#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008578.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_2008578
loop_
_publ_author_name
'Gzella, Andrzej'
'Linkowska, Ewa'
'Zaprutko, Lucjusz'
'Wrzeciono, Urszula'
_publ_section_title
;
Triterpenoide. XIV. [2,3-d]Isoxazoltriterpenderivate
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1031
_journal_page_last               1034
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'C31 H47 N O2'
_chemical_formula_sum            'C31 H47 N O2'
_chemical_formula_weight         465.72
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.000(10)
_cell_angle_beta                 101.310(10)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   6.5284(10)
_cell_length_b                   30.614(2)
_cell_length_c                   13.5481(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2655.1(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.165
_refine_ls_R_factor_obs          .0361
_refine_ls_wR_factor_obs         .0997
_[local]_cod_cif_authors_sg_H-M  'P 21'
_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               2008578
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
N1A .0584(11) .0634(11) .0703(11) .0154(9) .0021(9) .0136(9)
O1A .0716(10) .0468(8) .0732(9) .0122(7) .0081(8) .0120(7)
O2A .0520(8) .0672(9) .0659(9) .0138(6) .0282(7) .0009(7)
C1A .0417(9) .0435(9) .0442(9) .0034(7) .0051(7) .0024(7)
C2A .0400(10) .0483(10) .0455(9) .0072(7) .0098(7) .0071(8)
C3A .0535(11) .0448(9) .0541(10) .0071(8) .0135(8) .0099(8)
C4A .0662(13) .0387(9) .0563(11) .0002(9) .0075(9) .0031(8)
C5A .0503(10) .0388(9) .0436(9) -.0030(7) .0084(7) .0011(7)
C6A .0575(12) .0435(10) .0518(10) -.0089(8) -.0017(8) -.0016(8)
C7A .0554(11) .0424(9) .0427(9) -.0056(8) -.0014(8) -.0026(7)
C8A .0303(8) .0443(9) .0391(8) -.0008(7) .0058(6) .0025(7)
C9A .0349(8) .0415(9) .0335(7) .0017(7) .0048(6) -.0004(6)
C10A .0352(8) .0419(9) .0402(8) .0014(6) .0087(6) .0027(7)
C11A .0629(12) .0476(10) .0364(9) .0109(8) -.0008(8) -.0020(7)
C12A .0547(11) .0425(9) .0400(9) .0063(8) -.0051(8) -.0060(7)
C13A .0359(8) .0410(9) .0361(8) .0058(6) .0073(6) -.0013(6)
C14A .0314(8) .0416(8) .0351(7) .0006(6) .0051(6) -.0008(6)
C15A .0452(10) .0515(10) .0421(9) -.0036(8) -.0046(7) .0003(8)
C16A .0531(11) .0521(10) .0415(9) .0019(9) -.0034(8) .0025(8)
C17A .0423(10) .0476(9) .0410(9) .0095(8) .0037(7) .0040(7)
C18A .0332(8) .0436(9) .0380(8) .0070(7) .0076(6) -.0017(7)
C19A .0495(11) .0490(10) .0421(9) .0135(8) .0122(7) .0000(7)
C20A .0603(12) .0430(10) .0545(10) .0118(9) .0150(9) -.0039(8)
C21A .0782(15) .0462(11) .0606(12) .0152(10) .0164(10) .0078(9)
C22A .0694(13) .0527(11) .0449(10) .0086(9) .0081(9) .0086(8)
C23A .113(2) .0512(13) .0687(14) .0164(13) .0134(14) -.0043(11)
C24A .080(2) .0499(12) .088(2) -.0194(11) .0017(13) .0166(11)
C25A .0466(10) .0610(11) .0512(10) .0059(9) .0179(8) .0140(8)
C26A .0347(9) .0643(12) .0673(12) .0033(9) .0132(8) .0182(10)
C27A .0449(10) .0433(9) .0481(9) .0024(7) .0189(7) -.0008(7)
C28A .0384(10) .0678(13) .0717(13) .0133(9) .0105(9) .0067(10)
C29A .0657(14) .0503(12) .092(2) -.0065(10) .0172(12) -.0128(11)
C30A .099(2) .0489(12) .0736(14) .0209(12) .0256(13) -.0066(10)
C31A .0452(11) .0582(12) .0595(12) .0105(9) .0037(8) .0079(9)
N1B .081(2) .0777(15) .107(2) -.0351(12) .0245(14) -.0380(13)
O1B .0940(14) .0498(9) .123(2) -.0344(9) .0392(12) -.0271(9)
O2B .0382(6) .0473(7) .0568(7) -.0049(5) .0182(5) -.0048(5)
C1B .0422(10) .0424(9) .0582(11) -.0080(7) .0143(8) -.0126(8)
C2B .0442(10) .0502(11) .0697(12) -.0119(8) .0252(9) -.0230(9)
C3B .0589(13) .0410(10) .0841(15) -.0158(9) .0307(11) -.0200(10)
C4B .0660(13) .0322(9) .0862(15) -.0038(9) .0317(11) -.0021(9)
C5B .0455(10) .0322(8) .0634(11) .0008(7) .0217(8) -.0031(7)
C6B .0594(12) .0339(9) .0655(12) .0050(8) .0151(9) .0080(8)
C7B .0539(11) .0375(9) .0496(10) .0022(8) .0077(8) .0061(7)
C8B .0318(8) .0317(8) .0417(8) .0026(6) .0081(6) -.0005(6)
C9B .0307(8) .0326(7) .0429(8) -.0015(6) .0102(6) -.0025(6)
C10B .0368(9) .0351(8) .0503(9) -.0030(6) .0167(7) -.0079(7)
C11B .0532(11) .0385(8) .0405(9) -.0109(8) .0049(7) -.0025(7)
C12B .0531(10) .0347(8) .0417(9) -.0071(7) -.0061(7) .0053(7)
C13B .0313(8) .0311(7) .0377(8) -.0036(6) .0054(6) -.0002(6)
C14B .0295(8) .0334(8) .0368(7) .0018(6) .0070(6) .0007(6)
C15B .0416(9) .0429(9) .0418(9) .0028(7) -.0015(7) .0017(7)
C16B .0490(10) .0474(9) .0376(8) -.0010(8) .0000(7) -.0037(7)
C17B .0361(9) .0394(9) .0402(8) -.0015(7) .0067(6) -.0061(6)
C18B .0291(8) .0324(7) .0400(8) -.0017(6) .0062(6) .0005(6)
C19B .0381(9) .0333(7) .0425(8) -.0042(6) .0104(6) -.0018(6)
C20B .0475(10) .0320(8) .0532(10) -.0035(7) .0127(8) -.0001(7)
C21B .0559(11) .0361(9) .0588(11) -.0058(8) .0174(9) -.0111(8)
C22B .0534(11) .0429(9) .0468(9) -.0026(8) .0122(8) -.0106(7)
C23B .097(2) .0497(12) .104(2) -.0193(12) .042(2) .0070(13)
C24B .087(2) .0358(10) .124(2) .0101(11) .029(2) -.0103(12)
C25B .0481(11) .0476(10) .0671(12) -.0034(8) .0277(9) -.0157(9)
C26B .0342(9) .0430(9) .0643(11) .0045(7) .0107(8) -.0077(8)
C27B .0398(9) .0392(8) .0553(10) .0005(7) .0201(7) -.0041(7)
C28B .0329(9) .0498(10) .0570(10) -.0066(7) .0062(7) -.0070(8)
C29B .0512(12) .0437(10) .090(2) .0067(9) .0078(11) .0065(10)
C30B .0771(15) .0358(9) .0723(13) -.0087(9) .0266(11) .0031(9)
C31B .0518(13) .0718(14) .0806(15) -.0211(11) .0254(11) -.0292(12)
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
N1A -.2108(3) .26220(7) .63456(15) .0654(5) Uani d . 1 . N
O1A -.0721(3) .27570(5) .72337(12) .0647(4) Uani d . 1 . O
O2A .7043(2) -.05014(5) .94790(11) .0594(4) Uani d . 1 . O
C1A .0076(3) .15829(6) .75301(13) .0436(4) Uani d . 1 . C
H1A .0142 .1405 .6945 .048 Uiso calc . 1 . H
H1B -.0937 .1453 .7878 .048 Uiso calc . 1 . H
C2A -.0605(3) .20344(6) .72014(13) .0444(4) Uani d . 1 . C
C3A .0144(3) .23958(7) .77113(15) .0504(4) Uani d . 1 . C
C4A .1718(3) .24320(6) .8665(2) .0543(5) Uani d . 1 . C
C5A .2203(3) .19522(6) .90499(13) .0443(4) Uani d . 1 . C
H5A .1043 .1872 .9375 .048 Uiso calc . 1 . H
C6A .4153(3) .19303(6) .98840(15) .0526(5) Uani d . 1 . C
H6A .5386 .1978 .9598 .057 Uiso calc . 1 . H
H6B .4095 .2159 1.0372 .057 Uiso calc . 1 . H
C7A .4312(3) .14873(6) 1.04074(13) .0484(4) Uani d . 1 . C
H7A .3110 .1450 1.0721 .053 Uiso calc . 1 . H
H7B .5550 .1485 1.0937 .053 Uiso calc . 1 . H
C8A .4420(2) .10986(6) .97010(12) .0380(3) Uani d . 1 . C
C9A .2541(3) .11391(6) .87993(12) .0369(3) Uani d . 1 . C
H9A .1303 .1109 .9103 .040 Uiso calc . 1 . H
C10A .2244(3) .15921(5) .82377(12) .0389(4) Uani d . 1 . C
C11A .2432(3) .07475(6) .80880(13) .0504(4) Uani d . 1 . C
H11A .1195 .0773 .7561 .055 Uiso calc . 1 . H
H11B .3643 .0750 .7772 .055 Uiso calc . 1 . H
C12A .2362(3) .03163(6) .86395(13) .0477(4) Uani d . 1 . C
H12A .2383 .0077 .8172 .052 Uiso calc . 1 . H
H12B .1065 .0299 .8885 .052 Uiso calc . 1 . H
C13A .4190(3) .02663(5) .95220(12) .0376(3) Uani d . 1 . C
H13A .5468 .0286 .9247 .041 Uiso calc . 1 . H
C14A .4249(2) .06508(5) 1.02744(12) .0362(3) Uani d . 1 . C
C15A .6152(3) .05880(6) 1.11441(14) .0481(4) Uani d . 1 . C
H15A .7421 .0619 1.0879 .053 Uiso calc . 1 . H
H15B .6144 .0817 1.1637 .053 Uiso calc . 1 . H
C16A .6192(3) .01483(7) 1.16675(13) .0506(4) Uani d . 1 . C
H16A .5064 .0139 1.2038 .055 Uiso calc . 1 . H
H16B .7497 .0121 1.2150 .055 Uiso calc . 1 . H
C17A .5976(3) -.02397(6) 1.09475(13) .0443(4) Uani d . 1 . C
C18A .4210(3) -.01839(6) 1.00217(12) .0382(3) Uani d . 1 . C
H18A .2854 -.0244 1.0200 .042 Uiso calc . 1 . H
C19A .4813(3) -.05548(6) .93835(13) .0465(4) Uani d . 1 . C
H19A .4115 -.0517 .8679 .051 Uiso calc . 1 . H
C20A .4339(3) -.10117(6) .97564(15) .0521(4) Uani d . 1 . C
C21A .5598(4) -.10688(7) 1.0829(2) .0613(5) Uani d . 1 . C
H21A .5025 -.1312 1.1145 .067 Uiso calc . 1 . H
H21B .7030 -.1141 1.0796 .067 Uiso calc . 1 . H
C22A .5590(4) -.06641(7) 1.14792(15) .0561(5) Uani d . 1 . C
H22A .6659 -.0696 1.2082 .061 Uiso calc . 1 . H
H22B .4251 -.0644 1.1685 .061 Uiso calc . 1 . H
C23A .0747(5) .26832(8) .9433(2) .0783(7) Uani d . 1 . C
H23A .1748 .2709 1.0052 .085 Uiso calc . 1 . H
H23B -.0462 .2529 .9553 .085 Uiso calc . 1 . H
H23C .0344 .2969 .9176 .085 Uiso calc . 1 . H
C24A .3630(4) .26872(8) .8462(2) .0746(7) Uani d . 1 . C
H24A .4650 .2711 .9075 .081 Uiso calc . 1 . H
H24B .3202 .2974 .8218 .081 Uiso calc . 1 . H
H24C .4228 .2535 .7967 .081 Uiso calc . 1 . H
C25A .3850(3) .16819(7) .75730(14) .0518(4) Uani d . 1 . C
H25A .5226 .1690 .7984 .057 Uiso calc . 1 . H
H25B .3547 .1957 .7238 .057 Uiso calc . 1 . H
H25C .3782 .1454 .7081 .057 Uiso calc . 1 . H
C26A .6528(3) .11207(7) .9354(2) .0550(5) Uani d . 1 . C
H26A .6631 .0881 .8911 .060 Uiso calc . 1 . H
H26B .7648 .1105 .9930 .060 Uiso calc . 1 . H
H26C .6619 .1391 .9006 .060 Uiso calc . 1 . H
C27A .2302(3) .06387(6) 1.07518(13) .0441(4) Uani d . 1 . C
H27A .1075 .0677 1.0238 .048 Uiso calc . 1 . H
H27B .2381 .0869 1.1238 .048 Uiso calc . 1 . H
H27C .2232 .0362 1.1079 .048 Uiso calc . 1 . H
C28A .7829(3) -.03000(8) 1.0429(2) .0593(5) Uani d . 1 . C
H28A .8455 -.0020 1.0333 .065 Uiso calc . 1 . H
H28B .8881 -.0484 1.0833 .065 Uiso calc . 1 . H
C29A .2000(4) -.10626(8) .9722(2) .0690(6) Uani d . 1 . C
H29A .1552 -.0848 1.0151 .075 Uiso calc . 1 . H
H29B .1723 -.1350 .9948 .075 Uiso calc . 1 . H
H29C .1253 -.1022 .9043 .075 Uiso calc . 1 . H
C30A .5021(5) -.13555(7) .9069(2) .0727(7) Uani d . 1 . C
H30A .6491 -.1327 .9084 .079 Uiso calc . 1 . H
H30B .4265 -.1314 .8393 .079 Uiso calc . 1 . H
H30C .4735 -.1642 .9298 .079 Uiso calc . 1 . H
C31A -.2009(3) .22008(7) .6352(2) .0552(5) Uani d . 1 . C
H31A -.2777 .2025 .5853 .060 Uiso calc . 1 . H
N1B .8371(4) .48323(8) .6661(2) .0877(7) Uani d . 1 . N
O1B .6988(3) .49485(5) .5752(2) .0866(6) Uani d . 1 . O
O2B -.1725(2) .16911(4) .42332(10) .0462(3) Uani d . 1 . O
C1B .5492(3) .38033(6) .58289(15) .0470(4) Uani d . 1 . C
H1C .5265 .3684 .6462 .051 Uiso calc . 1 . H
H1D .6446 .3611 .5572 .051 Uiso calc . 1 . H
C2B .6448(3) .42477(7) .6006(2) .0528(5) Uani d . 1 . C
C3B .5882(3) .45861(7) .5387(2) .0591(5) Uani d . 1 . C
C4B .4359(4) .46015(6) .4422(2) .0592(5) Uani d . 1 . C
C5B .3647(3) .41177(5) .41707(15) .0455(4) Uani d . 1 . C
H5B .4790 .3985 .3902 .050 Uiso calc . 1 . H
C6B .1757(3) .40860(6) .3320(2) .0526(5) Uani d . 1 . C
H6C .1937 .4281 .2780 .058 Uiso calc . 1 . H
H6D .0519 .4177 .3561 .058 Uiso calc . 1 . H
C7B .1459(3) .36207(6) .29187(14) .0474(4) Uani d . 1 . C
H7C .2670 .3539 .2645 .052 Uiso calc . 1 . H
H7D .0252 .3613 .2372 .052 Uiso calc . 1 . H
C8B .1153(2) .32826(5) .37128(12) .0350(3) Uani d . 1 . C
C9B .2930(2) .33444(5) .46534(12) .0350(3) Uani d . 1 . C
H9B .4204 .3258 .4424 .038 Uiso calc . 1 . H
C10B .3393(3) .38211(5) .50716(13) .0396(4) Uani d . 1 . C
C11B .2727(3) .30143(6) .54716(13) .0447(4) Uani d . 1 . C
H11C .3860 .3056 .6045 .049 Uiso calc . 1 . H
H11D .1420 .3062 .5694 .049 Uiso calc . 1 . H
C12B .2789(3) .25499(5) .50813(13) .0452(4) Uani d . 1 . C
H12C .2579 .2348 .5604 .049 Uiso calc . 1 . H
H12D .4161 .2494 .4934 .049 Uiso calc . 1 . H
C13B .1143(2) .24650(5) .41381(12) .0336(3) Uani d . 1 . C
H13B -.0227 .2505 .4319 .037 Uiso calc . 1 . H
C14B .1302(2) .27995(5) .32948(12) .0332(3) Uani d . 1 . C
C15B -.0504(3) .27017(6) .24027(13) .0434(4) Uani d . 1 . C
H15C -.1822 .2749 .2615 .048 Uiso calc . 1 . H
H15D -.0433 .2905 .1862 .048 Uiso calc . 1 . H
C16B -.0460(3) .22341(6) .20003(13) .0458(4) Uani d . 1 . C
H16C -.1718 .2185 .1498 .050 Uiso calc . 1 . H
H16D .0724 .2205 .1670 .050 Uiso calc . 1 . H
C17B -.0307(3) .18845(5) .28077(12) .0387(3) Uani d . 1 . C
C18B .1254(2) .19919(5) .37840(12) .0339(3) Uani d . 1 . C
H18B .2679 .1923 .3703 .037 Uiso calc . 1 . H
C19B .0522(3) .16552(5) .44725(12) .0376(3) Uani d . 1 . C
H19B .1042 .1733 .5179 .041 Uiso calc . 1 . H
C20B .1179(3) .11857(5) .42723(14) .0438(4) Uani d . 1 . C
C21B .0211(3) .10703(6) .31730(15) .0494(4) Uani d . 1 . C
H21C .0925 .0817 .2975 .054 Uiso calc . 1 . H
H21D -.1243 .0992 .3133 .054 Uiso calc . 1 . H
C22B .0331(3) .14404(6) .24332(14) .0474(4) Uani d . 1 . C
H22C -.0577 .1373 .1795 .052 Uiso calc . 1 . H
H22D .1748 .1460 .2318 .052 Uiso calc . 1 . H
C23B .5472(5) .47721(8) .3596(2) .0807(7) Uani d . 1 . C
H23D .4497 .4783 .2966 .087 Uiso calc . 1 . H
H23E .6602 .4580 .3536 .087 Uiso calc . 1 . H
H23F .6010 .5060 .3771 .087 Uiso calc . 1 . H
C24B .2567(5) .49202(7) .4500(3) .0810(8) Uani d . 1 . C
H24D .1591 .4927 .3870 .087 Uiso calc . 1 . H
H24E .3127 .5207 .4657 .087 Uiso calc . 1 . H
H24F .1868 .4824 .5022 .087 Uiso calc . 1 . H
C25B .1752(3) .39997(6) .5645(2) .0520(5) Uani d . 1 . C
H25D .0418 .4016 .5197 .057 Uiso calc . 1 . H
H25E .2160 .4286 .5900 .057 Uiso calc . 1 . H
H25F .1656 .3809 .6196 .057 Uiso calc . 1 . H
C26B -.1022(3) .33569(6) .39633(15) .0471(4) Uani d . 1 . C
H26D -.1250 .3149 .4460 .052 Uiso calc . 1 . H
H26E -.2072 .3321 .3365 .052 Uiso calc . 1 . H
H26F -.1099 .3647 .4221 .052 Uiso calc . 1 . H
C27B .3357(3) .27330(6) .29134(14) .0433(4) Uani d . 1 . C
H27D .4522 .2791 .3450 .048 Uiso calc . 1 . H
H27E .3395 .2929 .2365 .048 Uiso calc . 1 . H
H27F .3433 .2437 .2688 .048 Uiso calc . 1 . H
C28B -.2310(3) .18357(6) .32191(14) .0469(4) Uani d . 1 . C
H28C -.3035 .2113 .3192 .051 Uiso calc . 1 . H
H28D -.3232 .1624 .2823 .051 Uiso calc . 1 . H
C29B .3554(3) .11439(7) .4475(2) .0623(5) Uani d . 1 . C
H29D .4114 .1339 .4041 .068 Uiso calc . 1 . H
H29E .3930 .0849 .4346 .068 Uiso calc . 1 . H
H29F .4111 .1217 .5164 .068 Uiso calc . 1 . H
C30B .0319(4) .08724(6) .4968(2) .0601(5) Uani d . 1 . C
H30D -.1176 .0896 .4848 .066 Uiso calc . 1 . H
H30E .0886 .0946 .5656 .066 Uiso calc . 1 . H
H30F .0705 .0579 .4838 .066 Uiso calc . 1 . H
C31B .8003(3) .44210(8) .6774(2) .0664(6) Uani d . 1 . C
H31B .8702 .4256 .7313 .072 Uiso calc . 1 . H
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
N1A C31A . 1.291(3) ?
N1A O1A . 1.418(2) ?
O1A C3A . 1.348(2) ?
O2A C28A . 1.429(3) ?
O2A C19A . 1.445(2) ?
C1A C2A . 1.493(2) ?
C1A C10A . 1.547(2) ?
C2A C3A . 1.345(3) ?
C2A C31A . 1.417(3) ?
C3A C4A . 1.489(3) ?
C4A C23A . 1.528(3) ?
C4A C24A . 1.542(3) ?
C4A C5A . 1.570(2) ?
C5A C6A . 1.529(3) ?
C5A C10A . 1.562(2) ?
C6A C7A . 1.524(3) ?
C7A C8A . 1.537(2) ?
C8A C26A . 1.541(2) ?
C8A C9A . 1.557(2) ?
C8A C14A . 1.590(2) ?
C9A C11A . 1.531(2) ?
C9A C10A . 1.575(2) ?
C10A C25A . 1.535(2) ?
C11A C12A . 1.522(3) ?
C12A C13A . 1.522(2) ?
C13A C18A . 1.534(2) ?
C13A C14A . 1.553(2) ?
C14A C27A . 1.536(2) ?
C14A C15A . 1.548(2) ?
C15A C16A . 1.519(3) ?
C16A C17A . 1.526(3) ?
C17A C28A . 1.525(3) ?
C17A C22A . 1.530(3) ?
C17A C18A . 1.538(2) ?
C18A C19A . 1.525(2) ?
C19A C20A . 1.539(3) ?
C20A C29A . 1.527(3) ?
C20A C30A . 1.528(3) ?
C20A C21A . 1.532(3) ?
C21A C22A . 1.521(3) ?
N1B C31B . 1.296(3) ?
N1B O1B . 1.423(3) ?
O1B C3B . 1.362(2) ?
O2B C28B . 1.422(2) ?
O2B C19B . 1.443(2) ?
C1B C2B . 1.496(2) ?
C1B C10B . 1.543(3) ?
C2B C3B . 1.338(3) ?
C2B C31B . 1.408(3) ?
C3B C4B . 1.480(3) ?
C4B C23B . 1.539(3) ?
C4B C24B . 1.543(3) ?
C4B C5B . 1.570(2) ?
C5B C6B . 1.518(3) ?
C5B C10B . 1.556(2) ?
C6B C7B . 1.523(3) ?
C7B C8B . 1.534(2) ?
C8B C26B . 1.540(2) ?
C8B C9B . 1.558(2) ?
C8B C14B . 1.593(2) ?
C9B C11B . 1.525(2) ?
C9B C10B . 1.573(2) ?
C10B C25B . 1.542(2) ?
C11B C12B . 1.520(2) ?
C12B C13B . 1.522(2) ?
C13B C18B . 1.532(2) ?
C13B C14B . 1.553(2) ?
C14B C15B . 1.543(2) ?
C14B C27B . 1.543(2) ?
C15B C16B . 1.534(2) ?
C16B C17B . 1.520(2) ?
C17B C28B . 1.526(2) ?
C17B C22B . 1.537(2) ?
C17B C18B . 1.539(2) ?
C18B C19B . 1.528(2) ?
C19B C20B . 1.539(2) ?
C20B C29B . 1.526(3) ?
C20B C30B . 1.527(3) ?
C20B C21B . 1.540(3) ?
C21B C22B . 1.525(3) ?