#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/01/4100119.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_4100119
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050938y
_journal_year                    2005
_chemical_formula_sum            'C54 H120 Co K O9 Si8'
_chemical_formula_weight         1236.25
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.177(5)
_cell_angle_beta                 94.693(6)
_cell_angle_gamma                95.974(6)
_cell_formula_units_Z            2
_cell_length_a                   14.2630(18)
_cell_length_b                   15.8900(16)
_cell_length_c                   16.2050(15)
_cell_measurement_temperature    120.0(1)
_cell_volume                     3632.9(7)
_diffrn_ambient_temperature      120.0(1)
_exptl_crystal_density_diffrn    1.130
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4100119
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.13117(2) 0.213644(18) 0.217300(18) 0.01956(8) Uani 1 1 d . . .
K1 K -0.21016(4) 0.29576(3) 0.27526(3) 0.02494(11) Uani 1 1 d . . .
Si1 Si 0.25162(5) 0.24069(4) 0.33021(4) 0.02222(14) Uani 1 1 d . . .
Si2 Si 0.26370(5) 0.13113(4) 0.23834(4) 0.02062(13) Uani 1 1 d . . .
Si3 Si 0.25909(5) 0.21831(4) 0.12913(4) 0.02109(13) Uani 1 1 d . . .
Si4 Si 0.25512(5) 0.32935(4) 0.22156(4) 0.02076(13) Uani 1 1 d . . .
Si5 Si 0.25729(6) 0.26434(4) 0.47644(4) 0.03133(16) Uani 1 1 d . . .
Si6 Si 0.25096(5) -0.01929(4) 0.22885(4) 0.02164(13) Uani 1 1 d . . .
Si7 Si 0.27383(5) 0.19733(4) -0.01523(4) 0.02351(14) Uani 1 1 d . . .
Si8 Si 0.22810(5) 0.47446(4) 0.22693(4) 0.02213(13) Uani 1 1 d . . .
O1 O 0.00491(14) 0.07324(11) 0.13430(12) 0.0380(4) Uani 1 1 d . . .
O2 O -0.01225(12) 0.31659(11) 0.26985(11) 0.0324(4) Uani 1 1 d . . .
O3 O -0.19586(13) 0.21683(12) 0.11889(11) 0.0363(4) Uani 1 1 d . . .
O4 O -0.37367(12) 0.22757(11) 0.17472(11) 0.0308(4) Uani 1 1 d . . .
O5 O -0.38486(13) 0.32514(12) 0.32508(12) 0.0381(4) Uani 1 1 d . . .
O6 O -0.17702(14) 0.32680(11) 0.44426(11) 0.0347(4) Uani 1 1 d . . .
O7 O -0.16205(13) 0.46796(11) 0.34923(11) 0.0337(4) Uani 1 1 d . . .
O8 O -0.23703(15) 0.43498(12) 0.18603(12) 0.0419(5) Uani 1 1 d . . .
O9 O -0.21380(14) 0.13593(11) 0.33491(13) 0.0406(5) Uani 1 1 d . . .
C1 C 0.2740(4) 0.38240(19) 0.5038(2) 0.0727(13) Uani 1 1 d . . .
H1A H 0.2205 0.4076 0.4804 0.109 Uiso 1 1 calc R . .
H1B H 0.3304 0.4069 0.4820 0.109 Uiso 1 1 calc R . .
H1C H 0.2797 0.3926 0.5631 0.109 Uiso 1 1 calc R . .
C2 C 0.3689(2) 0.22110(19) 0.52643(16) 0.0385(6) Uani 1 1 d . . .
C3 C 0.3667(2) 0.1261(2) 0.5085(2) 0.0530(8) Uani 1 1 d . . .
H3A H 0.3128 0.0975 0.5309 0.080 Uiso 1 1 calc R . .
H3B H 0.4236 0.1072 0.5335 0.080 Uiso 1 1 calc R . .
H3C H 0.3625 0.1134 0.4496 0.080 Uiso 1 1 calc R . .
C4 C 0.3822(3) 0.2409(2) 0.62082(18) 0.0554(9) Uani 1 1 d . . .
H4A H 0.3290 0.2143 0.6458 0.083 Uiso 1 1 calc R . .
H4B H 0.3871 0.3011 0.6327 0.083 Uiso 1 1 calc R . .
H4C H 0.4390 0.2196 0.6429 0.083 Uiso 1 1 calc R . .
C5 C 0.4548(3) 0.2640(3) 0.4898(2) 0.0905(17) Uani 1 1 d . . .
H5A H 0.4482 0.2531 0.4306 0.136 Uiso 1 1 calc R . .
H5B H 0.5109 0.2420 0.5126 0.136 Uiso 1 1 calc R . .
H5C H 0.4597 0.3241 0.5031 0.136 Uiso 1 1 calc R . .
C6 C 0.1392(2) 0.2230(2) 0.51714(16) 0.0412(7) Uani 1 1 d . . .
C7 C 0.1130(3) 0.1292(3) 0.4943(3) 0.0854(15) Uani 1 1 d . . .
H7A H 0.1606 0.0977 0.5190 0.128 Uiso 1 1 calc R . .
H7B H 0.1086 0.1192 0.4350 0.128 Uiso 1 1 calc R . .
H7C H 0.0531 0.1112 0.5143 0.128 Uiso 1 1 calc R . .
C8 C 0.0626(3) 0.2716(4) 0.4766(3) 0.113(2) Uani 1 1 d . . .
H8A H 0.0782 0.3312 0.4905 0.169 Uiso 1 1 calc R . .
H8B H 0.0028 0.2531 0.4965 0.169 Uiso 1 1 calc R . .
H8C H 0.0588 0.2609 0.4175 0.169 Uiso 1 1 calc R . .
C9 C 0.1389(3) 0.2381(3) 0.61095(19) 0.0687(11) Uani 1 1 d . . .
H9A H 0.1541 0.2974 0.6263 0.103 Uiso 1 1 calc R . .
H9B H 0.1850 0.2067 0.6382 0.103 Uiso 1 1 calc R . .
H9C H 0.0773 0.2195 0.6273 0.103 Uiso 1 1 calc R . .
C10 C 0.19443(19) -0.05433(16) 0.12200(15) 0.0327(6) Uani 1 1 d . . .
H10A H 0.1305 -0.0401 0.1170 0.049 Uiso 1 1 calc R . .
H10B H 0.1944 -0.1146 0.1129 0.049 Uiso 1 1 calc R . .
H10C H 0.2295 -0.0262 0.0815 0.049 Uiso 1 1 calc R . .
C11 C 0.37902(18) -0.04909(15) 0.23540(17) 0.0297(5) Uani 1 1 d . . .
C12 C 0.43898(19) -0.00478(17) 0.31147(18) 0.0380(6) Uani 1 1 d . . .
H12A H 0.4371 0.0554 0.3107 0.057 Uiso 1 1 calc R . .
H12B H 0.5032 -0.0175 0.3102 0.057 Uiso 1 1 calc R . .
H12C H 0.4141 -0.0245 0.3611 0.057 Uiso 1 1 calc R . .
C13 C 0.4242(2) -0.01984(17) 0.15728(19) 0.0395(6) Uani 1 1 d . . .
H13A H 0.3883 -0.0474 0.1088 0.059 Uiso 1 1 calc R . .
H13B H 0.4880 -0.0344 0.1589 0.059 Uiso 1 1 calc R . .
H13C H 0.4246 0.0405 0.1554 0.059 Uiso 1 1 calc R . .
C14 C 0.3833(2) -0.14516(16) 0.2377(2) 0.0435(7) Uani 1 1 d . . .
H14A H 0.3463 -0.1737 0.1902 0.065 Uiso 1 1 calc R . .
H14B H 0.3584 -0.1646 0.2874 0.065 Uiso 1 1 calc R . .
H14C H 0.4478 -0.1572 0.2370 0.065 Uiso 1 1 calc R . .
C15 C 0.17204(17) -0.07529(14) 0.30535(15) 0.0260(5) Uani 1 1 d . . .
C16 C 0.1472(2) -0.16988(16) 0.27906(18) 0.0363(6) Uani 1 1 d . . .
H16A H 0.1189 -0.1760 0.2229 0.054 Uiso 1 1 calc R . .
H16B H 0.1034 -0.1949 0.3150 0.054 Uiso 1 1 calc R . .
H16C H 0.2037 -0.1979 0.2828 0.054 Uiso 1 1 calc R . .
C17 C 0.07852(19) -0.03503(17) 0.30280(17) 0.0351(6) Uani 1 1 d . . .
H17A H 0.0493 -0.0400 0.2470 0.053 Uiso 1 1 calc R . .
H17B H 0.0909 0.0238 0.3215 0.053 Uiso 1 1 calc R . .
H17C H 0.0369 -0.0638 0.3383 0.053 Uiso 1 1 calc R . .
C18 C 0.2177(2) -0.06648(18) 0.39457(16) 0.0377(6) Uani 1 1 d . . .
H18A H 0.2334 -0.0075 0.4115 0.057 Uiso 1 1 calc R . .
H18B H 0.2742 -0.0946 0.3976 0.057 Uiso 1 1 calc R . .
H18C H 0.1742 -0.0918 0.4306 0.057 Uiso 1 1 calc R . .
C19 C 0.3024(2) 0.08591(17) -0.04005(17) 0.0427(7) Uani 1 1 d . . .
H19A H 0.3611 0.0773 -0.0100 0.064 Uiso 1 1 calc R . .
H19B H 0.3078 0.0776 -0.0985 0.064 Uiso 1 1 calc R . .
H19C H 0.2527 0.0461 -0.0242 0.064 Uiso 1 1 calc R . .
C20 C 0.38181(18) 0.27050(16) -0.04310(15) 0.0301(5) Uani 1 1 d . . .
C21 C 0.3662(2) 0.36394(18) -0.0320(2) 0.0517(8) Uani 1 1 d . . .
H21A H 0.3122 0.3746 -0.0677 0.078 Uiso 1 1 calc R . .
H21B H 0.4212 0.3985 -0.0461 0.078 Uiso 1 1 calc R . .
H21C H 0.3555 0.3775 0.0247 0.078 Uiso 1 1 calc R . .
C22 C 0.4680(2) 0.2564(3) 0.0149(2) 0.0643(11) Uani 1 1 d . . .
H22A H 0.4795 0.1980 0.0092 0.096 Uiso 1 1 calc R . .
H22B H 0.4563 0.2706 0.0712 0.096 Uiso 1 1 calc R . .
H22C H 0.5224 0.2917 0.0008 0.096 Uiso 1 1 calc R . .
C23 C 0.4054(3) 0.2523(2) -0.13272(19) 0.0545(9) Uani 1 1 d . . .
H23A H 0.3520 0.2605 -0.1704 0.082 Uiso 1 1 calc R . .
H23B H 0.4198 0.1948 -0.1399 0.082 Uiso 1 1 calc R . .
H23C H 0.4591 0.2903 -0.1440 0.082 Uiso 1 1 calc R . .
C24 C 0.15626(18) 0.20958(17) -0.07789(15) 0.0306(5) Uani 1 1 d . . .
C25 C 0.1651(2) 0.2154(2) -0.17055(17) 0.0479(8) Uani 1 1 d . . .
H25A H 0.2083 0.2639 -0.1793 0.072 Uiso 1 1 calc R . .
H25B H 0.1042 0.2209 -0.1983 0.072 Uiso 1 1 calc R . .
H25C H 0.1885 0.1650 -0.1924 0.072 Uiso 1 1 calc R . .
C26 C 0.0873(2) 0.1313(2) -0.0653(2) 0.0570(9) Uani 1 1 d . . .
H26A H 0.0812 0.1268 -0.0071 0.086 Uiso 1 1 calc R . .
H26B H 0.1111 0.0813 -0.0876 0.086 Uiso 1 1 calc R . .
H26C H 0.0265 0.1369 -0.0933 0.086 Uiso 1 1 calc R . .
C27 C 0.1129(2) 0.2874(2) -0.0451(2) 0.0509(8) Uani 1 1 d . . .
H27A H 0.1546 0.3376 -0.0515 0.076 Uiso 1 1 calc R . .
H27B H 0.1038 0.2828 0.0126 0.076 Uiso 1 1 calc R . .
H27C H 0.0530 0.2908 -0.0757 0.076 Uiso 1 1 calc R . .
C28 C 0.16064(19) 0.49181(17) 0.32042(15) 0.0325(5) Uani 1 1 d . . .
H28A H 0.1956 0.4749 0.3688 0.049 Uiso 1 1 calc R . .
H28B H 0.1000 0.4586 0.3123 0.049 Uiso 1 1 calc R . .
H28C H 0.1519 0.5508 0.3278 0.049 Uiso 1 1 calc R . .
C29 C 0.35060(18) 0.53873(15) 0.24891(17) 0.0311(5) Uani 1 1 d . . .
C30 C 0.3905(2) 0.51949(18) 0.33625(18) 0.0406(6) Uani 1 1 d . . .
H30A H 0.3938 0.4596 0.3384 0.061 Uiso 1 1 calc R . .
H30B H 0.3499 0.5378 0.3765 0.061 Uiso 1 1 calc R . .
H30C H 0.4528 0.5491 0.3483 0.061 Uiso 1 1 calc R . .
C31 C 0.3463(2) 0.63544(16) 0.2490(2) 0.0435(7) Uani 1 1 d . . .
H31A H 0.3039 0.6522 0.2883 0.065 Uiso 1 1 calc R . .
H31B H 0.3240 0.6499 0.1946 0.065 Uiso 1 1 calc R . .
H31C H 0.4083 0.6644 0.2640 0.065 Uiso 1 1 calc R . .
C32 C 0.4197(2) 0.51361(17) 0.1863(2) 0.0406(7) Uani 1 1 d . . .
H32A H 0.4229 0.4535 0.1854 0.061 Uiso 1 1 calc R . .
H32B H 0.4814 0.5428 0.2023 0.061 Uiso 1 1 calc R . .
H32C H 0.3980 0.5288 0.1321 0.061 Uiso 1 1 calc R . .
C33 C 0.15096(18) 0.51091(15) 0.13495(15) 0.0285(5) Uani 1 1 d . . .
C34 C 0.1139(2) 0.59646(18) 0.15741(19) 0.0426(7) Uani 1 1 d . . .
H34A H 0.1665 0.6392 0.1708 0.064 Uiso 1 1 calc R . .
H34B H 0.0774 0.5909 0.2044 0.064 Uiso 1 1 calc R . .
H34C H 0.0748 0.6124 0.1110 0.064 Uiso 1 1 calc R . .
C35 C 0.2046(2) 0.52014(19) 0.05686(16) 0.0393(6) Uani 1 1 d . . .
H35A H 0.2588 0.5615 0.0688 0.059 Uiso 1 1 calc R . .
H35B H 0.1636 0.5382 0.0129 0.059 Uiso 1 1 calc R . .
H35C H 0.2249 0.4665 0.0402 0.059 Uiso 1 1 calc R . .
C36 C 0.06453(19) 0.44458(18) 0.11429(16) 0.0361(6) Uani 1 1 d . . .
H36A H 0.0303 0.4381 0.1625 0.054 Uiso 1 1 calc R . .
H36B H 0.0853 0.3913 0.0973 0.054 Uiso 1 1 calc R . .
H36C H 0.0241 0.4630 0.0702 0.054 Uiso 1 1 calc R . .
C37 C 0.05779(17) 0.12814(15) 0.16782(15) 0.0276(5) Uani 1 1 d . . .
C38 C 0.04830(17) 0.27678(15) 0.24868(14) 0.0251(5) Uani 1 1 d . . .
C39 C -0.1243(2) 0.2412(2) 0.06480(18) 0.0475(7) Uani 1 1 d . . .
H39A H -0.0690 0.2686 0.0971 0.071 Uiso 1 1 calc R . .
H39B H -0.1478 0.2795 0.0264 0.071 Uiso 1 1 calc R . .
H39C H -0.1083 0.1916 0.0348 0.071 Uiso 1 1 calc R . .
C40 C -0.2787(2) 0.17580(18) 0.07402(17) 0.0363(6) Uani 1 1 d . . .
H40A H -0.2640 0.1253 0.0435 0.044 Uiso 1 1 calc R . .
H40B H -0.3037 0.2133 0.0345 0.044 Uiso 1 1 calc R . .
C41 C -0.3510(2) 0.15211(16) 0.13332(18) 0.0366(6) Uani 1 1 d . . .
H41A H -0.4074 0.1221 0.1034 0.044 Uiso 1 1 calc R . .
H41B H -0.3258 0.1152 0.1734 0.044 Uiso 1 1 calc R . .
C42 C -0.44890(19) 0.21298(18) 0.22736(17) 0.0361(6) Uani 1 1 d . . .
H42A H -0.4321 0.1741 0.2688 0.043 Uiso 1 1 calc R . .
H42B H -0.5061 0.1881 0.1948 0.043 Uiso 1 1 calc R . .
C43 C -0.46510(18) 0.29638(18) 0.26865(17) 0.0355(6) Uani 1 1 d . . .
H43A H -0.4738 0.3374 0.2273 0.043 Uiso 1 1 calc R . .
H43B H -0.5216 0.2897 0.2982 0.043 Uiso 1 1 calc R . .
C44 C -0.3928(2) 0.4063(2) 0.3633(2) 0.0446(7) Uani 1 1 d . . .
H44A H -0.3378 0.4236 0.4010 0.067 Uiso 1 1 calc R . .
H44B H -0.4483 0.4037 0.3932 0.067 Uiso 1 1 calc R . .
H44C H -0.3977 0.4466 0.3216 0.067 Uiso 1 1 calc R . .
C45 C -0.2278(3) 0.2788(2) 0.50099(19) 0.0519(8) Uani 1 1 d . . .
H45A H -0.2514 0.2241 0.4751 0.078 Uiso 1 1 calc R . .
H45B H -0.2799 0.3080 0.5168 0.078 Uiso 1 1 calc R . .
H45C H -0.1864 0.2720 0.5494 0.078 Uiso 1 1 calc R . .
C46 C -0.1410(2) 0.40827(18) 0.47903(17) 0.0364(6) Uani 1 1 d . . .
H46A H -0.0963 0.4034 0.5265 0.044 Uiso 1 1 calc R . .
H46B H -0.1923 0.4380 0.4977 0.044 Uiso 1 1 calc R . .
C47 C -0.09295(19) 0.45659(18) 0.41481(17) 0.0372(6) Uani 1 1 d . . .
H47A H -0.0638 0.5112 0.4389 0.045 Uiso 1 1 calc R . .
H47B H -0.0440 0.4255 0.3938 0.045 Uiso 1 1 calc R . .
C48 C -0.1235(2) 0.51187(17) 0.28343(19) 0.0408(7) Uani 1 1 d . . .
H48A H -0.0747 0.4815 0.2610 0.049 Uiso 1 1 calc R . .
H48B H -0.0954 0.5682 0.3037 0.049 Uiso 1 1 calc R . .
C49 C -0.2019(2) 0.51778(17) 0.2176(2) 0.0427(7) Uani 1 1 d . . .
H49A H -0.2520 0.5458 0.2408 0.051 Uiso 1 1 calc R . .
H49B H -0.1785 0.5507 0.1734 0.051 Uiso 1 1 calc R . .
C50 C -0.3193(2) 0.4334(2) 0.12935(18) 0.0469(7) Uani 1 1 d . . .
H50A H -0.3405 0.3760 0.1097 0.070 Uiso 1 1 calc R . .
H50B H -0.3044 0.4663 0.0833 0.070 Uiso 1 1 calc R . .
H50C H -0.3685 0.4570 0.1570 0.070 Uiso 1 1 calc R . .
C51 C -0.1314(2) 0.0983(2) 0.3128(3) 0.0582(9) Uani 1 1 d . . .
H51A H -0.0913 0.0891 0.3620 0.070 Uiso 1 1 calc R . .
H51B H -0.0950 0.1346 0.2780 0.070 Uiso 1 1 calc R . .
C52 C -0.1679(2) 0.0150(2) 0.2661(3) 0.0587(9) Uani 1 1 d . . .
H52A H -0.1264 -0.0281 0.2784 0.070 Uiso 1 1 calc R . .
H52B H -0.1735 0.0211 0.2068 0.070 Uiso 1 1 calc R . .
C53 C -0.2645(2) -0.00730(17) 0.29736(18) 0.0398(6) Uani 1 1 d . . .
H53A H -0.3139 -0.0136 0.2518 0.048 Uiso 1 1 calc R . .
H53B H -0.2663 -0.0596 0.3256 0.048 Uiso 1 1 calc R . .
C54 C -0.2768(2) 0.06706(17) 0.35707(17) 0.0376(6) Uani 1 1 d . . .
H54A H -0.3416 0.0808 0.3516 0.045 Uiso 1 1 calc R . .
H54B H -0.2610 0.0538 0.4139 0.045 Uiso 1 1 calc R . .
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
Co1 C38 1.718(2) . ?
Co1 C37 1.741(3) . ?
Co1 Si1 2.3935(7) . ?
Co1 Si3 2.4054(7) . ?
Co1 Si4 2.4082(7) . ?
Co1 Si2 2.4225(7) . ?
K1 O6 2.7490(18) . ?
K1 O8 2.7517(19) . ?
K1 O5 2.7583(19) . ?
K1 O9 2.7640(19) . ?
K1 O3 2.7966(19) . ?
K1 O4 2.8150(18) . ?
K1 O2 2.8168(18) . ?
K1 O7 2.9165(19) . ?
K1 C41 3.499(3) . ?
K1 C47 3.506(3) . ?
K1 C51 3.509(4) . ?
K1 C48 3.518(3) . ?
Si1 Si2 2.2570(9) . ?
Si1 Si4 2.3154(8) . ?
Si1 Si5 2.3721(9) . ?
Si2 Si3 2.3081(8) . ?
Si2 Si6 2.3735(9) . ?
Si3 Si4 2.2588(9) . ?
Si3 Si7 2.3740(9) . ?
Si4 Si8 2.3752(9) . ?
Si5 C1 1.889(3) . ?
Si5 C6 1.925(3) . ?
Si5 C2 1.934(3) . ?
Si6 C10 1.879(3) . ?
Si6 C11 1.930(3) . ?
Si6 C15 1.933(2) . ?
Si7 C19 1.887(3) . ?
Si7 C24 1.921(3) . ?
Si7 C20 1.931(3) . ?
Si8 C28 1.883(3) . ?
Si8 C29 1.926(3) . ?
Si8 C33 1.931(2) . ?
O1 C37 1.170(3) . ?
O2 C38 1.184(3) . ?
O3 C40 1.413(3) . ?
O3 C39 1.436(3) . ?
O4 C41 1.421(3) . ?
O4 C42 1.433(3) . ?
O5 C44 1.419(3) . ?
O5 C43 1.424(3) . ?
O6 C46 1.411(3) . ?
O6 C45 1.422(3) . ?
O7 C47 1.421(3) . ?
O7 C48 1.423(3) . ?
O8 C49 1.411(3) . ?
O8 C50 1.427(4) . ?
O9 C54 1.423(3) . ?
O9 C51 1.436(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.519(4) . ?
C2 C5 1.520(4) . ?
C2 C4 1.537(4) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C7 1.517(5) . ?
C6 C8 1.527(5) . ?
C6 C9 1.526(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.534(4) . ?
C11 C14 1.536(3) . ?
C11 C13 1.540(4) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C18 1.529(3) . ?
C15 C16 1.536(3) . ?
C15 C17 1.537(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.527(4) . ?
C20 C22 1.529(4) . ?
C20 C23 1.536(4) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.524(3) . ?
C24 C27 1.529(4) . ?
C24 C26 1.537(4) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C32 1.536(4) . ?
C29 C30 1.540(4) . ?
C29 C31 1.544(3) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C36 1.538(4) . ?
C33 C35 1.538(3) . ?
C33 C34 1.545(3) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 C41 1.500(4) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C43 1.499(4) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.496(4) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 C49 1.494(4) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C52 1.508(5) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 C53 1.521(4) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.519(4) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
