#------------------------------------------------------------------------------
#$Date: 2011-09-17 22:27:16 +0200 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012263.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_2012263
loop_
_publ_author_name
'Boer, D. Roeland'
'Kooijman, Huub'
'Groen, Marinus'
'van der Louw, Jaap'
'Kelder, Jan'
'Kroon, Jan'
_publ_section_title
;
Conformational comparison of five follicle fluid-meiosis activating
sterol-related active and inactive compounds
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1177
_journal_page_last               1181
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '4C30 H42 O2, H2 O'
_chemical_formula_moiety         '4C30 H42 O2, H2 O'
_chemical_formula_sum            'C120 H170 O9'
_chemical_formula_weight         1756.56
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.055(13)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   64.902(4)
_cell_length_b                   7.2926(14)
_cell_length_c                   11.1447(11)
_cell_measurement_temperature    293
_cell_volume                     5245.4(12)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.112
_[local]_cod_cif_authors_sg_H-M  'C 2'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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               2012263
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
1/2+x,1/2+y,z
1/2-x,1/2+y,-z
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
O3 .0563(14) .0739(17) .0671(13) -.0072(13) .0074(11) .0070(14)
O22 .0544(14) .0678(16) .0762(15) .0016(13) .0039(11) .0176(14)
C1 .0571(18) .0421(18) .0525(17) .0019(16) .0083(14) -.0058(15)
C2 .059(2) .051(2) .0535(18) .0047(17) .0090(15) -.0113(16)
C3 .0571(19) .054(2) .0408(15) -.0044(17) .0072(14) .0095(16)
C4 .066(2) .0347(18) .0452(16) -.0044(16) .0067(15) -.0011(14)
C5 .0639(19) .0302(16) .0379(14) .0000(15) .0112(13) .0041(13)
C6 .076(2) .0385(18) .0579(19) .0057(17) .0081(17) -.0065(16)
C7 .072(2) .0356(18) .0597(18) .0086(17) .0169(16) -.0035(16)
C8 .0596(19) .0340(17) .0477(16) .0032(16) .0153(14) .0045(14)
C9 .0554(18) .0300(17) .0539(17) .0014(15) .0128(15) .0039(14)
C10 .0564(18) .0281(15) .0432(15) .0034(15) .0155(14) .0057(14)
C11 .062(2) .0326(18) .081(2) .0058(16) .0036(17) -.0024(17)
C12 .0596(19) .0380(18) .0662(19) .0018(16) .0085(16) -.0028(16)
C13 .0550(18) .0341(17) .0578(18) .0032(15) .0145(15) .0108(15)
C14 .0547(19) .0373(18) .0550(17) .0054(16) .0169(15) .0028(15)
C15 .067(2) .0368(19) .072(2) .0081(17) .0054(18) .0018(17)
C16 .072(2) .045(2) .072(2) .0129(18) .0175(18) .0115(18)
C17 .0576(19) .0404(17) .0595(18) .0031(16) .0129(15) .0149(16)
C18 .069(2) .057(2) .070(2) -.0021(19) .0128(18) .0200(18)
C19 .073(2) .050(2) .0630(19) .0003(18) .0184(17) .0178(17)
C20 .058(2) .050(2) .072(2) .0010(18) .0060(17) .0138(19)
C21 .082(3) .057(3) .118(3) -.002(2) -.012(2) -.003(3)
C23 .062(2) .074(3) .111(3) -.006(2) -.002(2) .011(3)
C24 .058(2) .075(3) .068(2) .009(2) .0060(18) -.002(2)
C25 .064(2) .083(3) .088(3) .013(2) .005(2) .012(2)
C26 .096(3) .087(3) .101(3) .020(3) .014(3) .024(3)
C27 .101(4) .118(5) .087(3) .048(4) .002(3) .017(3)
C28 .073(3) .131(5) .113(4) .018(4) -.019(3) .001(4)
C29 .064(3) .099(4) .102(3) .000(3) -.007(2) .001(3)
C41 .081(3) .049(2) .095(3) -.011(2) -.003(2) .001(2)
C42 .076(2) .068(3) .0433(16) .009(2) .0042(15) -.0078(17)
O3A .0598(14) .0828(18) .0708(14) .0130(14) .0020(11) -.0133(15)
O22A .0555(14) .099(2) .0633(14) -.0014(14) .0035(11) .0062(15)
C1A .066(2) .0398(18) .0630(19) .0036(18) .0019(16) .0115(16)
C2A .073(2) .047(2) .069(2) .0123(19) -.0058(18) .0059(18)
C3A .0566(19) .060(2) .0441(16) .0101(17) .0040(14) -.0111(16)
C4A .061(2) .0509(19) .0444(16) -.0039(17) .0094(14) .0016(16)
C5A .0588(19) .0363(16) .0376(14) .0020(15) .0106(13) -.0015(14)
C6A .073(2) .0383(19) .072(2) -.0033(19) .0000(18) .0102(18)
C7A .071(2) .0403(19) .067(2) .0016(17) -.0005(17) .0150(17)
C8A .0548(18) .0398(17) .0438(15) .0054(15) .0113(14) .0103(15)
C9A .0553(18) .0383(18) .0440(15) .0032(15) .0099(13) .0064(14)
C10A .0598(18) .0389(18) .0366(14) .0060(15) .0106(13) .0070(14)
C11A .067(2) .047(2) .080(2) -.0040(19) .0016(18) .0231(19)
C12A .061(2) .045(2) .081(2) -.0052(17) .0060(18) .0112(18)
C13A .0523(18) .0435(18) .0519(17) .0050(15) .0122(14) .0094(15)
C14A .0584(19) .0384(18) .0425(16) .0062(15) .0129(14) .0059(15)
C15A .062(2) .058(2) .0605(19) -.0016(18) .0070(16) .0159(19)
C16A .061(2) .074(3) .0584(19) .005(2) .0059(16) .0137(19)
C17A .0550(19) .058(2) .0519(17) .0048(17) .0134(15) .0033(17)
C18A .064(2) .084(3) .0545(18) .002(2) .0170(16) .0085(19)
C19A .077(2) .086(3) .0433(17) .002(2) .0173(16) .0016(18)
C20A .058(2) .071(3) .061(2) -.0030(18) .0091(16) .0063(19)
C21A .083(3) .090(4) .102(3) -.024(3) -.007(2) .022(3)
C23A .058(2) .131(4) .099(3) -.016(3) -.003(2) .026(3)
C24A .049(2) .106(4) .074(2) .001(2) .0102(19) .012(3)
C25A .081(3) .114(4) .095(3) -.001(3) .006(3) -.005(3)
C26A .099(4) .214(8) .077(3) .007(5) -.004(3) .000(5)
C27A .089(4) .228(10) .102(4) .029(5) .023(3) .068(6)
C28A .087(3) .142(6) .155(5) -.004(4) .025(4) .069(5)
C29A .068(3) .121(5) .106(3) -.018(3) .006(2) .019(3)
C41A .073(2) .055(2) .068(2) .0022(19) .0015(18) -.0147(19)
C42A .071(2) .087(3) .083(2) -.014(2) .014(2) .018(2)
O40 .101(3) .082(3) .078(2) .0000 .007(2) .0000
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_occupancy
_atom_site_type_symbol
O3 .98963(3) -.0169(4) .30176(19) .0657(9) Uani 1.000 O
O22 .81057(3) -.0018(4) -.1533(2) .0663(9) Uani 1.000 O
C1 .93754(5) -.2162(5) .1854(3) .0504(10) Uani 1.000 C
C2 .96001(5) -.2117(5) .2418(3) .0543(11) Uani 1.000 C
C3 .96793(5) -.0176(5) .2595(3) .0505(10) Uani 1.000 C
C4 .95503(5) .1007(4) .3390(3) .0486(10) Uani 1.000 C
C5 .93197(5) .0876(4) .2840(2) .0436(10) Uani 1.000 C
C6 .91688(5) .2074(5) .3444(3) .0574(11) Uani 1.000 C
C7 .89736(5) .2372(5) .2584(3) .0551(11) Uani 1.000 C
C8 .88948(5) .0665(4) .1923(3) .0464(10) Uani 1.000 C
C9 .90101(5) -.0889(4) .1901(3) .0459(10) Uani 1.000 C
C10 .92260(5) -.1074(4) .2597(2) .0418(9) Uani 1.000 C
C11 .89191(5) -.2586(5) .1244(3) .0588(11) Uani 1.000 C
C12 .87355(5) -.2227(5) .0299(3) .0545(11) Uani 1.000 C
C13 .85742(5) -.0933(5) .0771(3) .0484(10) Uani 1.000 C
C14 .86873(5) .0778(4) .1257(3) .0482(10) Uani 1.000 C
C15 .85702(5) .2271(5) .1014(3) .0587(11) Uani 1.000 C
C16 .83710(6) .1815(5) .0267(3) .0623(12) Uani 1.000 C
C17 .84137(5) -.0100(5) -.0213(3) .0520(10) Uani 1.000 C
C18 .84692(6) -.1846(5) .1810(3) .0649(12) Uani 1.000 C
C19 .91972(6) -.2185(5) .3760(3) .0612(11) Uani 1.000 C
C20 .82174(5) -.1175(5) -.0642(3) .0601(12) Uani 1.000 C
C21 .82544(6) -.3045(6) -.1172(4) .0873(17) Uani 1.000 C
C23 .78923(6) -.0393(6) -.1769(4) .0831(16) Uani 1.000 C
C24 .77837(6) .1120(6) -.2510(3) .0670(14) Uani 1.000 C
C25 .78816(6) .2756(7) -.2735(4) .0785(16) Uani 1.000 C
C26 .77740(7) .4140(7) -.3386(4) .0944(17) Uani 1.000 C
C27 .75675(8) .3898(9) -.3804(4) .103(2) Uani 1.000 C
C28 .74710(8) .2290(10) -.3586(5) .108(2) Uani 1.000 C
C29 .75783(6) .0902(8) -.2943(4) .0895(19) Uani 1.000 C
C41 .96254(6) .3005(5) .3300(4) .0759(16) Uani 1.000 C
C42 .95895(5) .0438(6) .4732(2) .0626(13) Uani 1.000 C
O3A .99344(3) .2002(4) .8724(2) .0715(9) Uani 1.000 O
O22A .81777(3) .1715(4) .3634(2) .0728(9) Uani 1.000 O
C1A .93658(5) .0714(5) .8323(3) .0566(11) Uani 1.000 C
C2A .95877(5) .0824(5) .8928(3) .0639(12) Uani 1.000 C
C3A .97181(5) .2082(5) .8248(3) .0537(11) Uani 1.000 C
C4A .96365(5) .4055(5) .8171(3) .0518(11) Uani 1.000 C
C5A .94044(5) .3956(4) .7615(2) .0438(10) Uani 1.000 C
C6A .92971(5) .5792(5) .7384(3) .0616(11) Uani 1.000 C
C7A .91067(5) .5582(5) .6479(3) .0600(11) Uani 1.000 C
C8A .89818(5) .3876(5) .6629(3) .0457(10) Uani 1.000 C
C9A .90524(5) .2475(4) .7358(2) .0455(10) Uani 1.000 C
C10A .92579(5) .2606(4) .8195(2) .0447(10) Uani 1.000 C
C11A .89183(5) .0796(5) .7488(3) .0651(12) Uani 1.000 C
C12A .87500(5) .0493(5) .6442(3) .0624(12) Uani 1.000 C
C13A .86285(5) .2238(5) .6100(3) .0488(10) Uani 1.000 C
C14A .87842(5) .3740(4) .5868(3) .0459(10) Uani 1.000 C
C15A .87043(5) .4839(5) .4976(3) .0601(11) Uani 1.000 C
C16A .84977(5) .4169(6) .4405(3) .0645(14) Uani 1.000 C
C17A .84898(5) .2192(5) .4881(3) .0544(11) Uani 1.000 C
C18A .85058(5) .2892(6) .7137(3) .0667(13) Uani 1.000 C
C19A .91986(6) .3209(6) .9453(3) .0680(13) Uani 1.000 C
C20A .82695(5) .1433(5) .4848(3) .0631(14) Uani 1.000 C
C21A .82563(7) -.0575(7) .5202(4) .0929(19) Uani 1.000 C
C23A .79586(6) .1640(8) .3466(4) .0968(18) Uani 1.000 C
C24A .78852(6) .2706(7) .2349(4) .0761(16) Uani 1.000 C
C25A .77516(7) .1930(8) .1445(4) .0969(19) Uani 1.000 C
C26A .76875(9) .2920(14) .0406(5) .131(3) Uani 1.000 C
C27A .77567(10) .4654(14) .0276(6) .139(4) Uani 1.000 C
C28A .78870(8) .5448(10) .1186(6) .127(3) Uani 1.000 C
C29A .79511(7) .4458(8) .2200(5) .099(2) Uani 1.000 C
C41A .96695(6) .5022(6) .9403(3) .0658(12) Uani 1.000 C
C42A .97621(6) .5122(6) .7295(3) .0799(14) Uani 1.000 C
O40 1.00000 .7458(5) .50000 .0872(16) Uani 1.000 O
H1A .93300 -.34280 .17830 .0600 Uiso 1.000 H
H1B .93680 -.16520 .10470 .0600 Uiso 1.000 H
H2A .96100 -.27370 .31920 .0650 Uiso 1.000 H
H2B .96860 -.27730 .19010 .0650 Uiso 1.000 H
H3 .96660 .03960 .17940 .0610 Uiso 1.000 H
H5 .93200 .14090 .20330 .0520 Uiso 1.000 H
H6A .91340 .14860 .41760 .0690 Uiso 1.000 H
H6B .92330 .32460 .36620 .0690 Uiso 1.000 H
H7A .88660 .28450 .30380 .0660 Uiso 1.000 H
H7B .90020 .32960 .19960 .0660 Uiso 1.000 H
H11A .88750 -.34350 .18370 .0710 Uiso 1.000 H
H11B .90280 -.31810 .08510 .0710 Uiso 1.000 H
H12A .86690 -.33840 .00630 .0650 Uiso 1.000 H
H12B .87860 -.16880 -.04120 .0650 Uiso 1.000 H
H15 .86080 .34460 .12760 .0710 Uiso 1.000 H
H16A .83420 .26840 -.03880 .0750 Uiso 1.000 H
H16B .82560 .17970 .07550 .0750 Uiso 1.000 H
H17 .84870 .00860 -.09270 .0620 Uiso 1.000 H
H18A .83660 -.10350 .20670 .0970 Uiso 1.000 H
H18B .85720 -.20920 .24750 .0970 Uiso 1.000 H
H18C .84050 -.29750 .15280 .0970 Uiso 1.000 H
H19A .91170 -.32660 .35490 .0920 Uiso 1.000 H
H19B .91260 -.14420 .42970 .0920 Uiso 1.000 H
H19C .93300 -.25310 .41510 .0920 Uiso 1.000 H
H20 .81350 -.13260 .00380 .0720 Uiso 1.000 H
H21A .83430 -.29210 -.18070 .1310 Uiso 1.000 H
H21B .81240 -.35690 -.14920 .1310 Uiso 1.000 H
H21C .83200 -.38310 -.05530 .1310 Uiso 1.000 H
H23A .78320 -.05110 -.10120 .1000 Uiso 1.000 H
H23B .78730 -.15460 -.22000 .1000 Uiso 1.000 H
H25 .80200 .29270 -.24470 .0940 Uiso 1.000 H
H26 .78410 .52300 -.35400 .1130 Uiso 1.000 H
H27 .74950 .48290 -.42320 .1230 Uiso 1.000 H
H28 .73320 .21230 -.38710 .1290 Uiso 1.000 H
H29 .75110 -.01900 -.28010 .1080 Uiso 1.000 H
H31O .99340 -.13250 .33900 .0990 Uiso .500 H
H32O .99750 .00260 .23470 .0990 Uiso .500 H
H41A .95910 .34450 .24920 .1140 Uiso 1.000 H
H41B .97730 .30540 .35020 .1140 Uiso 1.000 H
H41C .95590 .37600 .38510 .1140 Uiso 1.000 H
H42A .94880 .10030 .51780 .0940 Uiso 1.000 H
H42B .97250 .08310 .50550 .0940 Uiso 1.000 H
H42C .95800 -.08710 .47960 .0940 Uiso 1.000 H
H1C .92860 -.00870 .87940 .0680 Uiso 1.000 H
H1D .93670 .01740 .75290 .0680 Uiso 1.000 H
H2C .95860 .12680 .97470 .0770 Uiso 1.000 H
H2D .96480 -.03930 .89650 .0770 Uiso 1.000 H
H3B .97100 .16180 .74190 .0640 Uiso 1.000 H
H3C .99480 .23920 .95510 .1070 Uiso .500 H
H3D .99840 .07660 .86770 .1070 Uiso .500 H
H5A .94120 .34550 .68050 .0530 Uiso 1.000 H
H11C .88530 .09090 .82280 .0780 Uiso 1.000 H
H11D .90070 -.02790 .75650 .0780 Uiso 1.000 H
H12C .88140 .00540 .57460 .0750 Uiso 1.000 H
H12D .86550 -.04460 .66650 .0750 Uiso 1.000 H
H15A .87690 .58960 .47370 .0720 Uiso 1.000 H
H16C .84910 .41910 .35320 .0770 Uiso 1.000 H
H16D .83850 .49020 .46580 .0770 Uiso 1.000 H
H17A .85620 .14260 .43360 .0650 Uiso 1.000 H
H18D .84320 .39970 .68990 .1000 Uiso 1.000 H
H18E .86000 .31270 .78430 .1000 Uiso 1.000 H
H18F .84090 .19600 .73130 .1000 Uiso 1.000 H
H19D .91000 .23600 .97200 .1020 Uiso 1.000 H
H19E .91390 .44140 .93930 .1020 Uiso 1.000 H
H19F .93210 .32270 1.00210 .1020 Uiso 1.000 H
H20A .81930 .21660 .53920 .0760 Uiso 1.000 H
H21D .83430 -.12940 .47370 .1390 Uiso 1.000 H
H21E .81150 -.09870 .50480 .1390 Uiso 1.000 H
H21F .83020 -.07120 .60450 .1390 Uiso 1.000 H
H23C .79020 .21640 .41600 .1160 Uiso 1.000 H
H23D .79130 .03760 .33790 .1160 Uiso 1.000 H
H25A .77040 .07380 .15310 .1160 Uiso 1.000 H
H26A .75970 .23920 -.01990 .1570 Uiso 1.000 H
H27A .77160 .53070 -.04270 .1660 Uiso 1.000 H
H28A .79310 .66520 .11110 .1520 Uiso 1.000 H
H29A .80420 .49930 .28020 .1180 Uiso 1.000 H
H41D .98140 .52670 .96020 .0990 Uiso 1.000 H
H41E .96210 .42460 1.00090 .0990 Uiso 1.000 H
H41F .95940 .61550 .93650 .0990 Uiso 1.000 H
H42D .97350 .46200 .64980 .1200 Uiso 1.000 H
H42E .99070 .50180 .75580 .1200 Uiso 1.000 H
H42F .97220 .63900 .72850 .1200 Uiso 1.000 H
H61A .92570 .62750 .81350 .0740 Uiso 1.000 H
H62A .93920 .66560 .70760 .0740 Uiso 1.000 H
H71A .90180 .66390 .65440 .0720 Uiso 1.000 H
H72A .91500 .55850 .56730 .0720 Uiso 1.000 H
H40A 1.00000 .6238(5) .50000 .1310 Uiso 1.000 H
H40B .9991(15) .7663(6) .5780(15) .1310 Uiso .500 H
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
O3 C3 . . 1.437(4) no
O22 C20 . . 1.439(4) no
O22 C23 . . 1.409(4) no
O3 H32O . . .9593 no
O3 H31O . . .9599 no
O3A C3A . . 1.449(4) no
O22A C20A . . 1.434(4) no
O22A C23A . . 1.416(4) no
O3A H3D . . .9604 no
O3A H3C . . .9597 no
O40 H40B . . .89(2) no
O40 H40A . . .890(5) no
C1 C2 . . 1.526(5) no
C1 C10 . . 1.557(4) no
C2 C3 . . 1.512(5) no
C3 C4 . . 1.545(5) no
C4 C42 . . 1.547(4) no
C4 C41 . . 1.543(5) no
C4 C5 . . 1.559(4) no
C5 C6 . . 1.521(5) no
C5 C10 . . 1.559(4) no
C6 C7 . . 1.521(5) no
C7 C8 . . 1.508(5) no
C8 C14 . . 1.470(5) no
C8 C9 . . 1.360(4) no
C9 C11 . . 1.525(5) no
C9 C10 . . 1.534(4) no
C10 C19 . . 1.556(4) no
C11 C12 . . 1.527(5) no
C12 C13 . . 1.543(5) no
C13 C18 . . 1.554(5) no
C13 C17 . . 1.554(5) no
C13 C14 . . 1.518(5) no
C14 C15 . . 1.339(5) no
C15 C16 . . 1.499(5) no
C16 C17 . . 1.531(5) no
C17 C20 . . 1.529(5) no
C20 C21 . . 1.515(6) no
C23 C24 . . 1.508(6) no
C24 C25 . . 1.387(6) no
C24 C29 . . 1.378(6) no
C25 C26 . . 1.388(7) no
C26 C27 . . 1.383(7) no
C27 C28 . . 1.363(9) no
C28 C29 . . 1.385(8) no
C1 H1A . . .9698 no
C1 H1B . . .9697 no
C2 H2A . . .9700 no
C2 H2B . . .9692 no
C3 H3 . . .9809 no
C5 H5 . . .9800 no
C6 H6B . . .9705 no
C6 H6A . . .9692 no
C7 H7B . . .9711 no
C7 H7A . . .9681 no
C11 H11A . . .9705 no
C11 H11B . . .9721 no
C12 H12A . . .9713 no
C12 H12B . . .9719 no
C15 H15 . . .9298 no
C16 H16A . . .9700 no
C16 H16B . . .9689 no
C17 H17 . . .9787 no
C18 H18B . . .9604 no
C18 H18A . . .9596 no
C18 H18C . . .9605 no
C19 H19C . . .9577 no
C19 H19A . . .9601 no
C19 H19B . . .9611 no
C20 H20 . . .9788 no
C21 H21B . . .9622 no
C21 H21C . . .9611 no
C21 H21A . . .9620 no
C23 H23A . . .9706 no
C23 H23B . . .9699 no
C25 H25 . . .9298 no
C26 H26 . . .9307 no
C27 H27 . . .9287 no
C28 H28 . . .9323 no
C29 H29 . . .9298 no
C41 H41C . . .9601 no
C41 H41A . . .9598 no
C41 H41B . . .9613 no
C42 H42B . . .9583 no
C42 H42A . . .9591 no
C42 H42C . . .9597 no
C1A C10A . . 1.547(5) no
C1A C2A . . 1.527(5) no
C2A C3A . . 1.506(5) no
C3A C4A . . 1.532(5) no
C4A C41A . . 1.538(5) no
C4A C5A . . 1.569(4) no
C4A C42A . . 1.546(5) no
C5A C10A . . 1.556(4) no
C5A C6A . . 1.519(5) no
C6A C7A . . 1.518(5) no
C7A C8A . . 1.504(5) no
C8A C9A . . 1.355(4) no
C8A C14A . . 1.464(5) no
C9A C11A . . 1.518(5) no
C9A C10A . . 1.548(4) no
C10A C19A . . 1.556(4) no
C11A C12A . . 1.527(5) no
C12A C13A . . 1.524(5) no
C13A C18A . . 1.546(5) no
C13A C17A . . 1.549(5) no
C13A C14A . . 1.531(5) no
C14A C15A . . 1.338(5) no
C15A C16A . . 1.504(5) no
C16A C17A . . 1.539(6) no
C17A C20A . . 1.530(5) no
C20A C21A . . 1.521(6) no
C23A C24A . . 1.502(7) no
C24A C29A . . 1.363(8) no
C24A C25A . . 1.379(6) no
C25A C26A . . 1.391(9) no
C26A C27A . . 1.355(14) no
C27A C28A . . 1.378(10) no
C28A C29A . . 1.368(9) no
C1A H1C . . .9707 no
C1A H1D . . .9693 no
C2A H2C . . .9696 no
C2A H2D . . .9691 no
C3A H3B . . .9801 no
C5A H5A . . .9799 no
C6A H61A . . .9686 no
C6A H62A . . .9689 no
C7A H72A . . .9691 no
C7A H71A . . .9693 no
C11A H11D . . .9710 no
C11A H11C . . .9697 no
C12A H12C . . .9719 no
C12A H12D . . .9712 no
C15A H15A . . .9301 no
C16A H16C . . .9694 no
C16A H16D . . .9715 no
C17A H17A . . .9801 no
C18A H18D . . .9604 no
C18A H18F . . .9598 no
C18A H18E . . .9596 no
C19A H19E . . .9596 no
C19A H19D . . .9600 no
C19A H19F . . .9622 no
C20A H20A . . .9815 no
C21A H21D . . .9600 no
C21A H21F . . .9601 no
C21A H21E . . .9631 no
C23A H23D . . .9699 no
C23A H23C . . .9691 no
C25A H25A . . .9309 no
C26A H26A . . .9297 no
C27A H27A . . .9310 no
C28A H28A . . .9298 no
C29A H29A . . .9311 no
C41A H41E . . .9593 no
C41A H41F . . .9593 no
C41A H41D . . .9575 no
C42A H42F . . .9604 no
C42A H42D . . .9597 no
C42A H42E . . .9581 no