#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100216.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_2100216
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  346
_journal_page_last  356
_chemical_formula_moiety  'C24 H36 O5, 1/2(H2 O)'
_chemical_formula_sum  'C24 H37 O5.5'
_chemical_formula_weight  413.54
_symmetry_cell_setting  'Monoclinic'
_symmetry_space_group_name_H-M  'C 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z'
_cell_length_a  26.6049(4)
_cell_length_b  7.70440(10)
_cell_length_c  22.9126(3)
_cell_angle_alpha  90.00
_cell_angle_beta  93.4240(10)
_cell_angle_gamma  90.00
_cell_volume  4688.10(10)
_cell_formula_units_Z  8
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  1.172
_diffrn_ambient_temperature  295
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  O25A 0.71735(10) 0.8309(6) 0.54387(13) 0.0830(8) Uani d . 1 . . O
  O29A 0.87669(12) 1.2413(5) 0.67907(14) 0.0822(8) Uani d . 1 . . O
  O26A 0.90450(9) 0.5944(5) 0.71548(10) 0.0573(6) Uani d . 1 . . O
  H26A 0.8893(14) 0.509(6) 0.7055(16) 0.055(10) Uiso d . 1 . . H
  O27A 1.17998(13) 0.7213(8) 0.8870(2) 0.1363(18) Uani d . 1 . . O
  O28A 1.12331(11) 0.9015(6) 0.84937(15) 0.0887(9) Uani d . 1 . . O
  H28A 1.1560(18) 0.987(7) 0.8418(19) 0.090(14) Uiso d . 1 . . H
  C1A 0.84182(14) 0.7208(7) 0.52203(14) 0.0645(9) Uani d . 1 . . C
  H11 0.8315 0.7471 0.4817 0.077 Uiso calc R 1 . . H
  H12 0.8634 0.6193 0.5221 0.077 Uiso calc R 1 . . H
  C2A 0.79504(14) 0.6771(6) 0.55480(14) 0.0616(8) Uani d . 1 . . C
  H21 0.7765 0.5839 0.5349 0.074 Uiso calc R 1 . . H
  H22 0.8050 0.6383 0.5941 0.074 Uiso calc R 1 . . H
  C3A 0.76230(14) 0.8342(6) 0.55755(14) 0.0609(8) Uani d . 1 . . C
  C4A 0.78788(14) 0.9980(6) 0.57845(15) 0.0629(8) Uani d . 1 . . C
  H41 0.7953 0.9900 0.6203 0.075 Uiso calc R 1 . . H
  H42 0.7650 1.0947 0.5713 0.075 Uiso calc R 1 . . H
  C5A 0.83735(15) 1.0350(6) 0.54837(16) 0.0661(9) Uani d . 1 . . C
  H5A 0.8282 1.0650 0.5075 0.079 Uiso calc R 1 . . H
  C6A 0.86248(17) 1.1946(7) 0.5771(2) 0.0791(11) Uani d . 1 . . C
  H61 0.8882 1.2374 0.5524 0.095 Uiso calc R 1 . . H
  H62 0.8375 1.2854 0.5803 0.095 Uiso calc R 1 . . H
  C7A 0.88624(14) 1.1545(6) 0.63717(18) 0.0648(9) Uani d . 1 . . C
  C8A 0.92068(12) 0.9967(6) 0.64061(15) 0.0550(7) Uani d . 1 . . C
  H8A 0.9499 1.0227 0.6181 0.066 Uiso calc R 1 . . H
  C9A 0.89325(12) 0.8367(6) 0.61178(13) 0.0504(7) Uani d . 1 . . C
  H9A 0.8638 0.8147 0.6345 0.060 Uiso calc R 1 . . H
  C10A 0.87253(13) 0.8750(6) 0.54801(14) 0.0602(8) Uani d . 1 . . C
  C11A 0.92572(13) 0.6740(6) 0.61732(13) 0.0555(7) Uani d . 1 . . C
  H111 0.9543 0.6878 0.5933 0.067 Uiso calc R 1 . . H
  H112 0.9062 0.5759 0.6022 0.067 Uiso calc R 1 . . H
  C12A 0.94521(11) 0.6337(5) 0.68030(13) 0.0497(7) Uani d . 1 . . C
  H12A 0.9678 0.5332 0.6799 0.060 Uiso calc R 1 . . H
  C13A 0.97458(11) 0.7899(6) 0.70680(13) 0.0507(7) Uani d . 1 . . C
  C14A 0.93992(12) 0.9514(6) 0.70249(14) 0.0520(7) Uani d . 1 . . C
  H14A 0.9103 0.9240 0.7242 0.062 Uiso calc R 1 . . H
  C15A 0.97004(13) 1.0877(6) 0.73818(17) 0.0652(9) Uani d . 1 . . C
  H151 0.9480 1.1749 0.7533 0.078 Uiso calc R 1 . . H
  H152 0.9944 1.1444 0.7147 0.078 Uiso calc R 1 . . H
  C16A 0.99655(14) 0.9827(7) 0.78814(18) 0.0704(10) Uani d . 1 . . C
  H161 0.9826 1.0116 0.8251 0.084 Uiso calc R 1 . . H
  H162 1.0323 1.0089 0.7911 0.084 Uiso calc R 1 . . H
  C17A 0.98808(12) 0.7875(6) 0.77406(14) 0.0553(8) Uani d . 1 . . C
  H17A 0.9578 0.7510 0.7932 0.066 Uiso calc R 1 . . H
  C18A 1.02287(13) 0.8153(7) 0.67385(16) 0.0645(9) Uani d . 1 . . C
  H181 1.0142 0.8606 0.6355 0.077 Uiso calc R 1 . . H
  H182 1.0397 0.7057 0.6705 0.077 Uiso calc R 1 . . H
  H183 1.0448 0.8953 0.6950 0.077 Uiso calc R 1 . . H
  C19A 0.91518(18) 0.9088(9) 0.50690(18) 0.0894(14) Uani d . 1 . . C
  H191 0.9333 0.8030 0.5012 0.107 Uiso calc R 1 . . H
  H192 0.9377 0.9947 0.5239 0.107 Uiso calc R 1 . . H
  H193 0.9011 0.9500 0.4699 0.107 Uiso calc R 1 . . H
  C20A 1.03174(13) 0.6706(6) 0.79757(16) 0.0620(9) Uani d . 1 . . C
  H20A 1.0622 0.7058 0.7787 0.074 Uiso calc R 1 . . H
  C21A 1.02227(16) 0.4806(7) 0.7841(2) 0.0789(11) Uani d . 1 . . C
  H211 0.9890 0.4499 0.7944 0.095 Uiso calc R 1 . . H
  H212 1.0465 0.4111 0.8062 0.095 Uiso calc R 1 . . H
  H213 1.0253 0.4605 0.7431 0.095 Uiso calc R 1 . . H
  C22A 1.04146(14) 0.6943(8) 0.86397(16) 0.0765(12) Uani d . 1 . . C
  H221 1.0372 0.8158 0.8736 0.092 Uiso calc R 1 . . H
  H222 1.0166 0.6284 0.8839 0.092 Uiso calc R 1 . . H
  C23A 1.09407(15) 0.6360(8) 0.88655(19) 0.0856(13) Uani d . 1 . . C
  H231 1.0937 0.6200 0.9285 0.103 Uiso calc R 1 . . H
  H232 1.1006 0.5235 0.8696 0.103 Uiso calc R 1 . . H
  C24A 1.13695(15) 0.7526(8) 0.87483(16) 0.0767(12) Uani d . 1 . . C
  O25B 0.81557(13) 0.1645(6) 1.03524(10) 0.0935(10) Uani d . 1 . . O
  O29B 0.78136(12) 0.1223(5) 0.78345(13) 0.0834(9) Uani d . 1 . . O
  O26B 0.68402(8) 0.6650 0.84201(10) 0.0597(6) Uani d . 1 . . O
  H26B 0.6839(17) 0.698(7) 0.876(2) 0.087(14) Uiso d . 1 . . H
  O27B 0.5588(3) 0.907(2) 0.5041(5) 0.080(4) Uani d P 0.50 . . O
  O28B 0.5156(6) 0.842(3) 0.5780(6) 0.108(7) Uani d P 0.50 . . O
  O27C 0.5576(10) 0.844(6) 0.5087(11) 0.147(14) Uani d P 0.30 . . O
  O28C 0.5165(10) 0.912(6) 0.5778(10) 0.147(16) Uani d P 0.30 . . O
  O27D 0.5345(8) 0.7518(19) 0.5468(11) 0.072(4) Uani d P 0.20 . . O
  O28D 0.5377(8) 1.033(2) 0.5364(11) 0.089(6) Uani d P 0.20 . . O
  C1B 0.83391(14) 0.5449(7) 0.95892(13) 0.0662(9) Uani d . 1 . . C
  H13 0.8666 0.5385 0.9801 0.079 Uiso calc R 1 . . H
  H14 0.8236 0.6657 0.9581 0.079 Uiso calc R 1 . . H
  C2B 0.79614(16) 0.4410(7) 0.99243(14) 0.0710(10) Uani d . 1 . . C
  H23 0.7966 0.4813 1.0326 0.085 Uiso calc R 1 . . H
  H24 0.7625 0.4584 0.9748 0.085 Uiso calc R 1 . . H
  C3B 0.80917(14) 0.2522(7) 0.99136(14) 0.0661(10) Uani d . 1 . . C
  C4B 0.81642(14) 0.1795(6) 0.93172(13) 0.0631(9) Uani d . 1 . . C
  H43 0.7841 0.1747 0.9098 0.076 Uiso calc R 1 . . H
  H44 0.8292 0.0618 0.9356 0.076 Uiso calc R 1 . . H
  C5B 0.85316(13) 0.2885(6) 0.89765(13) 0.0570(8) Uani d . 1 . . C
  H5B 0.8865 0.2780 0.9180 0.068 Uiso calc R 1 . . H
  C6B 0.85692(14) 0.2117(7) 0.83611(14) 0.0651(9) Uani d . 1 . . C
  H63 0.8841 0.2670 0.8168 0.078 Uiso calc R 1 . . H
  H64 0.8639 0.0883 0.8388 0.078 Uiso calc R 1 . . H
  C7B 0.80769(14) 0.2416(6) 0.80140(13) 0.0584(8) Uani d . 1 . . C
  C8B 0.79308(12) 0.4295(6) 0.79423(12) 0.0476(7) Uani d . 1 . . C
  H8B 0.8194 0.4891 0.7737 0.057 Uiso calc R 1 . . H
  C9B 0.79078(11) 0.5117(6) 0.85616(11) 0.0458(6) Uani d . 1 . . C
  H9B 0.7638 0.4515 0.8753 0.055 Uiso calc R 1 . . H
  C10B 0.83964(12) 0.4836(6) 0.89541(13) 0.0547(8) Uani d . 1 . . C
  C11B 0.77493(11) 0.7039(6) 0.85085(13) 0.0493(7) Uiso d . 1 . . C
  H113 0.7709 0.7494 0.8897 0.059 Uiso calc R 1 . . H
  H114 0.8018 0.7686 0.8341 0.059 Uiso calc R 1 . . H
  C12B 0.72641(11) 0.7350(6) 0.81368(11) 0.0476(6) Uani d . 1 . . C
  H12B 0.7216 0.8603 0.8088 0.057 Uiso calc R 1 . . H
  C13B 0.72889(11) 0.6514(5) 0.75274(11) 0.0454(6) Uani d . 1 . . C
  C14B 0.74245(12) 0.4579(5) 0.75987(12) 0.0472(7) Uani d . 1 . . C
  H14B 0.7164 0.4042 0.7824 0.057 Uiso calc R 1 . . H
  C15B 0.73579(12) 0.3880(6) 0.69761(14) 0.0580(8) Uiso d . 1 . . C
  H153 0.7292 0.2642 0.6976 0.070 Uiso calc R 1 . . H
  H154 0.7655 0.4103 0.6762 0.070 Uiso calc R 1 . . H
  C16B 0.68977(14) 0.4896(6) 0.67085(14) 0.0615(8) Uani d . 1 . . C
  H163 0.6608 0.4136 0.6658 0.074 Uiso calc R 1 . . H
  H164 0.6971 0.5365 0.6330 0.074 Uiso calc R 1 . . H
  C17B 0.67878(12) 0.6396(6) 0.71401(12) 0.0504(7) Uani d . 1 . . C
  H17B 0.6526 0.5988 0.7390 0.061 Uiso calc R 1 . . H
  C18B 0.76843(11) 0.7501(6) 0.71953(13) 0.0514(7) Uiso d . 1 . . C
  H184 0.8014 0.7271 0.7373 0.062 Uiso calc R 1 . . H
  H185 0.7617 0.8724 0.7210 0.062 Uiso calc R 1 . . H
  H186 0.7670 0.7125 0.6795 0.062 Uiso calc R 1 . . H
  C19B 0.88391(13) 0.5870(8) 0.87227(18) 0.0772(11) Uani d . 1 . . C
  H194 0.8780 0.7090 0.8770 0.093 Uiso calc R 1 . . H
  H195 0.8867 0.5615 0.8316 0.093 Uiso calc R 1 . . H
  H196 0.9146 0.5549 0.8938 0.093 Uiso calc R 1 . . H
  C20B 0.65890(12) 0.8047(6) 0.68308(13) 0.0544(7) Uani d . 1 . . C
  H20B 0.6848 0.8428 0.6572 0.065 Uiso calc R 1 . . H
  C21B 0.65027(16) 0.9546(7) 0.72504(18) 0.0756(11) Uani d . 1 . . C
  H214 0.6368 1.0524 0.7034 0.091 Uiso calc R 1 . . H
  H215 0.6817 0.9864 0.7450 0.091 Uiso calc R 1 . . H
  H216 0.6269 0.9190 0.7531 0.091 Uiso calc R 1 . . H
  C22B 0.61068(13) 0.7674(6) 0.64388(14) 0.0613(8) Uani d . 1 . . C
  H223 0.6141 0.6566 0.6244 0.074 Uiso calc R 1 . . H
  H224 0.5820 0.7599 0.6680 0.074 Uiso calc R 1 . . H
  C23B 0.60136(13) 0.9091(7) 0.59837(16) 0.0681(10) Uani d . 1 . . C
  H233 0.5982 1.0188 0.6186 0.082 Uiso calc R 1 . . H
  H234 0.6308 0.9171 0.5754 0.082 Uiso calc R 1 . . H
  C24B 0.55608(13) 0.8864(6) 0.55739(14) 0.0571(8) Uani d . 1 . . C
  O1 0.4479(8) 0.672(4) 0.0573(9) 0.361(10) Uiso d P 0.70 . . O
  O2 0.5000 0.909(5) 0.0000 0.325(14) Uiso d SP 0.60 . . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  O25A 0.0679(15) 0.094(2) 0.0856(17) -0.0018(16) -0.0080(12) -0.0032(17)
  O29A 0.0932(19) 0.0527(14) 0.099(2) 0.0052(14) -0.0075(15) -0.0146(15)
  O26A 0.0587(12) 0.0521(13) 0.0604(13) -0.0151(12) -0.0024(10) -0.0048(11)
  O27A 0.0689(19) 0.149(4) 0.187(4) -0.010(2) -0.021(2) 0.080(4)
  O28A 0.0669(16) 0.085(2) 0.111(2) -0.0206(16) -0.0203(15) 0.0204(19)
  C1A 0.078(2) 0.072(2) 0.0424(15) 0.0096(19) -0.0069(14) -0.0061(16)
  C2A 0.075(2) 0.059(2) 0.0498(16) -0.0042(18) -0.0112(14) -0.0072(16)
  C3A 0.069(2) 0.067(2) 0.0457(15) 0.0003(18) -0.0035(13) 0.0016(16)
  C4A 0.072(2) 0.057(2) 0.0586(18) 0.0088(17) -0.0070(15) 0.0015(16)
  C5A 0.082(2) 0.060(2) 0.0553(18) 0.0010(19) -0.0048(16) 0.0150(17)
  C6A 0.088(3) 0.053(2) 0.094(3) -0.003(2) -0.006(2) 0.020(2)
  C7A 0.067(2) 0.0454(18) 0.081(2) -0.0097(16) -0.0022(17) 0.0031(19)
  C8A 0.0543(17) 0.0470(17) 0.0636(18) -0.0076(14) 0.0026(13) 0.0012(15)
  C9A 0.0566(16) 0.0453(16) 0.0489(15) -0.0035(14) 0.0014(12) -0.0036(13)
  C10A 0.0687(19) 0.064(2) 0.0480(15) 0.0006(18) 0.0048(14) 0.0065(16)
  C11A 0.0598(17) 0.0541(18) 0.0515(16) -0.0007(15) -0.0049(13) -0.0091(15)
  C12A 0.0519(15) 0.0423(16) 0.0544(16) -0.0039(13) -0.0026(12) -0.0057(14)
  C13A 0.0440(14) 0.0526(18) 0.0552(16) -0.0079(13) -0.0008(12) -0.0077(14)
  C14A 0.0519(16) 0.0452(16) 0.0585(17) -0.0075(14) -0.0003(13) -0.0056(14)
  C15A 0.0619(19) 0.057(2) 0.076(2) -0.0107(17) -0.0015(16) -0.0156(18)
  C16A 0.062(2) 0.070(2) 0.077(2) -0.0123(19) -0.0089(17) -0.022(2)
  C17A 0.0483(15) 0.063(2) 0.0544(16) -0.0133(15) -0.0029(12) -0.0083(15)
  C18A 0.0549(17) 0.069(2) 0.070(2) -0.0054(17) 0.0091(14) -0.0024(18)
  C19A 0.097(3) 0.114(4) 0.060(2) 0.000(3) 0.0176(19) 0.017(2)
  C20A 0.0522(17) 0.065(2) 0.0678(19) -0.0128(17) -0.0097(14) -0.0011(18)
  C21A 0.073(2) 0.064(2) 0.097(3) -0.008(2) -0.019(2) 0.004(2)
  C22A 0.066(2) 0.094(3) 0.068(2) -0.027(2) -0.0110(16) 0.010(2)
  C23A 0.083(3) 0.094(3) 0.076(2) -0.024(2) -0.0242(19) 0.022(2)
  C24A 0.067(2) 0.100(3) 0.0610(19) -0.016(2) -0.0180(16) 0.011(2)
  O25B 0.124(2) 0.111(3) 0.0462(12) 0.006(2) 0.0100(13) 0.0242(16)
  O29B 0.118(2) 0.0484(15) 0.0805(17) -0.0013(16) -0.0200(16) -0.0053(13)
  O26B 0.0638(13) 0.0738(16) 0.0421(11) -0.0141(12) 0.0073(9) -0.0101(12)
  O27B 0.041(3) 0.148(10) 0.052(5) -0.011(5) -0.002(3) 0.024(6)
  O28B 0.067(7) 0.188(15) 0.069(9) -0.035(8) -0.004(6) 0.064(11)
  O27C 0.124(16) 0.24(3) 0.075(14) 0.072(18) 0.012(11) -0.079(18)
  O28C 0.065(12) 0.30(4) 0.070(15) 0.043(18) -0.009(10) -0.08(2)
  O27D 0.081(10) 0.051(8) 0.079(11) 0.013(7) -0.025(9) -0.015(8)
  O28D 0.087(11) 0.064(9) 0.109(13) -0.012(8) -0.053(11) 0.030(10)
  C1B 0.080(2) 0.072(2) 0.0438(15) -0.007(2) -0.0165(14) -0.0056(16)
  C2B 0.085(2) 0.089(3) 0.0392(15) 0.005(2) 0.0020(15) -0.0032(17)
  C3B 0.0657(19) 0.089(3) 0.0436(15) -0.006(2) 0.0034(13) 0.0104(18)
  C4B 0.081(2) 0.064(2) 0.0444(15) -0.0014(19) 0.0014(14) 0.0084(16)
  C5B 0.0577(17) 0.069(2) 0.0436(15) 0.0041(17) -0.0015(12) 0.0071(15)
  C6B 0.074(2) 0.072(2) 0.0490(16) 0.0137(19) 0.0038(14) 0.0045(16)
  C7B 0.080(2) 0.0560(19) 0.0393(14) 0.0049(18) 0.0019(13) -0.0022(15)
  C8B 0.0558(16) 0.0504(17) 0.0363(13) -0.0063(14) 0.0009(11) 0.0009(12)
  C9B 0.0534(15) 0.0497(16) 0.0337(12) -0.0129(13) -0.0027(10) 0.0007(12)
  C10B 0.0567(17) 0.066(2) 0.0408(14) -0.0133(16) -0.0063(12) 0.0011(14)
  C12B 0.0572(15) 0.0477(16) 0.0379(12) -0.0091(14) 0.0010(11) -0.0062(12)
  C13B 0.0542(15) 0.0468(16) 0.0347(12) -0.0061(13) -0.0012(10) -0.0035(12)
  C14B 0.0589(16) 0.0452(16) 0.0367(13) -0.0081(14) -0.0053(11) -0.0050(12)
  C16B 0.078(2) 0.057(2) 0.0468(15) -0.0037(18) -0.0125(14) -0.0087(15)
  C17B 0.0592(16) 0.0516(18) 0.0399(13) -0.0060(14) -0.0018(12) -0.0040(13)
  C19B 0.0590(19) 0.096(3) 0.075(2) -0.024(2) -0.0073(16) 0.013(2)
  C20B 0.0559(16) 0.0613(19) 0.0454(15) 0.0032(16) -0.0024(12) 0.0003(14)
  C21B 0.083(2) 0.070(2) 0.071(2) 0.013(2) -0.0159(18) -0.014(2)
  C22B 0.0645(18) 0.067(2) 0.0510(16) 0.0007(17) -0.0082(14) -0.0007(16)
  C23B 0.0621(19) 0.079(3) 0.0616(18) 0.0030(19) -0.0124(15) 0.0070(19)
  C24B 0.0545(18) 0.062(2) 0.0546(18) 0.0093(18) -0.0004(14) 0.0035(18)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  O25A C3A . 1.218(4) ?
  O29A C7A . 1.209(5) ?
  O26A C12A . 1.421(4) ?
  O26A H26A . 0.80(4) ?
  O27A C24A . 1.187(5) ?
  O28A C24A . 1.327(6) ?
  O28A H28A . 1.11(5) ?
  C1A C2A . 1.529(5) ?
  C1A C10A . 1.541(5) ?
  C1A H11 . 0.9700 ?
  C1A H12 . 0.9700 ?
  C2A C3A . 1.495(5) ?
  C2A H21 . 0.9700 ?
  C2A H22 . 0.9700 ?
  C3A C4A . 1.499(6) ?
  C4A C5A . 1.548(5) ?
  C4A H41 . 0.9700 ?
  C4A H42 . 0.9700 ?
  C5A C6A . 1.529(6) ?
  C5A C10A . 1.548(5) ?
  C5A H5A . 0.9800 ?
  C6A C7A . 1.513(6) ?
  C6A H61 . 0.9700 ?
  C6A H62 . 0.9700 ?
  C7A C8A . 1.522(5) ?
  C8A C14A . 1.519(5) ?
  C8A C9A . 1.559(4) ?
  C8A H8A . 0.9800 ?
  C9A C11A . 1.523(5) ?
  C9A C10A . 1.559(4) ?
  C9A H9A . 0.9800 ?
  C10A C19A . 1.540(5) ?
  C11A C12A . 1.536(4) ?
  C11A H111 . 0.9700 ?
  C11A H112 . 0.9700 ?
  C12A C13A . 1.540(4) ?
  C12A H12A . 0.9800 ?
  C13A C18A . 1.541(4) ?
  C13A C14A . 1.549(5) ?
  C13A C17A . 1.562(4) ?
  C14A C15A . 1.528(5) ?
  C14A H14A . 0.9800 ?
  C15A C16A . 1.538(6) ?
  C15A H151 . 0.9700 ?
  C15A H152 . 0.9700 ?
  C16A C17A . 1.551(5) ?
  C16A H161 . 0.9700 ?
  C16A H162 . 0.9700 ?
  C17A C20A . 1.541(5) ?
  C17A H17A . 0.9800 ?
  C18A H181 . 0.9600 ?
  C18A H182 . 0.9600 ?
  C18A H183 . 0.9600 ?
  C19A H191 . 0.9600 ?
  C19A H192 . 0.9600 ?
  C19A H193 . 0.9600 ?
  C20A C21A . 1.513(6) ?
  C20A C22A . 1.539(5) ?
  C20A H20A . 0.9800 ?
  C21A H211 . 0.9600 ?
  C21A H212 . 0.9600 ?
  C21A H213 . 0.9600 ?
  C22A C23A . 1.530(6) ?
  C22A H221 . 0.9700 ?
  C22A H222 . 0.9700 ?
  C23A C24A . 1.489(6) ?
  C23A H231 . 0.9700 ?
  C23A H232 . 0.9700 ?
  O25B C3B . 1.215(5) ?
  O29B C7B . 1.212(5) ?
  O26B C12B . 1.439(4) ?
  O26B H26B . 0.83(5) ?
  O27B O27C . 0.50(5) ?
  O27B C24B . 1.239(11) ?
  O27B O28D . 1.36(3) ?
  O27B O27D . 1.70(3) ?
  O28B O28C . 0.54(5) ?
  O28B O27D . 1.14(2) ?
  O28B C24B . 1.249(13) ?
  O27C C24B . 1.17(2) ?
  O27C O27D . 1.31(4) ?
  O27C O28D . 1.69(3) ?
  O28C C24B . 1.19(2) ?
  O28C O28D . 1.47(4) ?
  O28C O27D . 1.52(3) ?
  O27D C24B . 1.203(15) ?
  O28D C24B . 1.309(16) ?
  C1B C2B . 1.527(6) ?
  C1B C10B . 1.546(4) ?
  C1B H13 . 0.9700 ?
  C1B H14 . 0.9700 ?
  C2B C3B . 1.496(7) ?
  C2B H23 . 0.9700 ?
  C2B H24 . 0.9700 ?
  C3B C4B . 1.500(5) ?
  C4B C5B . 1.536(5) ?
  C4B H43 . 0.9700 ?
  C4B H44 . 0.9700 ?
  C5B C6B . 1.538(5) ?
  C5B C10B . 1.546(5) ?
  C5B H5B . 0.9800 ?
  C6B C7B . 1.509(5) ?
  C6B H63 . 0.9700 ?
  C6B H64 . 0.9700 ?
  C7B C8B . 1.506(5) ?
  C8B C14B . 1.535(4) ?
  C8B C9B . 1.558(4) ?
  C8B H8B . 0.9800 ?
  C9B C11B . 1.542(5) ?
  C9B C10B . 1.551(4) ?
  C9B H9B . 0.9800 ?
  C10B C19B . 1.542(5) ?
  C11B C12B . 1.522(4) ?
  C11B H113 . 0.9700 ?
  C11B H114 . 0.9700 ?
  C12B C13B . 1.542(4) ?
  C12B H12B . 0.9800 ?
  C13B C18B . 1.536(4) ?
  C13B C14B . 1.540(4) ?
  C13B C17B . 1.560(4) ?
  C14B C15B . 1.525(4) ?
  C14B H14B . 0.9800 ?
  C15B C16B . 1.548(5) ?
  C15B H153 . 0.9700 ?
  C15B H154 . 0.9700 ?
  C16B C17B . 1.560(5) ?
  C16B H163 . 0.9700 ?
  C16B H164 . 0.9700 ?
  C17B C20B . 1.535(5) ?
  C17B H17B . 0.9800 ?
  C18B H184 . 0.9600 ?
  C18B H185 . 0.9600 ?
  C18B H186 . 0.9600 ?
  C19B H194 . 0.9600 ?
  C19B H195 . 0.9600 ?
  C19B H196 . 0.9600 ?
  C20B C21B . 1.528(5) ?
  C20B C22B . 1.548(4) ?
  C20B H20B . 0.9800 ?
  C21B H214 . 0.9600 ?
  C21B H215 . 0.9600 ?
  C21B H216 . 0.9600 ?
  C22B C23B . 1.520(5) ?
  C22B H223 . 0.9700 ?
  C22B H224 . 0.9700 ?
  C23B C24B . 1.493(4) ?
  C23B H233 . 0.9700 ?
  C23B H234 . 0.9700 ?