#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:56:53 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179039 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/01/4300157.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_4300157
loop_
_publ_author_name
'Christopher J. Chang'
'Yongqi Deng'
'Alan F. Heyduk'
'C. K. Chang'
'Daniel G. Nocera'
_publ_section_title
;
Xanthene-Bridged Cofacial Bisporphyrins
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              959
_journal_page_last               966
_journal_paper_doi               10.1021/ic990987+
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C79 H82 N8 Ni2 O'
_chemical_formula_weight         1276.95
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.553(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.1671(4)
_cell_length_b                   10.669
_cell_length_c                   50.5080(9)
_cell_measurement_temperature    183(2)
_cell_volume                     12842.0(3)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.321
_refine_ls_R_factor_obs          0.0768
_refine_ls_wR_factor_obs         0.1460
_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_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4300157
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ni1 Ni 0.30996(5) 0.07177(11) 0.12840(2) 0.0257(4) Uani 1 d . .
Ni2 Ni 0.25531(5) -0.33384(11) 0.09931(2) 0.0256(4) Uani 1 d . .
N1 N 0.2666(3) -0.0508(6) 0.14470(14) 0.024(2) Uani 1 d . .
N2 N 0.3757(3) 0.0258(6) 0.15421(14) 0.023(2) Uani 1 d . .
N3 N 0.3524(3) 0.1979(7) 0.11236(13) 0.025(2) Uani 1 d . .
N4 N 0.2446(3) 0.1144(7) 0.10286(14) 0.027(2) Uani 1 d . .
N5 N 0.2386(3) -0.4603(7) 0.12522(13) 0.024(2) Uani 1 d . .
N6 N 0.3320(3) -0.3298(6) 0.11835(13) 0.024(2) Uani 1 d . .
N7 N 0.2719(3) -0.2045(7) 0.07424(13) 0.024(2) Uani 1 d . .
N8 N 0.1783(3) -0.3432(7) 0.07910(14) 0.030(2) Uani 1 d . .
O1 O 0.3518(2) -0.3483(5) 0.19873(11) 0.029(2) Uani 1 d . .
C1 C 0.2138(4) -0.0956(8) 0.1343(2) 0.022(2) Uani 1 d . .
C2 C 0.1933(4) -0.1768(8) 0.1530(2) 0.026(2) Uani 1 d . .
C2A C 0.1352(4) -0.2312(9) 0.1483(2) 0.037(3) Uani 1 d . .
H2AA H 0.1357(4) -0.3134(9) 0.1574(2) 0.044 Uiso 1 calc R .
H2AB H 0.1230(4) -0.2450(9) 0.1288(2) 0.044 Uiso 1 calc R .
C2B C 0.0935(3) -0.1446(9) 0.1588(2) 0.041(3) Uani 1 d . .
H2BA H 0.0561(3) -0.1826(9) 0.1555(2) 0.061 Uiso 1 calc R .
H2BB H 0.0925(3) -0.0636(9) 0.1496(2) 0.061 Uiso 1 calc R .
H2BC H 0.1052(3) -0.1320(9) 0.1782(2) 0.061 Uiso 1 calc R .
C3 C 0.2326(4) -0.1832(8) 0.1752(2) 0.025(2) Uani 1 d . .
C3A C 0.2264(4) -0.2587(9) 0.1995(2) 0.035(3) Uani 1 d . .
H3AA H 0.2602(4) -0.2492(9) 0.2131(2) 0.053 Uiso 1 calc R .
H3AB H 0.2214(4) -0.3473(9) 0.1945(2) 0.053 Uiso 1 calc R .
H3AC H 0.1937(4) -0.2292(9) 0.2068(2) 0.053 Uiso 1 calc R .
C4 C 0.2795(4) -0.1074(7) 0.1697(2) 0.021(2) Uani 1 d . .
C5 C 0.3324(4) -0.0980(7) 0.1859(2) 0.023(2) Uani 1 d . .
C6 C 0.3793(4) -0.0451(8) 0.1777(2) 0.023(2) Uani 1 d . .
C7 C 0.4376(4) -0.0563(8) 0.1904(2) 0.021(2) Uani 1 d . .
C7A C 0.4622(4) -0.1304(9) 0.2148(2) 0.040(3) Uani 1 d . .
H7AA H 0.4318(4) -0.1678(9) 0.2228(2) 0.060 Uiso 1 calc R .
H7AB H 0.4845(4) -0.0748(9) 0.2278(2) 0.060 Uiso 1 calc R .
H7AC H 0.4862(4) -0.1969(9) 0.2096(2) 0.060 Uiso 1 calc R .
C8 C 0.4681(3) 0.0072(8) 0.1746(2) 0.024(2) Uani 1 d . .
C8A C 0.5303(4) 0.0304(9) 0.1807(2) 0.037(3) Uani 1 d . .
H8AA H 0.5434(4) 0.0578(9) 0.1641(2) 0.044 Uiso 1 calc R .
H8AB H 0.5495(4) -0.0492(9) 0.1866(2) 0.044 Uiso 1 calc R .
C8B C 0.5465(4) 0.1293(10) 0.2025(2) 0.053(3) Uani 1 d . .
H8BA H 0.5873(4) 0.1405(10) 0.2056(2) 0.079 Uiso 1 calc R .
H8BB H 0.5344(4) 0.1019(10) 0.2191(2) 0.079 Uiso 1 calc R .
H8BC H 0.5283(4) 0.2089(10) 0.1966(2) 0.079 Uiso 1 calc R .
C9 C 0.4305(4) 0.0593(8) 0.1529(2) 0.024(2) Uani 1 d . .
C10 C 0.4466(4) 0.1386(8) 0.1344(2) 0.027(2) Uani 1 d . .
H10A H 0.4856(4) 0.1465(8) 0.1339(2) 0.033 Uiso 1 calc R .
C11 C 0.4093(4) 0.2089(8) 0.1160(2) 0.030(2) Uani 1 d . .
C12 C 0.4267(4) 0.3108(9) 0.1000(2) 0.033(3) Uani 1 d . .
C12A C 0.4858(4) 0.3485(9) 0.0980(2) 0.045(3) Uani 1 d . .
H12A H 0.5122(4) 0.2914(9) 0.1088(2) 0.068 Uiso 1 calc R .
H12B H 0.4926(4) 0.4343(9) 0.1047(2) 0.068 Uiso 1 calc R .
H12C H 0.4912(4) 0.3442(9) 0.0792(2) 0.068 Uiso 1 calc R .
C13 C 0.3789(4) 0.3673(8) 0.0879(2) 0.030(2) Uani 1 d . .
C13A C 0.3736(4) 0.4776(9) 0.0692(2) 0.040(3) Uani 1 d . .
H13A H 0.4016(4) 0.5418(9) 0.0766(2) 0.048 Uiso 1 calc R .
H13B H 0.3359(4) 0.5149(9) 0.0684(2) 0.048 Uiso 1 calc R .
C13B C 0.3824(4) 0.4432(10) 0.0410(2) 0.052(3) Uani 1 d . .
H13C H 0.3785(4) 0.5184(10) 0.0297(2) 0.078 Uiso 1 calc R .
H13D H 0.3543(4) 0.3811(10) 0.0335(2) 0.078 Uiso 1 calc R .
H13E H 0.4200(4) 0.4080(10) 0.0417(2) 0.078 Uiso 1 calc R .
C14 C 0.3327(4) 0.2952(9) 0.0950(2) 0.031(2) Uani 1 d . .
C15 C 0.2770(4) 0.3079(8) 0.0842(2) 0.031(2) Uani 1 d . .
H15A H 0.2658(4) 0.3825(8) 0.0745(2) 0.037 Uiso 1 calc R .
C16 C 0.2357(4) 0.2197(9) 0.0863(2) 0.031(2) Uani 1 d . .
C17 C 0.1810(4) 0.2207(9) 0.0701(2) 0.031(2) Uani 1 d . .
C17A C 0.1559(4) 0.3218(9) 0.0511(2) 0.045(3) Uani 1 d . .
H17A H 0.1775(4) 0.4001(9) 0.0553(2) 0.054 Uiso 1 calc R .
H17B H 0.1169(4) 0.3377(9) 0.0539(2) 0.054 Uiso 1 calc R .
C17B C 0.1551(5) 0.2904(11) 0.0219(2) 0.076(4) Uani 1 d . .
H17C H 0.1382(5) 0.3599(11) 0.0107(2) 0.114 Uiso 1 calc R .
H17D H 0.1329(5) 0.2141(11) 0.0173(2) 0.114 Uiso 1 calc R .
H17E H 0.1936(5) 0.2766(11) 0.0188(2) 0.114 Uiso 1 calc R .
C18 C 0.1563(4) 0.1108(9) 0.0751(2) 0.029(2) Uani 1 d . .
C18A C 0.1002(4) 0.0604(9) 0.0635(2) 0.040(3) Uani 1 d . .
H18A H 0.0951(4) -0.0219(9) 0.0714(2) 0.060 Uiso 1 calc R .
H18B H 0.0976(4) 0.0518(9) 0.0440(2) 0.060 Uiso 1 calc R .
H18C H 0.0710(4) 0.1179(9) 0.0674(2) 0.060 Uiso 1 calc R .
C19 C 0.1956(4) 0.0482(9) 0.0961(2) 0.028(2) Uani 1 d . .
C20 C 0.1831(3) -0.0543(9) 0.1106(2) 0.029(2) Uani 1 d . .
H20A H 0.1504(3) -0.1007(9) 0.1035(2) 0.034 Uiso 1 calc R .
C21 C 0.1865(4) -0.5120(9) 0.1259(2) 0.029(2) Uani 1 d . .
C22 C 0.1877(4) -0.5926(9) 0.1487(2) 0.029(2) Uani 1 d . .
C22A C 0.1384(4) -0.6635(9) 0.1560(2) 0.039(3) Uani 1 d . .
H22A H 0.1034(4) -0.6278(9) 0.1458(2) 0.047 Uiso 1 calc R .
H22B H 0.1375(4) -0.6521(9) 0.1753(2) 0.047 Uiso 1 calc R .
C22B C 0.1405(4) -0.8036(9) 0.1499(2) 0.056(3) Uani 1 d . .
H22C H 0.1076(4) -0.8450(9) 0.1549(2) 0.083 Uiso 1 calc R .
H22D H 0.1747(4) -0.8399(9) 0.1601(2) 0.083 Uiso 1 calc R .
H22E H 0.1405(4) -0.8156(9) 0.1306(2) 0.083 Uiso 1 calc R .
C23 C 0.2409(4) -0.5917(8) 0.1625(2) 0.029(2) Uani 1 d . .
C23A C 0.2577(4) -0.6641(10) 0.1878(2) 0.046(3) Uani 1 d . .
H23A H 0.2977(4) -0.6507(10) 0.1945(2) 0.069 Uiso 1 calc R .
H23B H 0.2508(4) -0.7535(10) 0.1842(2) 0.069 Uiso 1 calc R .
H23C H 0.2357(4) -0.6357(10) 0.2013(2) 0.069 Uiso 1 calc R .
C24 C 0.2735(4) -0.5097(8) 0.1473(2) 0.021(2) Uani 1 d . .
C25 C 0.3302(4) -0.4878(8) 0.1535(2) 0.022(2) Uani 1 d . .
C26 C 0.3588(3) -0.4064(8) 0.1391(2) 0.020(2) Uani 1 d . .
C27 C 0.4184(4) -0.3776(9) 0.1447(2) 0.027(2) Uani 1 d . .
C27A C 0.4643(3) -0.4446(9) 0.1634(2) 0.039(3) Uani 1 d . .
H27A H 0.4478(3) -0.5119(9) 0.1728(2) 0.059 Uiso 1 calc R .
H27B H 0.4836(3) -0.3850(9) 0.1766(2) 0.059 Uiso 1 calc R .
H27C H 0.4912(3) -0.4805(9) 0.1530(2) 0.059 Uiso 1 calc R .
C28 C 0.4273(3) -0.2806(8) 0.1290(2) 0.024(2) Uani 1 d . .
C28A C 0.4827(4) -0.2199(9) 0.1260(2) 0.035(3) Uani 1 d . .
H28A H 0.5092(4) -0.2302(9) 0.1430(2) 0.042 Uiso 1 calc R .
H28B H 0.4766(4) -0.1289(9) 0.1229(2) 0.042 Uiso 1 calc R .
C28B C 0.5089(4) -0.2742(10) 0.1032(2) 0.049(3) Uani 1 d . .
H28C H 0.5444(4) -0.2312(10) 0.1024(2) 0.074 Uiso 1 calc R .
H28D H 0.4833(4) -0.2625(10) 0.0862(2) 0.074 Uiso 1 calc R .
H28E H 0.5160(4) -0.3638(10) 0.1064(2) 0.074 Uiso 1 calc R .
C29 C 0.3740(4) -0.2515(9) 0.1127(2) 0.025(2) Uani 1 d . .
C30 C 0.3677(4) -0.1578(9) 0.0941(2) 0.029(2) Uani 1 d . .
H30A H 0.3989(4) -0.1040(9) 0.0937(2) 0.034 Uiso 1 calc R .
C31 C 0.3203(4) -0.1348(8) 0.0759(2) 0.028(2) Uani 1 d . .
C32 C 0.3162(4) -0.0424(9) 0.0548(2) 0.031(2) Uani 1 d . .
C32A C 0.3616(4) 0.0477(9) 0.0507(2) 0.046(3) Uani 1 d . .
H32A H 0.3938(4) 0.0369(9) 0.0651(2) 0.069 Uiso 1 calc R .
H32B H 0.3475(4) 0.1337(9) 0.0511(2) 0.069 Uiso 1 calc R .
H32C H 0.3732(4) 0.0315(9) 0.0334(2) 0.069 Uiso 1 calc R .
C33 C 0.2652(4) -0.0577(9) 0.0395(2) 0.031(2) Uani 1 d . .
C33A C 0.2416(4) 0.0085(9) 0.0140(2) 0.040(3) Uani 1 d . .
H33A H 0.2582(4) 0.0935(9) 0.0143(2) 0.048 Uiso 1 calc R .
H33B H 0.2006(4) 0.0182(9) 0.0131(2) 0.048 Uiso 1 calc R .
C33B C 0.2525(5) -0.0590(11) -0.0109(2) 0.066(4) Uani 1 d . .
H33C H 0.2362(5) -0.0112(11) -0.0268(2) 0.099 Uiso 1 calc R .
H33D H 0.2355(5) -0.1426(11) -0.0116(2) 0.099 Uiso 1 calc R .
H33E H 0.2931(5) -0.0672(11) -0.0104(2) 0.099 Uiso 1 calc R .
C34 C 0.2376(4) -0.1559(9) 0.0519(2) 0.031(2) Uani 1 d . .
C35 C 0.1832(4) -0.1967(9) 0.0430(2) 0.036(3) Uani 1 d . .
H35A H 0.1638(4) -0.1619(9) 0.0268(2) 0.043 Uiso 1 calc R .
C36 C 0.1555(4) -0.2833(9) 0.0558(2) 0.031(2) Uani 1 d . .
C37 C 0.0972(4) -0.3156(9) 0.0475(2) 0.036(3) Uani 1 d . .
C37A C 0.0589(4) -0.2673(10) 0.0227(2) 0.052(3) Uani 1 d . .
H37A H 0.0194(4) -0.2729(10) 0.0256(2) 0.062 Uiso 1 calc R .
H37B H 0.0674(4) -0.1779(10) 0.0200(2) 0.062 Uiso 1 calc R .
C37B C 0.0649(5) -0.3389(13) -0.0022(2) 0.090(5) Uani 1 d . .
H37C H 0.0394(5) -0.3040(13) -0.0175(2) 0.136 Uiso 1 calc R .
H37D H 0.0557(5) -0.4272(13) 0.0001(2) 0.136 Uiso 1 calc R .
H37E H 0.1037(5) -0.3322(13) -0.0055(2) 0.136 Uiso 1 calc R .
C38 C 0.0836(4) -0.3961(9) 0.0661(2) 0.037(3) Uani 1 d . .
C38A C 0.0284(4) -0.4599(10) 0.0671(2) 0.052(3) Uani 1 d . .
H38A H 0.0319(4) -0.5128(10) 0.0832(2) 0.078 Uiso 1 calc R .
H38B H 0.0181(4) -0.5120(10) 0.0510(2) 0.078 Uiso 1 calc R .
H38C H -0.0007(4) -0.3965(10) 0.0677(2) 0.078 Uiso 1 calc R .
C39 C 0.1340(4) -0.4146(9) 0.0857(2) 0.033(3) Uani 1 d . .
C40 C 0.1389(4) -0.4917(8) 0.1076(2) 0.031(2) Uani 1 d . .
H40A H 0.1061(4) -0.5354(8) 0.1103(2) 0.037 Uiso 1 calc R .
C41 C 0.3532(3) -0.2729(8) 0.2209(2) 0.024(2) Uani 1 d . .
C42 C 0.3401(3) -0.1455(8) 0.2143(2) 0.023(2) Uani 1 d . .
C43 C 0.3375(4) -0.0640(9) 0.2353(2) 0.032(2) Uani 1 d . .
H43A H 0.3284(4) 0.0215(9) 0.2316(2) 0.038 Uiso 1 calc R .
C44 C 0.3478(4) -0.1049(10) 0.2618(2) 0.044(3) Uani 1 d . .
H44A H 0.3447(4) -0.0487(10) 0.2761(2) 0.053 Uiso 1 calc R .
C45 C 0.3627(4) -0.2282(10) 0.2671(2) 0.037(3) Uani 1 d . .
H45A H 0.3709(4) -0.2546(10) 0.2852(2) 0.044 Uiso 1 calc R .
C46 C 0.3662(3) -0.3157(9) 0.2471(2) 0.025(2) Uani 1 d . .
C47 C 0.3824(4) -0.4522(8) 0.2535(2) 0.028(2) Uani 1 d . .
C47A C 0.3370(4) -0.5151(9) 0.2664(2) 0.047(3) Uani 1 d . .
H47A H 0.3331(4) -0.4710(9) 0.2830(2) 0.071 Uiso 1 calc R .
H47B H 0.3473(4) -0.6026(9) 0.2705(2) 0.071 Uiso 1 calc R .
H47C H 0.3012(4) -0.5121(9) 0.2540(2) 0.071 Uiso 1 calc R .
C47B C 0.4386(4) -0.4540(10) 0.2733(2) 0.050(3) Uani 1 d . .
H47D H 0.4678(4) -0.4135(10) 0.2650(2) 0.075 Uiso 1 calc R .
H47E H 0.4494(4) -0.5409(10) 0.2778(2) 0.075 Uiso 1 calc R .
H47F H 0.4341(4) -0.4087(10) 0.2897(2) 0.075 Uiso 1 calc R .
C48 C 0.3877(4) -0.5224(9) 0.2277(2) 0.027(2) Uani 1 d . .
C49 C 0.4069(4) -0.6470(9) 0.2283(2) 0.037(3) Uani 1 d . .
H49A H 0.4218(4) -0.6853(9) 0.2450(2) 0.045 Uiso 1 calc R .
C50 C 0.4041(4) -0.7140(9) 0.2046(2) 0.041(3) Uani 1 d . .
H50A H 0.4188(4) -0.7967(9) 0.2053(2) 0.049 Uiso 1 calc R .
C51 C 0.3812(4) -0.6653(9) 0.1804(2) 0.033(2) Uani 1 d . .
H51A H 0.3784(4) -0.7146(9) 0.1646(2) 0.039 Uiso 1 calc R .
C52 C 0.3618(3) -0.5424(8) 0.1791(2) 0.023(2) Uani 1 d . .
C53 C 0.3681(3) -0.4728(8) 0.2025(2) 0.022(2) Uani 1 d . .
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
Ni1 N4 1.920(7) . ?
Ni1 N1 1.942(7) . ?
Ni1 N2 1.943(7) . ?
Ni1 N3 1.948(7) . ?
Ni2 N6 1.941(7) . ?
Ni2 N7 1.958(7) . ?
Ni2 N5 1.968(7) . ?
Ni2 N8 1.971(7) . ?
N1 C1 1.382(10) . ?
N1 C4 1.386(10) . ?
N2 C9 1.383(10) . ?
N2 C6 1.396(10) . ?
N3 C11 1.363(11) . ?
N3 C14 1.391(11) . ?
N4 C19 1.375(11) . ?
N4 C16 1.394(11) . ?
N5 C21 1.379(10) . ?
N5 C24 1.387(10) . ?
N6 C29 1.381(10) . ?
N6 C26 1.399(10) . ?
N7 C31 1.378(11) . ?
N7 C34 1.386(11) . ?
N8 C36 1.371(11) . ?
N8 C39 1.399(11) . ?
O1 C41 1.375(9) . ?
O1 C53 1.390(10) . ?
C1 C20 1.375(11) . ?
C1 C2 1.427(11) . ?
C2 C3 1.347(11) . ?
C2 C2A 1.500(12) . ?
C2A C2B 1.528(12) . ?
C3 C4 1.456(11) . ?
C3 C3A 1.495(11) . ?
C4 C5 1.403(11) . ?
C5 C6 1.391(11) . ?
C5 C42 1.506(11) . ?
C6 C7 1.452(11) . ?
C7 C8 1.353(11) . ?
C7 C7A 1.501(11) . ?
C8 C9 1.417(11) . ?
C8 C8A 1.504(11) . ?
C8A C8B 1.526(12) . ?
C9 C10 1.366(12) . ?
C10 C11 1.399(12) . ?
C11 C12 1.456(12) . ?
C12 C13 1.355(12) . ?
C12 C12A 1.505(12) . ?
C13 C14 1.450(12) . ?
C13 C13A 1.500(12) . ?
C13A C13B 1.520(12) . ?
C14 C15 1.373(12) . ?
C15 C16 1.387(12) . ?
C16 C17 1.436(12) . ?
C17 C18 1.358(12) . ?
C17 C17A 1.506(12) . ?
C17A C17B 1.507(13) . ?
C18 C19 1.460(12) . ?
C18 C18A 1.486(12) . ?
C19 C20 1.377(12) . ?
C21 C40 1.370(12) . ?
C21 C22 1.434(12) . ?
C22 C23 1.355(11) . ?
C22 C22A 1.506(12) . ?
C22A C22B 1.529(13) . ?
C23 C24 1.474(12) . ?
C23 C23A 1.491(12) . ?
C24 C25 1.375(11) . ?
C25 C26 1.389(11) . ?
C25 C52 1.504(12) . ?
C26 C27 1.454(11) . ?
C27 C28 1.345(11) . ?
C27 C27A 1.512(12) . ?
C28 C29 1.440(11) . ?
C28 C28A 1.517(11) . ?
C28A C28B 1.518(12) . ?
C29 C30 1.365(12) . ?
C30 C31 1.365(11) . ?
C31 C32 1.445(12) . ?
C32 C33 1.352(12) . ?
C32 C32A 1.498(12) . ?
C33 C34 1.441(12) . ?
C33 C33A 1.494(12) . ?
C33A C33B 1.510(12) . ?
C34 C35 1.386(12) . ?
C35 C36 1.365(12) . ?
C36 C37 1.445(12) . ?
C37 C38 1.354(13) . ?
C37 C37A 1.520(13) . ?
C37A C37B 1.497(14) . ?
C38 C39 1.449(12) . ?
C38 C38A 1.505(13) . ?
C39 C40 1.368(12) . ?
C41 C46 1.385(11) . ?
C41 C42 1.421(12) . ?
C42 C43 1.380(11) . ?
C43 C44 1.390(12) . ?
C44 C45 1.377(13) . ?
C45 C46 1.389(12) . ?
C46 C47 1.529(12) . ?
C47 C47A 1.523(12) . ?
C47 C48 1.527(12) . ?
C47 C47B 1.546(12) . ?
C48 C53 1.387(11) . ?
C48 C49 1.407(12) . ?
C49 C50 1.388(12) . ?
C50 C51 1.356(12) . ?
C51 C52 1.390(12) . ?
C52 C53 1.385(11) . ?
