#------------------------------------------------------------------------------
#$Date: 2025-08-04 10:03:09 +0300 (Mon, 04 Aug 2025) $
#$Revision: 301442 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/14/7051473.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_7051473
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              897
_journal_page_last               903
_journal_paper_doi               10.1039/a904174e
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C68 H58 N4 O22'
_chemical_formula_weight         1283.18
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.742(2)
_cell_length_b                   17.522(2)
_cell_length_c                   21.814(3)
_cell_measurement_temperature    150(2)
_cell_volume                     6015.9(13)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.417
_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      'P 21/n'
_cod_database_code               7051473
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.57634(13) -0.33210(15) 0.11094(10) 0.0739(7) Uani 1 d . . .
O2 O 0.55977(19) -0.07290(19) 0.10974(12) 0.1005(10) Uani 1 d . . .
O3 O 0.89845(15) -0.31712(19) 0.26116(14) 0.0991(10) Uani 1 d . . .
O4 O 0.89386(14) -0.05667(16) 0.25270(10) 0.0806(7) Uani 1 d . . .
O5 O 0.33983(13) -0.30644(15) 0.36331(11) 0.0720(6) Uani 1 d . . .
O6 O 0.32290(13) -0.04614(15) 0.35524(11) 0.0759(7) Uani 1 d . . .
O7 O 0.66159(14) -0.27955(15) 0.51738(11) 0.0786(7) Uani 1 d . . .
O8 O 0.64592(16) -0.02088(16) 0.50225(10) 0.0775(7) Uani 1 d . . .
N1 N 0.55256(18) -0.2037(2) 0.09901(11) 0.0731(9) Uani 1 d . . .
N2 N 0.91544(15) -0.18744(19) 0.26509(12) 0.0674(8) Uani 1 d . . .
N3 N 0.31047(15) -0.17753(17) 0.35352(13) 0.0662(8) Uani 1 d . . .
N4 N 0.66794(16) -0.14874(18) 0.52253(10) 0.0620(7) Uani 1 d . . .
C1 C 0.2365(2) -0.1828(2) 0.3120(2) 0.0899(13) Uani 1 d . . .
H1A H 0.1997 -0.1374 0.3170 0.108 Uiso 1 calc R . .
H1B H 0.2028 -0.2288 0.3217 0.108 Uiso 1 calc R . .
C2 C 0.2660(2) -0.1871(2) 0.2481(2) 0.0822(13) Uani 1 d . . .
C3 C 0.3010(2) -0.1922(2) 0.2012(2) 0.0847(14) Uani 1 d . . .
C4 C 0.3510(2) -0.2007(2) 0.15045(18) 0.0872(14) Uani 1 d . . .
C5 C 0.4015(2) -0.2055(2) 0.11151(18) 0.0883(14) Uani 1 d . . .
C6 C 0.4699(2) -0.2095(3) 0.06747(16) 0.0942(14) Uani 1 d . . .
H6A H 0.4637 -0.1674 0.0374 0.113 Uiso 1 calc R . .
H6B H 0.4664 -0.2584 0.0449 0.113 Uiso 1 calc R . .
C7 C 0.5890(2) -0.1348(3) 0.11869(14) 0.0715(10) Uani 1 d . . .
C8 C 0.66963(19) -0.1570(2) 0.15165(12) 0.0595(9) Uani 1 d . . .
C9 C 0.7329(2) -0.1123(2) 0.17890(12) 0.0649(9) Uani 1 d . . .
H9 H 0.7317 -0.0581 0.1775 0.078 Uiso 1 calc R . .
C10 C 0.79741(18) -0.1519(2) 0.20809(12) 0.0577(8) Uani 1 d . . .
C11 C 0.87310(19) -0.1234(2) 0.24374(13) 0.0619(9) Uani 1 d . . .
C12 C 0.87578(19) -0.2545(3) 0.24798(16) 0.0702(11) Uani 1 d . . .
C13 C 0.79941(17) -0.2298(2) 0.20979(13) 0.0617(9) Uani 1 d . . .
C14 C 0.73822(18) -0.2754(2) 0.18219(14) 0.0621(9) Uani 1 d . . .
H14 H 0.7406 -0.3296 0.1832 0.075 Uiso 1 calc R . .
C15 C 0.67373(18) -0.2360(2) 0.15311(12) 0.0584(9) Uani 1 d . . .
C16 C 0.5962(2) -0.2664(2) 0.11911(13) 0.0634(10) Uani 1 d . . .
C17 C 0.98579(19) -0.1844(2) 0.31027(16) 0.0802(11) Uani 1 d . . .
H17A H 1.0203 -0.2316 0.3077 0.096 Uiso 1 calc R . .
H17B H 1.0230 -0.1403 0.3015 0.096 Uiso 1 calc R . .
C18 C 0.95106(18) -0.1770(2) 0.37203(16) 0.0676(9) Uani 1 d . . .
C19 C 0.91358(18) -0.17013(19) 0.41784(15) 0.0609(8) Uani 1 d . . .
C20 C 0.86456(19) -0.16109(19) 0.46830(14) 0.0609(8) Uani 1 d . . .
C21 C 0.8175(2) -0.1528(2) 0.50951(13) 0.0649(9) Uani 1 d . . .
C22 C 0.7506(2) -0.1416(2) 0.55416(13) 0.0728(10) Uani 1 d . . .
H22A H 0.7560 -0.0905 0.5731 0.087 Uiso 1 calc R . .
H22B H 0.7556 -0.1804 0.5870 0.087 Uiso 1 calc R . .
C23 C 0.6255(2) -0.0869(2) 0.49732(12) 0.0596(8) Uani 1 d . . .
C24 C 0.55088(18) -0.11990(19) 0.46312(11) 0.0525(7) Uani 1 d . . .
C25 C 0.48617(18) -0.08197(19) 0.43211(12) 0.0533(7) Uani 1 d . . .
H25 H 0.4833 -0.0279 0.4293 0.064 Uiso 1 calc R . .
C26 C 0.42634(17) -0.12929(18) 0.40571(12) 0.0504(7) Uani 1 d . . .
C27 C 0.34793(18) -0.1093(2) 0.36886(14) 0.0616(9) Uani 1 d . . .
C28 C 0.35682(18) -0.2406(2) 0.37333(14) 0.0596(8) Uani 1 d . . .
C29 C 0.43089(17) -0.20811(18) 0.40853(12) 0.0522(7) Uani 1 d . . .
C30 C 0.49612(17) -0.24573(19) 0.43987(12) 0.0529(7) Uani 1 d . . .
H30 H 0.4995 -0.2998 0.4422 0.063 Uiso 1 calc R . .
C31 C 0.55513(18) -0.19893(19) 0.46708(11) 0.0515(7) Uani 1 d . . .
C32 C 0.63341(19) -0.2178(2) 0.50458(13) 0.0594(8) Uani 1 d . . .
O9 O 0.17713(14) -0.15412(14) 0.47853(9) 0.0677(6) Uani 1 d . . .
O10 O 0.11764(14) -0.02505(14) 0.40857(11) 0.0824(8) Uani 1 d . . .
O11 O 0.15644(13) 0.08027(11) 0.31603(8) 0.0563(5) Uani 1 d . . .
O12 O 0.34816(18) 0.0975(2) 0.22658(13) 0.1060(10) Uani 1 d . . .
O13 O 0.48927(14) -0.05276(19) 0.26014(12) 0.0864(8) Uani 1 d . . .
O16 O 0.72399(12) -0.48019(12) 0.54762(9) 0.0574(5) Uani 1 d . . .
O17 O 0.54707(11) -0.46035(12) 0.57726(8) 0.0530(5) Uani 1 d . . .
O18 O 0.40527(11) -0.36288(11) 0.57536(8) 0.0508(5) Uani 1 d . . .
O19 O 0.45356(17) -0.13445(15) 0.59918(11) 0.0843(7) Uani 1 d . . .
O20 O 0.48269(13) -0.25264(13) 0.62722(10) 0.0669(6) Uani 1 d . . .
O21 O 0.1354(6) -0.2609(6) 0.4049(3) 0.060(2) Uani 0.50 d PD A 1
O21' O 0.1230(9) -0.2850(7) 0.3985(4) 0.101(4) Uani 0.50 d PD A 2
O22 O 0.12040(14) -0.36754(16) 0.46660(11) 0.0779(7) Uani 1 d . . .
C33 C 0.23703(17) -0.20220(18) 0.50194(11) 0.0497(7) Uani 1 d . . .
C34 C 0.22627(16) -0.27922(19) 0.48869(11) 0.0489(7) Uani 1 d . . .
C35 C 0.28261(15) -0.33290(17) 0.51236(11) 0.0452(6) Uani 1 d . . .
H35 H 0.2744 -0.3853 0.5029 0.054 Uiso 1 calc R . .
C36 C 0.35103(15) -0.31123(16) 0.54981(10) 0.0401(6) Uani 1 d . . .
C37 C 0.36367(15) -0.23365(16) 0.56205(10) 0.0420(6) Uani 1 d . . .
C38 C 0.30636(17) -0.18011(17) 0.53762(11) 0.0480(7) Uani 1 d . . .
H38 H 0.3153 -0.1274 0.5457 0.058 Uiso 1 calc R . .
C39 C 0.1763(2) -0.0776(2) 0.50030(15) 0.0681(9) Uani 1 d . . .
H39A H 0.2292 -0.0510 0.4889 0.082 Uiso 1 calc R . .
H39B H 0.1720 -0.0769 0.5455 0.082 Uiso 1 calc R . .
C40 C 0.1005(2) -0.0391(2) 0.47119(15) 0.0680(9) Uani 1 d . . .
H40A H 0.0498 -0.0722 0.4746 0.082 Uiso 1 calc R . .
H40B H 0.0890 0.0096 0.4924 0.082 Uiso 1 calc R . .
C41 C 0.05653(19) 0.02150(18) 0.37989(15) 0.0635(9) Uani 1 d . . .
H41A H 0.0526 0.0710 0.4015 0.076 Uiso 1 calc R . .
H41B H 0.0001 -0.0035 0.3804 0.076 Uiso 1 calc R . .
C42 C 0.08353(18) 0.03357(17) 0.31570(14) 0.0579(8) Uani 1 d . . .
H42A H 0.0964 -0.0161 0.2964 0.069 Uiso 1 calc R . .
H42B H 0.0372 0.0583 0.2917 0.069 Uiso 1 calc R . .
C43 C 0.2027(2) 0.0741(2) 0.26183(14) 0.0648(9) Uani 1 d . . .
H43A H 0.1739 0.1028 0.2283 0.078 Uiso 1 calc R . .
H43B H 0.2073 0.0200 0.2494 0.078 Uiso 1 calc R . .
C44 C 0.2946(2) 0.1088(2) 0.27556(15) 0.0731(10) Uani 1 d . . .
H44A H 0.2894 0.1642 0.2837 0.088 Uiso 1 calc R . .
H44B H 0.3194 0.0844 0.3127 0.088 Uiso 1 calc R . .
C45 C 0.3841(3) 0.0247(3) 0.22641(19) 0.0884(12) Uani 1 d . . .
H45A H 0.3931 0.0082 0.1836 0.106 Uiso 1 calc R . .
H45B H 0.3447 -0.0120 0.2455 0.106 Uiso 1 calc R . .
C46 C 0.4667(2) 0.0244(3) 0.26084(17) 0.0844(12) Uani 1 d . . .
H46A H 0.5095 0.0562 0.2400 0.101 Uiso 1 calc R . .
H46B H 0.4600 0.0432 0.3033 0.101 Uiso 1 calc R . .
C47 C 0.56215(18) -0.0754(3) 0.28846(13) 0.0701(10) Uani 1 d . . .
C48 C 0.57175(17) -0.1555(2) 0.28909(12) 0.0635(10) Uani 1 d . . .
C49 C 0.51018(19) -0.2051(3) 0.26202(14) 0.0728(11) Uani 1 d . . .
H49 H 0.4610 -0.1842 0.2426 0.087 Uiso 1 calc R . .
C50 C 0.5208(2) -0.2820(3) 0.26361(15) 0.0808(12) Uani 1 d . . .
H50 H 0.4794 -0.3145 0.2451 0.097 Uiso 1 calc R . .
C51 C 0.5923(2) -0.3131(2) 0.29235(15) 0.0807(11) Uani 1 d . . .
H51 H 0.5993 -0.3669 0.2938 0.097 Uiso 1 calc R . .
C52 C 0.6523(2) -0.2671(3) 0.31847(13) 0.0753(11) Uani 1 d . . .
C53 C 0.64404(18) -0.1867(2) 0.31822(11) 0.0629(10) Uani 1 d . . .
C54 C 0.70466(19) -0.1363(3) 0.34600(12) 0.0673(10) Uani 1 d . . .
H54 H 0.7537 -0.1565 0.3662 0.081 Uiso 1 calc R . .
C55 C 0.69284(19) -0.0599(3) 0.34377(14) 0.0705(10) Uani 1 d . . .
H55 H 0.7344 -0.0273 0.3620 0.085 Uiso 1 calc R . .
C56 C 0.62087(19) -0.0276(2) 0.31532(14) 0.0691(10) Uani 1 d . . .
H56 H 0.6130 0.0261 0.3147 0.083 Uiso 1 calc R . .
O14 O 0.72593(17) -0.29232(16) 0.34650(11) 0.0901(8) Uani 1 d DU . .
C57' C 0.7582(5) -0.3657(4) 0.3417(5) 0.109(4) Uani 0.40 d PDU B 2
H57C H 0.7639 -0.3758 0.2973 0.130 Uiso 0.40 calc PR B 2
H57D H 0.7132 -0.4004 0.3562 0.130 Uiso 0.40 calc PR B 2
C58' C 0.8426(5) -0.3929(5) 0.3729(3) 0.070(2) Uani 0.40 d PD B 2
H58C H 0.8531 -0.4468 0.3618 0.084 Uiso 0.40 calc PR B 2
H58D H 0.8903 -0.3620 0.3575 0.084 Uiso 0.40 calc PR B 2
O15' O 0.8399(4) -0.3865(4) 0.4345(3) 0.0758(17) Uani 0.40 d PD B 2
C59' C 0.7841(7) -0.4353(9) 0.4612(4) 0.103(5) Uani 0.40 d PD B 2
H59C H 0.7924 -0.4873 0.4446 0.124 Uiso 0.40 calc PR B 2
H59D H 0.7253 -0.4191 0.4509 0.124 Uiso 0.40 calc PR B 2
C60' C 0.7968(2) -0.4369(2) 0.53226(15) 0.0732(9) Uani 0.40 d PD B 2
H60C H 0.8502 -0.4628 0.5448 0.088 Uiso 0.40 calc PR B 2
H60D H 0.7954 -0.3850 0.5502 0.088 Uiso 0.40 calc PR B 2
C57 C 0.7178(4) -0.3656(3) 0.3607(3) 0.090(2) Uani 0.60 d PDU B 1
H57A H 0.7262 -0.3989 0.3247 0.108 Uiso 0.60 calc PR B 1
H57B H 0.6617 -0.3765 0.3786 0.108 Uiso 0.60 calc PR B 1
C58 C 0.7889(4) -0.3743(4) 0.4076(3) 0.0724(16) Uani 0.60 d P B 1
H58A H 0.8444 -0.3621 0.3893 0.087 Uiso 0.60 calc PR B 1
H58B H 0.7800 -0.3401 0.4430 0.087 Uiso 0.60 calc PR B 1
O15 O 0.7862(3) -0.4502(2) 0.42557(17) 0.0570(10) Uani 0.60 d P B 1
C59 C 0.8375(4) -0.4680(4) 0.4755(3) 0.0667(15) Uani 0.60 d P B 1
H59A H 0.8945 -0.4452 0.4706 0.080 Uiso 0.60 calc PR B 1
H59B H 0.8441 -0.5240 0.4789 0.080 Uiso 0.60 calc PR B 1
C60 C 0.7968(2) -0.4369(2) 0.53226(15) 0.0732(9) Uani 0.60 d P B 1
H60A H 0.8383 -0.4381 0.5669 0.088 Uiso 0.60 calc PR B 1
H60B H 0.7801 -0.3831 0.5252 0.088 Uiso 0.60 calc PR B 1
C61 C 0.69263(19) -0.4573(2) 0.60489(13) 0.0707(10) Uani 1 d . . .
H61A H 0.6862 -0.4011 0.6057 0.085 Uiso 1 calc R . .
H61B H 0.7336 -0.4720 0.6378 0.085 Uiso 1 calc R . .
C62 C 0.60982(19) -0.4936(2) 0.61593(12) 0.0655(9) Uani 1 d . . .
H62A H 0.6135 -0.5491 0.6076 0.079 Uiso 1 calc R . .
H62B H 0.5943 -0.4867 0.6593 0.079 Uiso 1 calc R . .
C63 C 0.46421(18) -0.48570(19) 0.59103(15) 0.0624(8) Uani 1 d . . .
H63A H 0.4540 -0.4793 0.6354 0.075 Uiso 1 calc R . .
H63B H 0.4583 -0.5405 0.5808 0.075 Uiso 1 calc R . .
C64 C 0.40088(17) -0.44024(17) 0.55463(14) 0.0553(7) Uani 1 d . . .
H64A H 0.4139 -0.4429 0.5105 0.066 Uiso 1 calc R . .
H64B H 0.3430 -0.4608 0.5605 0.066 Uiso 1 calc R . .
C65 C 0.43674(18) -0.20129(19) 0.59767(12) 0.0503(7) Uani 1 d . . .
C66 C 0.55689(19) -0.2249(2) 0.65973(15) 0.0732(10) Uani 1 d . . .
H66A H 0.5864 -0.2677 0.6797 0.088 Uiso 1 calc R . .
H66B H 0.5397 -0.1879 0.6909 0.088 Uiso 1 calc R . .
H66C H 0.5950 -0.2001 0.6308 0.088 Uiso 1 calc R . .
C67 C 0.15490(19) -0.3029(2) 0.44757(13) 0.0641(9) Uani 1 d D . .
C68 C 0.0595(7) -0.3873(7) 0.4200(7) 0.064(3) Uani 0.50 d P C 1
H68A H 0.0310 -0.4349 0.4312 0.077 Uiso 0.50 calc PR C 1
H68B H 0.0883 -0.3942 0.3809 0.077 Uiso 0.50 calc PR C 1
H68C H 0.0173 -0.3464 0.4158 0.077 Uiso 0.50 calc PR C 1
C68' C 0.0462(11) -0.4132(11) 0.4374(9) 0.120(7) Uani 0.50 d P C 2
H68D H 0.0345 -0.4581 0.4626 0.144 Uiso 0.50 calc PR C 2
H68E H 0.0615 -0.4295 0.3961 0.144 Uiso 0.50 calc PR C 2
H68F H -0.0046 -0.3808 0.4349 0.144 Uiso 0.50 calc PR C 2
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
O1 C16 1.205(4) . ?
O2 C7 1.192(5) . ?
O3 C12 1.188(5) . ?
O4 C11 1.229(4) . ?
O5 C28 1.202(4) . ?
O6 C27 1.210(4) . ?
O7 C32 1.201(4) . ?
O8 C23 1.206(4) . ?
N1 C16 1.365(5) . ?
N1 C7 1.400(4) . ?
N1 C6 1.464(4) . ?
N2 C12 1.378(4) . ?
N2 C11 1.381(5) . ?
N2 C17 1.470(4) . ?
N3 C27 1.372(5) . ?
N3 C28 1.389(4) . ?
N3 C1 1.465(4) . ?
N4 C32 1.380(4) . ?
N4 C23 1.381(4) . ?
N4 C22 1.466(4) . ?
C1 C2 1.480(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.174(6) . ?
C3 C4 1.378(7) . ?
C4 C5 1.177(6) . ?
C5 C6 1.458(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.499(5) . ?
C8 C15 1.386(5) . ?
C8 C9 1.392(4) . ?
C9 C10 1.376(5) . ?
C9 H9 0.9500 . ?
C10 C13 1.365(5) . ?
C10 C11 1.496(4) . ?
C12 C13 1.513(5) . ?
C13 C14 1.381(4) . ?
C14 C15 1.373(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.513(4) . ?
C17 C18 1.469(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.176(4) . ?
C19 C20 1.365(5) . ?
C20 C21 1.184(4) . ?
C21 C22 1.462(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.495(4) . ?
C24 C25 1.382(4) . ?
C24 C31 1.389(4) . ?
C25 C26 1.373(4) . ?
C25 H25 0.9500 . ?
C26 C29 1.384(4) . ?
C26 C27 1.502(4) . ?
C28 C29 1.497(4) . ?
C29 C30 1.389(4) . ?
C30 C31 1.366(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.503(4) . ?
O9 C33 1.357(3) . ?
O9 C39 1.422(4) . ?
O10 C41 1.400(3) . ?
O10 C40 1.419(4) . ?
O11 C43 1.404(3) . ?
O11 C42 1.410(3) . ?
O12 C44 1.388(4) . ?
O12 C45 1.396(5) . ?
O13 C47 1.352(4) . ?
O13 C46 1.399(5) . ?
O16 C61 1.410(3) . ?
O16 C60' 1.420(4) . ?
O17 C62 1.413(3) . ?
O17 C63 1.416(3) . ?
O18 C36 1.357(3) . ?
O18 C64 1.430(3) . ?
O19 C65 1.201(4) . ?
O20 C65 1.316(4) . ?
O20 C66 1.440(3) . ?
O21 C67 1.221(5) . ?
O21' C67 1.215(5) . ?
O22 C67 1.326(4) . ?
O22 C68 1.427(15) . ?
O22 C68' 1.543(17) . ?
C33 C38 1.384(4) . ?
C33 C34 1.390(4) . ?
C34 C35 1.386(4) . ?
C34 C67 1.484(4) . ?
C35 C36 1.392(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.399(4) . ?
C37 C38 1.400(4) . ?
C37 C65 1.488(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.502(4) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.486(4) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.592(5) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.490(5) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C56 1.370(4) . ?
C47 C48 1.413(5) . ?
C48 C53 1.404(5) . ?
C48 C49 1.422(4) . ?
C49 C50 1.357(5) . ?
C49 H49 0.9500 . ?
C50 C51 1.390(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.359(5) . ?
C51 H51 0.9500 . ?
C52 O14 1.373(4) . ?
C52 C53 1.414(5) . ?
C53 C54 1.427(4) . ?
C54 C55 1.351(5) . ?
C54 H54 0.9500 . ?
C55 C56 1.401(5) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
O14 C57 1.327(4) . ?
O14 C57' 1.387(5) . ?
C57' C58' 1.557(8) . ?
C57' H57C 0.9900 . ?
C57' H57D 0.9900 . ?
C58' O15' 1.349(5) . ?
C58' H58C 0.9900 . ?
C58' H58D 0.9900 . ?
O15' C59' 1.363(13) . ?
C59' C60' 1.560(8) . ?
C59' H59C 0.9900 . ?
C59' H59D 0.9900 . ?
C60' H60C 0.9900 . ?
C60' H60D 0.9900 . ?
C57 C58 1.510(9) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 O15 1.387(7) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
O15 C59 1.379(7) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C61 C62 1.474(5) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.493(4) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C68' H68D 0.9800 . ?
C68' H68E 0.9800 . ?
C68' H68F 0.9800 . ?
