data_2006402
_journal_name_full  'Acta Crystallographica'
_journal_year  1997
_journal_volume  C53
_journal_page_first  1107
_journal_page_last  1111
_publ_section_title
;
(1RS,3SR,4RS,5RS,7SR,9SR)-4,7-Diacetyl-9-hydroxy-1,3,5,9-tetramethyl
-2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane: a Tricyclic System Formed
Under Cathodic Conditions
;
loop_
_publ_author_name
 'Raabe, Gerhard'
 'Hall, Sydney R.' .
 'Thomas, Hans G\"unter' .
 'Wellen, Ulrich' .
 'Simons, Josef' .
_chemical_formula_moiety  'C14 H20 O6'
_chemical_formula_sum  'C14 H20 O6'
_chemical_formula_structural  '(C6 H O3) (CH3)4 (COCH3)2 (OH)'
_chemical_formula_analytical  'C14 H20 O6'
_chemical_formula_weight  284.3
_chemical_melting_point  411
_symmetry_cell_setting  'monoclinic'
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  -P_2yn
loop_
_symmetry_equiv_pos_as_xyz
 +x,+y,+z
 1/2-x,1/2+y,1/2-z
 -x,-y,-z
 1/2+x,1/2-y,1/2+z
_cell_length_a  8.6760(10)
_cell_length_b  44.948(2)
_cell_length_c  22.143(2)
_cell_angle_alpha  90.00000
_cell_angle_beta  99.369(5)
_cell_angle_gamma  90.00000
_cell_volume  8520.0(10)
_cell_formula_units_Z  24
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.33
_diffrn_ambient_temperature  293
_refine_ls_R_factor_obs  .059
_refine_ls_wR_factor_obs  .067
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
 C1a -.2463(5) .38134(9) .9018(2) .077(3) Uani ? ?
 C1b -.1877(5) .55179(9) .8143(2) .079(3) Uani ? ?
 C1c -.1199(6) .72617(11) .7273(2) .095(3) Uani ? ?
 C1d .3248(6) .60971(11) .3025(2) .093(3) Uani ? ?
 C1e .7304(6) .55187(10) .6066(2) .090(3) Uani ? ?
 C1f .7909(5) .70603(11) .5180(2) .096(3) Uani ? ?
 C2a -.1081(4) .39697(8) .88461(18) .051(2) Uani ? ?
 C2b -.0505(4) .56748(8) .79657(18) .053(2) Uani ? ?
 C2c .0013(5) .74677(10) .7113(2) .065(3) Uani ? ?
 C2d .4399(4) .58648(9) .29013(18) .060(2) Uani ? ?
 C2e .6123(4) .57446(9) .61918(19) .063(3) Uani ? ?
 C2f .6658(4) .72507(9) .53525(19) .057(2) Uani ? ?
 C3a -.0221(4) .41875(7) .93082(16) .046(2) Uani ? ?
 C3b .0352(4) .58923(8) .84286(16) .048(2) Uani ? ?
 C3c .0886(4) .76587(8) .76251(15) .051(2) Uani ? ?
 C3d .5252(4) .56925(8) .34457(15) .049(2) Uani ? ?
 C3e .5236(4) .59144(8) .56446(16) .050(2) Uani ? ?
 C3f .5837(4) .74618(8) .48652(16) .049(2) Uani ? ?
 C4a .0121(4) .44902(7) .90359(17) .048(2) Uani ? ?
 C4b .0654(4) .62005(8) .81521(16) .050(2) Uani ? ?
 C4c .1236(4) .79772(8) .74175(16) .051(2) Uani ? ?
 C4d .5609(4) .53661(8) .32938(16) .049(2) Uani ? ?
 C4e .4897(4) .62406(8) .57895(16) .049(2) Uani ? ?
 C4f .5530(4) .77742(8) .51060(17) .052(2) Uani ? ?
 C5a -.1199(4) .46279(9) .8612(2) .068(3) Uani ? ?
 C5b -.0700(4) .63375(9) .77417(18) .066(2) Uani ? ?
 C5c -.0101(4) .81451(9) .70457(19) .069(3) Uani ? ?
 C5d .4276(4) .51863(9) .29565(18) .066(2) Uani ? ?
 C5e .6231(4) .64200(9) .61255(18) .066(2) Uani ? ?
 C5f .6865(4) .79182(9) .5521(2) .074(3) Uani ? ?
 C6a .2060(4) .45575(7) .98179(15) .046(2) Uani ? ?
 C6b .2602(4) .62724(8) .89272(16) .050(2) Uani ? ?
 C6c .3259(4) .80038(7) .81806(16) .048(2) Uani ? ?
 C6d .7619(4) .53673(7) .40615(16) .046(2) Uani ? ?
 C6e .2859(4) .62357(8) .50294(16) .048(2) Uani ? ?
 C6f .3580(4) .78314(8) .43153(17) .051(2) Uani ? ?
 C7a .2979(5) .47830(8) 1.02296(17) .063(2) Uani ? ?
 C7b .3520(5) .65002(8) .93315(17) .063(2) Uani ? ?
 C7c .4252(4) .82054(8) .86060(17) .061(2) Uani ? ?
 C7d .8642(5) .51847(8) .45290(18) .066(2) Uani ? ?
 C7e .1851(4) .64163(8) .45575(17) .061(2) Uani ? ?
 C7f .2677(5) .80516(8) .38890(19) .068(3) Uani ? ?
 C8a .4220(4) .45594(7) .91099(16) .048(2) Uani ? ?
 C8b .4740(4) .62810(8) .82077(17) .052(2) Uani ? ?
 C8c .5314(5) .80294(9) .74292(18) .061(2) Uani ? ?
 C8d .9673(4) .53035(9) .3312(2) .063(2) Uani ? ?
 C8e .0825(5) .63074(9) .57820(18) .064(2) Uani ? ?
 C8f .1418(4) .78561(8) .50233(17) .053(2) Uani ? ?
 C9a .4130(5) .47599(9) .85798(19) .068(3) Uani ? ?
 C9b .4635(5) .64736(10) .7659(2) .084(3) Uani ? ?
 C9c .5210(6) .82326(12) .6903(3) .111(4) Uani ? ?
 C9d .9569(5) .50713(10) .2847(2) .092(3) Uani ? ?
 C9e .0937(5) .65227(10) .6287(2) .081(3) Uani ? ?
 C9f .1492(5) .80654(9) .55345(19) .072(3) Uani ? ?
 C10a .2717(4) .44211(7) .92510(15) .0419(18) Uani ? ?
 C10b .3255(4) .61369(7) .83533(15) .0447(19) Uani ? ?
 C10c .3828(4) .78936(8) .75707(15) .049(2) Uani ? ?
 C10d .8181(4) .54506(8) .34380(16) .048(2) Uani ? ?
 C10e .2307(4) .61591(8) .56604(16) .052(2) Uani ? ?
 C10f .2916(4) .77113(7) .49016(15) .0458(19) Uani ? ?
 C11a .1321(4) .40724(7) .97130(15) .0442(19) Uani ? ?
 C11b .1898(4) .57838(7) .88274(15) .045(2) Uani ? ?
 C11c .2433(4) .75262(8) .79897(15) .049(2) Uani ? ?
 C11d .6803(4) .58365(8) .37944(15) .047(2) Uani ? ?
 C11e .3689(4) .57691(8) .53099(16) .051(2) Uani ? ?
 C11f .4289(4) .73460(7) .44713(15) .047(2) Uani ? ?
 C12a .1123(4) .37852(8) 1.00455(16) .056(2) Uani ? ?
 C12b .1731(4) .54985(8) .91605(17) .059(2) Uani ? ?
 C12c .2245(5) .72268(8) .82807(18) .065(2) Uani ? ?
 C12d .6611(4) .61465(8) .40292(17) .059(2) Uani ? ?
 C12e .3874(5) .54589(9) .50787(17) .063(2) Uani ? ?
 C12f .4454(4) .70511(8) .41605(17) .058(2) Uani ? ?
 C13a .2776(4) .40849(7) .93872(14) .0413(18) Uani ? ?
 C13b .3341(4) .58019(7) .84934(15) .0439(18) Uani ? ?
 C13c .3851(4) .75520(8) .76447(16) .051(2) Uani ? ?
 C13d .8188(4) .57929(8) .34490(16) .051(2) Uani ? ?
 C13e .2291(4) .58158(9) .56524(16) .056(2) Uani ? ?
 C13f .2856(4) .73735(7) .48005(15) .0449(19) Uani ? ?
 C14a .2783(4) .38911(7) .88260(16) .050(2) Uani ? ?
 C14b .3363(4) .56095(8) .79380(16) .055(2) Uani ? ?
 C14c .3769(5) .73822(9) .70502(17) .067(3) Uani ? ?
 C14d .8125(5) .59374(9) .28271(17) .067(3) Uani ? ?
 C14e .2372(5) .56739(9) .62781(18) .073(3) Uani ? ?
 C14f .2846(4) .71956(8) .53785(16) .053(2) Uani ? ?
 O15a .4098(3) .40011(5) .98222(10) .0556(14) Uani ? ?
 O15b .4692(3) .57321(5) .89307(11) .0593(15) Uani ? ?
 O15c .5188(3) .74515(6) .80513(11) .0651(16) Uani ? ?
 O15d .9528(3) .59109(6) .38440(12) .0689(17) Uani ? ?
 O15e .0906(3) .57059(6) .52806(12) .0703(17) Uani ? ?
 O15f .1537(3) .72838(5) .43688(11) .0572(14) Uani ? ?
 O1a -.0754(3) .39383(6) .83368(12) .0730(18) Uani ? ?
 O1b -.0183(3) .56445(7) .74585(13) .081(2) Uani ? ?
 O1c .0196(3) .74907(8) .65867(13) .095(2) Uani ? ?
 O1d .4526(3) .58077(7) .23813(12) .086(2) Uani ? ?
 O1e .5960(3) .57970(7) .67106(13) .092(2) Uani ? ?
 O1f .6376(3) .72445(7) .58677(13) .0764(19) Uani ? ?
 O2a .0634(3) .46857(5) .95365(11) .0538(14) Uani ? ?
 O2b .1161(3) .63976(5) .86479(11) .0541(14) Uani ? ?
 O2c .1820(3) .81462(5) .79484(11) .0537(14) Uani ? ?
 O2d .6202(3) .52173(5) .38566(11) .0529(14) Uani ? ?
 O2e .4308(3) .63843(5) .52258(10) .0522(14) Uani ? ?
 O2f .5031(3) .79596(5) .45867(12) .0571(15) Uani ? ?
 O3a .1483(2) .44681(5) .87501(9) .0451(13) Uani ? ?
 O3b .2000(2) .61818(5) .78577(10) .0488(13) Uani ? ?
 O3c .2547(3) .79679(5) .71032(10) .0528(14) Uani ? ?
 O3d .6913(3) .53590(5) .29801(10) .0508(14) Uani ? ?
 O3e .3600(3) .62518(5) .61079(10) .0538(14) Uani ? ?
 O3f .4164(3) .77698(5) .53934(10) .0495(13) Uani ? ?
 O4a .5443(3) .45040(7) .94328(14) .083(2) Uani ? ?
 O4b .5964(3) .62381(7) .85355(14) .091(2) Uani ? ?
 O4c .6542(3) .79831(8) .77472(16) .117(3) Uani ? ?
 O4d 1.0911(3) .53753(8) .36029(17) .122(3) Uani ? ?
 O4e -.0390(3) .62544(8) .54601(16) .117(3) Uani ? ?
 O4f .0199(3) .77979(7) .47029(15) .097(2) Uani ? ?
 O5a .1740(3) .43066(5) 1.01631(10) .0499(14) Uani ? ?
 O5b .2312(3) .60202(5) .92738(10) .0503(14) Uani ? ?
 O5c .2929(3) .77395(5) .84815(10) .0492(13) Uani ? ?
 O5d .7284(3) .56436(5) .43146(10) .0476(13) Uani ? ?
 O5e .3191(3) .59586(5) .47796(10) .0482(13) Uani ? ?
 O5f .3895(3) .75710(5) .39978(10) .0517(14) Uani ? ?
 H1a1 -.20915 .37358 .93702 .04701 Uani ? ?
 H1a2 -.32746 .39605 .90404 .10311 Uani ? ?
 H1a3 -.29773 .36862 .86816 .10263 Uani ? ?
 H1b1 -.21623 .53700 .78964 .09300 Uani ? ?
 H1b2 -.14447 .54294 .85144 .04094 Uani ? ?
 H1b3 -.26449 .56536 .81845 .12040 Uani ? ?
 H1c1 -.12603 .71054 .70356 .08736 Uani ? ?
 H1c2 -.19871 .73555 .72829 .04046 Uani ? ?
 H1c3 -.08971 .71728 .76349 .07680 Uani ? ?
 H1d1 .38288 .62649 .31814 .07100 Uani ? ?
 H1d2 .28735 .62037 .27289 .24424 Uani ? ?
 H1d3 .28381 .60595 .33766 .15796 Uani ? ?
 H1e1 .67991 .53604 .58828 .07862 Uani ? ?
 H1e2 .76945 .54400 .65060 .25375 Uani ? ?
 H1e3 .80208 .55945 .58763 .08573 Uani ? ?
 H1f1 .77372 .68757 .53292 .14652 Uani ? ?
 H1f2 .88984 .71741 .53021 .06623 Uani ? ?
 H1f3 .77633 .70040 .47219 .12734 Uani ? ?
 H3a -.08571 .42079 .95915 .06221 Uani ? ?
 H3b -.03624 .59171 .87169 .06529 Uani ? ?
 H3c .01548 .76884 .79399 .05688 Uani ? ?
 H3d .46241 .56809 .37441 .05470 Uani ? ?
 H3e .60741 .59252 .53778 .06338 Uani ? ?
 H3f .66220 .74822 .45346 .03966 Uani ? ?
 H5a3 -.19829 .46228 .88159 .06427 Uani ? ?
 H5a1 -.08907 .48196 .85245 .05397 Uani ? ?
 H5a2 -.13308 .45359 .82397 .01323 Uani ? ?
 H5b1 -.03665 .65445 .76545 .03801 Uani ? ?
 H5b2 -.08439 .62356 .74410 .01996 Uani ? ?
 H5b3 -.15863 .63439 .79579 .09845 Uani ? ?
 H5c1 -.10337 .81449 .72723 .11043 Uani ? ?
 H5c2 -.02748 .80265 .67028 .04237 Uani ? ?
 H5c3 .01815 .83366 .70454 .04278 Uani ? ?
 H5d1 .39225 .52623 .25447 .04673 Uani ? ?
 H5d2 .47093 .50034 .29400 .07123 Uani ? ?
 H5d3 .35219 .51811 .31852 .10781 Uani ? ?
 H5e1 .70278 .64069 .59264 .09140 Uani ? ?
 H5e2 .65130 .63242 .65351 .08198 Uani ? ?
 H5e3 .59001 .66347 .61172 .04320 Uani ? ?
 H5f1 .76847 .79080 .52931 .08189 Uani ? ?
 H5f2 .71124 .78085 .59511 .04050 Uani ? ?
 H5f3 .65544 .81347 .55974 .09164 Uani ? ?
 H7a1 .32490 .49331 .99536 .06110 Uani ? ?
 H7a2 .23924 .48612 1.05474 .06758 Uani ? ?
 H7a3 .39385 .47001 1.03854 .06012 Uani ? ?
 H7b1 .45025 .64089 .95662 .06979 Uani ? ?
 H7b2 .28753 .65606 .96357 .07336 Uani ? ?
 H7b3 .37171 .66421 .90706 .06472 Uani ? ?
 H7c1 .52909 .81225 .87424 .11856 Uani ? ?
 H7c2 .45426 .83754 .84012 .09512 Uani ? ?
 H7c3 .37745 .82486 .89193 .03908 Uani ? ?
 H7d1 .89093 .50200 .43370 .06945 Uani ? ?
 H7d2 .80130 .51547 .48397 .05539 Uani ? ?
 H7d3 .97022 .52995 .46467 .11153 Uani ? ?
 H7e1 .16311 .66131 .47239 .05568 Uani ? ?
 H7e2 .05730 .63169 .44028 .14105 Uani ? ?
 H7e3 .23766 .64486 .42640 .08069 Uani ? ?
 H7f1 .17205 .79594 .37374 .06490 Uani ? ?
 H7f2 .33786 .80987 .36157 .09170 Uani ? ?
 H7f3 .23719 .82315 .41343 .09348 Uani ? ?
 H9a1 .49205 .48759 .85676 .08522 Uani ? ?
 H9a2 .35318 .49026 .86504 .03621 Uani ? ?
 H9a3 .38830 .46480 .82546 .11205 Uani ? ?
 H9b1 .55332 .65931 .76257 .16540 Uani ? ?
 H9b2 .41686 .66063 .77419 .02134 Uani ? ?
 H9b3 .45229 .63509 .73742 .07498 Uani ? ?
 H9c1 .46186 .83393 .68838 .11816 Uani ? ?
 H9c2 .58139 .83867 .71039 .17621 Uani ? ?
 H9c3 .53153 .81179 .66482 .00256 Uani ? ?
 H9d1 .90614 .49202 .30237 .09599 Uani ? ?
 H9d2 1.05737 .49708 .28045 .17675 Uani ? ?
 H9d3 .93435 .51569 .24479 .05835 Uani ? ?
 H9e1 .12049 .64134 .66335 .07317 Uani ? ?
 H9e2 -.01598 .66304 .62399 .09573 Uani ? ?
 H9e3 .15810 .66872 .62532 .07144 Uani ? ?
 H12a1 .20175 .37434 1.02888 .06233 Uani ? ?
 H12a2 .02168 .38214 1.03000 .07960 Uani ? ?
 H12a3 .07283 .36177 .97513 .06015 Uani ? ?
 H12b1 .14113 .53230 .88829 .07041 Uani ? ?
 H12b2 .07552 .55048 .93952 .05064 Uani ? ?
 H12b3 .25724 .54572 .94120 .06121 Uani ? ?
 H12c1 .18544 .70523 .79148 .04584 Uani ? ?
 H12c2 .12563 .72393 .84272 .04996 Uani ? ?
 H12c3 .32453 .71955 .85409 .07349 Uani ? ?
 H12d1 .64708 .62847 .36744 .06342 Uani ? ?
 H12d2 .75080 .61962 .43224 .06396 Uani ? ?
 H12d3 .57561 .61348 .42132 .07210 Uani ? ?
 H12e1 .41276 .53239 .54825 .04941 Uani ? ?
 H12e2 .47906 .54317 .49023 .04459 Uani ? ?
 H12e3 .30023 .53911 .48370 .05617 Uani ? ?
 H12f1 .46836 .68765 .44481 .05233 Uani ? ?
 H12f2 .36209 .70197 .38851 .07307 Uani ? ?
 H12f3 .54055 .70569 .39982 .05455 Uani ? ?
 H14a1 .27933 .36979 .89142 .04323 Uani ? ?
 H14a2 .18759 .39440 .85237 .07208 Uani ? ?
 H14a3 .38119 .39310 .86269 .06966 Uani ? ?
 H14b1 .32704 .54225 .80358 .06216 Uani ? ?
 H14b2 .25210 .56381 .76123 .09377 Uani ? ?
 H14b3 .42958 .56539 .77681 .08331 Uani ? ?
 H14c1 .30226 .74522 .67553 .07379 Uani ? ?
 H14c2 .36218 .71765 .71553 .03306 Uani ? ?
 H14c3 .47693 .74180 .69378 .04534 Uani ? ?
 H14d1 .72212 .58559 .25155 .07775 Uani ? ?
 H14d2 .79089 .61307 .29020 .03370 Uani ? ?
 H14d3 .92230 .58812 .27134 .07927 Uani ? ?
 H14e1 .26004 .54832 .62376 .01945 Uani ? ?
 H14e2 .14580 .57604 .64287 .12929 Uani ? ?
 H14e3 .30260 .57922 .65617 .08051 Uani ? ?
 H14f1 .37423 .72286 .56524 .06047 Uani ? ?
 H14f2 .17771 .71979 .54032 .05809 Uani ? ?
 H14f3 .31266 .69730 .53451 .03853 Uani ? ?
 H15a .45712 .41331 .99889 .09873 Uani ? ?
 H15b .48515 .55317 .87629 .03800 Uani ? ?
 H15d 1.00280 .58286 .37773 .01957 Uani ? ?
 H15e .11463 .56216 .50552 .18239 Uani ? ?
 H15f .07785 .74199 .43516 .07848 Uani ? ?
 H15c .61084 .74755 .78244 .06201 Uani ? ?
 H9fa .21917 .82017 .55002 .04689 Uani ? ?
 H9fb .15910 .79417 .58526 .07129 Uani ? ?
 H9fc .04099 .81671 .55052 .13759 Uani ? ?
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
 C1a .061(3) .081(3) .088(3) -.020(2) .012(3) -.012(3)
 C1b .069(3) .083(3) .086(3) -.022(2) .013(3) -.009(3)
 C1c .084(4) .102(4) .094(4) -.022(3) .001(3) .000(3)
 C1d .093(4) .103(4) .078(3) .034(3) -.001(3) .003(3)
 C1e .082(3) .097(4) .088(4) .020(3) .007(3) .013(3)
 C1f .076(3) .108(4) .106(4) .035(3) .023(3) .019(3)
 C2a .039(2) .051(2) .063(3) .0044(17) .006(2) -.006(2)
 C2b .041(2) .063(2) .054(2) .0019(18) .007(2) -.010(2)
 C2c .049(3) .087(3) .057(3) -.009(2) .004(2) -.005(2)
 C2d .052(3) .080(3) .044(2) .004(2) -.001(2) .004(2)
 C2e .046(2) .087(3) .054(3) .002(2) .003(2) .014(2)
 C2f .045(2) .067(3) .058(3) -.0035(19) .007(2) .005(2)
 C3a .040(2) .051(2) .048(2) .0008(16) .0123(17) -.0045(17)
 C3b .044(2) .057(2) .046(2) .0017(17) .0131(18) -.0023(17)
 C3c .041(2) .069(2) .042(2) -.0011(18) .0086(17) -.0007(18)
 C3d .041(2) .065(2) .042(2) .0018(17) .0092(17) .0066(18)
 C3e .042(2) .065(2) .043(2) -.0011(17) .0065(17) .0073(18)
 C3f .040(2) .058(2) .050(2) -.0027(17) .0105(18) .0016(18)
 C4a .039(2) .048(2) .058(2) .0057(16) .0060(19) .0007(18)
 C4b .039(2) .060(2) .051(2) .0075(17) .0068(18) .0000(19)
 C4c .035(2) .072(3) .044(2) .0047(18) .0044(17) .0041(19)
 C4d .037(2) .063(2) .045(2) -.0074(17) .0028(17) -.0016(18)
 C4e .037(2) .069(3) .042(2) -.0036(17) .0054(17) .0011(18)
 C4f .041(2) .055(2) .060(2) -.0095(17) .009(2) -.004(2)
 C5a .054(3) .070(3) .079(3) .010(2) .003(2) .007(2)
 C5b .050(2) .073(3) .074(3) .012(2) .003(2) .007(2)
 C5c .046(2) .083(3) .073(3) .010(2) -.002(2) .009(2)
 C5d .047(2) .082(3) .066(3) -.011(2) -.002(2) -.006(2)
 C5e .044(2) .086(3) .067(3) -.013(2) .003(2) -.002(2)
 C5f .050(2) .078(3) .089(3) -.015(2) -.003(2) -.013(2)
 C6a .048(2) .043(2) .045(2) .0002(16) .0082(18) -.0047(16)
 C6b .050(2) .048(2) .050(2) .0004(17) .0078(19) -.0027(18)
 C6c .045(2) .049(2) .047(2) .0065(17) .0003(18) .0036(17)
 C6d .040(2) .050(2) .046(2) -.0057(16) -.0025(17) .0037(17)
 C6e .042(2) .056(2) .045(2) -.0062(17) -.0013(17) .0009(18)
 C6f .051(2) .046(2) .055(2) -.0020(17) .005(2) -.0011(18)
 C7a .069(3) .056(2) .062(3) -.006(2) .007(2) -.011(2)
 C7b .072(3) .058(2) .057(2) -.009(2) .008(2) -.006(2)
 C7c .059(3) .064(3) .055(2) .002(2) -.006(2)  .000(2)
 C7d .065(3) .063(3) .065(3) .003(2) -.006(2) .003(2)
 C7e .060(3) .062(2) .054(2) .001(2) -.009(2)  .000(2)
 C7f .071(3) .058(2) .072(3) .003(2) .005(2) .008(2)
 C8a .040(2) .051(2) .050(2) -.0015(16) .0046(18) -.0012(17)
 C8b .044(2) .062(2) .051(2) -.0023(18) .010(2) -.0018(19)
 C8c .048(2) .073(3) .060(3) .001(2) .005(2) .014(2)
 C8d .044(2) .073(3) .071(3) -.003(2) .006(2) -.012(2)
 C8e .041(2) .092(3) .059(3)  .000(2) .009(2) -.008(2)
 C8f .046(2) .055(2) .056(2) -.0013(18) .003(2) -.0058(19)
 C9a .057(3) .079(3) .068(3) -.009(2) .010(2) .012(2)
 C9b .068(3) .105(4) .083(3) -.011(3) .019(3) .023(3)
 C9c .086(4) .125(4) .119(5) -.013(3) .010(3) .037(4)
 C9d .071(3) .105(4) .097(4) .017(3) .007(3) -.033(3)
 C9e .061(3) .108(4) .071(3) .017(3) .005(2) -.012(3)
 C9f .062(3) .083(3) .070(3) .004(2) .009(2) -.016(2)
 C10a .039(2) .046(2) .0389(19) .0003(15) .0005(16) .0017(15)
 C10b .038(2) .055(2) .0388(19) .0002(16) .0002(16) .0008(16)
 C10c .036(2) .066(2) .041(2) .0025(17) -.0026(17) .0098(17)
 C10d .033(2) .061(2) .047(2) -.0051(16) -.0011(17) -.0066(18)
 C10e .036(2) .071(3) .046(2) -.0053(17) -.0003(17) -.0040(19)
 C10f .039(2) .055(2) .042(2) -.0051(16) .0013(17) -.0066(17)
 C11a .047(2) .046(2) .041(2) -.0012(16) .0088(17) -.0045(16)
 C11b .052(2) .046(2) .038(2) .0007(16) .0077(17) -.0016(16)
 C11c .055(2) .052(2) .038(2) -.0021(17) .0016(18) -.0013(17)
 C11d .047(2) .055(2) .037(2) -.0029(16) .0042(17) .0047(16)
 C11e .053(2) .056(2) .043(2) -.0034(17) .0059(18) .0084(17)
 C11f .054(2) .047(2) .040(2) -.0023(17) .0082(18) .0008(16)
 C12a .064(3) .055(2) .050(2) -.0031(19) .011(2) .0051(18)
 C12b .065(3) .058(2) .053(2) -.003(2) .008(2) .0067(19)
 C12c .073(3) .064(3) .057(2) -.005(2) .007(2) .005(2)
 C12d .065(3) .059(2) .053(2) -.001(2) .008(2) .0022(19)
 C12e .068(3) .065(3) .057(2) -.002(2) .009(2) .005(2)
 C12f .067(3) .054(2) .054(2) .001(2) .011(2) -.0037(19)
 C13a .041(2) .046(2) .0357(18) .0007(15) .0011(16) -.0014(15)
 C13b .042(2) .049(2) .039(2) .0054(16) .0004(17) -.0016(16)
 C13c .045(2) .066(2) .041(2) .0058(18) .0053(18) -.0009(18)
 C13d .043(2) .064(2) .044(2) -.0085(18) .0030(18) -.0019(18)
 C13e .046(2) .078(3) .043(2) -.015(2) .0051(19) .002(2)
 C13f .041(2) .050(2) .042(2) -.0080(16) .0020(16) -.0052(16)
 C14a .052(2) .050(2) .049(2) .0079(17) .0102(18) -.0035(17)
 C14b .050(2) .065(2) .049(2) .0058(18) .0092(19) -.0063(19)
 C14c .066(3) .083(3) .056(2) .005(2) .016(2) -.006(2)
 C14d .074(3) .073(3) .055(3) -.009(2) .019(2) .007(2)
 C14e .075(3) .087(3) .059(3) -.011(2) .018(2) .012(2)
 C14f .046(2) .064(2) .049(2) -.0059(18) .0050(18) .0055(19)
 O15a .0505(15) .0585(15) .0515(15) .0049(12) -.0107(12) .0059(12)
 O15b .0586(17) .0599(16) .0533(15) .0159(12) -.0089(13) .0002(12)
 O15c .0542(17) .0801(18) .0592(16) .0207(14) .0037(14) .0063(14)
 O15d .0508(16) .0782(18) .076(2) -.0190(13) .0045(15) -.0120(15)
 O15e .0574(17) .087(2) .0644(18) -.0283(14) .0025(14) -.0032(15)
 O15f .0479(15) .0630(16) .0549(15) -.0087(12) -.0087(13) -.0123(13)
 O1a .0606(19) .098(2) .0591(18) -.0115(15) .0073(15) -.0230(16)
 O1b .060(2) .122(3) .0608(19) -.0145(17) .0080(16) -.0315(18)
 O1c .080(2) .156(3) .0497(18) -.035(2) .0068(17) -.016(2)
 O1d .082(2) .125(3) .0476(17) .0266(18) .0023(16) .0097(17)
 O1e .079(2) .146(3) .0497(18) .029(2) .0074(17) .0216(19)
 O1f .063(2) .109(2) .0552(18) .0111(16) .0046(15) .0129(17)
 O2a .0501(15) .0454(14) .0648(17) .0060(11) .0066(13) -.0094(12)
 O2b .0489(15) .0533(15) .0606(16) .0066(12) .0105(13) -.0055(13)
 O2c .0443(15) .0613(16) .0529(15) .0081(12) .0004(12) .0014(12)
 O2d .0430(14) .0601(15) .0534(15) -.0087(11) .0015(12) .0049(12)
 O2e .0446(15) .0588(15) .0512(15) -.0097(11) .0015(12) .0054(12)
 O2f .0529(16) .0513(15) .0663(17) -.0110(12) .0076(13) .0046(13)
 O3a .0361(13) .0543(14) .0432(14) .0037(10) .0017(11) .0068(11)
 O3b .0364(13) .0653(16) .0432(14) .0023(11) .0016(11) .0067(12)
 O3c .0371(14) .0788(18) .0413(14) .0029(12) .0028(12) .0119(12)
 O3d .0380(14) .0685(16) .0446(14) -.0039(11) .0030(12) -.0096(12)
 O3e .0323(13) .0852(18) .0427(13) -.0037(12) .0027(11) -.0086(13)
 O3f .0392(14) .0625(15) .0453(14) -.0073(11) .0022(12) -.0113(12)
 O4a .0448(16) .105(2) .094(2) -.0122(15) -.0057(16) .0361(18)
 O4b .0439(17) .128(3) .094(2) -.0099(17) -.0081(17) .036(2)
 O4c .0404(18) .185(4) .121(3) -.004(2) -.003(2) .068(3)
 O4d .0405(18) .163(3) .155(3) .003(2) -.002(2) -.083(3)
 O4e .0395(18) .180(4) .126(3) .007(2) -.006(2) -.067(3)
 O4f .0457(17) .116(3) .120(3) .0114(16) -.0140(18) -.056(2)
 O5a .0602(16) .0509(14) .0400(13) -.0058(12) .0117(12) -.0083(11)
 O5b .0626(17) .0511(14) .0377(13) -.0046(12) .0100(12) -.0049(11)
 O5c .0569(16) .0533(15) .0368(13) .0013(12) .0058(12) .0008(11)
 O5d .0515(15) .0542(15) .0358(13) -.0006(11) .0031(11) .0042(11)
 O5e .0536(15) .0533(15) .0368(13) -.0013(11) .0045(11) .0045(11)
 O5f .0610(17) .0531(15) .0415(13) .0013(12) .0097(12) .0037(12)
 H1a1 .04701 .04701 .04701 .00000 .00765 .00000
 H1a2 .10311 .10311 .10311 .00000 .01679 .00000
 H1a3 .10263 .10263 .10263 .00000 .01671 .00000
 H1b1 .09300 .09300 .09300 .00000 .01514 .00000
 H1b2 .04094 .04094 .04094 .00000 .00666 .00000
 H1b3 .12040 .12040 .12040 .00000 .01960 .00000
 H1c1 .08736 .08736 .08736 .00000 .01422 .00000
 H1c2 .04046 .04046 .04046 .00000 .00659 .00000
 H1c3 .07680 .07680 .07680 .00000 .01250 .00000
 H1d1 .07100 .07100 .07100 .00000 .01156 .00000
 H1d2 .24424 .24424 .24424 .00000 .03976 .00000
 H1d3 .15796 .15796 .15796 .00000 .02571 .00000
 H1e1 .07862 .07862 .07862 .00000 .01280 .00000
 H1e2 .25375 .25375 .25375 .00000 .04131 .00000
 H1e3 .08573 .08573 .08573 .00000 .01396 .00000
 H1f1 .14652 .14652 .14652 .00000 .02385 .00000
 H1f2 .06623 .06623 .06623 .00000 .01078 .00000
 H1f3 .12734 .12734 .12734 .00000 .02073 .00000
 H3a .06221 .06221 .06221 .00000 .01013 .00000
 H3b .06529 .06529 .06529 .00000 .01063 .00000
 H3c .05688 .05688 .05688 .00000 .00926 .00000
 H3d .05470 .05470 .05470 .00000 .00890 .00000
 H3e .06338 .06338 .06338 .00000 .01032 .00000
 H3f .03966 .03966 .03966 .00000 .00646 .00000
 H5a3 .06427 .06427 .06427 .00000 .01046 .00000
 H5a1 .05397 .05397 .05397 .00000 .00879 .00000
 H5a2 .01323 .01323 .01323 .00000 .00215 .00000
 H5b1 .03801 .03801 .03801 .00000 .00619 .00000
 H5b2 .01996 .01996 .01996 .00000 .00325 .00000
 H5b3 .09845 .09845 .09845 .00000 .01603 .00000
 H5c1 .11043 .11043 .11043 .00000 .01798 .00000
 H5c2 .04237 .04237 .04237 .00000 .00690 .00000
 H5c3 .04278 .04278 .04278 .00000 .00696 .00000
 H5d1 .04673 .04673 .04673 .00000 .00761 .00000
 H5d2 .07123 .07123 .07123 .00000 .01160 .00000
 H5d3 .10781 .10781 .10781 .00000 .01755 .00000
 H5e1 .09140 .09140 .09140 .00000 .01488 .00000
 H5e2 .08198 .08198 .08198 .00000 .01335 .00000
 H5e3 .04320 .04320 .04320 .00000 .00703 .00000
 H5f1 .08189 .08189 .08189 .00000 .01333 .00000
 H5f2 .04050 .04050 .04050 .00000 .00659 .00000
 H5f3 .09164 .09164 .09164 .00000 .01492 .00000
 H7a1 .06110 .06110 .06110 .00000 .00995 .00000
 H7a2 .06758 .06758 .06758 .00000 .01100 .00000
 H7a3 .06012 .06012 .06012 .00000 .00979 .00000
 H7b1 .06979 .06979 .06979 .00000 .01136 .00000
 H7b2 .07336 .07336 .07336 .00000 .01194 .00000
 H7b3 .06472 .06472 .06472 .00000 .01054 .00000
 H7c1 .11856 .11856 .11856 .00000 .01930 .00000
 H7c2 .09512 .09512 .09512 .00000 .01548 .00000
 H7c3 .03908 .03908 .03908 .00000 .00636 .00000
 H7d1 .06945 .06945 .06945 .00000 .01131 .00000
 H7d2 .05539 .05539 .05539 .00000 .00902 .00000
 H7d3 .11153 .11153 .11153 .00000 .01816 .00000
 H7e1 .05568 .05568 .05568 .00000 .00906 .00000
 H7e2 .14105 .14105 .14105 .00000 .02296 .00000
 H7e3 .08069 .08069 .08069 .00000 .01314 .00000
 H7f1 .06490 .06490 .06490 .00000 .01057 .00000
 H7f2 .09170 .09170 .09170 .00000 .01493 .00000
 H7f3 .09348 .09348 .09348 .00000 .01522 .00000
 H9a1 .08522 .08522 .08522 .00000 .01387 .00000
 H9a2 .03621 .03621 .03621 .00000 .00589 .00000
 H9a3 .11205 .11205 .11205 .00000 .01824 .00000
 H9b1 .16540 .16540 .16540 .00000 .02693 .00000
 H9b2 .02134 .02134 .02134 .00000 .00347 .00000
 H9b3 .07498 .07498 .07498 .00000 .01221 .00000
 H9c1 .11816 .11816 .11816 .00000 .01924 .00000
 H9c2 .17621 .17621 .17621 .00000 .02869 .00000
 H9c3 .00256 .00256 .00256 .00000 .00042 .00000
 H9d1 .09599 .09599 .09599 .00000 .01563 .00000
 H9d2 .17675 .17675 .17675 .00000 .02877 .00000
 H9d3 .05835 .05835 .05835 .00000 .00950 .00000
 H9e1 .07317 .07317 .07317 .00000 .01191 .00000
 H9e2 .09573 .09573 .09573 .00000 .01558 .00000
 H9e3 .07144 .07144 .07144 .00000 .01163 .00000
 H12a1 .06233 .06233 .06233 .00000 .01015 .00000
 H12a2 .07960 .07960 .07960 .00000 .01296 .00000
 H12a3 .06015 .06015 .06015 .00000 .00979 .00000
 H12b1 .07041 .07041 .07041 .00000 .01146 .00000
 H12b2 .05064 .05064 .05064 .00000 .00824 .00000
 H12b3 .06121 .06121 .06121 .00000 .00996 .00000
 H12c1 .04584 .04584 .04584 .00000 .00746 .00000
 H12c2 .04996 .04996 .04996 .00000 .00813 .00000
 H12c3 .07349 .07349 .07349 .00000 .01196 .00000
 H12d1 .06342 .06342 .06342 .00000 .01032 .00000
 H12d2 .06396 .06396 .06396 .00000 .01041 .00000
 H12d3 .07210 .07210 .07210 .00000 .01174 .00000
 H12e1 .04941 .04941 .04941 .00000 .00804 .00000
 H12e2 .04459 .04459 .04459 .00000 .00726 .00000
 H12e3 .05617 .05617 .05617 .00000 .00914 .00000
 H12f1 .05233 .05233 .05233 .00000 .00852 .00000
 H12f2 .07307 .07307 .07307 .00000 .01190 .00000
 H12f3 .05455 .05455 .05455 .00000 .00888 .00000
 H14a1 .04323 .04323 .04323 .00000 .00704 .00000
 H14a2 .07208 .07208 .07208 .00000 .01173 .00000
 H14a3 .06966 .06966 .06966 .00000 .01134 .00000
 H14b1 .06216 .06216 .06216 .00000 .01012 .00000
 H14b2 .09377 .09377 .09377 .00000 .01527 .00000
 H14b3 .08331 .08331 .08331 .00000 .01356 .00000
 H14c1 .07379 .07379 .07379 .00000 .01201 .00000
 H14c2 .03306 .03306 .03306 .00000 .00538 .00000
 H14c3 .04534 .04534 .04534 .00000 .00738 .00000
 H14d1 .07775 .07775 .07775 .00000 .01266 .00000
 H14d2 .03370 .03370 .03370 .00000 .00549 .00000
 H14d3 .07927 .07927 .07927 .00000 .01290 .00000
 H14e1 .01945 .01945 .01945 .00000 .00317 .00000
 H14e2 .12929 .12929 .12929 .00000 .02105 .00000
 H14e3 .08051 .08051 .08051 .00000 .01311 .00000
 H14f1 .06047 .06047 .06047 .00000 .00984 .00000
 H14f2 .05809 .05809 .05809 .00000 .00946 .00000
 H14f3 .03853 .03853 .03853 .00000 .00627 .00000
 H15a .09873 .09873 .09873 .00000 .01607 .00000
 H15b .03800 .03800 .03800 .00000 .00619 .00000
 H15d .01957 .01957 .01957 .00000 .00319 .00000
 H15e .18239 .18239 .18239 .00000 .02969 .00000
 H15f .07848 .07848 .07848 .00000 .01278 .00000
 H15c .06201 .06201 .06201 .00000 .01009 .00000
 H9fa .04689 .04689 .04689 .00000 .00763 .00000
 H9fb .07129 .07129 .07129 .00000 .01161 .00000
 H9fc .13759 .13759 .13759 .00000 .02240 .00000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
 C1e H1e3 . . .874(5) ?
 C1e H1e1 . . .897(5) ?
 C1e H1e2 . . 1.041(5) ?
 C1e C2e . . 1.501(6) ?
 C2e O1e . . 1.203(5) ?
 C2e C3e . . 1.530(5) ?
 C3e H3e . . 1.010(4) ?
 C3e C4e . . 1.539(5) ?
 C3e C11e . . 1.566(5) ?
 C4e O3e . . 1.422(4) ?
 C4e O2e . . 1.424(4) ?
 C4e C5e . . 1.505(5) ?
 C5e H5e1 . . .880(4) ?
 C5e H5e2 . . .998(4) ?
 C5e H5e3 . . 1.006(4) ?
 C6e O5e . . 1.412(4) ?
 C6e O2e . . 1.427(4) ?
 C6e C7e . . 1.489(5) ?
 C6e C10e . . 1.587(5) ?
 C7e H7e3 . . .865(4) ?
 C7e H7e1 . . .989(4) ?
 C7e H7e2 . . 1.192(4) ?
 C8e O4e . . 1.196(5) ?
 C8e C9e . . 1.471(6) ?
 C8e C10e . . 1.511(5) ?
 C9e H9e1 . . .908(4) ?
 C9e H9e3 . . .937(5) ?
 C9e H9e2 . . 1.057(4) ?
 C10e O3e . . 1.432(4) ?
 C10e C13e . . 1.543(5) ?
 C11e O5e . . 1.458(4) ?
 C11e C12e . . 1.503(5) ?
 C11e C13e . . 1.546(5) ?
 C12e H12e3 . . .905(4) ?
 C12e H12e2 . . .950(4) ?
 C12e H12e1 . . 1.073(4) ?
 C13e O15e . . 1.430(4) ?
 C13e C14e . . 1.517(5) ?
 C14e H14e1 . . .888(4) ?
 C14e H14e3 . . .940(4) ?
 C14e H14e2 . . .989(4) ?
 O15e H15e . . .685(3) ?
 C1d H1d2 . . .834(5) ?
 C1d H1d3 . . .923(5) ?
 C1d H1d1 . . .941(5) ?
 C1d C2d . . 1.500(6) ?
 C2d O1d . . 1.202(5) ?
 C2d C3d . . 1.520(5) ?
 C3d H3d . . .924(4) ?
 C3d C4d . . 1.548(5) ?
 C3d C11d . . 1.577(5) ?
 C4d O3d . . 1.421(4) ?
 C4d O2d . . 1.434(4) ?
 C4d C5d . . 1.506(5) ?
 C5d H5d3 . . .890(4) ?
 C5d H5d2 . . .907(4) ?
 C5d H5d1 . . .975(4) ?
 C6d O2d . . 1.411(4) ?
 C6d O5d . . 1.412(4) ?
 C6d C7d . . 1.495(5) ?
 C6d C10d . . 1.582(5) ?
 C7d H7d1 . . .903(4) ?
 C7d H7d2 . . .955(4) ?
 C7d H7d3 . . 1.050(4) ?
 C8d O4d . . 1.203(5) ?
 C8d C9d . . 1.459(6) ?
 C8d C10d . . 1.519(5) ?
 C9d H9d1 . . .930(5) ?
 C9d H9d3 . . .954(5) ?
 C9d H9d2 . . 1.000(5) ?
 C10d O3d . . 1.430(4) ?
 C10d C13d . . 1.539(5) ?
 C11d O5d . . 1.448(4) ?
 C11d C12d . . 1.506(5) ?
 C11d C13d . . 1.538(5) ?
 C12d H12d3 . . .904(4) ?
 C12d H12d2 . . .955(3) ?
 C12d H12d1 . . .993(4) ?
 C13d O15d . . 1.437(4) ?
 C13d C14d . . 1.515(5) ?
 C14d H14d2 . . .910(4) ?
 C14d H14d1 . . 1.024(4) ?
 C14d H14d3 . . 1.055(4) ?
 O15d H15d . . .607(3) ?
 C1b H1b1 . . .870(4) ?
 C1b H1b3 . . .919(4) ?
 C1b H1b2 . . .936(4) ?
 C1b C2b . . 1.490(6) ?
 C2b O1b . . 1.209(5) ?
 C2b C3b . . 1.520(5) ?
 C3b H3b . . .966(4) ?
 C3b C4b . . 1.554(5) ?
 C3b C11b . . 1.559(5) ?
 C4b O2b . . 1.423(4) ?
 C4b O3b . . 1.429(4) ?
 C4b C5b . . 1.496(5) ?
 C5b H5b2 . . .801(4) ?
 C5b H5b3 . . .971(4) ?
 C5b H5b1 . . 1.002(4) ?
 C6b O5b . . 1.414(4) ?
 C6b O2b . . 1.418(4) ?
 C6b C7b . . 1.501(5) ?
 C6b C10b . . 1.594(5) ?
 C7b H7b3 . . .896(4) ?
 C7b H7b2 . . .981(4) ?
 C7b H7b1 . . 1.010(4) ?
 C8b O4b . . 1.201(4) ?
 C8b C9b . . 1.483(6) ?
 C8b C10b . . 1.522(5) ?
 C9b H9b2 . . .760(5) ?
 C9b H9b3 . . .831(5) ?
 C9b H9b1 . . .959(4) ?
 C10b O3b . . 1.429(4) ?
 C10b C13b . . 1.536(5) ?
 C11b O5b . . 1.456(4) ?
 C11b C12b . . 1.498(5) ?
 C11b C13b . . 1.556(5) ?
 C12b H12b3 . . .863(3) ?
 C12b H12b1 . . 1.011(4) ?
 C12b H12b2 . . 1.064(4) ?
 C13b O15b . . 1.429(4) ?
 C13b C14b . . 1.506(5) ?
 C14b H14b1 . . .874(4) ?
 C14b H14b2 . . .948(3) ?
 C14b H14b3 . . .968(4) ?
 O15b H15b . . .993(2) ?
 C1a H1a1 . . .866(4) ?
 C1a H1a2 . . .973(4) ?
 C1a H1a3 . . .987(4) ?
 C1a C2a . . 1.491(6) ?
 C2a O1a . . 1.215(5) ?
 C2a C3a . . 1.521(5) ?
 C3a H3a . . .905(4) ?
 C3a C4a . . 1.537(5) ?
 C3a C11a . . 1.572(4) ?
 C4a O2a . . 1.427(4) ?
 C4a O3a . . 1.432(4) ?
 C4a C5a . . 1.492(5) ?
 C5a H5a3 . . .876(4) ?
 C5a H5a2 . . .913(4) ?
 C5a H5a1 . . .932(4) ?
 C6a O2a . . 1.414(4) ?
 C6a O5a . . 1.415(4) ?
 C6a C7a . . 1.502(5) ?
 C6a C10a . . 1.584(5) ?
 C7a H7a3 . . .926(4) ?
 C7a H7a1 . . .964(4) ?
 C7a H7a2 . . .997(4) ?
 C8a O4a . . 1.205(4) ?
 C8a C9a . . 1.472(5) ?
 C8a C10a . . 1.523(5) ?
 C9a H9a2 . . .855(4) ?
 C9a H9a1 . . .865(4) ?
 C9a H9a3 . . .876(4) ?
 C10a O3a . . 1.426(4) ?
 C10a C13a . . 1.540(4) ?
 C11a O5a . . 1.455(4) ?
 C11a C12a . . 1.509(5) ?
 C11a C13a . . 1.554(5) ?
 C12a H12a1 . . .890(3) ?
 C12a H12a3 . . 1.018(3) ?
 C12a H12a2 . . 1.052(4) ?
 C13a O15a . . 1.423(4) ?
 C13a C14a . . 1.518(5) ?
 C14a H14a1 . . .890(3) ?
 C14a H14a2 . . .976(3) ?
 C14a H14a3 . . 1.073(4) ?
 O15a H15a . . .780(2) ?
 C1f H1f1 . . .914(5) ?
 C1f H1f2 . . .998(5) ?
 C1f H1f3 . . 1.032(5) ?
 C1f C2f . . 1.481(6) ?
 C2f O1f . . 1.205(5) ?
 C2f C3f . . 1.523(5) ?
 C3f H3f . . 1.082(4) ?
 C3f C4f . . 1.540(5) ?
 C3f C11f . . 1.567(5) ?
 C4f O2f . . 1.429(4) ?
 C4f O3f . . 1.434(4) ?
 C4f C5f . . 1.503(5) ?
 C5f H5f1 . . .939(4) ?
 C5f H5f3 . . 1.031(4) ?
 C5f H5f2 . . 1.062(4) ?
 C6f O5f . . 1.415(4) ?
 C6f O2f . . 1.425(4) ?
 C6f C7f . . 1.498(5) ?
 C6f C10f . . 1.598(5) ?
 C7f H7f1 . . .939(4) ?
 C7f H7f2 . . .950(4) ?
 C7f H7f3 . . 1.032(4) ?
 C8f O4f . . 1.202(4) ?
 C8f C9f . . 1.465(6) ?
 C8f C10f . . 1.516(5) ?
 C9f H9fa . . .874(4) ?
 C9f H9fb . . .891(4) ?
 C9f H9fc . . 1.037(4) ?
 C10f O3f . . 1.430(4) ?
 C10f C13f . . 1.534(5) ?
 C11f O5f . . 1.457(4) ?
 C11f C12f . . 1.511(5) ?
 C11f C13f . . 1.545(5) ?
 C12f H12f2 . . .878(3) ?
 C12f H12f3 . . .953(4) ?
 C12f H12f1 . . 1.010(4) ?
 C13f O15f . . 1.425(4) ?
 C13f C14f . . 1.510(5) ?
 C14f H14f1 . . .917(3) ?
 C14f H14f2 . . .938(4) ?
 C14f H14f3 . . 1.035(3) ?
 O15f H15f . . .894(2) ?
 C1c H1c2 . . .806(5) ?
 C1c H1c1 . . .874(5) ?
 C1c H1c3 . . .895(5) ?
 C1c C2c . . 1.487(7) ?
 C2c O1c . . 1.206(5) ?
 C2c C3c . . 1.522(5) ?
 C3c H3c . . 1.024(4) ?
 C3c C4c . . 1.549(5) ?
 C3c C11c . . 1.567(5) ?
 C4c O2c . . 1.422(4) ?
 C4c O3c . . 1.428(4) ?
 C4c C5c . . 1.510(5) ?
 C5c H5c3 . . .895(4) ?
 C5c H5c2 . . .920(4) ?
 C5c H5c1 . . 1.019(4) ?
 C6c O5c . . 1.414(4) ?
 C6c O2c . . 1.423(4) ?
 C6c C7c . . 1.478(5) ?
 C6c C10c . . 1.590(5) ?
 C7c H7c3 . . .885(4) ?
 C7c H7c2 . . .944(4) ?
 C7c H7c1 . . .977(4) ?
 C8c O4c . . 1.196(5) ?
 C8c C9c . . 1.471(7) ?
 C8c C10c . . 1.505(5) ?
 C9c H9c1 . . .699(5) ?
 C9c H9c3 . . .781(6) ?
 C9c H9c2 . . .936(5) ?
 C10c O3c . . 1.429(4) ?
 C10c C13c . . 1.544(5) ?
 C11c O5c . . 1.462(4) ?
 C11c C12c . . 1.512(5) ?
 C11c C13c . . 1.554(5) ?
 C12c H12c2 . . .967(4) ?
 C12c H12c3 . . .971(4) ?
 C12c H12c1 . . 1.139(4) ?
 C13c O15c . . 1.421(4) ?
 C13c C14c . . 1.513(5) ?
 C14c H14c1 . . .898(4) ?
 C14c H14c3 . . .955(4) ?
 C14c H14c2 . . .967(4) ?
 O15c H15c . . 1.016(3) ?