 3_667 ?
C121 C122 C123 120.5(5) . . ?
C123 C122 Mg13 162.3(4) . . ?
C123 C122 Mg14 77.6(3) . 3_667 ?
O39 C123 Mg14 42.4(2) . 3_667 ?
O39 C123 C122 116.2(5) . . ?
O39 C123 C124 123.6(5) . . ?
C122 C123 Mg14 73.8(3) . 3_667 ?
C124 C123 Mg14 165.9(5) . 3_667 ?
C124 C123 C122 120.2(5) . . ?
C123 C124 C127 119.7(5) . . ?
C125 C124 C123 117.6(6) . . ?
C125 C124 C127 122.6(5) . . ?
C124 C125 H125 118.0 . . ?
C124 C125 C126 124.0(5) . . ?
C126 C125 H125 118.0 . . ?
C121 C126 C125 117.1(5) . . ?
C121 C126 C148 120.1(6) . . ?
C125 C126 C148 122.7(5) . . ?
C124 C127 H127 106.2 . . ?
C124 C127 C128 110.6(4) . . ?
C124 C127 C149 112.5(6) . . ?
C128 C127 H127 106.2 . . ?
C128 C127 C149 114.6(5) . . ?
C149 C127 H127 106.2 . . ?
C129 C128 C127 119.9(5) . . ?
C133 C128 C127 123.0(5) . . ?
C133 C128 C129 117.1(5) . . ?
O40 C129 Mg15 42.4(3) . 3_667 ?
O40 C129 C128 123.7(5) . . ?
O40 C129 C130 115.5(5) . . ?
C128 C129 Mg15 165.1(4) . 3_667 ?
C128 C129 C130 120.8(5) . . ?
C130 C129 Mg15 73.3(4) . 3_667 ?
Mg15 C130 Mg16 84.87(19) 3_667 . ?
O41 C130 Mg15 42.5(3) . 3_667 ?
O41 C130 Mg16 42.5(3) . . ?
O41 C130 C129 120.1(5) . . ?
O41 C130 C131 120.1(5) . . ?
C129 C130 Mg15 77.6(4) . 3_667 ?
C129 C130 Mg16 162.5(5) . . ?
C131 C130 Mg15 162.6(5) . 3_667 ?
C131 C130 Mg16 77.7(4) . . ?
C131 C130 C129 119.8(6) . . ?
O42 C131 Mg16 42.6(3) . . ?
O42 C131 C130 116.0(5) . . ?
O42 C131 C132 123.0(5) . . ?
C130 C131 Mg16 73.6(4) . . ?
C130 C131 C132 120.9(6) . . ?
C132 C131 Mg16 164.5(4) . . ?
C131 C132 C133 117.3(6) . . ?
C131 C132 C134 120.0(5) . . ?
C133 C132 C134 122.6(6) . . ?
C128 C133 C132 123.9(6) . . ?
C128 C133 H133 118.1 . . ?
C132 C133 H133 118.1 . . ?
C132 C134 H134 106.5 . . ?
C132 C134 C135 109.5(5) . . ?
C132 C134 C152 113.2(5) . . ?
C135 C134 H134 106.5 . . ?
C135 C134 C152 114.1(6) . . ?
C152 C134 H134 106.5 . . ?
C136 C135 C134 120.0(6) . . ?
C140 C135 C134 122.2(5) . . ?
C140 C135 C136 117.7(6) . . ?
O43 C136 Mg17 42.9(3) . . ?
O43 C136 C135 123.2(6) . . ?
O43 C136 C137 116.4(5) . . ?
C135 C136 Mg17 165.8(5) . . ?
C137 C136 Mg17 73.6(4) . . ?
C137 C136 C135 120.4(6) . . ?
Mg17 C137 Mg18 84.14(17) . . ?
O44 C137 Mg17 42.5(3) . . ?
O44 C137 Mg18 41.9(3) . . ?
O44 C137 C136 120.3(6) . . ?
O44 C137 C138 119.6(6) . . ?
C136 C137 Mg17 77.8(4) . . ?
C136 C137 Mg18 161.8(5) . . ?
C138 C137 Mg17 162.0(5) . . ?
C138 C137 Mg18 77.8(4) . . ?
C138 C137 C136 120.1(5) . . ?
O45 C138 Mg18 42.5(2) . . ?
O45 C138 C137 116.0(5) . . ?
O45 C138 C139 123.3(6) . . ?
C137 C138 Mg18 73.7(3) . . ?
C137 C138 C139 120.8(6) . . ?
C139 C138 Mg18 165.0(5) . . ?
C138 C139 C141 119.1(6) . . ?
C140 C139 C138 117.4(6) . . ?
C140 C139 C141 123.5(5) . . ?
C135 C140 C139 123.5(5) . . ?
C135 C140 H140 118.2 . . ?
C139 C140 H140 118.2 . . ?
C139 C141 H141 106.7 . . ?
C139 C141 C142 110.4(5) . . ?
C139 C141 C155 113.0(6) . . ?
C142 C141 H141 106.7 . . ?
C155 C141 H141 106.7 . . ?
C155 C141 C142 112.9(5) . . ?
C143 C142 C141 119.0(5) . . ?
C143 C142 C147 118.5(5) . . ?
C147 C142 C141 122.3(5) . . ?
O46 C143 Mg19 42.5(3) . . ?
O46 C143 C142 124.6(5) . . ?
O46 C143 C144 115.6(5) . . ?
C142 C143 Mg19 166.3(4) . . ?
C142 C143 C144 119.8(5) . . ?
C144 C143 Mg19 73.2(4) . . ?
Mg19 C144 Mg24 85.30(19) . . ?
O47 C144 Mg19 42.8(3) . . ?
O47 C144 Mg24 42.8(3) . . ?
O47 C144 C143 120.2(5) . . ?
O47 C144 C145 119.4(5) . . ?
C143 C144 Mg19 77.5(3) . . ?
C143 C144 Mg24 162.6(4) . . ?
C145 C144 Mg19 162.0(5) . . ?
C145 C144 Mg24 76.7(4) . . ?
C145 C144 C143 120.4(6) . . ?
O48 C145 Mg24 42.3(3) . . ?
O48 C145 C144 116.1(5) . . ?
O48 C145 C146 124.6(5) . . ?
C144 C145 Mg24 74.0(4) . . ?
C146 C145 Mg24 165.9(4) . . ?
C146 C145 C144 119.4(5) . . ?
C145 C146 C148 118.8(5) . . ?
C147 C146 C145 118.6(5) . . ?
C147 C146 C148 122.6(5) . . ?
C142 C147 H147 118.4 . . ?
C146 C147 C142 123.2(6) . . ?
C146 C147 H147 118.4 . . ?
C126 C148 C146 110.8(4) . . ?
C126 C148 H148 106.6 . . ?
C126 C148 C158 113.8(5) . . ?
C146 C148 H148 106.6 . . ?
C146 C148 C158 111.9(5) . . ?
C158 C148 H148 106.6 . . ?
C127 C149 H14A 108.4 . . ?
C127 C149 H14B 108.4 . . ?
H14A C149 H14B 107.5 . . ?
C150 C149 C127 115.6(7) . . ?
C150 C149 H14A 108.4 . . ?
C150 C149 H14B 108.4 . . ?
C149 C150 H15A 109.9 . . ?
C149 C150 H15B 109.9 . . ?
C149 C150 C151 109.0(9) . . ?
H15A C150 H15B 108.3 . . ?
C151 C150 H15A 109.9 . . ?
C151 C150 H15B 109.9 . . ?
C150 C151 H15C 109.5 . . ?
C150 C151 H15D 109.5 . . ?
C150 C151 H15E 109.5 . . ?
H15C C151 H15D 109.5 . . ?
H15C C151 H15E 109.5 . . ?
H15D C151 H15E 109.5 . . ?
C134 C152 H15F 108.7 . . ?
C134 C152 H15G 108.7 . . ?
H15F C152 H15G 107.6 . . ?
C153 C152 C134 114.2(6) . . ?
C153 C152 H15F 108.7 . . ?
C153 C152 H15G 108.7 . . ?
C152 C153 H15H 108.8 . . ?
C152 C153 H15I 108.8 . . ?
C152 C153 C154 113.8(7) . . ?
H15H C153 H15I 107.7 . . ?
C154 C153 H15H 108.8 . . ?
C154 C153 H15I 108.8 . . ?
C153 C154 H15J 109.5 . . ?
C153 C154 H15K 109.5 . . ?
C153 C154 H15L 109.5 . . ?
H15J C154 H15K 109.5 . . ?
H15J C154 H15L 109.5 . . ?
H15K C154 H15L 109.5 . . ?
C141 C155 H15M 108.7 . . ?
C141 C155 H15N 108.7 . . ?
H15M C155 H15N 107.6 . . ?
C156 C155 C141 114.4(6) . . ?
C156 C155 H15M 108.7 . . ?
C156 C155 H15N 108.7 . . ?
C155 C156 H15O 109.0 . . ?
C155 C156 H15P 109.0 . . ?
C155 C156 C157 113.0(8) . . ?
H15O C156 H15P 107.8 . . ?
C157 C156 H15O 109.0 . . ?
C157 C156 H15P 109.0 . . ?
C156 C157 H15Q 109.5 . . ?
C156 C157 H15R 109.5 . . ?
C156 C157 H15S 109.5 . . ?
H15Q C157 H15R 109.5 . . ?
H15Q C157 H15S 109.5 . . ?
H15R C157 H15S 109.5 . . ?
C148 C158 H15T 109.0 . . ?
C148 C158 H15U 109.0 . . ?
H15T C158 H15U 107.8 . . ?
C159 C158 C148 113.1(6) . . ?
C159 C158 H15T 109.0 . . ?
C159 C158 H15U 109.0 . . ?
C158 C159 H15V 108.4 . . ?
C158 C159 H15W 108.4 . . ?
H15V C159 H15W 107.5 . . ?
C160 C159 C158 115.3(9) . . ?
C160 C159 H15V 108.4 . . ?
C160 C159 H15W 108.4 . . ?
C159 C160 H16A 109.5 . . ?
C159 C160 H16B 109.5 . . ?
C159 C160 H16C 109.5 . . ?
H16A C160 H16B 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
O49 C161 Mg19 42.7(2) . . ?
O49 C161 C162 116.1(5) . . ?
O49 C161 C166 123.6(5) . . ?
C162 C161 Mg19 73.7(3) . . ?
C166 C161 Mg19 165.0(5) . . ?
C166 C161 C162 120.3(6) . . ?
Mg19 C162 Mg20 84.69(17) . . ?
O50 C162 Mg19 42.8(3) . . ?
O50 C162 Mg20 42.3(3) . . ?
O50 C162 C161 119.9(6) . . ?
O50 C162 C163 120.0(5) . . ?
C161 C162 Mg19 77.3(4) . . ?
C161 C162 Mg20 161.9(4) . . ?
C161 C162 C163 120.1(5) . . ?
C163 C162 Mg19 162.3(4) . . ?
C163 C162 Mg20 77.8(3) . . ?
O51 C163 Mg20 42.4(3) . . ?
O51 C163 C162 115.5(5) . . ?
O51 C163 C164 124.4(6) . . ?
C162 C163 Mg20 73.3(3) . . ?
C164 C163 Mg20 165.8(5) . . ?
C164 C163 C162 120.2(6) . . ?
C163 C164 C167 119.3(6) . . ?
C165 C164 C163 117.6(6) . . ?
C165 C164 C167 123.1(5) . . ?
C164 C165 H165 117.9 . . ?
C166 C165 C164 124.2(5) . . ?
C166 C165 H165 117.9 . . ?
C161 C166 C188 119.3(6) . . ?
C165 C166 C161 117.5(5) . . ?
C165 C166 C188 123.1(5) . . ?
C164 C167 H167 106.8 . . ?
C164 C167 C168 110.2(5) . . ?
C164 C167 C189 113.5(5) . . ?
C168 C167 H167 106.8 . . ?
C168 C167 C189 112.4(5) . . ?
C189 C167 H167 106.8 . . ?
C169 C168 C167 120.4(5) . . ?
C173 C168 C167 122.0(5) . . ?
C173 C168 C169 117.5(6) . . ?
O52 C169 Mg21 42.8(3) . . ?
O52 C169 C168 123.0(5) . . ?
O52 C169 C170 116.1(5) . . ?
C168 C169 Mg21 165.5(4) . . ?
C170 C169 Mg21 73.5(4) . . ?
C170 C169 C168 120.8(5) . . ?
Mg21 C170 Mg15 84.89(18) . . ?
O53 C170 Mg15 42.2(3) . . ?
O53 C170 Mg21 42.8(3) . . ?
O53 C170 C169 120.6(5) . . ?
O53 C170 C171 119.2(5) . . ?
C169 C170 Mg15 162.8(4) . . ?
C169 C170 Mg21 77.9(4) . . ?
C169 C170 C171 120.2(6) . . ?
C171 C170 Mg15 77.1(4) . . ?
C171 C170 Mg21 162.0(5) . . ?
O54 C171 Mg15 42.4(3) . . ?
O54 C171 C170 116.1(5) . . ?
O54 C171 C172 124.1(5) . . ?
C170 C171 Mg15 73.8(4) . . ?
C172 C171 Mg15 166.0(4) . . ?
C172 C171 C170 119.8(6) . . ?
C171 C172 C174 119.3(5) . . ?
C173 C172 C171 118.3(5) . . ?
C173 C172 C174 122.2(5) . . ?
C168 C173 H173 118.3 . . ?
C172 C173 C168 123.4(6) . . ?
C172 C173 H173 118.3 . . ?
C172 C174 H174 106.2 . . ?
C172 C174 C192 112.1(5) . . ?
C175 C174 C172 110.2(4) . . ?
C175 C174 H174 106.2 . . ?
C175 C174 C192 115.3(5) . . ?
C192 C174 H174 106.2 . . ?
C176 C175 C174 120.1(5) . . ?
C176 C175 C180 116.1(5) . . ?
C180 C175 C174 123.7(5) . . ?
O55 C176 Mg14 42.7(2) . . ?
C175 C176 Mg14 162.8(4) . . ?
C175 C176 O55 122.3(5) . . ?
C177 C176 Mg14 73.0(3) . . ?
C177 C176 O55 115.1(5) . . ?
C177 C176 C175 122.6(5) . . ?
Mg14 C177 Mg22 84.47(16) . . ?
O56 C177 Mg14 42.6(2) . . ?
O56 C177 Mg22 42.7(2) . . ?
O56 C177 C176 120.6(5) . . ?
O56 C177 C178 120.4(5) . . ?
C176 C177 Mg14 78.4(3) . . ?
C176 C177 Mg22 162.7(4) . . ?
C176 C177 C178 119.0(5) . . ?
C178 C177 Mg14 161.6(4) . . ?
C178 C177 Mg22 77.8(3) . . ?
O57 C178 Mg22 42.7(2) . . ?
O57 C178 C177 116.0(5) . . ?
O57 C178 C179 123.3(5) . . ?
C177 C178 Mg22 73.4(3) . . ?
C177 C178 C179 120.7(5) . . ?
C179 C178 Mg22 165.2(4) . . ?
C178 C179 C181 119.7(5) . . ?
C180 C179 C178 117.4(5) . . ?
C180 C179 C181 122.9(5) . . ?
C175 C180 H180 118.0 . . ?
C179 C180 C175 124.1(5) . . ?
C179 C180 H180 118.0 . . ?
C179 C181 H181 106.1 . . ?
C179 C181 C182 111.1(4) . . ?
C179 C181 C195 114.0(5) . . ?
C182 C181 H181 106.1 . . ?
C182 C181 C195 112.7(4) . . ?
C195 C181 H181 106.1 . . ?
C183 C182 C181 120.4(5) . . ?
C183 C182 C187 117.2(5) . . ?
C187 C182 C181 122.2(5) . . ?
O58 C183 Mg23 42.6(2) . . ?
O58 C183 C182 123.2(5) . . ?
O58 C183 C184 115.6(5) . . ?
C182 C183 Mg23 165.1(4) . . ?
C182 C183 C184 121.2(5) . . ?
C184 C183 Mg23 73.3(3) . . ?
Mg23 C184 Mg18 85.40(18) . . ?
O59 C184 Mg18 43.0(2) . . ?
O59 C184 Mg23 42.4(2) . . ?
O59 C184 C183 120.0(5) . . ?
O59 C184 C185 120.3(5) . . ?
C183 C184 Mg18 163.0(4) . . ?
C183 C184 Mg23 77.6(3) . . ?
C185 C184 Mg18 77.2(3) . . ?
C185 C184 Mg23 162.6(4) . . ?
C185 C184 C183 119.7(5) . . ?
O60 C185 Mg18 42.7(3) . . ?
O60 C185 C184 116.5(5) . . ?
O60 C185 C186 122.9(5) . . ?
C184 C185 Mg18 73.9(3) . . ?
C184 C185 C186 120.6(5) . . ?
C186 C185 Mg18 165.2(4) . . ?
C185 C186 C188 119.3(5) . . ?
C187 C186 C185 117.8(5) . . ?
C187 C186 C188 122.7(5) . . ?
C182 C187 H187 118.3 . . ?
C186 C187 C182 123.3(5) . . ?
C186 C187 H187 118.3 . . ?
C166 C188 C186 109.9(4) . . ?
C166 C188 H188 106.2 . . ?
C166 C188 C198 114.4(5) . . ?
C186 C188 H188 106.2 . . ?
C186 C188 C198 113.2(5) . . ?
C198 C188 H188 106.2 . . ?
C167 C189 H18A 108.8 . . ?
C167 C189 H18B 108.8 . . ?
H18A C189 H18B 107.7 . . ?
C190 C189 C167 113.6(6) . . ?
C190 C189 H18A 108.8 . . ?
C190 C189 H18B 108.8 . . ?
C189 C190 H19A 109.0 . . ?
C189 C190 H19B 109.0 . . ?
C189 C190 C191 113.1(9) . . ?
H19A C190 H19B 107.8 . . ?
C191 C190 H19A 109.0 . . ?
C191 C190 H19B 109.0 . . ?
C190 C191 H19C 109.5 . . ?
C190 C191 H19D 109.5 . . ?
C190 C191 H19E 109.5 . . ?
H19C C191 H19D 109.5 . . ?
H19C C191 H19E 109.5 . . ?
H19D C191 H19E 109.5 . . ?
C174 C192 H19F 108.9 . . ?
C174 C192 H19G 108.9 . . ?
H19F C192 H19G 107.7 . . ?
C193 C192 C174 113.2(6) . . ?
C193 C192 H19F 108.9 . . ?
C193 C192 H19G 108.9 . . ?
C192 C193 H19H 108.7 . . ?
C192 C193 H19I 108.7 . . ?
C192 C193 C194 114.4(10) . . ?
H19H C193 H19I 107.6 . . ?
C194 C193 H19H 108.7 . . ?
C194 C193 H19I 108.7 . . ?
C193 C194 H19J 109.5 . . ?
C193 C194 H19K 109.5 . . ?
C193 C194 H19L 109.5 . . ?
H19J C194 H19K 109.5 . . ?
H19J C194 H19L 109.5 . . ?
H19K C194 H19L 109.5 . . ?
C181 C195 H19M 108.6 . . ?
C181 C195 H19N 108.6 . . ?
H19M C195 H19N 107.6 . . ?
C196 C195 C181 114.7(5) . . ?
C196 C195 H19M 108.6 . . ?
C196 C195 H19N 108.6 . . ?
C195 C196 H19O 108.8 . . ?
C195 C196 H19P 108.8 . . ?
H19O C196 H19P 107.7 . . ?
C197 C196 C195 113.8(7) . . ?
C197 C196 H19O 108.8 . . ?
C197 C196 H19P 108.8 . . ?
C196 C197 H19Q 109.5 . . ?
C196 C197 H19R 109.5 . . ?
C196 C197 H19S 109.5 . . ?
H19Q C197 H19R 109.5 . . ?
H19Q C197 H19S 109.5 . . ?
H19R C197 H19S 109.5 . . ?
C188 C198 H19T 108.7 . . ?
C188 C198 H19U 108.7 . . ?
H19T C198 H19U 107.6 . . ?
C199 C198 C188 114.4(6) . . ?
C199 C198 H19T 108.7 . . ?
C199 C198 H19U 108.7 . . ?
C198 C199 H19V 108.8 . . ?
C198 C199 H19W 108.8 . . ?
C198 C199 C200 113.8(7) . . ?
H19V C199 H19W 107.7 . . ?
C200 C199 H19V 108.8 . . ?
C200 C199 H19W 108.8 . . ?
C199 C200 H20A 109.5 . . ?
C199 C200 H20B 109.5 . . ?
C199 C200 H20C 109.5 . . ?
H20A C200 H20B 109.5 . . ?
H20A C200 H20C 109.5 . . ?
H20B C200 H20C 109.5 . . ?
O61 C201 Mg22 42.9(2) . . ?
O61 C201 C202 115.8(5) . . ?
C202 C201 Mg22 72.9(3) . . ?
C206 C201 Mg22 166.3(4) . . ?
C206 C201 O61 123.4(5) . . ?
C206 C201 C202 120.8(5) . . ?
Mg13 C202 Mg22 85.03(17) 3_667 . ?
O62 C202 Mg13 42.8(2) . 3_667 ?
O62 C202 Mg22 42.4(2) . . ?
O62 C202 C201 120.5(5) . . ?
O62 C202 C203 120.5(5) . . ?
C201 C202 Mg13 162.8(4) . 3_667 ?
C201 C202 Mg22 78.1(3) . . ?
C203 C202 Mg13 77.9(3) . 3_667 ?
C203 C202 Mg22 162.9(4) . . ?
C203 C202 C201 119.0(5) . . ?
O63 C203 Mg13 42.3(2) . 3_667 ?
O63 C203 C202 115.3(5) . . ?
O63 C203 C204 123.2(5) . . ?
C202 C203 Mg13 73.2(3) . 3_667 ?
C204 C203 Mg13 164.8(4) . 3_667 ?
C204 C203 C202 121.5(5) . . ?
C203 C204 C205 117.1(5) . . ?
C203 C204 C207 120.4(5) . . ?
C205 C204 C207 122.5(5) . . ?
C204 C205 H205 118.2 . . ?
C206 C205 C204 123.5(5) . . ?
C206 C205 H205 118.2 . . ?
C201 C206 C205 118.1(5) . . ?
C201 C206 C228 120.3(5) . . ?
C205 C206 C228 121.6(5) . . ?
C204 C207 H207 106.4 . . ?
C204 C207 C208 109.7(4) . . ?
C204 C207 C229 113.7(5) . . ?
C208 C207 H207 106.4 . . ?
C208 C207 C229 113.7(5) . . ?
C229 C207 H207 106.4 . . ?
C209 C208 C207 120.2(5) . . ?
C209 C208 C213 118.0(5) . . ?
C213 C208 C207 121.7(5) . . ?
O64 C209 Mg24 42.1(2) . 3_667 ?
O64 C209 C208 124.3(5) . . ?
O64 C209 C210 115.9(5) . . ?
C208 C209 Mg24 165.2(4) . 3_667 ?
C208 C209 C210 119.8(6) . . ?
C210 C209 Mg24 74.2(3) . 3_667 ?
Mg20 C210 Mg24 84.95(18) 3_667 3_667 ?
O65 C210 Mg20 43.1(3) . 3_667 ?
O65 C210 Mg24 42.3(3) . 3_667 ?
O65 C210 C209 118.7(6) . . ?
O65 C210 C211 120.3(5) . . ?
C209 C210 Mg20 161.4(5) . 3_667 ?
C209 C210 Mg24 76.5(4) . 3_667 ?
C211 C210 Mg20 77.3(3) . 3_667 ?
C211 C210 Mg24 162.0(4) . 3_667 ?
C211 C210 C209 121.1(5) . . ?
O66 C211 Mg20 42.5(3) . 3_667 ?
O66 C211 C210 116.2(5) . . ?
O66 C211 C212 123.8(6) . . ?
C210 C211 Mg20 74.1(3) . 3_667 ?
C210 C211 C212 120.0(5) . . ?
C212 C211 Mg20 165.5(4) . 3_667 ?
C211 C212 C213 117.9(6) . . ?
C211 C212 C214 120.0(5) . . ?
C213 C212 C214 122.1(5) . . ?
C208 C213 C212 123.2(5) . . ?
C208 C213 H213 118.4 . . ?
C212 C213 H213 118.4 . . ?
C212 C214 H214 106.4 . . ?
C212 C214 C215 109.7(5) . . ?
C212 C214 C232 113.5(5) . . ?
C215 C214 H214 106.4 . . ?
C232 C214 H214 106.4 . . ?
C232 C214 C215 113.8(5) . . ?
C216 C215 C214 120.1(5) . . ?
C220 C215 C214 122.1(5) . . ?
C220 C215 C216 117.8(6) . . ?
O67 C216 Mg21 42.9(3) . 3_667 ?
O67 C216 C215 123.0(6) . . ?
O67 C216 C217 117.1(5) . . ?
C215 C216 Mg21 165.3(5) . 3_667 ?
C217 C216 Mg21 74.5(3) . 3_667 ?
C217 C216 C215 119.9(6) . . ?
Mg16 C217 Mg21 85.06(17) . 3_667 ?
O68 C217 Mg16 42.6(3) . . ?
O68 C217 Mg21 42.6(3) . 3_667 ?
O68 C217 C216 119.1(5) . . ?
O68 C217 C218 120.3(6) . . ?
C216 C217 Mg16 161.6(4) . . ?
C216 C217 Mg21 76.6(4) . 3_667 ?
C218 C217 Mg16 77.7(4) . . ?
C218 C217 Mg21 162.7(5) . 3_667 ?
C218 C217 C216 120.7(5) . . ?
O69 C218 Mg16 42.9(2) . . ?
O69 C218 C217 116.3(5) . . ?
O69 C218 C219 123.4(5) . . ?
C217 C218 Mg16 73.5(4) . . ?
C217 C218 C219 120.3(6) . . ?
C219 C218 Mg16 165.5(5) . . ?
C218 C219 C221 120.2(6) . . ?
C220 C219 C218 117.9(6) . . ?
C220 C219 C221 121.8(5) . . ?
C215 C220 H220 118.4 . . ?
C219 C220 C215 123.3(5) . . ?
C219 C220 H220 118.4 . . ?
C219 C221 H221 106.6 . . ?
C219 C221 C235 113.2(5) . . ?
C222 C221 C219 110.0(5) . . ?
C222 C221 H221 106.6 . . ?
C222 C221 C235 113.5(5) . . ?
C235 C221 H221 106.6 . . ?
C223 C222 C221 119.7(5) . . ?
C227 C222 C221 122.5(5) . . ?
C227 C222 C223 117.7(5) . . ?
O70 C223 Mg17 42.7(3) . . ?
O70 C223 C222 123.3(5) . . ?
O70 C223 C224 116.4(5) . . ?
C222 C223 Mg17 165.3(4) . . ?
C224 C223 Mg17 73.8(3) . . ?
C224 C223 C222 120.4(5) . . ?
Mg17 C224 Mg23 85.55(18) . . ?
O71 C224 Mg17 43.3(3) . . ?
O71 C224 Mg23 42.5(3) . . ?
O71 C224 C223 120.5(5) . . ?
O71 C224 C225 119.7(5) . . ?
C223 C224 Mg17 77.2(3) . . ?
C223 C224 Mg23 162.6(4) . . ?
C223 C224 C225 119.8(5) . . ?
C225 C224 Mg17 163.0(4) . . ?
C225 C224 Mg23 77.4(4) . . ?
O72 C225 Mg23 42.5(2) . . ?
O72 C225 C224 115.5(5) . . ?
O72 C225 C226 124.4(5) . . ?
C224 C225 Mg23 73.4(3) . . ?
C226 C225 Mg23 165.0(4) . . ?
C226 C225 C224 120.0(5) . . ?
C225 C226 C227 118.6(5) . . ?
C225 C226 C228 119.7(5) . . ?
C227 C226 C228 121.7(5) . . ?
C222 C227 C226 123.4(5) . . ?
C222 C227 H227 118.3 . . ?
C226 C227 H227 118.3 . . ?
C206 C228 C226 109.2(4) . . ?
C206 C228 H228 106.5 . . ?
C226 C228 H228 106.5 . . ?
C238 C228 C206 113.8(5) . . ?
C238 C228 C226 113.6(5) . . ?
C238 C228 H228 106.5 . . ?
C207 C229 H22A 108.8 . . ?
C207 C229 H22B 108.8 . . ?
H22A C229 H22B 107.7 . . ?
C230 C229 C207 113.9(5) . . ?
C230 C229 H22A 108.8 . . ?
C230 C229 H22B 108.8 . . ?
C229 C230 H23A 108.3 . . ?
C229 C230 H23B 108.3 . . ?
H23A C230 H23B 107.4 . . ?
C231 C230 C229 115.8(6) . . ?
C231 C230 H23A 108.3 . . ?
C231 C230 H23B 108.3 . . ?
C230 C231 H23C 109.5 . . ?
C230 C231 H23D 109.5 . . ?
C230 C231 H23E 109.5 . . ?
H23C C231 H23D 109.5 . . ?
H23C C231 H23E 109.5 . . ?
H23D C231 H23E 109.5 . . ?
C214 C232 H23F 109.0 . . ?
C214 C232 H23G 109.0 . . ?
H23F C232 H23G 107.8 . . ?
C233 C232 C214 113.0(6) . . ?
C233 C232 H23F 109.0 . . ?
C233 C232 H23G 109.0 . . ?
C232 C233 H23H 109.5 . . ?
C232 C233 H23I 109.5 . . ?
H23H C233 H23I 108.1 . . ?
C234 C233 C232 110.8(7) . . ?
C234 C233 H23H 109.5 . . ?
C234 C233 H23I 109.5 . . ?
C233 C234 H23J 109.5 . . ?
C233 C234 H23K 109.5 . . ?
C233 C234 H23L 109.5 . . ?
H23J C234 H23K 109.5 . . ?
H23J C234 H23L 109.5 . . ?
H23K C234 H23L 109.5 . . ?
C221 C235 H23M 108.6 . . ?
C221 C235 H23N 108.6 . . ?
H23M C235 H23N 107.6 . . ?
C236 C235 C221 114.7(5) . . ?
C236 C235 H23M 108.6 . . ?
C236 C235 H23N 108.6 . . ?
C235 C236 H23O 108.9 . . ?
C235 C236 H23P 108.9 . . ?
C235 C236 C237 113.3(6) . . ?
H23O C236 H23P 107.7 . . ?
C237 C236 H23O 108.9 . . ?
C237 C236 H23P 108.9 . . ?
C236 C237 H23Q 109.5 . . ?
C236 C237 H23R 109.5 . . ?
C236 C237 H23S 109.5 . . ?
H23Q C237 H23R 109.5 . . ?
H23Q C237 H23S 109.5 . . ?
H23R C237 H23S 109.5 . . ?
C228 C238 H23T 108.5 . . ?
C228 C238 H23U 108.5 . . ?
H23T C238 H23U 107.5 . . ?
C239 C238 C228 115.2(6) . . ?
C239 C238 H23T 108.5 . . ?
C239 C238 H23U 108.5 . . ?
C238 C239 H23V 108.2 . . ?
C238 C239 H23W 108.2 . . ?
C238 C239 C240 116.4(8) . . ?
H23V C239 H23W 107.3 . . ?
C240 C239 H23V 108.2 . . ?
C240 C239 H23W 108.2 . . ?
C239 C240 H24A 109.5 . . ?
C239 C240 H24B 109.5 . . ?
C239 C240 H24C 109.5 . . ?
H24A C240 H24B 109.5 . . ?
H24A C240 H24C 109.5 . . ?
H24B C240 H24C 109.5 . . ?
O73 C241 H24D 109.5 . . ?
O73 C241 H24E 109.5 . . ?
H24D C241 H24E 108.1 . . ?
C242 C241 O73 110.8(7) . . ?
C242 C241 H24D 109.5 . . ?
C242 C241 H24E 109.5 . . ?
O74 C242 H24F 109.2 . . ?
O74 C242 H24G 109.2 . . ?
C241 C242 O74 112.2(7) . . ?
C241 C242 H24F 109.2 . . ?
C241 C242 H24G 109.2 . . ?
H24F C242 H24G 107.9 . . ?
O74 C243 H24H 109.5 . . ?
O74 C243 H24I 109.5 . . ?
O74 C243 C244 110.7(5) . . ?
H24H C243 H24I 108.1 . . ?
C244 C243 H24H 109.5 . . ?
C244 C243 H24I 109.5 . . ?
O75 C244 C243 111.3(5) . . ?
O75 C244 H24J 109.4 . . ?
O75 C244 H24K 109.4 . . ?
C243 C244 H24J 109.4 . . ?
C243 C244 H24K 109.4 . . ?
H24J C244 H24K 108.0 . . ?
O76 C245 H24L 109.0 . . ?
O76 C245 H24M 109.0 . . ?
H24L C245 H24M 107.8 . . ?
C246 C245 O76 113.0(10) . . ?
C246 C245 H24L 109.0 . . ?
C246 C245 H24M 109.0 . . ?
O77 C246 H24N 110.0 . . ?
O77 C246 H24O 110.0 . . ?
C245 C246 O77 108.6(10) . . ?
C245 C246 H24N 110.0 . . ?
C245 C246 H24O 110.0 . . ?
H24N C246 H24O 108.4 . . ?
O77 C247 H24P 110.6 . . ?
O77 C247 H24Q 110.6 . . ?
O77 C247 C248 105.9(12) . . ?
H24P C247 H24Q 108.7 . . ?
C248 C247 H24P 110.6 . . ?
C248 C247 H24Q 110.6 . . ?
O78 C248 C247 109.4(14) . . ?
O78 C248 H24R 109.8 . . ?
O78 C248 H24S 109.8 . . ?
C247 C248 H24R 109.8 . . ?
C247 C248 H24S 109.8 . . ?
H24R C248 H24S 108.2 . . ?
O79 C249 H24T 109.0 . . ?
O79 C249 H24U 109.0 . . ?
O79 C249 C250 112.8(7) . . ?
H24T C249 H24U 107.8 . . ?
C250 C249 H24T 109.0 . . ?
C250 C249 H24U 109.0 . . ?
O80 C250 C249 109.8(6) . . ?
O80 C250 H25A 109.7 . . ?
O80 C250 H25B 109.7 . . ?
C249 C250 H25A 109.7 . . ?
C249 C250 H25B 109.7 . . ?
H25A C250 H25B 108.2 . . ?
O80 C251 H25C 109.7 . . ?
O80 C251 H25D 109.7 . . ?
O80 C251 C252 109.7(6) . . ?
H25C C251 H25D 108.2 . . ?
C252 C251 H25C 109.7 . . ?
C252 C251 H25D 109.7 . . ?
O81 C252 C251 112.1(6) . . ?
O81 C252 H25E 109.2 . . ?
O81 C252 H25F 109.2 . . ?
C251 C252 H25E 109.2 . . ?
C251 C252 H25F 109.2 . . ?
H25E C252 H25F 107.9 . . ?
O82 C253 H25G 108.0 . . ?
O82 C253 H25H 108.0 . . ?
H25G C253 H25H 107.2 . . ?
C254 C253 O82 117.3(8) . . ?
C254 C253 H25G 108.0 . . ?
C254 C253 H25H 108.0 . . ?
O83 C254 H25I 107.2 . . ?
O83 C254 H25J 107.2 . . ?
C253 C254 O83 120.4(8) . . ?
C253 C254 H25I 107.2 . . ?
C253 C254 H25J 107.2 . . ?
H25I C254 H25J 106.9 . . ?
O83 C255 H25K 109.8 . . ?
O83 C255 H25L 109.8 . . ?
O83 C255 C256 109.6(5) . . ?
H25K C255 H25L 108.2 . . ?
C256 C255 H25K 109.8 . . ?
C256 C255 H25L 109.8 . . ?
O84 C256 C255 112.9(5) . . ?
O84 C256 H25M 109.0 . . ?
O84 C256 H25N 109.0 . . ?
C255 C256 H25M 109.0 . . ?
C255 C256 H25N 109.0 . . ?
H25M C256 H25N 107.8 . . ?
N2 C257 H257 116.2 . . ?
C258 C257 N2 127.5(8) . . ?
C258 C257 H257 116.2 . . ?
C257 C258 H258 121.0 . . ?
C257 C258 C259 118.0(9) . . ?
C259 C258 H258 121.0 . . ?
C258 C259 H259 120.5 . . ?
C258 C259 C260 119.0(8) . . ?
C260 C259 H259 120.5 . . ?
C259 C260 H260 121.7 . . ?
C261 C260 C259 116.6(8) . . ?
C261 C260 H260 121.7 . . ?
N2 C261 C260 125.9(8) . . ?
N2 C261 H261 117.0 . . ?
C260 C261 H261 117.0 . . ?
O128 C262 H26A 109.8 . . ?
O128 C262 H26B 109.8 . . ?
O128 C262 C263 109.3(6) . . ?
H26A C262 H26B 108.3 . . ?
C263 C262 H26A 109.8 . . ?
C263 C262 H26B 109.8 . . ?
O127 C263 C262 114.7(6) . . ?
O127 C263 H26C 108.6 . . ?
O127 C263 H26D 108.6 . . ?
C262 C263 H26C 108.6 . . ?
C262 C263 H26D 108.6 . . ?
H26C C263 H26D 107.6 . . ?
O127 C264 H26E 109.7 . . ?
O127 C264 H26F 109.7 . . ?
O127 C264 C265 109.7(5) . . ?
H26E C264 H26F 108.2 . . ?
C265 C264 H26E 109.7 . . ?
C265 C264 H26F 109.7 . . ?
O126 C265 C264 109.5(6) . . ?
O126 C265 H26G 109.8 . . ?
O126 C265 H26H 109.8 . . ?
C264 C265 H26G 109.8 . . ?
C264 C265 H26H 109.8 . . ?
H26G C265 H26H 108.2 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mg1 O1 2.043(4) . ?
Mg1 O2 2.011(4) . ?
Mg1 O28 2.046(4) . ?
Mg1 O29 2.024(4) . ?
Mg1 O73 2.148(5) . ?
Mg1 O88 2.198(6) . ?
Mg1 C1 2.840(5) . ?
Mg1 C2 2.796(6) . ?
Mg1 C89 2.838(5) . ?
Mg1 C90 2.787(5) . ?
Mg2 O2 1.990(4) . ?
Mg2 O3 2.070(4) . ?
Mg2 O17 2.018(4) 3_566 ?
Mg2 O18 2.044(4) 3_566 ?
Mg2 O89 2.131(5) . ?
Mg2 O90 2.221(7) . ?
Mg2 C2 2.759(6) . ?
Mg2 C3 2.826(5) . ?
Mg2 C50 2.795(5) 3_566 ?
Mg2 C51 2.842(6) 3_566 ?
Mg3 O4 2.055(4) 3_566 ?
Mg3 O5 2.005(4) 3_566 ?
Mg3 O19 2.040(4) . ?
Mg3 O20 2.009(4) . ?
Mg3 O91 2.302(8) . ?
Mg3 N2 2.162(6) . ?
Mg3 C9 2.854(6) 3_566 ?
Mg3 C10 2.792(6) 3_566 ?
Mg3 C56 2.828(6) . ?
Mg3 C57 2.780(6) . ?
Mg4 O5 2.011(4) . ?
Mg4 O6 2.052(4) . ?
Mg4 O34 2.057(4) 3_566 ?
Mg4 O35 2.026(4) 3_566 ?
Mg4 O81 2.084(5) 4_566 ?
Mg4 O92 2.183(6) . ?
Mg4 C10 2.772(5) . ?
Mg4 C11 2.829(6) . ?
Mg4 C103 2.859(6) 3_566 ?
Mg4 C104 2.797(6) 3_566 ?
Mg5 O7 2.045(4) 3_566 ?
Mg5 O8 2.018(4) 3_566 ?
Mg5 O32 2.064(4) . ?
Mg5 O33 2.031(4) . ?
Mg5 O76 2.112(5) . ?
Mg5 O93 2.168(6) . ?
Mg5 C16 2.824(5) 3_566 ?
Mg5 C17 2.782(6) 3_566 ?
Mg5 C96 2.821(6) . ?
Mg5 C97 2.827(6) . ?
Mg6 O8 2.001(4) . ?
Mg6 O9 2.058(4) . ?
Mg6 O13 2.053(4) . ?
Mg6 O14 2.014(4) . ?
Mg6 O85 2.171(6) . ?
Mg6 O94 2.280(8) . ?
Mg6 C17 2.784(6) . ?
Mg6 C18 2.842(5) . ?
Mg6 C41 2.845(6) . ?
Mg6 C42 2.783(6) . ?
Mg7 O10 2.035(4) . ?
Mg7 O11 2.010(4) . ?
Mg7 O23 2.017(4) . ?
Mg7 O24 2.057(4) . ?
Mg7 O95 2.168(6) . ?
Mg7 O96 2.216(7) . ?
Mg7 C23 2.818(6) . ?
Mg7 C24 2.763(6) . ?
Mg7 C64 2.780(6) . ?
Mg7 C65 2.825(6) . ?
Mg8 O11 2.017(4) . ?
Mg8 O12 2.029(4) . ?
Mg8 O26 2.014(4) . ?
Mg8 O27 2.047(4) . ?
Mg8 O97 2.099(7) . ?
Mg8 O98 2.283(9) . ?
Mg8 C24 2.789(6) . ?
Mg8 C25 2.833(6) . ?
Mg8 C82 2.792(6) . ?
Mg8 C83 2.836(6) . ?
Mg9 O14 2.043(4) . ?
Mg9 O15 2.017(4) . ?
Mg9 O31 2.041(4) 3_566 ?
Mg9 O32 2.051(4) 3_566 ?
Mg9 O79 2.094(5) . ?
Mg9 O99 2.200(6) . ?
Mg9 C42 2.784(6) . ?
Mg9 C43 2.808(6) . ?
Mg9 C95 2.810(6) 3_566 ?
Mg9 C96 2.784(6) 3_566 ?
Mg10 O16 2.043(4) . ?
Mg10 O17 1.994(4) . ?
Mg10 O29 2.000(4) 3_566 ?
Mg10 O30 2.070(4) 3_566 ?
Mg10 O84 2.149(4) 1_454 ?
Mg10 O100 2.275(8) . ?
Mg10 C49 2.813(6) . ?
Mg10 C50 2.755(6) . ?
Mg10 C90 2.802(6) 3_566 ?
Mg10 C91 2.862(6) 3_566 ?
Mg11 O20 1.999(4) . ?
Mg11 O21 2.055(4) . ?
Mg11 O35 2.016(4) . ?
Mg11 O36 2.032(4) . ?
Mg11 O78 2.101(5) 4_575 ?
Mg11 O101 2.283(8) . ?
Mg11 C57 2.781(5) . ?
Mg11 C58 2.855(6) . ?
Mg11 C104 2.772(6) . ?
Mg11 C105 2.818(6) . ?
Mg12 O22 2.046(4) . ?
Mg12 O23 2.030(4) . ?
Mg12 O25 2.045(4) . ?
Mg12 O26 2.015(4) . ?
Mg12 O102 2.131(6) . ?
Mg12 O103 2.216(7) . ?
Mg12 C63 2.833(6) . ?
Mg12 C64 2.805(6) . ?
Mg12 C81 2.843(6) . ?
Mg12 C82 2.785(6) . ?
Mg13 O37 2.046(4) . ?
Mg13 O38 2.019(4) . ?
Mg13 O62 2.013(4) 3_667 ?
Mg13 O63 2.044(4) 3_667 ?
Mg13 O75 2.105(4) . ?
Mg13 O104 2.226(7) . ?
Mg13 C121 2.824(6) . ?
Mg13 C122 2.786(6) . ?
Mg13 C202 2.778(6) 3_667 ?
Mg13 C203 2.838(6) 3_667 ?
Mg14 O38 2.009(4) 3_667 ?
Mg14 O39 2.062(4) 3_667 ?
Mg14 O55 2.043(4) . ?
Mg14 O56 1.999(4) . ?
Mg14 O82 2.128(5) . ?
Mg14 O105 2.256(7) . ?
Mg14 C122 2.810(6) 3_667 ?
Mg14 C123 2.859(6) 3_667 ?
Mg14 C176 2.838(6) . ?
Mg14 C177 2.771(6) . ?
Mg15 O40 2.040(5) 3_667 ?
Mg15 O41 1.999(5) 3_667 ?
Mg15 O53 2.008(5) . ?
Mg15 O54 2.045(5) . ?
Mg15 O120 2.157(8) . ?
Mg15 O121 2.241(9) . ?
Mg15 C129 2.832(6) 3_667 ?
Mg15 C130 2.778(7) 3_667 ?
Mg15 C170 2.793(7) . ?
Mg15 C171 2.835(7) . ?
Mg16 O41 2.001(5) . ?
Mg16 O42 2.042(5) . ?
Mg16 O68 2.011(5) . ?
Mg16 O69 2.058(5) . ?
Mg16 O108 2.159(7) . ?
Mg16 O109 2.236(8) . ?
Mg16 C130 2.781(7) . ?
Mg16 C131 2.833(7) . ?
Mg16 C217 2.784(7) . ?
Mg16 C218 2.837(6) . ?
Mg17 O43 2.058(4) . ?
Mg17 O44 2.010(5) . ?
Mg17 O70 2.043(5) . ?
Mg17 O71 2.028(5) . ?
Mg17 O110 2.136(7) . ?
Mg17 O111 2.253(8) . ?
Mg17 C136 2.843(6) . ?
Mg17 C137 2.791(7) . ?
Mg17 C223 2.825(6) . ?
Mg17 C224 2.782(6) . ?
Mg18 O44 2.001(5) . ?
Mg18 O45 2.052(4) . ?
Mg18 O59 2.015(4) . ?
Mg18 O60 2.037(5) . ?
Mg18 O112 2.119(6) . ?
Mg18 O113 2.261(8) . ?
Mg18 C137 2.795(7) . ?
Mg18 C138 2.847(6) . ?
Mg18 C184 2.779(6) . ?
Mg18 C185 2.820(6) . ?
Mg19 O46 2.042(5) . ?
Mg19 O47 2.009(4) . ?
Mg19 O49 2.045(4) . ?
Mg19 O50 2.008(5) . ?
Mg19 O114 2.142(7) . ?
Mg19 O115 2.262(8) . ?
Mg19 C143 2.830(7) . ?
Mg19 C144 2.775(6) . ?
Mg19 C161 2.825(6) . ?
Mg19 C162 2.780(7) . ?
Mg20 O50 2.003(5) . ?
Mg20 O51 2.049(5) . ?
Mg20 O65 2.012(5) 3_667 ?
Mg20 O66 2.032(5) 3_667 ?
Mg20 O116 2.158(7) . ?
Mg20 O117 2.331(10) . ?
Mg20 C162 2.785(6) . ?
Mg20 C163 2.841(6) . ?
Mg20 C210 2.779(6) 3_667 ?
Mg20 C211 2.819(6) 3_667 ?
Mg21 O52 2.043(5) . ?
Mg21 O53 2.005(5) . ?
Mg21 O67 2.036(5) 3_667 ?
Mg21 O68 2.014(5) 3_667 ?
Mg21 O118 2.102(7) . ?
Mg21 O119 2.255(9) . ?
Mg21 C169 2.830(7) . ?
Mg21 C170 2.776(6) . ?
Mg21 C216 2.814(6) 3_667 ?
Mg21 C217 2.787(6) 3_667 ?
Mg22 O01Y 2.116(4) . ?
Mg22 O56 2.014(4) . ?
Mg22 O57 2.058(4) . ?
Mg22 O61 2.070(4) . ?
Mg22 O62 2.017(4) . ?
Mg22 O096 2.185(6) . ?
Mg22 C177 2.785(6) . ?
Mg22 C178 2.840(6) . ?
Mg22 C201 2.858(6) . ?
Mg22 C202 2.793(6) . ?
Mg23 O58 2.040(4) . ?
Mg23 O59 1.994(4) . ?
Mg23 O71 2.018(5) . ?
Mg23 O72 2.053(4) . ?
Mg23 O122 2.118(6) . ?
Mg23 O123 2.278(8) . ?
Mg23 C183 2.827(6) . ?
Mg23 C184 2.772(6) . ?
Mg23 C224 2.790(7) . ?
Mg23 C225 2.843(6) . ?
Mg24 O47 2.014(5) . ?
Mg24 O48 2.029(5) . ?
Mg24 O64 2.035(4) 3_667 ?
Mg24 O65 2.014(5) 3_667 ?
Mg24 O124 2.151(8) . ?
Mg24 O125 2.339(10) . ?
Mg24 C144 2.779(7) . ?
Mg24 C145 2.814(7) . ?
Mg24 C209 2.832(6) 3_667 ?
Mg24 C210 2.802(7) 3_667 ?
O1 C1 1.379(6) . ?
O2 C2 1.357(6) . ?
O3 C3 1.375(6) . ?
O4 C9 1.385(6) . ?
O5 C10 1.346(6) . ?
O6 C11 1.377(6) . ?
O7 C16 1.364(6) . ?
O8 C17 1.350(6) . ?
O9 C18 1.382(6) . ?
O10 C23 1.377(6) . ?
O11 C24 1.347(7) . ?
O12 C25 1.376(6) . ?
O13 C41 1.373(6) . ?
O14 C42 1.330(7) . ?
O15 C43 1.359(6) . ?
O16 C49 1.373(6) . ?
O17 C50 1.351(6) . ?
O18 C51 1.379(6) . ?
O19 C56 1.365(6) . ?
O20 C57 1.359(6) . ?
O21 C58 1.397(6) . ?
O22 C63 1.356(6) . ?
O23 C64 1.342(7) . ?
O24 C65 1.350(7) . ?
O25 C81 1.388(6) . ?
O26 C82 1.354(7) . ?
O27 C83 1.372(6) . ?
O28 C89 1.379(6) . ?
O29 C90 1.354(6) . ?
O30 C91 1.377(6) . ?
O31 C95 1.343(6) . ?
O32 C96 1.311(6) . ?
O33 C97 1.356(6) . ?
O34 C103 1.380(6) . ?
O35 C104 1.334(6) . ?
O36 C105 1.366(6) . ?
O37 C121 1.376(7) . ?
O38 C122 1.358(6) . ?
O39 C123 1.382(7) . ?
O40 C129 1.377(7) . ?
O41 C130 1.361(7) . ?
O42 C131 1.381(7) . ?
O43 C136 1.383(8) . ?
O44 C137 1.361(7) . ?
O45 C138 1.386(7) . ?
O46 C143 1.368(7) . ?
O47 C144 1.342(7) . ?
O48 C145 1.354(7) . ?
O49 C161 1.362(7) . ?
O50 C162 1.354(7) . ?
O51 C163 1.374(7) . ?
O52 C169 1.388(7) . ?
O53 C170 1.354(7) . ?
O54 C171 1.366(7) . ?
O55 C176 1.401(7) . ?
O56 C177 1.348(6) . ?
O57 C178 1.365(7) . ?
O58 C183 1.373(7) . ?
O59 C184 1.352(7) . ?
O60 C185 1.370(6) . ?
O61 C201 1.386(6) . ?
O62 C202 1.340(6) . ?
O63 C203 1.373(7) . ?
O64 C209 1.367(7) . ?
O65 C210 1.362(7) . ?
O66 C211 1.367(7) . ?
O67 C216 1.370(7) . ?
O68 C217 1.347(7) . ?
O69 C218 1.365(7) . ?
O70 C223 1.369(7) . ?
O71 C224 1.336(7) . ?
O72 C225 1.367(7) . ?
O73 C241 1.478(9) . ?
O74 C242 1.427(8) . ?
O74 C243 1.417(7) . ?
O75 C244 1.407(7) . ?
O76 C245 1.427(10) . ?
O77 C246 1.411(12) . ?
O77 C247 1.449(15) . ?
O78 C248 1.437(12) . ?
O79 C249 1.423(8) . ?
O80 C250 1.432(8) . ?
O80 C251 1.398(8) . ?
O81 C252 1.428(8) . ?
O82 C253 1.447(9) . ?
O83 C254 1.471(9) . ?
O83 C255 1.426(8) . ?
O84 C256 1.454(7) . ?
O85 N1 1.242(8) . ?
O86 N1 1.274(8) . ?
O87 N1 1.228(7) . ?
O126 C265 1.453(8) . ?
O127 C263 1.432(9) . ?
O127 C264 1.430(8) . ?
O128 C262 1.434(7) . ?
N2 C257 1.357(9) . ?
N2 C261 1.350(9) . ?
C1 C2 1.399(8) . ?
C1 C6 1.398(7) . ?
C2 C3 1.395(7) . ?
C3 C4 1.395(7) . ?
C4 C5 1.389(7) . ?
C4 C7 1.534(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.386(7) . ?
C6 C28 1.517(8) . ?
C7 H7 1.0000 . ?
C7 C8 1.520(7) . ?
C7 C29 1.542(7) . ?
C8 C9 1.398(7) . ?
C8 C13 1.388(7) . ?
C9 C10 1.391(7) . ?
C10 C11 1.412(7) . ?
C11 C12 1.389(7) . ?
C12 C13 1.386(7) . ?
C12 C14 1.527(7) . ?
C13 H13 0.9500 . ?
C14 H14 1.0000 . ?
C14 C15 1.517(8) . ?
C14 C32 1.541(7) . ?
C15 C16 1.399(7) . ?
C15 C20 1.396(7) . ?
C16 C17 1.403(8) . ?
C17 C18 1.400(8) . ?
C18 C19 1.393(7) . ?
C19 C20 1.390(8) . ?
C19 C21 1.524(8) . ?
C20 H20 0.9500 . ?
C21 H21 1.0000 . ?
C21 C22 1.531(7) . ?
C21 C35 1.530(7) . ?
C22 C23 1.392(7) . ?
C22 C27 1.387(7) . ?
C23 C24 1.403(8) . ?
C24 C25 1.418(7) . ?
C25 C26 1.388(7) . ?
C26 C27 1.401(7) . ?
C26 C28 1.521(7) . ?
C27 H27 0.9500 . ?
C28 H28 1.0000 . ?
C28 C38 1.538(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.511(8) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.514(9) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.494(9) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.545(11) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.513(9) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.455(11) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.499(8) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.529(9) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.413(8) . ?
C41 C46 1.384(8) . ?
C42 C43 1.421(8) . ?
C43 C44 1.394(7) . ?
C44 C45 1.367(7) . ?
C44 C47 1.525(7) . ?
C45 H45 0.9500 . ?
C45 C46 1.423(7) . ?
C46 C68 1.503(8) . ?
C47 H47 1.0000 . ?
C47 C48 1.528(7) . ?
C47 C69 1.528(7) . ?
C48 C49 1.386(7) . ?
C48 C53 1.399(7) . ?
C49 C50 1.403(7) . ?
C50 C51 1.402(7) . ?
C51 C52 1.388(7) . ?
C52 C53 1.386(7) . ?
C52 C54 1.523(7) . ?
C53 H53 0.9500 . ?
C54 H54 1.0000 . ?
C54 C55 1.529(7) . ?
C54 C72 1.536(7) . ?
C55 C56 1.382(7) . ?
C55 C60 1.388(7) . ?
C56 C57 1.413(7) . ?
C57 C58 1.402(8) . ?
C58 C59 1.386(7) . ?
C59 C60 1.391(7) . ?
C59 C61 1.532(8) . ?
C60 H60 0.9500 . ?
C61 H61 1.0000 . ?
C61 C62 1.537(8) . ?
C61 C75 1.519(7) . ?
C62 C63 1.393(7) . ?
C62 C67 1.389(8) . ?
C63 C64 1.413(8) . ?
C64 C65 1.407(8) . ?
C65 C66 1.391(7) . ?
C66 C67 1.391(8) . ?
C66 C68 1.538(8) . ?
C67 H67 0.9500 . ?
C68 H68 1.0000 . ?
C68 C78 1.535(7) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 C70 1.514(8) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C70 C71 1.499(10) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C72 C73 1.510(9) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 C74 1.484(10) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C75 C76 1.507(8) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 C77 1.525(8) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C78 C79 1.529(9) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C80 1.484(9) . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.386(8) . ?
C81 C86 1.393(8) . ?
C82 C83 1.418(8) . ?
C83 C84 1.380(7) . ?
C84 C85 1.400(7) . ?
C84 C87 1.526(7) . ?
C85 H85 0.9500 . ?
C85 C86 1.401(7) . ?
C86 C108 1.520(7) . ?
C87 H87 1.0000 . ?
C87 C88 1.505(8) . ?
C87 C109 1.548(7) . ?
C88 C89 1.409(7) . ?
C88 C93 1.399(7) . ?
C89 C90 1.393(7) . ?
C90 C91 1.402(7) . ?
C91 C92 1.399(7) . ?
C92 C93 1.388(8) . ?
C92 C94 1.523(7) . ?
C93 H93 0.9500 . ?
C94 H94 1.0000 . ?
C94 C100 1.521(7) . ?
C94 C112 1.545(8) . ?
C95 C96 1.419(7) . ?
C95 C100 1.396(8) . ?
C96 C97 1.406(7) . ?
C97 C98 1.399(7) . ?
C98 C99 1.395(7) . ?
C98 C101 1.535(7) . ?
C99 H99 0.9500 . ?
C99 C100 1.403(7) . ?
C101 H101 1.0000 . ?
C101 C102 1.530(7) . ?
C101 C115 1.516(7) . ?
C102 C103 1.395(7) . ?
C102 C107 1.377(8) . ?
C103 C104 1.407(8) . ?
C104 C105 1.411(8) . ?
C105 C106 1.388(7) . ?
C106 C107 1.409(8) . ?
C106 C108 1.522(8) . ?
C107 H107 0.9500 . ?
C108 H108 1.0000 . ?
C108 C118 1.518(7) . ?
C109 H10A 0.9900 . ?
C109 H10B 0.9900 . ?
C109 C110 1.489(10) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C110 C111 1.531(13) . ?
C111 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C112 H11F 0.9900 . ?
C112 H11G 0.9900 . ?
C112 C113 1.518(9) . ?
C113 H11H 0.9900 . ?
C113 H11I 0.9900 . ?
C113 C114 1.357(14) . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C114 H11L 0.9800 . ?
C115 H11M 0.9900 . ?
C115 H11N 0.9900 . ?
C115 C116 1.529(8) . ?
C116 H11O 0.9900 . ?
C116 H11P 0.9900 . ?
C116 C117 1.526(9) . ?
C117 H11Q 0.9800 . ?
C117 H11R 0.9800 . ?
C117 H11S 0.9800 . ?
C118 H11T 0.9900 . ?
C118 H11U 0.9900 . ?
C118 C119 1.521(9) . ?
C119 H11V 0.9900 . ?
C119 H11W 0.9900 . ?
C119 C120 1.519(11) . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 C122 1.384(8) . ?
C121 C126 1.397(8) . ?
C122 C123 1.403(8) . ?
C123 C124 1.393(8) . ?
C124 C125 1.372(8) . ?
C124 C127 1.509(9) . ?
C125 H125 0.9500 . ?
C125 C126 1.401(9) . ?
C126 C148 1.514(8) . ?
C127 H127 1.0000 . ?
C127 C128 1.520(8) . ?
C127 C149 1.531(8) . ?
C128 C129 1.398(8) . ?
C128 C133 1.395(8) . ?
C129 C130 1.409(8) . ?
C130 C131 1.392(9) . ?
C131 C132 1.396(9) . ?
C132 C133 1.401(8) . ?
C132 C134 1.520(9) . ?
C133 H133 0.9500 . ?
C134 H134 1.0000 . ?
C134 C135 1.529(9) . ?
C134 C152 1.541(8) . ?
C135 C136 1.397(8) . ?
C135 C140 1.385(9) . ?
C136 C137 1.391(9) . ?
C137 C138 1.389(9) . ?
C138 C139 1.396(8) . ?
C139 C140 1.388(9) . ?
C139 C141 1.524(9) . ?
C140 H140 0.9500 . ?
C141 H141 1.0000 . ?
C141 C142 1.543(8) . ?
C141 C155 1.542(8) . ?
C142 C143 1.379(8) . ?
C142 C147 1.397(8) . ?
C143 C144 1.417(8) . ?
C144 C145 1.416(8) . ?
C145 C146 1.392(8) . ?
C146 C147 1.389(8) . ?
C146 C148 1.530(8) . ?
C147 H147 0.9500 . ?
C148 H148 1.0000 . ?
C148 C158 1.570(8) . ?
C149 H14A 0.9900 . ?
C149 H14B 0.9900 . ?
C149 C150 1.424(12) . ?
C150 H15A 0.9900 . ?
C150 H15B 0.9900 . ?
C150 C151 1.595(13) . ?
C151 H15C 0.9800 . ?
C151 H15D 0.9800 . ?
C151 H15E 0.9800 . ?
C152 H15F 0.9900 . ?
C152 H15G 0.9900 . ?
C152 C153 1.464(10) . ?
C153 H15H 0.9900 . ?
C153 H15I 0.9900 . ?
C153 C154 1.521(10) . ?
C154 H15J 0.9800 . ?
C154 H15K 0.9800 . ?
C154 H15L 0.9800 . ?
C155 H15M 0.9900 . ?
C155 H15N 0.9900 . ?
C155 C156 1.514(11) . ?
C156 H15O 0.9900 . ?
C156 H15P 0.9900 . ?
C156 C157 1.555(14) . ?
C157 H15Q 0.9800 . ?
C157 H15R 0.9800 . ?
C157 H15S 0.9800 . ?
C158 H15T 0.9900 . ?
C158 H15U 0.9900 . ?
C158 C159 1.523(9) . ?
C159 H15V 0.9900 . ?
C159 H15W 0.9900 . ?
C159 C160 1.439(14) . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
C161 C162 1.405(8) . ?
C161 C166 1.400(8) . ?
C162 C163 1.406(9) . ?
C163 C164 1.399(8) . ?
C164 C165 1.389(8) . ?
C164 C167 1.520(9) . ?
C165 H165 0.9500 . ?
C165 C166 1.385(8) . ?
C166 C188 1.501(8) . ?
C167 H167 1.0000 . ?
C167 C168 1.532(8) . ?
C167 C189 1.541(8) . ?
C168 C169 1.397(8) . ?
C168 C173 1.392(8) . ?
C169 C170 1.388(9) . ?
C170 C171 1.414(8) . ?
C171 C172 1.392(8) . ?
C172 C173 1.388(8) . ?
C172 C174 1.535(8) . ?
C173 H173 0.9500 . ?
C174 H174 1.0000 . ?
C174 C175 1.491(8) . ?
C174 C192 1.556(8) . ?
C175 C176 1.395(8) . ?
C175 C180 1.399(8) . ?
C176 C177 1.388(8) . ?
C177 C178 1.398(8) . ?
C178 C179 1.408(7) . ?
C179 C180 1.385(8) . ?
C179 C181 1.499(8) . ?
C180 H180 0.9500 . ?
C181 H181 1.0000 . ?
C181 C182 1.528(7) . ?
C181 C195 1.534(8) . ?
C182 C183 1.397(8) . ?
C182 C187 1.407(8) . ?
C183 C184 1.405(8) . ?
C184 C185 1.394(8) . ?
C185 C186 1.410(8) . ?
C186 C187 1.388(8) . ?
C186 C188 1.526(8) . ?
C187 H187 0.9500 . ?
C188 H188 1.0000 . ?
C188 C198 1.533(8) . ?
C189 H18A 0.9900 . ?
C189 H18B 0.9900 . ?
C189 C190 1.539(11) . ?
C190 H19A 0.9900 . ?
C190 H19B 0.9900 . ?
C190 C191 1.574(13) . ?
C191 H19C 0.9800 . ?
C191 H19D 0.9800 . ?
C191 H19E 0.9800 . ?
C192 H19F 0.9900 . ?
C192 H19G 0.9900 . ?
C192 C193 1.498(11) . ?
C193 H19H 0.9900 . ?
C193 H19I 0.9900 . ?
C193 C194 1.513(13) . ?
C194 H19J 0.9800 . ?
C194 H19K 0.9800 . ?
C194 H19L 0.9800 . ?
C195 H19M 0.9900 . ?
C195 H19N 0.9900 . ?
C195 C196 1.520(9) . ?
C196 H19O 0.9900 . ?
C196 H19P 0.9900 . ?
C196 C197 1.478(10) . ?
C197 H19Q 0.9800 . ?
C197 H19R 0.9800 . ?
C197 H19S 0.9800 . ?
C198 H19T 0.9900 . ?
C198 H19U 0.9900 . ?
C198 C199 1.490(10) . ?
C199 H19V 0.9900 . ?
C199 H19W 0.9900 . ?
C199 C200 1.500(10) . ?
C200 H20A 0.9800 . ?
C200 H20B 0.9800 . ?
C200 H20C 0.9800 . ?
C201 C202 1.416(8) . ?
C201 C206 1.372(8) . ?
C202 C203 1.403(8) . ?
C203 C204 1.386(8) . ?
C204 C205 1.397(8) . ?
C204 C207 1.512(8) . ?
C205 H205 0.9500 . ?
C205 C206 1.396(8) . ?
C206 C228 1.529(8) . ?
C207 H207 1.0000 . ?
C207 C208 1.523(8) . ?
C207 C229 1.533(8) . ?
C208 C209 1.381(8) . ?
C208 C213 1.401(8) . ?
C209 C210 1.425(8) . ?
C210 C211 1.386(9) . ?
C211 C212 1.396(8) . ?
C212 C213 1.405(8) . ?
C212 C214 1.518(9) . ?
C213 H213 0.9500 . ?
C214 H214 1.0000 . ?
C214 C215 1.534(9) . ?
C214 C232 1.533(8) . ?
C215 C216 1.405(8) . ?
C215 C220 1.397(8) . ?
C216 C217 1.402(9) . ?
C217 C218 1.397(9) . ?
C218 C219 1.397(8) . ?
C219 C220 1.394(9) . ?
C219 C221 1.523(9) . ?
C220 H220 0.9500 . ?
C221 H221 1.0000 . ?
C221 C222 1.516(9) . ?
C221 C235 1.538(8) . ?
C222 C223 1.404(8) . ?
C222 C227 1.382(8) . ?
C223 C224 1.402(8) . ?
C224 C225 1.421(8) . ?
C225 C226 1.374(8) . ?
C226 C227 1.400(8) . ?
C226 C228 1.541(8) . ?
C227 H227 0.9500 . ?
C228 H228 1.0000 . ?
C228 C238 1.529(8) . ?
C229 H22A 0.9900 . ?
C229 H22B 0.9900 . ?
C229 C230 1.516(8) . ?
C230 H23A 0.9900 . ?
C230 H23B 0.9900 . ?
C230 C231 1.473(10) . ?
C231 H23C 0.9800 . ?
C231 H23D 0.9800 . ?
C231 H23E 0.9800 . ?
C232 H23F 0.9900 . ?
C232 H23G 0.9900 . ?
C232 C233 1.509(10) . ?
C233 H23H 0.9900 . ?
C233 H23I 0.9900 . ?
C233 C234 1.506(11) . ?
C234 H23J 0.9800 . ?
C234 H23K 0.9800 . ?
C234 H23L 0.9800 . ?
C235 H23M 0.9900 . ?
C235 H23N 0.9900 . ?
C235 C236 1.507(9) . ?
C236 H23O 0.9900 . ?
C236 H23P 0.9900 . ?
C236 C237 1.513(9) . ?
C237 H23Q 0.9800 . ?
C237 H23R 0.9800 . ?
C237 H23S 0.9800 . ?
C238 H23T 0.9900 . ?
C238 H23U 0.9900 . ?
C238 C239 1.490(10) . ?
C239 H23V 0.9900 . ?
C239 H23W 0.9900 . ?
C239 C240 1.522(12) . ?
C240 H24A 0.9800 . ?
C240 H24B 0.9800 . ?
C240 H24C 0.9800 . ?
C241 H24D 0.9900 . ?
C241 H24E 0.9900 . ?
C241 C242 1.406(10) . ?
C242 H24F 0.9900 . ?
C242 H24G 0.9900 . ?
C243 H24H 0.9900 . ?
C243 H24I 0.9900 . ?
C243 C244 1.520(8) . ?
C244 H24J 0.9900 . ?
C244 H24K 0.9900 . ?
C245 H24L 0.9900 . ?
C245 H24M 0.9900 . ?
C245 C246 1.396(14) . ?
C246 H24N 0.9900 . ?
C246 H24O 0.9900 . ?
C247 H24P 0.9900 . ?
C247 H24Q 0.9900 . ?
C247 C248 1.59(2) . ?
C248 H24R 0.9900 . ?
C248 H24S 0.9900 . ?
C249 H24T 0.9900 . ?
C249 H24U 0.9900 . ?
C249 C250 1.442(11) . ?
C250 H25A 0.9900 . ?
C250 H25B 0.9900 . ?
C251 H25C 0.9900 . ?
C251 H25D 0.9900 . ?
C251 C252 1.499(10) . ?
C252 H25E 0.9900 . ?
C252 H25F 0.9900 . ?
C253 H25G 0.9900 . ?
C253 H25H 0.9900 . ?
C253 C254 1.313(11) . ?
C254 H25I 0.9900 . ?
C254 H25J 0.9900 . ?
C255 H25K 0.9900 . ?
C255 H25L 0.9900 . ?
C255 C256 1.503(10) . ?
C256 H25M 0.9900 . ?
C256 H25N 0.9900 . ?
C257 H257 0.9500 . ?
C257 C258 1.350(11) . ?
C258 H258 0.9500 . ?
C258 C259 1.365(11) . ?
C259 H259 0.9500 . ?
C259 C260 1.416(12) . ?
C260 H260 0.9500 . ?
C260 C261 1.391(11) . ?
C261 H261 0.9500 . ?
C262 H26A 0.9900 . ?
C262 H26B 0.9900 . ?
C262 C263 1.510(11) . ?
C263 H26C 0.9900 . ?
C263 H26D 0.9900 . ?
C264 H26E 0.9900 . ?
C264 H26F 0.9900 . ?
C264 C265 1.498(9) . ?
C265 H26G 0.9900 . ?
C265 H26H 0.9900 . ?
