Translationally related nearly identical mol­ecules: 4-meth­oxy­phenyl 4-O-[6-O-acetyl-2-azido-3-O-benzyl-2-de­oxy-4-O-(fluoren-9-yl­meth­oxycarbon­yl)-α-D-gluco­pyranos­yl]-2-O-benzoyl-3-O-benzyl-6-O-chloro­acetyl-β-D-gluco­pyran­oside

The title compound, C₅₉H₅₆ClN₃O₁₆, is an important dissacharide precursor to novel therapeutics for the treatment of Alzheimer's disease. It crystallizes with two independent enantio­merically identical mol­ecules in almost exactly the same orientation in the cell, being one half cell-edge apart. Apart from the conformation of a single benzyl group, the mol­ecules are superimposable. They are bound efficiently using complementary C—H...O(carbonyl) hydrogen bonds, principally along the `duplicating' axis. The absolute configurations were determined.

S1. Comment

Heparan sulfate (HS) is a linear polysaccharide with a disaccharide repeating unit of D-glucosamine and L-iduronic or D-glucuronic acid, which can be O- or N-sulfated or N-acetylated. HS is involved in the regulation of many important biological processes (Bishop et al., 2007; Turnbull et al., 2001), involving growth factors (Mohammadi et al., 2005), cytokines (Lortat-Jacob, 2009) and stem cells (Piecewicz & Sengupta, 2011). In addition, HS was identified as a regulator of the cleavage of the amyloid precursor protein by β-secretase (BACE1), which is a critical step in the formation of the amyloid plaques that are found in the brains of people suffering from Alzheimer's disease (Scholefield et al., 2003). Homogenous HS polymers derived from chemically modified heparin fragments have demonstrated potent inhibition of BACE1 without any significant anticoagulant activity (Scholefield et al., 2003; Patey et al., 2008). Therefore synthetic HS–oligosaccharides with high potency as BACE1 inhibitors might have an application as novel therapeutics for Alzheimer's disease.

In a recent paper (Schwörer et al., 2013), we describe the synthesis and inhibition data of a library of such oligosaccharides. At the centre of the synthetic methodology are two highly orthogonally protected disaccharide building blocks, one of them being the title compound, (I). This disaccharide can serve as a glycosyl acceptor by removal of the Fmoc group (see Scheme) or can be converted into a glycosyl donor by hydrolysis of the methoxyphenyl glycoside and formation of the corresponding trichloroacemidate; the azide and the orthogonal ester protecting groups provide selective access to further functionalization later in the synthesis.

The crystal contains two enantiomerically identical molecules which are related by translation along the a axis and separated by almost exactly half a cell (Fig. 1). Atom labels of the two molecules are related by the addition of a prime for the second molecule (Fig. 1). Just one benzyl group is oriented differently (atoms C38–C44/C38A and C39'–C44'), breaking this novel translational relationship: confirmation is given by the dihedral angles (e.g. C38—O13—C33—C34) shown in Table 1. The second molecule (primed labels) is disordered at the C38' site into two sites (C38A/C38B); only the major site atom (C38A) is shown in Fig. 1. An overlap view of the molecules confirms their close similarity (Fig. 2). The geometric parameters are essentially the same (Table 1) with the corresponding pyranose rings in closely related chair con formations (Table 2). The observed absolute configurations confirmed the expected stereochemistry: C1,1'(S), C2,2'(R), C3,3'(S), C4,4'(S), C5,5'(R), C30,30'(S), C31,31'(R), C32,32'(S), C33,33'(R), C34,34'(R).

There are few reported crystal structures of disaccharide molecules [Cambridge Structiral Database (CSD); Allen, 2002]: one glucopyranose (CSD refcode RAVNAD; Abboud et al., 1997) and one idopyranose (AQOGIW; Lee et al., 2004) relative. The conformational data given in Table 2 (Cremer & Pople, 1975) show that the essential pyranose chair conformations have not been disturbed significantly in the title compound.

The packing in the crystal of (I) is dominated by strong C—H···O interactions which efficiently bind the molecules related along both the a (Fig. 3) and c axes (Table 3). These interactions form a three-dimensional network in which R₂² and C₂² motifs (Bernstein et al., 1995) involving 8, 11, 13, 15, 18, 22 and 25 atoms are found, e.g. R₂²(11) is clearly seen in Fig. 3.

The question that arises from this analysis concerns why there are two nearly identical molecules almost exactly one-half cell apart, while a single molecule per asymetric unit in a cell with half the axial length would seem to be a logical and similar arrangement. Indeed, contacts between the molecules principally involve C—H···O interactions (Table 3). There seems to be only one notable exception: a C–H···π interaction (last entry, Table 3 where Cg1 is the centroid of the C39'–C44' ring) involving both phenyl groups (H44 on C44 to the centroid of the `alternatively oriented' C39'–C44' phenyl ring). This is probably fortuitous, but we note that all the other C—H···π interactions have less favourable X—H···centroid angles (114–141°) compared with the value of 171° observed for (I).

Related literature

For related literature, see: Abboud et al. (1997); Allen (2002); Bernstein et al. (1995); Bishop et al. (2007); Cremer & Pople (1975); Lee et al. (2004); Lortat-Jacob (2009); Mohammadi et al. (2005); Patey et al. (2008); Piecewicz & Sengupta (2011); Scholefield et al. (2003); Schwörer et al. (2013); Turnbull et al. (2001).

S2. Experimental

4-Methoxyphenyl 4-O-[6-O-acetyl-2-azido-3-O-benzyl-2-deoxy-4-O-(9-fluorenylmethyloxycarbonyl)-α-D-glucopyranosyl]-2-O-benzoyl-3-O-benzyl-6-O-chloroacetyl-β-D-glucopyranoside was prepared as described in our recent publication (Schwörer et al., 2013). Good quality single crystals suitable for diffraction analysis were obtained by vapour diffusion of petroleum ether into a solution of the title compound in toluene.

S3. Refinement

Molecule 2 (primed labels) has conformational disorder at benzyl atom C38'; this was handled by refining two sites [A:B 0.53 (3):0.47 (3)] and equal bond-length restraints (for bonds to atoms O13' and C39').

The methyl H atoms were constrained to an ideal geometry (C—H = 0.98 Å), with U_iso(H) = 1.5U_eq(C), but were allowed to rotate freely about the adjacent C—C bonds. All other H atoms were placed in geometrically idealized positions and constrained to ride on their parent atoms, with C—H distances of 0.95 (aromatic), 0.99 (methylene) or 1.00 Å (tertiary) and with U_iso(H) = 1.5U_eq(C) for methyl H atoms or 1.2U_eq(C) otherwise.

Computing details

Data collection: CrystalClear (Rigaku, 2005); cell refinement: FSProcess (Rigaku, 1998); data reduction: FSProcess (Rigaku, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 in WinGX (Farrugia, 2012); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008), PLATON (Spek, 2009) and Mercury (Macrae et al., 2008).

Figures

	Fig. 1. A view of the contents of the asymmetric unit of (I), shown with ellipsoids at the 50% probability level for non-H atoms.
	Fig. 2. An overlap view (Macrae et al., 2008) of the two independent molecules of (I). Molecule 2 (primed labels) is shown in purple in the electronic version of the paper. C and H atoms are shown in stick form.
	Fig. 3. Partial unit-cell contents (Macrae et al., 2008) showing both the 1/2a relationship between the independent molecules and most of the C—H···O hydrogen bonding, which is shown as dotted lines between atoms depicted in ball form (see Table 3). For clarity, only H atoms involved in intermolecular contacts are included. [Symmetry code: (i) x+1, y, z.]

4-Methoxyphenyl 4-O-[6-O-acetyl-2-azido-3-O-benzyl-2-deoxy-4-O-(fluoren-9-ylmethoxycarbonyl)-α-D-glucopyranosyl]-2-O-benzoyl-3-O-benzyl-6-O-chloroacetyl-β-D-glucopyranoside

Crystal data

C59H56ClN3O16	F(000) = 2304
Mr = 1098.52	Dx = 1.367 Mg m^−3
Monoclinic, P21	Cu Kα radiation, λ = 1.54178 Å
Hall symbol: P 2yb	Cell parameters from 14490 reflections
a = 10.454 (2) Å	θ = 6.6–71.4°
b = 35.610 (7) Å	µ = 1.27 mm^−1
c = 14.408 (3) Å	T = 123 K
β = 95.61 (3)°	Needle, colourless
V = 5338.0 (19) Å^3	0.80 × 0.08 × 0.04 mm
Z = 4

Data collection

Rigaku Spider diffractometer	12625 independent reflections
Radiation source: Rigaku MM007 rotating anode	8360 reflections with I > 2σ(I)
Rigaku VariMax-HF Confocal Optical System monochromator	Rint = 0.055
Detector resolution: 10 pixels mm^-1	θmax = 55.0°, θmin = 6.5°
ω scans	h = −10→8
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −37→37
Tmin = 0.68, Tmax = 1.0	l = −15→15
35705 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.057	H-atom parameters constrained
wR(F^2) = 0.155	w = 1/[σ^2(Fo^2) + (0.0772P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.00	(Δ/σ)max = 0.004
12625 reflections	Δρmax = 0.32 e Å^−3
1426 parameters	Δρmin = −0.30 e Å^−3
3 restraints	Absolute structure: Flack x determined using 2859 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons & Flack, 2004)
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.035 (11)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cl1	0.3721 (2)	0.56035 (6)	−0.17482 (15)	0.0525 (6)
O1	0.0708 (5)	0.54608 (14)	0.1382 (4)	0.0406 (15)
O2	0.0576 (5)	0.50177 (13)	0.3051 (4)	0.0374 (14)
O3	−0.0424 (5)	0.42837 (13)	0.2564 (3)	0.0400 (14)
O4	0.1048 (5)	0.39301 (12)	0.1148 (3)	0.0349 (13)
O5	0.1257 (5)	0.49274 (13)	0.0647 (3)	0.0339 (13)
O6	−0.1390 (6)	0.52700 (17)	0.3069 (4)	0.0549 (17)
O7	0.4317 (6)	0.65918 (15)	0.1252 (4)	0.0562 (17)
O8	0.3110 (5)	0.46699 (14)	−0.0451 (4)	0.0387 (14)
O9	0.1818 (6)	0.50036 (16)	−0.1501 (4)	0.0507 (16)
O10	−0.0643 (5)	0.36376 (13)	0.0231 (4)	0.0404 (15)
O11	−0.0929 (5)	0.38857 (16)	−0.1726 (4)	0.0504 (16)
O12	0.0660 (9)	0.3812 (2)	−0.2623 (6)	0.102 (3)
O13	0.2099 (5)	0.28054 (15)	0.1022 (4)	0.0532 (16)
O14	0.1591 (5)	0.30329 (14)	−0.0874 (4)	0.0448 (15)
O15	0.0641 (6)	0.24722 (14)	−0.1193 (4)	0.0522 (17)
O16	0.2558 (5)	0.26371 (13)	−0.1670 (4)	0.0411 (15)
N1	0.1279 (8)	0.3355 (2)	0.2381 (5)	0.059 (2)
N2	0.1594 (8)	0.3059 (3)	0.2808 (6)	0.066 (2)
N3	0.1936 (9)	0.2815 (2)	0.3290 (6)	0.091 (3)
C1	0.1219 (8)	0.5101 (2)	0.1529 (5)	0.035 (2)
H1	0.2102	0.5115	0.1864	0.042*
C2	0.0327 (8)	0.4886 (2)	0.2104 (5)	0.032 (2)
H2	−0.0588	0.4937	0.1868	0.039*
C3	0.0570 (8)	0.4465 (2)	0.2118 (5)	0.036 (2)
H3	0.1408	0.4416	0.2495	0.043*
C4	0.0660 (8)	0.4317 (2)	0.1131 (5)	0.031 (2)
H4	−0.0182	0.4348	0.0745	0.038*
C5	0.1688 (8)	0.4547 (2)	0.0729 (5)	0.033 (2)
H5	0.2480	0.4540	0.1178	0.040*
C6	0.1643 (9)	0.5739 (2)	0.1304 (6)	0.038 (2)
C7	0.1974 (9)	0.5960 (2)	0.2074 (6)	0.049 (2)
H7	0.1586	0.5918	0.2634	0.058*
C8	0.2878 (10)	0.6243 (2)	0.2029 (6)	0.055 (3)
H8	0.3102	0.6398	0.2557	0.066*
C9	0.3451 (9)	0.6300 (2)	0.1219 (6)	0.044 (2)
C10	0.3133 (8)	0.6082 (2)	0.0450 (6)	0.044 (2)
H10	0.3535	0.6120	−0.0106	0.052*
C11	0.2205 (8)	0.5801 (2)	0.0499 (6)	0.043 (2)
H11	0.1961	0.5652	−0.0035	0.052*
C12	0.4977 (9)	0.6652 (2)	0.0450 (6)	0.051 (2)
H12A	0.5514	0.6433	0.0348	0.076*
H12B	0.5521	0.6876	0.0543	0.076*
H12C	0.4352	0.6688	−0.0095	0.076*
C13	−0.0350 (10)	0.5203 (2)	0.3461 (6)	0.041 (2)
C14	0.0093 (9)	0.5312 (2)	0.4439 (6)	0.040 (2)
C15	0.1246 (9)	0.5179 (2)	0.4914 (6)	0.046 (2)
H15	0.1822	0.5032	0.4595	0.055*
C16	0.1528 (9)	0.5262 (2)	0.5834 (6)	0.054 (3)
H16	0.2290	0.5164	0.6159	0.064*
C17	0.0733 (10)	0.5485 (3)	0.6299 (6)	0.054 (3)
H17	0.0946	0.5540	0.6941	0.065*
C18	−0.0379 (9)	0.5628 (3)	0.5835 (6)	0.056 (3)
H18	−0.0920	0.5787	0.6155	0.067*
C19	−0.0707 (9)	0.5542 (2)	0.4904 (6)	0.048 (2)
H19	−0.1475	0.5639	0.4586	0.058*
C20	0.0068 (9)	0.4138 (2)	0.3468 (6)	0.050 (2)
H20A	0.0570	0.4335	0.3824	0.061*
H20B	0.0648	0.3923	0.3385	0.061*
C21	−0.1031 (8)	0.4011 (3)	0.4009 (6)	0.046 (2)
C22	−0.1549 (10)	0.3652 (2)	0.3911 (7)	0.065 (3)
H22	−0.1271	0.3484	0.3458	0.078*
C23	−0.2476 (10)	0.3541 (3)	0.4482 (8)	0.072 (3)
H23	−0.2824	0.3295	0.4420	0.087*
C24	−0.2904 (10)	0.3782 (3)	0.5141 (7)	0.063 (3)
H24	−0.3538	0.3700	0.5526	0.075*
C25	−0.2412 (10)	0.4136 (3)	0.5234 (6)	0.059 (3)
H25	−0.2700	0.4302	0.5685	0.071*
C26	−0.1484 (9)	0.4253 (3)	0.4666 (6)	0.057 (3)
H26	−0.1153	0.4501	0.4726	0.068*
C27	0.2051 (8)	0.4430 (2)	−0.0222 (5)	0.037 (2)
H27A	0.2319	0.4163	−0.0211	0.045*
H27B	0.1306	0.4460	−0.0696	0.045*
C28	0.2828 (10)	0.4967 (2)	−0.1025 (6)	0.040 (2)
C29	0.3972 (9)	0.5219 (2)	−0.0969 (6)	0.045 (2)
H29A	0.4732	0.5074	−0.1122	0.054*
H29B	0.4147	0.5315	−0.0324	0.054*
C30	0.0026 (8)	0.3673 (2)	0.1125 (6)	0.041 (2)
H30	−0.0590	0.3759	0.1569	0.050*
C31	0.0137 (8)	0.3510 (2)	−0.0486 (6)	0.039 (2)
H31	0.0860	0.3691	−0.0538	0.047*
C32	0.0685 (8)	0.3123 (2)	−0.0205 (6)	0.042 (2)
H32	−0.0012	0.2930	−0.0216	0.051*
C33	0.1433 (9)	0.3145 (2)	0.0752 (6)	0.042 (2)
H33	0.2112	0.3340	0.0702	0.051*
C34	0.0579 (9)	0.3292 (2)	0.1460 (6)	0.046 (2)
H34	−0.0140	0.3111	0.1519	0.055*
C35	−0.0730 (8)	0.3505 (2)	−0.1399 (6)	0.045 (2)
H35A	−0.0325	0.3355	−0.1870	0.054*
H35B	−0.1565	0.3388	−0.1301	0.054*
C36	−0.0181 (12)	0.4003 (3)	−0.2373 (7)	0.061 (3)
C37	−0.0472 (11)	0.4399 (2)	−0.2697 (6)	0.070 (3)
H37A	0.0178	0.4569	−0.2397	0.105*
H37B	−0.1323	0.4472	−0.2531	0.105*
H37C	−0.0458	0.4412	−0.3376	0.105*
C38	0.1364 (9)	0.2490 (2)	0.1149 (6)	0.055 (3)
H38A	0.0924	0.2409	0.0542	0.066*
H38B	0.0699	0.2550	0.1569	0.066*
C39	0.2212 (10)	0.2169 (2)	0.1569 (6)	0.048 (2)
C40	0.3482 (10)	0.2154 (3)	0.1464 (7)	0.065 (3)
H40	0.3877	0.2346	0.1134	0.078*
C41	0.4196 (10)	0.1857 (3)	0.1840 (7)	0.080 (3)
H41	0.5092	0.1852	0.1777	0.096*
C42	0.3672 (12)	0.1569 (3)	0.2300 (8)	0.073 (3)
H42	0.4186	0.1366	0.2549	0.088*
C43	0.2371 (11)	0.1582 (3)	0.2392 (7)	0.069 (3)
H43	0.1972	0.1383	0.2696	0.083*
C44	0.1643 (9)	0.1887 (2)	0.2040 (6)	0.061 (3)
H44	0.0754	0.1901	0.2124	0.073*
C45	0.1517 (9)	0.2685 (2)	−0.1237 (6)	0.039 (2)
C46	0.2670 (9)	0.2282 (2)	−0.2166 (6)	0.044 (2)
H46A	0.1859	0.2138	−0.2173	0.053*
H46B	0.3373	0.2129	−0.1851	0.053*
C47	0.2945 (8)	0.2369 (2)	−0.3141 (5)	0.038 (2)
H47	0.3731	0.2530	−0.3132	0.045*
C48	0.1830 (8)	0.2554 (2)	−0.3737 (6)	0.043 (2)
C49	0.1250 (9)	0.2893 (2)	−0.3624 (7)	0.050 (2)
H49	0.1564	0.3058	−0.3137	0.060*
C50	0.0188 (9)	0.2992 (2)	−0.4240 (7)	0.049 (2)
H50	−0.0235	0.3224	−0.4162	0.059*
C51	−0.0256 (9)	0.2754 (3)	−0.4963 (7)	0.063 (3)
H51	−0.0986	0.2824	−0.5371	0.075*
C52	0.0350 (10)	0.2416 (3)	−0.5099 (7)	0.061 (3)
H52	0.0053	0.2256	−0.5602	0.073*
C53	0.1408 (9)	0.2315 (2)	−0.4481 (6)	0.047 (2)
C54	0.2217 (9)	0.1981 (2)	−0.4443 (6)	0.045 (2)
C55	0.2201 (10)	0.1666 (3)	−0.5028 (7)	0.061 (3)
H55	0.1567	0.1645	−0.5545	0.074*
C56	0.3092 (11)	0.1392 (3)	−0.4855 (7)	0.060 (3)
H56	0.3092	0.1181	−0.5257	0.072*
C57	0.4004 (10)	0.1420 (2)	−0.4092 (7)	0.059 (3)
H57	0.4614	0.1224	−0.3972	0.071*
C58	0.4048 (9)	0.1732 (2)	−0.3490 (6)	0.047 (2)
H58	0.4684	0.1752	−0.2974	0.057*
C59	0.3138 (8)	0.2006 (2)	−0.3676 (6)	0.038 (2)
Cl1'	0.8734 (2)	0.55843 (6)	−0.17030 (15)	0.0507 (6)
O1'	0.5652 (5)	0.54277 (13)	0.1374 (4)	0.0379 (14)
O2'	0.5560 (5)	0.49745 (13)	0.3056 (3)	0.0335 (13)
O3'	0.4489 (5)	0.42561 (13)	0.2541 (3)	0.0372 (14)
O4'	0.5858 (5)	0.38958 (12)	0.1085 (3)	0.0358 (14)
O5'	0.6249 (5)	0.48969 (13)	0.0639 (3)	0.0341 (13)
O6'	0.3658 (6)	0.52717 (16)	0.3064 (4)	0.0532 (17)
O7'	0.9216 (6)	0.65691 (14)	0.1232 (4)	0.0482 (16)
O8'	0.8106 (5)	0.46457 (13)	−0.0421 (4)	0.0362 (14)
O9'	0.6835 (6)	0.49837 (15)	−0.1474 (4)	0.0458 (15)
O10'	0.4205 (5)	0.36731 (13)	0.0002 (4)	0.0406 (14)
O11'	0.4092 (6)	0.39306 (15)	−0.1921 (4)	0.0509 (16)
O12'	0.5749 (9)	0.3859 (2)	−0.2771 (6)	0.105 (3)
O13'	0.6259 (5)	0.27235 (15)	0.0858 (4)	0.0505 (16)
O14'	0.6458 (6)	0.30377 (14)	−0.0995 (4)	0.0453 (15)
O15'	0.5545 (6)	0.24825 (15)	−0.1437 (4)	0.0532 (17)
O16'	0.7589 (5)	0.26364 (13)	−0.1669 (4)	0.0432 (15)
N1'	0.5654 (9)	0.3277 (2)	0.2197 (6)	0.070 (3)
N2'	0.5365 (9)	0.2986 (3)	0.2561 (6)	0.086 (3)
N3'	0.5164 (13)	0.2712 (3)	0.3034 (7)	0.140 (5)
C1'	0.6187 (8)	0.50718 (19)	0.1530 (5)	0.035 (2)
H1'	0.7064	0.5091	0.1873	0.042*
C2'	0.5290 (8)	0.48507 (19)	0.2099 (5)	0.0290 (19)
H2'	0.4377	0.4910	0.1873	0.035*
C3'	0.5497 (8)	0.4428 (2)	0.2082 (5)	0.033 (2)
H3'	0.6334	0.4371	0.2453	0.040*
C4'	0.5576 (8)	0.4291 (2)	0.1095 (5)	0.031 (2)
H4'	0.4747	0.4343	0.0710	0.038*
C5'	0.6660 (8)	0.45167 (19)	0.0720 (5)	0.033 (2)
H5'	0.7436	0.4503	0.1183	0.039*
C6'	0.6569 (8)	0.5716 (2)	0.1288 (6)	0.036 (2)
C7'	0.6934 (8)	0.5923 (2)	0.2083 (6)	0.041 (2)
H7'	0.6582	0.5871	0.2652	0.049*
C8'	0.7817 (8)	0.6208 (2)	0.2031 (6)	0.042 (2)
H8'	0.8070	0.6356	0.2567	0.051*
C9'	0.8337 (8)	0.6279 (2)	0.1200 (6)	0.038 (2)
C10'	0.7972 (8)	0.6072 (2)	0.0410 (6)	0.042 (2)
H10'	0.8328	0.6123	−0.0159	0.050*
C12'	0.9852 (9)	0.6629 (2)	0.0418 (6)	0.051 (3)
H12D	1.0344	0.6404	0.0286	0.077*
H12E	1.0437	0.6844	0.0517	0.077*
H12F	0.9215	0.6681	−0.0112	0.077*
C11'	0.7061 (8)	0.5786 (2)	0.0468 (6)	0.041 (2)
H11'	0.6788	0.5641	−0.0069	0.049*
C13'	0.4684 (9)	0.5183 (2)	0.3457 (6)	0.038 (2)
C14'	0.5133 (9)	0.5284 (2)	0.4439 (6)	0.039 (2)
C15'	0.6234 (9)	0.5123 (2)	0.4908 (6)	0.049 (2)
H15'	0.6758	0.4958	0.4590	0.059*
C16'	0.6548 (9)	0.5206 (3)	0.5833 (7)	0.057 (3)
H16'	0.7283	0.5092	0.6158	0.068*
C17'	0.5812 (10)	0.5453 (2)	0.6303 (6)	0.052 (3)
H17'	0.6039	0.5506	0.6944	0.062*
C18'	0.4748 (10)	0.5621 (3)	0.5833 (6)	0.054 (3)
H18'	0.4249	0.5794	0.6147	0.065*
C19'	0.4406 (9)	0.5536 (2)	0.4883 (6)	0.049 (2)
H19'	0.3678	0.5652	0.4555	0.059*
C20'	0.4989 (8)	0.4082 (2)	0.3408 (5)	0.046 (2)
H20C	0.5631	0.4250	0.3743	0.055*
H20D	0.5428	0.3845	0.3273	0.055*
C21'	0.3935 (8)	0.4000 (2)	0.4021 (5)	0.036 (2)
C22'	0.3494 (9)	0.3645 (2)	0.4133 (6)	0.044 (2)
H22'	0.3804	0.3447	0.3773	0.052*
C23'	0.2598 (9)	0.3564 (3)	0.4762 (6)	0.051 (3)
H23'	0.2295	0.3315	0.4824	0.061*
C24'	0.2163 (9)	0.3845 (3)	0.5287 (6)	0.051 (2)
H24'	0.1556	0.3792	0.5718	0.062*
C25'	0.2602 (9)	0.4210 (2)	0.5195 (6)	0.048 (2)
H25'	0.2309	0.4406	0.5569	0.058*
C26'	0.3470 (9)	0.4287 (2)	0.4554 (6)	0.046 (2)
H26'	0.3753	0.4537	0.4478	0.056*
C27'	0.7042 (8)	0.4402 (2)	−0.0225 (5)	0.036 (2)
H27C	0.7315	0.4135	−0.0216	0.044*
H27D	0.6310	0.4433	−0.0708	0.044*
C28'	0.7830 (9)	0.4946 (2)	−0.0981 (6)	0.037 (2)
C29'	0.8958 (8)	0.5205 (2)	−0.0899 (6)	0.043 (2)
H29C	0.9740	0.5063	−0.1018	0.052*
H29D	0.9085	0.5305	−0.0256	0.052*
C30'	0.4747 (9)	0.3671 (2)	0.0941 (6)	0.043 (2)
H30'	0.4093	0.3765	0.1347	0.052*
C31'	0.5016 (9)	0.3530 (2)	−0.0673 (6)	0.043 (2)
H31'	0.5792	0.3694	−0.0681	0.051*
C32'	0.5440 (8)	0.3129 (2)	−0.0409 (6)	0.043 (2)
H32'	0.4705	0.2950	−0.0523	0.051*
C33'	0.6020 (9)	0.3108 (2)	0.0591 (6)	0.046 (2)
H33'	0.6843	0.3253	0.0666	0.055*
C34'	0.5098 (8)	0.3268 (2)	0.1215 (6)	0.043 (2)
H34'	0.4299	0.3112	0.1166	0.052*
C35'	0.4241 (9)	0.3546 (2)	−0.1617 (6)	0.048 (2)
H35C	0.4684	0.3400	−0.2076	0.058*
H35D	0.3385	0.3432	−0.1574	0.058*
C36'	0.4887 (12)	0.4049 (3)	−0.2526 (7)	0.064 (3)
C37'	0.4640 (11)	0.4450 (2)	−0.2813 (6)	0.070 (3)
H37D	0.5255	0.4614	−0.2450	0.105*
H37E	0.3764	0.4520	−0.2698	0.105*
H37F	0.4742	0.4478	−0.3479	0.105*
C39'	0.7781 (8)	0.2269 (2)	0.1516 (7)	0.050 (3)
C40'	0.7923 (8)	0.1918 (3)	0.1117 (7)	0.062 (3)
H40'	0.7897	0.1894	0.0459	0.074*
C41'	0.8101 (10)	0.1605 (3)	0.1677 (10)	0.077 (4)
H41'	0.8185	0.1367	0.1394	0.092*
C42'	0.8159 (11)	0.1625 (4)	0.2596 (11)	0.087 (4)
H42'	0.8289	0.1407	0.2971	0.105*
C43'	0.8027 (11)	0.1970 (4)	0.2990 (8)	0.095 (4)
H43'	0.8077	0.1990	0.3651	0.114*
C44'	0.7821 (9)	0.2292 (3)	0.2458 (8)	0.071 (3)
H44'	0.7710	0.2527	0.2750	0.085*
C45'	0.6430 (10)	0.2691 (2)	−0.1380 (6)	0.044 (2)
C46'	0.7772 (8)	0.22839 (19)	−0.2155 (6)	0.041 (2)
H46C	0.6992	0.2126	−0.2154	0.049*
H46D	0.8506	0.2144	−0.1835	0.049*
C47'	0.8030 (8)	0.2369 (2)	−0.3146 (5)	0.036 (2)
H47'	0.8803	0.2534	−0.3158	0.044*
C48'	0.6883 (8)	0.2539 (2)	−0.3728 (6)	0.042 (2)
C49'	0.6323 (9)	0.2881 (2)	−0.3640 (6)	0.047 (2)
H49'	0.6687	0.3059	−0.3198	0.056*
C50'	0.5189 (9)	0.2966 (3)	−0.4218 (7)	0.053 (3)
H50'	0.4757	0.3198	−0.4151	0.064*
C51'	0.4714 (9)	0.2707 (3)	−0.4883 (7)	0.054 (3)
H51'	0.3958	0.2767	−0.5276	0.065*
C52'	0.5296 (9)	0.2369 (2)	−0.4993 (6)	0.049 (2)
H52'	0.4959	0.2198	−0.5460	0.059*
C53'	0.6390 (9)	0.2282 (2)	−0.4409 (6)	0.043 (2)
C54'	0.7206 (9)	0.1946 (2)	−0.4358 (6)	0.046 (2)
C55'	0.7159 (9)	0.1615 (2)	−0.4887 (6)	0.049 (2)
H55'	0.6470	0.1574	−0.5356	0.059*
C56'	0.8113 (10)	0.1350 (3)	−0.4725 (7)	0.054 (3)
H56'	0.8080	0.1126	−0.5085	0.065*
C57'	0.9125 (10)	0.1408 (2)	−0.4037 (7)	0.058 (3)
H57'	0.9791	0.1227	−0.3941	0.070*
C58'	0.9169 (9)	0.1733 (2)	−0.3483 (6)	0.046 (2)
H58'	0.9844	0.1768	−0.3000	0.056*
C59'	0.8222 (8)	0.2000 (2)	−0.3650 (6)	0.038 (2)
C38A	0.7496 (17)	0.2566 (6)	0.0753 (17)	0.054 (4)*	0.53 (3)
H38C	0.8163	0.2790	0.0915	0.065*	0.53 (3)
H38D	0.7605	0.2488	0.0151	0.065*	0.53 (3)
C38B	0.7667 (16)	0.2676 (6)	0.117 (2)	0.054 (4)*	0.47 (3)
H38E	0.8326	0.2753	0.0699	0.065*	0.47 (3)
H38F	0.8020	0.2875	0.1740	0.065*	0.47 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cl1	0.0679 (17)	0.0462 (13)	0.0446 (14)	−0.0031 (12)	0.0122 (12)	0.0083 (11)
O1	0.044 (4)	0.024 (3)	0.054 (4)	0.002 (3)	0.005 (3)	−0.003 (3)
O2	0.036 (3)	0.041 (3)	0.036 (3)	0.006 (3)	0.007 (3)	−0.005 (3)
O3	0.047 (4)	0.041 (3)	0.032 (3)	0.001 (3)	0.003 (3)	0.004 (3)
O4	0.042 (4)	0.019 (3)	0.043 (3)	0.000 (3)	0.004 (3)	−0.003 (2)
O5	0.040 (4)	0.034 (3)	0.029 (3)	0.007 (3)	0.003 (3)	−0.002 (3)
O6	0.049 (4)	0.068 (4)	0.047 (4)	0.022 (3)	−0.002 (3)	−0.018 (3)
O7	0.084 (5)	0.040 (4)	0.047 (4)	−0.017 (3)	0.015 (4)	−0.008 (3)
O8	0.041 (4)	0.034 (3)	0.042 (4)	−0.002 (3)	0.009 (3)	0.000 (3)
O9	0.047 (4)	0.062 (4)	0.042 (4)	0.002 (3)	0.001 (3)	0.011 (3)
O10	0.046 (4)	0.041 (3)	0.035 (4)	−0.004 (3)	0.009 (3)	−0.011 (3)
O11	0.056 (4)	0.050 (4)	0.046 (4)	0.002 (3)	0.009 (3)	−0.004 (3)
O12	0.129 (8)	0.072 (5)	0.117 (7)	0.014 (5)	0.073 (6)	0.005 (5)
O13	0.061 (4)	0.026 (3)	0.073 (4)	−0.005 (3)	0.007 (3)	−0.002 (3)
O14	0.047 (4)	0.032 (3)	0.057 (4)	−0.008 (3)	0.012 (3)	−0.003 (3)
O15	0.049 (4)	0.032 (3)	0.078 (5)	−0.012 (3)	0.015 (3)	−0.012 (3)
O16	0.034 (4)	0.035 (3)	0.056 (4)	−0.002 (3)	0.015 (3)	−0.010 (3)
N1	0.084 (6)	0.039 (5)	0.051 (5)	0.006 (4)	−0.001 (4)	0.010 (4)
N2	0.080 (7)	0.059 (6)	0.060 (6)	−0.018 (5)	0.012 (5)	0.000 (5)
N3	0.138 (9)	0.067 (6)	0.069 (7)	0.008 (6)	0.012 (6)	0.017 (5)
C1	0.040 (5)	0.029 (5)	0.035 (5)	0.007 (4)	0.010 (4)	−0.005 (4)
C2	0.034 (5)	0.036 (5)	0.027 (5)	−0.001 (4)	0.001 (4)	−0.006 (4)
C3	0.042 (6)	0.034 (5)	0.031 (5)	0.005 (4)	0.001 (4)	0.008 (4)
C4	0.031 (5)	0.031 (5)	0.033 (5)	0.000 (4)	0.006 (4)	−0.001 (4)
C5	0.040 (6)	0.029 (5)	0.030 (5)	0.010 (4)	0.007 (4)	−0.009 (4)
C6	0.060 (6)	0.023 (4)	0.028 (5)	0.009 (4)	−0.002 (5)	−0.005 (4)
C7	0.070 (7)	0.039 (5)	0.039 (6)	−0.004 (5)	0.014 (5)	0.002 (4)
C8	0.086 (8)	0.042 (5)	0.039 (6)	−0.011 (5)	0.011 (5)	−0.012 (5)
C9	0.061 (7)	0.029 (5)	0.042 (6)	0.003 (5)	0.002 (5)	−0.003 (5)
C10	0.043 (6)	0.040 (5)	0.049 (6)	−0.001 (5)	0.015 (5)	−0.005 (5)
C11	0.048 (6)	0.042 (5)	0.040 (6)	0.002 (5)	0.010 (5)	−0.013 (4)
C12	0.057 (6)	0.039 (5)	0.054 (7)	−0.001 (5)	0.000 (5)	−0.005 (5)
C13	0.053 (7)	0.030 (5)	0.040 (6)	0.006 (5)	0.012 (5)	0.005 (4)
C14	0.053 (6)	0.027 (5)	0.040 (6)	0.003 (4)	0.013 (5)	0.001 (4)
C15	0.052 (7)	0.047 (6)	0.041 (6)	0.017 (5)	0.011 (5)	0.005 (5)
C16	0.066 (7)	0.053 (6)	0.042 (6)	0.002 (5)	0.003 (5)	0.002 (5)
C17	0.071 (8)	0.063 (6)	0.030 (6)	−0.010 (6)	0.011 (5)	−0.008 (5)
C18	0.052 (7)	0.070 (7)	0.048 (7)	0.004 (6)	0.018 (5)	−0.010 (5)
C19	0.055 (6)	0.053 (6)	0.038 (6)	0.004 (5)	0.011 (5)	−0.005 (5)
C20	0.053 (6)	0.061 (6)	0.038 (6)	0.010 (5)	0.006 (5)	0.009 (5)
C21	0.045 (6)	0.057 (6)	0.037 (6)	0.007 (5)	0.008 (5)	0.010 (5)
C22	0.068 (7)	0.035 (6)	0.097 (9)	0.008 (5)	0.034 (7)	0.012 (5)
C23	0.052 (7)	0.051 (6)	0.115 (10)	0.011 (5)	0.017 (7)	0.028 (7)
C24	0.063 (7)	0.077 (8)	0.050 (7)	0.015 (7)	0.016 (5)	0.027 (6)
C25	0.064 (8)	0.085 (8)	0.031 (6)	−0.002 (6)	0.015 (5)	−0.003 (5)
C26	0.056 (7)	0.068 (7)	0.045 (6)	−0.009 (6)	0.001 (5)	−0.002 (5)
C27	0.043 (6)	0.032 (4)	0.038 (5)	−0.010 (4)	0.009 (4)	0.002 (4)
C28	0.061 (7)	0.031 (5)	0.030 (5)	0.006 (5)	0.009 (5)	0.003 (4)
C29	0.056 (7)	0.039 (5)	0.041 (6)	−0.007 (5)	0.010 (5)	0.014 (4)
C30	0.063 (7)	0.027 (5)	0.035 (5)	−0.003 (5)	0.016 (5)	−0.004 (4)
C31	0.043 (6)	0.031 (5)	0.044 (6)	−0.009 (4)	0.014 (5)	−0.008 (4)
C32	0.051 (6)	0.029 (5)	0.050 (6)	−0.003 (4)	0.024 (5)	−0.007 (4)
C33	0.057 (6)	0.028 (5)	0.040 (6)	−0.002 (4)	−0.002 (5)	−0.007 (4)
C34	0.069 (7)	0.034 (5)	0.034 (6)	−0.007 (5)	0.003 (5)	0.000 (4)
C35	0.049 (6)	0.041 (5)	0.043 (6)	−0.014 (4)	−0.001 (5)	−0.004 (4)
C36	0.082 (9)	0.055 (7)	0.046 (7)	−0.003 (6)	0.006 (6)	−0.014 (6)
C37	0.104 (9)	0.050 (6)	0.053 (7)	−0.002 (6)	−0.004 (6)	−0.004 (5)
C38	0.063 (7)	0.047 (6)	0.057 (6)	−0.012 (5)	0.015 (5)	−0.008 (5)
C39	0.060 (7)	0.024 (5)	0.060 (7)	0.005 (5)	0.005 (5)	0.002 (5)
C40	0.069 (8)	0.039 (6)	0.089 (8)	0.005 (6)	0.015 (6)	0.007 (5)
C41	0.074 (8)	0.053 (7)	0.116 (10)	0.007 (6)	0.018 (7)	−0.005 (7)
C42	0.094 (10)	0.039 (6)	0.088 (9)	0.011 (6)	0.010 (7)	0.012 (6)
C43	0.086 (9)	0.040 (6)	0.082 (8)	−0.011 (6)	0.011 (7)	0.020 (6)
C44	0.065 (7)	0.043 (6)	0.074 (7)	0.003 (5)	0.001 (6)	0.009 (5)
C45	0.054 (7)	0.020 (5)	0.044 (6)	−0.003 (5)	0.008 (5)	0.000 (4)
C46	0.048 (6)	0.026 (5)	0.057 (6)	−0.003 (4)	0.002 (5)	−0.012 (4)
C47	0.042 (6)	0.031 (5)	0.041 (5)	−0.006 (4)	0.008 (4)	−0.007 (4)
C48	0.048 (6)	0.036 (5)	0.047 (6)	−0.006 (5)	0.021 (5)	0.006 (5)
C49	0.050 (6)	0.040 (5)	0.062 (7)	−0.003 (5)	0.010 (5)	0.013 (5)
C50	0.043 (6)	0.040 (5)	0.065 (7)	0.001 (5)	0.014 (5)	0.014 (5)
C51	0.041 (6)	0.077 (8)	0.073 (8)	0.003 (6)	0.013 (6)	0.021 (7)
C52	0.060 (7)	0.064 (7)	0.056 (7)	0.002 (6)	−0.003 (6)	0.007 (5)
C53	0.057 (7)	0.046 (6)	0.040 (6)	−0.009 (5)	0.010 (5)	0.005 (5)
C54	0.052 (6)	0.043 (6)	0.043 (6)	−0.005 (5)	0.016 (5)	−0.002 (5)
C55	0.067 (8)	0.058 (7)	0.062 (7)	−0.003 (6)	0.016 (6)	−0.012 (6)
C56	0.079 (8)	0.051 (7)	0.051 (7)	−0.009 (6)	0.015 (6)	−0.021 (5)
C57	0.070 (8)	0.037 (6)	0.078 (8)	0.000 (5)	0.040 (6)	−0.005 (6)
C58	0.057 (7)	0.034 (5)	0.054 (6)	−0.002 (5)	0.020 (5)	0.001 (5)
C59	0.036 (5)	0.038 (5)	0.040 (6)	−0.003 (4)	0.006 (4)	0.000 (4)
Cl1'	0.0654 (16)	0.0437 (13)	0.0442 (14)	−0.0035 (11)	0.0119 (12)	0.0116 (11)
O1'	0.044 (4)	0.021 (3)	0.049 (4)	0.000 (3)	0.007 (3)	−0.001 (3)
O2'	0.032 (3)	0.038 (3)	0.032 (3)	0.003 (3)	0.009 (3)	0.001 (3)
O3'	0.040 (4)	0.038 (3)	0.033 (3)	−0.005 (3)	0.004 (3)	0.008 (3)
O4'	0.049 (4)	0.016 (3)	0.042 (3)	0.000 (3)	0.005 (3)	−0.003 (2)
O5'	0.048 (4)	0.027 (3)	0.028 (3)	0.005 (3)	0.006 (3)	0.000 (2)
O6'	0.046 (4)	0.062 (4)	0.050 (4)	0.021 (3)	−0.001 (3)	−0.013 (3)
O7'	0.064 (4)	0.033 (3)	0.051 (4)	−0.012 (3)	0.019 (3)	−0.004 (3)
O8'	0.038 (4)	0.032 (3)	0.040 (3)	0.001 (3)	0.011 (3)	0.001 (3)
O9'	0.044 (4)	0.050 (4)	0.044 (4)	0.001 (3)	0.006 (3)	0.007 (3)
O10'	0.047 (4)	0.028 (3)	0.047 (4)	−0.003 (3)	0.009 (3)	−0.006 (3)
O11'	0.066 (5)	0.041 (4)	0.048 (4)	0.001 (3)	0.019 (3)	−0.001 (3)
O12'	0.117 (7)	0.093 (6)	0.114 (7)	0.000 (6)	0.063 (6)	0.006 (5)
O13'	0.050 (4)	0.031 (3)	0.071 (4)	0.003 (3)	0.007 (3)	0.002 (3)
O14'	0.052 (4)	0.030 (3)	0.056 (4)	−0.005 (3)	0.014 (3)	−0.006 (3)
O15'	0.056 (4)	0.028 (3)	0.077 (5)	−0.003 (3)	0.013 (4)	−0.015 (3)
O16'	0.033 (4)	0.036 (3)	0.062 (4)	0.001 (3)	0.012 (3)	−0.008 (3)
N1'	0.132 (8)	0.025 (4)	0.060 (6)	−0.002 (5)	0.036 (5)	0.020 (4)
N2'	0.108 (8)	0.093 (8)	0.059 (7)	0.030 (7)	0.011 (6)	−0.010 (6)
N3'	0.242 (15)	0.092 (8)	0.094 (9)	0.015 (8)	0.053 (9)	0.031 (7)
C1'	0.040 (5)	0.027 (5)	0.040 (5)	0.005 (4)	0.012 (4)	−0.001 (4)
C2'	0.031 (5)	0.030 (4)	0.026 (5)	0.006 (4)	0.005 (4)	0.003 (4)
C3'	0.036 (5)	0.035 (5)	0.028 (5)	0.002 (4)	0.000 (4)	0.007 (4)
C4'	0.036 (5)	0.029 (5)	0.029 (5)	0.001 (4)	0.003 (4)	0.001 (4)
C5'	0.049 (6)	0.023 (4)	0.027 (5)	0.002 (4)	0.006 (4)	−0.001 (4)
C6'	0.048 (6)	0.017 (4)	0.043 (6)	0.000 (4)	0.002 (5)	−0.003 (4)
C7'	0.057 (6)	0.028 (5)	0.038 (6)	−0.001 (4)	0.012 (5)	0.003 (4)
C8'	0.057 (6)	0.029 (5)	0.041 (6)	−0.010 (4)	0.004 (5)	−0.006 (4)
C9'	0.052 (6)	0.023 (5)	0.040 (6)	0.006 (4)	0.007 (5)	0.003 (4)
C10'	0.044 (6)	0.033 (5)	0.052 (6)	−0.004 (4)	0.015 (5)	−0.004 (4)
C12'	0.070 (7)	0.037 (5)	0.051 (6)	−0.001 (5)	0.021 (5)	0.001 (4)
C11'	0.057 (6)	0.034 (5)	0.035 (5)	0.003 (4)	0.018 (5)	−0.012 (4)
C13'	0.048 (6)	0.031 (5)	0.038 (6)	0.004 (5)	0.011 (5)	0.003 (4)
C14'	0.048 (6)	0.033 (5)	0.038 (6)	−0.001 (4)	0.014 (5)	−0.001 (4)
C15'	0.049 (6)	0.062 (6)	0.037 (6)	0.014 (5)	0.011 (5)	0.005 (5)
C16'	0.059 (7)	0.064 (7)	0.048 (6)	0.003 (6)	0.008 (5)	0.003 (5)
C17'	0.068 (7)	0.054 (6)	0.034 (6)	−0.020 (6)	0.007 (5)	−0.003 (5)
C18'	0.067 (7)	0.061 (6)	0.036 (6)	0.001 (6)	0.015 (5)	−0.001 (5)
C19'	0.061 (7)	0.046 (6)	0.041 (6)	0.009 (5)	0.003 (5)	0.000 (5)
C20'	0.052 (6)	0.055 (6)	0.032 (5)	0.003 (5)	0.011 (5)	0.010 (5)
C21'	0.040 (6)	0.035 (5)	0.032 (5)	0.003 (4)	−0.001 (4)	0.006 (4)
C22'	0.056 (6)	0.036 (5)	0.040 (5)	0.003 (5)	0.005 (5)	0.002 (4)
C23'	0.051 (7)	0.047 (6)	0.056 (6)	0.004 (5)	0.008 (5)	0.016 (5)
C24'	0.046 (6)	0.057 (7)	0.053 (6)	0.008 (5)	0.017 (5)	0.012 (5)
C25'	0.067 (7)	0.046 (6)	0.033 (5)	0.007 (5)	0.011 (5)	−0.007 (4)
C26'	0.054 (6)	0.039 (5)	0.044 (6)	−0.006 (5)	−0.002 (5)	0.000 (5)
C27'	0.048 (6)	0.029 (4)	0.034 (5)	−0.013 (4)	0.011 (4)	0.004 (4)
C28'	0.049 (6)	0.026 (5)	0.037 (5)	0.004 (5)	0.010 (5)	0.003 (4)
C29'	0.052 (6)	0.035 (5)	0.044 (6)	−0.005 (4)	0.011 (5)	0.014 (4)
C30'	0.070 (7)	0.023 (5)	0.039 (6)	−0.010 (5)	0.016 (5)	−0.007 (4)
C31'	0.053 (6)	0.035 (5)	0.042 (6)	−0.006 (4)	0.017 (5)	−0.013 (4)
C32'	0.050 (6)	0.028 (5)	0.053 (6)	−0.010 (4)	0.019 (5)	−0.010 (4)
C33'	0.056 (7)	0.024 (5)	0.061 (7)	−0.003 (4)	0.020 (5)	−0.003 (4)
C34'	0.062 (7)	0.026 (5)	0.042 (6)	−0.004 (4)	0.008 (5)	−0.001 (4)
C35'	0.054 (6)	0.038 (5)	0.051 (6)	−0.008 (5)	0.001 (5)	−0.006 (5)
C36'	0.081 (9)	0.057 (7)	0.054 (7)	−0.007 (7)	0.005 (6)	−0.010 (6)
C37'	0.110 (9)	0.060 (7)	0.036 (6)	−0.034 (6)	−0.017 (6)	0.007 (5)
C39'	0.047 (6)	0.046 (6)	0.060 (7)	0.009 (5)	0.015 (5)	0.017 (5)
C40'	0.044 (6)	0.087 (8)	0.055 (7)	−0.010 (6)	0.011 (5)	−0.010 (7)
C41'	0.057 (8)	0.049 (7)	0.125 (12)	−0.005 (6)	0.014 (8)	−0.018 (8)
C42'	0.081 (9)	0.066 (9)	0.112 (12)	−0.010 (7)	−0.006 (9)	0.037 (9)
C43'	0.087 (9)	0.148 (12)	0.049 (8)	−0.039 (9)	−0.001 (7)	0.031 (9)
C44'	0.075 (8)	0.064 (7)	0.080 (8)	−0.010 (6)	0.041 (7)	−0.012 (7)
C45'	0.064 (7)	0.015 (5)	0.054 (6)	−0.003 (5)	0.007 (5)	−0.004 (4)
C46'	0.041 (6)	0.021 (4)	0.062 (6)	0.009 (4)	0.008 (5)	−0.006 (4)
C47'	0.037 (6)	0.032 (5)	0.041 (5)	−0.004 (4)	0.006 (4)	−0.003 (4)
C48'	0.046 (6)	0.037 (5)	0.046 (6)	−0.003 (5)	0.016 (5)	0.011 (5)
C49'	0.043 (6)	0.033 (5)	0.066 (7)	−0.004 (5)	0.011 (5)	0.006 (5)
C50'	0.045 (7)	0.052 (6)	0.064 (7)	0.012 (5)	0.012 (5)	0.020 (5)
C51'	0.047 (6)	0.057 (7)	0.059 (7)	0.006 (5)	0.001 (5)	0.017 (6)
C52'	0.055 (7)	0.049 (6)	0.042 (6)	0.000 (5)	−0.003 (5)	0.012 (5)
C53'	0.059 (7)	0.033 (5)	0.039 (6)	−0.010 (5)	0.014 (5)	0.009 (4)
C54'	0.052 (6)	0.039 (6)	0.048 (6)	−0.004 (5)	0.018 (5)	0.003 (5)
C55'	0.064 (7)	0.039 (5)	0.048 (6)	−0.003 (5)	0.020 (5)	−0.003 (5)
C56'	0.071 (8)	0.045 (6)	0.047 (6)	−0.004 (6)	0.015 (6)	−0.009 (5)
C57'	0.074 (8)	0.041 (6)	0.066 (7)	0.010 (5)	0.041 (6)	0.000 (5)
C58'	0.061 (7)	0.035 (5)	0.046 (6)	−0.001 (5)	0.016 (5)	0.001 (4)
C59'	0.042 (6)	0.034 (5)	0.037 (5)	−0.005 (4)	0.004 (4)	0.004 (4)

Geometric parameters (Å, º)

Cl1—C29	1.774 (8)	O1'—C6'	1.417 (9)
O1—C1	1.395 (8)	O2'—C13'	1.351 (9)
O1—C6	1.404 (9)	O2'—C2'	1.450 (8)
O2—C13	1.354 (9)	O3'—C3'	1.434 (9)
O2—C2	1.444 (8)	O3'—C20'	1.447 (8)
O3—C3	1.428 (9)	O4'—C30'	1.409 (9)
O3—C20	1.450 (9)	O4'—C4'	1.439 (8)
O4—C30	1.406 (9)	O5'—C5'	1.422 (8)
O4—C4	1.435 (8)	O5'—C1'	1.434 (9)
O5—C1	1.418 (9)	O6'—C13'	1.205 (9)
O5—C5	1.429 (8)	O7'—C9'	1.382 (9)
O6—C13	1.199 (9)	O7'—C12'	1.420 (9)
O7—C9	1.376 (9)	O8'—C28'	1.353 (9)
O7—C12	1.419 (10)	O8'—C27'	1.460 (8)
O8—C28	1.358 (9)	O9'—C28'	1.208 (9)
O8—C27	1.461 (9)	O10'—C30'	1.414 (9)
O9—C28	1.208 (9)	O10'—C31'	1.446 (9)
O10—C30	1.411 (9)	O11'—C36'	1.330 (12)
O10—C31	1.450 (9)	O11'—C35'	1.443 (9)
O11—C36	1.340 (11)	O12'—C36'	1.207 (12)
O11—C35	1.443 (9)	O13'—C38A	1.432 (15)
O12—C36	1.196 (11)	O13'—C33'	1.437 (9)
O13—C38	1.384 (8)	O13'—C38B	1.506 (18)
O13—C33	1.432 (9)	O14'—C45'	1.352 (9)
O14—C45	1.344 (9)	O14'—C32'	1.458 (9)
O14—C32	1.452 (9)	O15'—C45'	1.183 (9)
O15—C45	1.195 (9)	O16'—C45'	1.333 (10)
O16—C45	1.318 (10)	O16'—C46'	1.460 (8)
O16—C46	1.463 (8)	N1'—N2'	1.214 (12)
N1—N2	1.248 (10)	N1'—C34'	1.476 (10)
N1—C34	1.468 (10)	N2'—N3'	1.218 (12)
N2—N3	1.146 (10)	C1'—C2'	1.523 (10)
C1—C2	1.516 (10)	C1'—H1'	1.0000
C1—H1	1.0000	C2'—C3'	1.521 (10)
C2—C3	1.520 (10)	C2'—H2'	1.0000
C2—H2	1.0000	C3'—C4'	1.513 (10)
C3—C4	1.529 (10)	C3'—H3'	1.0000
C3—H3	1.0000	C4'—C5'	1.530 (10)
C4—C5	1.511 (10)	C4'—H4'	1.0000
C4—H4	1.0000	C5'—C27'	1.512 (10)
C5—C27	1.516 (10)	C5'—H5'	1.0000
C5—H5	1.0000	C6'—C11'	1.358 (10)
C6—C11	1.369 (11)	C6'—C7'	1.385 (10)
C6—C7	1.376 (11)	C7'—C8'	1.377 (10)
C7—C8	1.388 (11)	C7'—H7'	0.9500
C7—H7	0.9500	C8'—C9'	1.386 (11)
C8—C9	1.378 (11)	C8'—H8'	0.9500
C8—H8	0.9500	C9'—C10'	1.377 (11)
C9—C10	1.367 (11)	C10'—C11'	1.403 (10)
C10—C11	1.400 (11)	C10'—H10'	0.9500
C10—H10	0.9500	C12'—H12D	0.9800
C11—H11	0.9500	C12'—H12E	0.9800
C12—H12A	0.9800	C12'—H12F	0.9800
C12—H12B	0.9800	C11'—H11'	0.9500
C12—H12C	0.9800	C13'—C14'	1.490 (11)
C13—C14	1.491 (11)	C14'—C19'	1.376 (11)
C14—C19	1.388 (11)	C14'—C15'	1.399 (11)
C14—C15	1.410 (11)	C15'—C16'	1.374 (11)
C15—C16	1.362 (11)	C15'—H15'	0.9500
C15—H15	0.9500	C16'—C17'	1.389 (12)
C16—C17	1.370 (12)	C16'—H16'	0.9500
C16—H16	0.9500	C17'—C18'	1.381 (11)
C17—C18	1.380 (11)	C17'—H17'	0.9500
C17—H17	0.9500	C18'—C19'	1.413 (11)
C18—C19	1.387 (11)	C18'—H18'	0.9500
C18—H18	0.9500	C19'—H19'	0.9500
C19—H19	0.9500	C20'—C21'	1.506 (11)
C20—C21	1.519 (11)	C20'—H20C	0.9900
C20—H20A	0.9900	C20'—H20D	0.9900
C20—H20B	0.9900	C21'—C22'	1.361 (10)
C21—C22	1.390 (11)	C21'—C26'	1.392 (11)
C21—C26	1.396 (12)	C22'—C23'	1.397 (11)
C22—C23	1.389 (12)	C22'—H22'	0.9500
C22—H22	0.9500	C23'—C24'	1.359 (11)
C23—C24	1.384 (13)	C23'—H23'	0.9500
C23—H23	0.9500	C24'—C25'	1.389 (11)
C24—C25	1.364 (13)	C24'—H24'	0.9500
C24—H24	0.9500	C25'—C26'	1.383 (11)
C25—C26	1.393 (12)	C25'—H25'	0.9500
C25—H25	0.9500	C26'—H26'	0.9500
C26—H26	0.9500	C27'—H27C	0.9900
C27—H27A	0.9900	C27'—H27D	0.9900
C27—H27B	0.9900	C28'—C29'	1.492 (11)
C28—C29	1.490 (11)	C29'—H29C	0.9900
C29—H29A	0.9900	C29'—H29D	0.9900
C29—H29B	0.9900	C30'—C34'	1.522 (10)
C30—C34	1.532 (10)	C30'—H30'	1.0000
C30—H30	1.0000	C31'—C35'	1.514 (11)
C31—C35	1.523 (10)	C31'—C32'	1.531 (11)
C31—C32	1.532 (11)	C31'—H31'	1.0000
C31—H31	1.0000	C32'—C33'	1.509 (11)
C32—C33	1.519 (11)	C32'—H32'	1.0000
C32—H32	1.0000	C33'—C34'	1.494 (11)
C33—C34	1.514 (11)	C33'—H33'	1.0000
C33—H33	1.0000	C34'—H34'	1.0000
C34—H34	1.0000	C35'—H35C	0.9900
C35—H35A	0.9900	C35'—H35D	0.9900
C35—H35B	0.9900	C36'—C37'	1.503 (13)
C36—C37	1.507 (13)	C37'—H37D	0.9800
C37—H37A	0.9800	C37'—H37E	0.9800
C37—H37B	0.9800	C37'—H37F	0.9800
C37—H37C	0.9800	C39'—C44'	1.357 (12)
C38—C39	1.531 (11)	C39'—C40'	1.389 (12)
C38—H38A	0.9900	C39'—C38A	1.533 (16)
C38—H38B	0.9900	C39'—C38B	1.534 (17)
C39—C40	1.353 (12)	C40'—C41'	1.378 (13)
C39—C44	1.380 (11)	C40'—H40'	0.9500
C40—C41	1.376 (12)	C41'—C42'	1.321 (15)
C40—H40	0.9500	C41'—H41'	0.9500
C41—C42	1.365 (13)	C42'—C43'	1.365 (16)
C41—H41	0.9500	C42'—H42'	0.9500
C42—C43	1.381 (13)	C43'—C44'	1.384 (13)
C42—H42	0.9500	C43'—H43'	0.9500
C43—C44	1.393 (11)	C44'—H44'	0.9500
C43—H43	0.9500	C46'—C47'	1.509 (11)
C44—H44	0.9500	C46'—H46C	0.9900
C46—C47	1.493 (11)	C46'—H46D	0.9900
C46—H46A	0.9900	C47'—C48'	1.519 (11)
C46—H46B	0.9900	C47'—C59'	1.526 (10)
C47—C48	1.528 (11)	C47'—H47'	1.0000
C47—C59	1.528 (11)	C48'—C49'	1.363 (11)
C47—H47	1.0000	C48'—C53'	1.404 (11)
C48—C49	1.368 (11)	C49'—C50'	1.413 (12)
C48—C53	1.407 (11)	C49'—H49'	0.9500
C49—C50	1.397 (12)	C50'—C51'	1.387 (12)
C49—H49	0.9500	C50'—H50'	0.9500
C50—C51	1.386 (13)	C51'—C52'	1.365 (12)
C50—H50	0.9500	C51'—H51'	0.9500
C51—C52	1.383 (13)	C52'—C53'	1.388 (12)
C51—H51	0.9500	C52'—H52'	0.9500
C52—C53	1.397 (12)	C53'—C54'	1.464 (11)
C52—H52	0.9500	C54'—C55'	1.402 (12)
C53—C54	1.455 (12)	C54'—C59'	1.412 (11)
C54—C59	1.396 (11)	C55'—C56'	1.376 (12)
C54—C55	1.403 (12)	C55'—H55'	0.9500
C55—C56	1.355 (12)	C56'—C57'	1.394 (12)
C55—H55	0.9500	C56'—H56'	0.9500
C56—C57	1.387 (12)	C57'—C58'	1.403 (11)
C56—H56	0.9500	C57'—H57'	0.9500
C57—C58	1.407 (12)	C58'—C59'	1.375 (11)
C57—H57	0.9500	C58'—H58'	0.9500
C58—C59	1.371 (11)	C38A—H38C	1.07 (3)
C58—H58	0.9500	C38A—H38D	0.93 (3)
Cl1'—C29'	1.781 (7)	C38B—H38E	1.05 (2)
O1'—C1'	1.395 (8)	C38B—H38F	1.12 (3)
C1—O1—C6	113.6 (6)	C9'—O7'—C12'	116.7 (6)
C13—O2—C2	120.0 (6)	C28'—O8'—C27'	117.6 (6)
C3—O3—C20	110.8 (6)	C30'—O10'—C31'	115.8 (6)
C30—O4—C4	114.3 (6)	C36'—O11'—C35'	116.3 (8)
C1—O5—C5	112.1 (5)	C38A—O13'—C33'	118.8 (9)
C9—O7—C12	117.1 (6)	C33'—O13'—C38B	109.0 (8)
C28—O8—C27	118.0 (7)	C45'—O14'—C32'	117.0 (7)
C30—O10—C31	114.6 (6)	C45'—O16'—C46'	116.2 (6)
C36—O11—C35	116.3 (7)	N2'—N1'—C34'	107.8 (8)
C38—O13—C33	117.5 (6)	N3'—N2'—N1'	171.3 (12)
C45—O14—C32	116.4 (6)	O1'—C1'—O5'	107.6 (6)
C45—O16—C46	116.9 (6)	O1'—C1'—C2'	107.3 (6)
N2—N1—C34	113.7 (7)	O5'—C1'—C2'	109.9 (6)
N3—N2—N1	171.6 (10)	O1'—C1'—H1'	110.6
O1—C1—O5	108.0 (6)	O5'—C1'—H1'	110.6
O1—C1—C2	107.5 (6)	C2'—C1'—H1'	110.6
O5—C1—C2	109.9 (6)	O2'—C2'—C3'	107.5 (6)
O1—C1—H1	110.4	O2'—C2'—C1'	106.3 (6)
O5—C1—H1	110.4	C3'—C2'—C1'	114.0 (6)
C2—C1—H1	110.4	O2'—C2'—H2'	109.6
O2—C2—C1	106.7 (6)	C3'—C2'—H2'	109.6
O2—C2—C3	107.1 (6)	C1'—C2'—H2'	109.6
C1—C2—C3	113.4 (6)	O3'—C3'—C4'	113.9 (6)
O2—C2—H2	109.9	O3'—C3'—C2'	107.7 (6)
C1—C2—H2	109.9	C4'—C3'—C2'	110.7 (6)
C3—C2—H2	109.9	O3'—C3'—H3'	108.1
O3—C3—C2	108.9 (6)	C4'—C3'—H3'	108.1
O3—C3—C4	112.1 (6)	C2'—C3'—H3'	108.1
C2—C3—C4	110.6 (6)	O4'—C4'—C3'	110.8 (6)
O3—C3—H3	108.4	O4'—C4'—C5'	110.5 (6)
C2—C3—H3	108.4	C3'—C4'—C5'	105.9 (6)
C4—C3—H3	108.4	O4'—C4'—H4'	109.8
O4—C4—C5	108.5 (6)	C3'—C4'—H4'	109.8
O4—C4—C3	110.9 (6)	C5'—C4'—H4'	109.8
C5—C4—C3	106.2 (6)	O5'—C5'—C27'	106.8 (6)
O4—C4—H4	110.4	O5'—C5'—C4'	107.5 (6)
C5—C4—H4	110.4	C27'—C5'—C4'	116.6 (6)
C3—C4—H4	110.4	O5'—C5'—H5'	108.6
O5—C5—C4	108.4 (6)	C27'—C5'—H5'	108.6
O5—C5—C27	106.9 (6)	C4'—C5'—H5'	108.6
C4—C5—C27	116.6 (6)	C11'—C6'—C7'	121.5 (8)
O5—C5—H5	108.2	C11'—C6'—O1'	121.9 (7)
C4—C5—H5	108.2	C7'—C6'—O1'	116.6 (7)
C27—C5—H5	108.2	C8'—C7'—C6'	118.7 (8)
C11—C6—C7	119.7 (8)	C8'—C7'—H7'	120.6
C11—C6—O1	122.8 (7)	C6'—C7'—H7'	120.6
C7—C6—O1	117.4 (8)	C7'—C8'—C9'	120.1 (8)
C6—C7—C8	119.7 (8)	C7'—C8'—H8'	119.9
C6—C7—H7	120.1	C9'—C8'—H8'	119.9
C8—C7—H7	120.1	C10'—C9'—O7'	123.8 (8)
C9—C8—C7	120.0 (8)	C10'—C9'—C8'	121.2 (8)
C9—C8—H8	120.0	O7'—C9'—C8'	115.1 (7)
C7—C8—H8	120.0	C9'—C10'—C11'	118.2 (8)
C10—C9—C8	120.7 (8)	C9'—C10'—H10'	120.9
C10—C9—O7	124.4 (8)	C11'—C10'—H10'	120.9
C8—C9—O7	114.9 (8)	O7'—C12'—H12D	109.5
C9—C10—C11	118.7 (8)	O7'—C12'—H12E	109.5
C9—C10—H10	120.6	H12D—C12'—H12E	109.5
C11—C10—H10	120.6	O7'—C12'—H12F	109.5
C6—C11—C10	121.0 (8)	H12D—C12'—H12F	109.5
C6—C11—H11	119.5	H12E—C12'—H12F	109.5
C10—C11—H11	119.5	C6'—C11'—C10'	120.3 (8)
O7—C12—H12A	109.5	C6'—C11'—H11'	119.9
O7—C12—H12B	109.5	C10'—C11'—H11'	119.9
H12A—C12—H12B	109.5	O6'—C13'—O2'	123.6 (8)
O7—C12—H12C	109.5	O6'—C13'—C14'	124.5 (8)
H12A—C12—H12C	109.5	O2'—C13'—C14'	112.0 (8)
H12B—C12—H12C	109.5	C19'—C14'—C15'	120.6 (8)
O6—C13—O2	123.0 (8)	C19'—C14'—C13'	117.5 (8)
O6—C13—C14	125.2 (8)	C15'—C14'—C13'	121.9 (8)
O2—C13—C14	111.7 (8)	C16'—C15'—C14'	119.3 (8)
C19—C14—C15	119.4 (8)	C16'—C15'—H15'	120.4
C19—C14—C13	117.7 (8)	C14'—C15'—H15'	120.4
C15—C14—C13	122.8 (8)	C15'—C16'—C17'	121.2 (9)
C16—C15—C14	119.5 (8)	C15'—C16'—H16'	119.4
C16—C15—H15	120.3	C17'—C16'—H16'	119.4
C14—C15—H15	120.3	C18'—C17'—C16'	119.6 (9)
C15—C16—C17	121.2 (9)	C18'—C17'—H17'	120.2
C15—C16—H16	119.4	C16'—C17'—H17'	120.2
C17—C16—H16	119.4	C17'—C18'—C19'	119.8 (9)
C16—C17—C18	119.9 (9)	C17'—C18'—H18'	120.1
C16—C17—H17	120.0	C19'—C18'—H18'	120.1
C18—C17—H17	120.0	C14'—C19'—C18'	119.5 (9)
C17—C18—C19	120.2 (9)	C14'—C19'—H19'	120.3
C17—C18—H18	119.9	C18'—C19'—H19'	120.3
C19—C18—H18	119.9	O3'—C20'—C21'	111.5 (7)
C14—C19—C18	119.6 (9)	O3'—C20'—H20C	109.3
C14—C19—H19	120.2	C21'—C20'—H20C	109.3
C18—C19—H19	120.2	O3'—C20'—H20D	109.3
O3—C20—C21	110.4 (7)	C21'—C20'—H20D	109.3
O3—C20—H20A	109.6	H20C—C20'—H20D	108.0
C21—C20—H20A	109.6	C22'—C21'—C26'	118.3 (8)
O3—C20—H20B	109.6	C22'—C21'—C20'	121.6 (8)
C21—C20—H20B	109.6	C26'—C21'—C20'	119.8 (8)
H20A—C20—H20B	108.1	C21'—C22'—C23'	121.7 (8)
C22—C21—C26	118.8 (9)	C21'—C22'—H22'	119.2
C22—C21—C20	121.9 (8)	C23'—C22'—H22'	119.2
C26—C21—C20	119.2 (9)	C24'—C23'—C22'	119.4 (8)
C21—C22—C23	119.2 (9)	C24'—C23'—H23'	120.3
C21—C22—H22	120.4	C22'—C23'—H23'	120.3
C23—C22—H22	120.4	C23'—C24'—C25'	120.3 (9)
C24—C23—C22	121.5 (10)	C23'—C24'—H24'	119.8
C24—C23—H23	119.2	C25'—C24'—H24'	119.8
C22—C23—H23	119.2	C26'—C25'—C24'	119.5 (8)
C25—C24—C23	119.6 (10)	C26'—C25'—H25'	120.3
C25—C24—H24	120.2	C24'—C25'—H25'	120.3
C23—C24—H24	120.2	C25'—C26'—C21'	120.8 (8)
C24—C25—C26	119.7 (10)	C25'—C26'—H26'	119.6
C24—C25—H25	120.1	C21'—C26'—H26'	119.6
C26—C25—H25	120.1	O8'—C27'—C5'	106.6 (6)
C25—C26—C21	121.1 (9)	O8'—C27'—H27C	110.4
C25—C26—H26	119.5	C5'—C27'—H27C	110.4
C21—C26—H26	119.5	O8'—C27'—H27D	110.4
O8—C27—C5	107.8 (6)	C5'—C27'—H27D	110.4
O8—C27—H27A	110.1	H27C—C27'—H27D	108.6
C5—C27—H27A	110.1	O9'—C28'—O8'	124.1 (8)
O8—C27—H27B	110.1	O9'—C28'—C29'	127.3 (8)
C5—C27—H27B	110.1	O8'—C28'—C29'	108.6 (7)
H27A—C27—H27B	108.5	C28'—C29'—Cl1'	111.4 (6)
O9—C28—O8	123.7 (8)	C28'—C29'—H29C	109.3
O9—C28—C29	128.2 (8)	Cl1'—C29'—H29C	109.3
O8—C28—C29	108.1 (8)	C28'—C29'—H29D	109.3
C28—C29—Cl1	111.2 (6)	Cl1'—C29'—H29D	109.4
C28—C29—H29A	109.4	H29C—C29'—H29D	108.0
Cl1—C29—H29A	109.4	O10'—C30'—O4'	112.6 (6)
C28—C29—H29B	109.4	O10'—C30'—C34'	108.5 (6)
Cl1—C29—H29B	109.4	O4'—C30'—C34'	108.9 (7)
H29A—C29—H29B	108.0	O10'—C30'—H30'	108.9
O4—C30—O10	112.7 (6)	O4'—C30'—H30'	108.9
O4—C30—C34	107.8 (7)	C34'—C30'—H30'	108.9
O10—C30—C34	110.3 (6)	O10'—C31'—C35'	107.1 (7)
O4—C30—H30	108.6	O10'—C31'—C32'	109.6 (7)
O10—C30—H30	108.6	C35'—C31'—C32'	112.0 (7)
C34—C30—H30	108.6	O10'—C31'—H31'	109.4
O10—C31—C35	106.9 (7)	C35'—C31'—H31'	109.4
O10—C31—C32	108.3 (6)	C32'—C31'—H31'	109.4
C35—C31—C32	113.2 (7)	O14'—C32'—C33'	107.1 (7)
O10—C31—H31	109.5	O14'—C32'—C31'	105.9 (6)
C35—C31—H31	109.5	C33'—C32'—C31'	111.3 (6)
C32—C31—H31	109.5	O14'—C32'—H32'	110.8
O14—C32—C33	107.6 (7)	C33'—C32'—H32'	110.8
O14—C32—C31	105.9 (6)	C31'—C32'—H32'	110.8
C33—C32—C31	109.8 (6)	O13'—C33'—C34'	108.0 (7)
O14—C32—H32	111.1	O13'—C33'—C32'	110.3 (6)
C33—C32—H32	111.1	C34'—C33'—C32'	109.4 (7)
C31—C32—H32	111.1	O13'—C33'—H33'	109.7
O13—C33—C34	114.3 (7)	C34'—C33'—H33'	109.7
O13—C33—C32	113.3 (6)	C32'—C33'—H33'	109.7
C34—C33—C32	110.1 (7)	N1'—C34'—C33'	111.6 (7)
O13—C33—H33	106.1	N1'—C34'—C30'	107.0 (6)
C34—C33—H33	106.1	C33'—C34'—C30'	110.9 (7)
C32—C33—H33	106.1	N1'—C34'—H34'	109.1
N1—C34—C33	112.7 (7)	C33'—C34'—H34'	109.1
N1—C34—C30	106.9 (7)	C30'—C34'—H34'	109.1
C33—C34—C30	108.8 (7)	O11'—C35'—C31'	110.0 (6)
N1—C34—H34	109.5	O11'—C35'—H35C	109.7
C33—C34—H34	109.5	C31'—C35'—H35C	109.7
C30—C34—H34	109.5	O11'—C35'—H35D	109.7
O11—C35—C31	109.0 (6)	C31'—C35'—H35D	109.7
O11—C35—H35A	109.9	H35C—C35'—H35D	108.2
C31—C35—H35A	109.9	O12'—C36'—O11'	123.2 (10)
O11—C35—H35B	109.9	O12'—C36'—C37'	124.4 (11)
C31—C35—H35B	109.9	O11'—C36'—C37'	112.3 (10)
H35A—C35—H35B	108.3	C36'—C37'—H37D	109.5
O12—C36—O11	121.9 (10)	C36'—C37'—H37E	109.5
O12—C36—C37	124.8 (11)	H37D—C37'—H37E	109.5
O11—C36—C37	113.2 (10)	C36'—C37'—H37F	109.5
C36—C37—H37A	109.5	H37D—C37'—H37F	109.5
C36—C37—H37B	109.5	H37E—C37'—H37F	109.5
H37A—C37—H37B	109.5	C44'—C39'—C40'	118.3 (9)
C36—C37—H37C	109.5	C44'—C39'—C38A	131.3 (14)
H37A—C37—H37C	109.5	C40'—C39'—C38A	110.2 (14)
H37B—C37—H37C	109.5	C44'—C39'—C38B	105.1 (15)
O13—C38—C39	110.5 (7)	C40'—C39'—C38B	136.5 (15)
O13—C38—H38A	109.6	C41'—C40'—C39'	119.9 (9)
C39—C38—H38A	109.6	C41'—C40'—H40'	120.1
O13—C38—H38B	109.6	C39'—C40'—H40'	120.1
C39—C38—H38B	109.6	C42'—C41'—C40'	122.2 (11)
H38A—C38—H38B	108.1	C42'—C41'—H41'	118.9
C40—C39—C44	120.0 (9)	C40'—C41'—H41'	118.9
C40—C39—C38	121.5 (8)	C41'—C42'—C43'	118.1 (12)
C44—C39—C38	118.5 (8)	C41'—C42'—H42'	121.0
C39—C40—C41	119.2 (9)	C43'—C42'—H42'	121.0
C39—C40—H40	120.4	C42'—C43'—C44'	122.0 (11)
C41—C40—H40	120.4	C42'—C43'—H43'	119.0
C42—C41—C40	122.8 (10)	C44'—C43'—H43'	119.0
C42—C41—H41	118.6	C39'—C44'—C43'	119.5 (10)
C40—C41—H41	118.6	C39'—C44'—H44'	120.3
C41—C42—C43	117.9 (10)	C43'—C44'—H44'	120.3
C41—C42—H42	121.1	O15'—C45'—O16'	128.0 (8)
C43—C42—H42	121.1	O15'—C45'—O14'	125.9 (9)
C42—C43—C44	120.0 (9)	O16'—C45'—O14'	106.2 (8)
C42—C43—H43	120.0	O16'—C46'—C47'	109.0 (6)
C44—C43—H43	120.0	O16'—C46'—H46C	109.9
C39—C44—C43	120.1 (9)	C47'—C46'—H46C	109.9
C39—C44—H44	119.9	O16'—C46'—H46D	109.9
C43—C44—H44	119.9	C47'—C46'—H46D	109.9
O15—C45—O16	128.0 (8)	H46C—C46'—H46D	108.3
O15—C45—O14	125.4 (9)	C46'—C47'—C48'	113.4 (7)
O16—C45—O14	106.5 (7)	C46'—C47'—C59'	108.7 (6)
O16—C46—C47	108.2 (6)	C48'—C47'—C59'	102.4 (7)
O16—C46—H46A	110.1	C46'—C47'—H47'	110.7
C47—C46—H46A	110.1	C48'—C47'—H47'	110.7
O16—C46—H46B	110.1	C59'—C47'—H47'	110.7
C47—C46—H46B	110.1	C49'—C48'—C53'	121.2 (9)
H46A—C46—H46B	108.4	C49'—C48'—C47'	128.8 (8)
C46—C47—C48	114.3 (7)	C53'—C48'—C47'	110.0 (7)
C46—C47—C59	110.3 (6)	C48'—C49'—C50'	118.7 (9)
C48—C47—C59	102.2 (7)	C48'—C49'—H49'	120.7
C46—C47—H47	109.9	C50'—C49'—H49'	120.7
C48—C47—H47	109.9	C51'—C50'—C49'	119.2 (9)
C59—C47—H47	109.9	C51'—C50'—H50'	120.4
C49—C48—C53	121.0 (9)	C49'—C50'—H50'	120.4
C49—C48—C47	129.5 (8)	C52'—C51'—C50'	122.2 (9)
C53—C48—C47	109.4 (7)	C52'—C51'—H51'	118.9
C48—C49—C50	118.7 (9)	C50'—C51'—H51'	118.9
C48—C49—H49	120.6	C51'—C52'—C53'	118.6 (9)
C50—C49—H49	120.6	C51'—C52'—H52'	120.7
C51—C50—C49	120.7 (9)	C53'—C52'—H52'	120.7
C51—C50—H50	119.6	C52'—C53'—C48'	120.1 (8)
C49—C50—H50	119.6	C52'—C53'—C54'	131.0 (9)
C52—C51—C50	120.9 (9)	C48'—C53'—C54'	109.0 (8)
C52—C51—H51	119.6	C55'—C54'—C59'	119.3 (9)
C50—C51—H51	119.6	C55'—C54'—C53'	131.9 (9)
C51—C52—C53	118.7 (10)	C59'—C54'—C53'	108.7 (8)
C51—C52—H52	120.7	C56'—C55'—C54'	119.9 (9)
C53—C52—H52	120.7	C56'—C55'—H55'	120.0
C52—C53—C48	119.9 (9)	C54'—C55'—H55'	120.0
C52—C53—C54	131.0 (9)	C55'—C56'—C57'	120.4 (9)
C48—C53—C54	109.1 (8)	C55'—C56'—H56'	119.8
C59—C54—C55	119.6 (9)	C57'—C56'—H56'	119.8
C59—C54—C53	109.4 (8)	C56'—C57'—C58'	120.5 (9)
C55—C54—C53	131.1 (9)	C56'—C57'—H57'	119.8
C56—C55—C54	119.8 (10)	C58'—C57'—H57'	119.8
C56—C55—H55	120.1	C59'—C58'—C57'	119.1 (9)
C54—C55—H55	120.1	C59'—C58'—H58'	120.4
C55—C56—C57	120.1 (9)	C57'—C58'—H58'	120.4
C55—C56—H56	119.9	C58'—C59'—C54'	120.7 (8)
C57—C56—H56	119.9	C58'—C59'—C47'	129.7 (8)
C56—C57—C58	121.6 (9)	C54'—C59'—C47'	109.5 (7)
C56—C57—H57	119.2	O13'—C38A—C39'	108.0 (11)
C58—C57—H57	119.2	O13'—C38A—H38C	105.0 (17)
C59—C58—C57	117.5 (9)	C39'—C38A—H38C	106.4 (18)
C59—C58—H58	121.3	O13'—C38A—H38D	114.2 (19)
C57—C58—H58	121.3	C39'—C38A—H38D	115.6 (18)
C58—C59—C54	121.4 (8)	H38C—C38A—H38D	106.8 (15)
C58—C59—C47	128.8 (8)	O13'—C38B—C39'	104.2 (12)
C54—C59—C47	109.8 (7)	O13'—C38B—H38E	117 (2)
C1'—O1'—C6'	114.0 (6)	C39'—C38B—H38E	114.8 (17)
C13'—O2'—C2'	119.8 (6)	O13'—C38B—H38F	113.1 (18)
C3'—O3'—C20'	111.2 (6)	C39'—C38B—H38F	110.6 (18)
C30'—O4'—C4'	113.0 (6)	H38E—C38B—H38F	96.9 (16)
C5'—O5'—C1'	112.4 (5)
C6—O1—C1—O5	−92.1 (7)	C5'—O5'—C1'—C2'	−57.4 (8)
C6—O1—C1—C2	149.3 (6)	C13'—O2'—C2'—C3'	−127.5 (7)
C5—O5—C1—O1	−176.0 (6)	C13'—O2'—C2'—C1'	110.0 (7)
C5—O5—C1—C2	−59.0 (8)	O1'—C1'—C2'—O2'	−79.4 (7)
C13—O2—C2—C1	115.1 (7)	O5'—C1'—C2'—O2'	163.8 (5)
C13—O2—C2—C3	−123.2 (7)	O1'—C1'—C2'—C3'	162.3 (6)
O1—C1—C2—O2	−76.6 (7)	O5'—C1'—C2'—C3'	45.6 (9)
O5—C1—C2—O2	166.0 (6)	C20'—O3'—C3'—C4'	124.2 (7)
O1—C1—C2—C3	165.7 (6)	C20'—O3'—C3'—C2'	−112.6 (7)
O5—C1—C2—C3	48.4 (9)	O2'—C2'—C3'—O3'	69.6 (7)
C20—O3—C3—C2	−109.5 (7)	C1'—C2'—C3'—O3'	−172.8 (6)
C20—O3—C3—C4	127.8 (6)	O2'—C2'—C3'—C4'	−165.2 (6)
O2—C2—C3—O3	70.6 (7)	C1'—C2'—C3'—C4'	−47.6 (9)
C1—C2—C3—O3	−172.0 (6)	C30'—O4'—C4'—C3'	94.1 (7)
O2—C2—C3—C4	−165.8 (6)	C30'—O4'—C4'—C5'	−148.8 (6)
C1—C2—C3—C4	−48.4 (9)	O3'—C3'—C4'—O4'	−62.3 (8)
C30—O4—C4—C5	−154.8 (6)	C2'—C3'—C4'—O4'	176.1 (6)
C30—O4—C4—C3	88.9 (7)	O3'—C3'—C4'—C5'	177.8 (6)
O3—C3—C4—O4	−65.5 (8)	C2'—C3'—C4'—C5'	56.3 (8)
C2—C3—C4—O4	172.7 (6)	C1'—O5'—C5'—C27'	−164.4 (6)
O3—C3—C4—C5	176.8 (6)	C1'—O5'—C5'—C4'	69.9 (8)
C2—C3—C4—C5	55.0 (8)	O4'—C4'—C5'—O5'	172.8 (5)
C1—O5—C5—C4	69.5 (8)	C3'—C4'—C5'—O5'	−67.1 (7)
C1—O5—C5—C27	−164.1 (6)	O4'—C4'—C5'—C27'	53.1 (9)
O4—C4—C5—O5	175.7 (5)	C3'—C4'—C5'—C27'	173.1 (7)
C3—C4—C5—O5	−64.9 (7)	C1'—O1'—C6'—C11'	83.6 (9)
O4—C4—C5—C27	55.1 (9)	C1'—O1'—C6'—C7'	−96.8 (8)
C3—C4—C5—C27	174.5 (7)	C11'—C6'—C7'—C8'	0.1 (12)
C1—O1—C6—C11	80.3 (9)	O1'—C6'—C7'—C8'	−179.6 (7)
C1—O1—C6—C7	−101.0 (8)	C6'—C7'—C8'—C9'	−0.9 (12)
C11—C6—C7—C8	−0.2 (13)	C12'—O7'—C9'—C10'	−6.0 (11)
O1—C6—C7—C8	−178.9 (7)	C12'—O7'—C9'—C8'	174.7 (7)
C6—C7—C8—C9	−0.7 (13)	C7'—C8'—C9'—C10'	1.0 (12)
C7—C8—C9—C10	0.5 (14)	C7'—C8'—C9'—O7'	−179.7 (7)
C7—C8—C9—O7	179.1 (8)	O7'—C9'—C10'—C11'	−179.5 (7)
C12—O7—C9—C10	−4.2 (12)	C8'—C9'—C10'—C11'	−0.3 (12)
C12—O7—C9—C8	177.2 (8)	C7'—C6'—C11'—C10'	0.7 (12)
C8—C9—C10—C11	0.6 (13)	O1'—C6'—C11'—C10'	−179.7 (7)
O7—C9—C10—C11	−177.9 (8)	C9'—C10'—C11'—C6'	−0.5 (12)
C7—C6—C11—C10	1.3 (12)	C2'—O2'—C13'—O6'	0.9 (11)
O1—C6—C11—C10	179.9 (7)	C2'—O2'—C13'—C14'	−179.9 (6)
C9—C10—C11—C6	−1.5 (12)	O6'—C13'—C14'—C19'	−9.2 (12)
C2—O2—C13—O6	−1.0 (11)	O2'—C13'—C14'—C19'	171.6 (7)
C2—O2—C13—C14	179.5 (6)	O6'—C13'—C14'—C15'	169.3 (8)
O6—C13—C14—C19	−6.8 (12)	O2'—C13'—C14'—C15'	−9.9 (11)
O2—C13—C14—C19	172.7 (7)	C19'—C14'—C15'—C16'	3.1 (13)
O6—C13—C14—C15	170.1 (9)	C13'—C14'—C15'—C16'	−175.3 (8)
O2—C13—C14—C15	−10.4 (11)	C14'—C15'—C16'—C17'	−1.6 (13)
C19—C14—C15—C16	3.1 (12)	C15'—C16'—C17'—C18'	−0.4 (13)
C13—C14—C15—C16	−173.8 (8)	C16'—C17'—C18'—C19'	1.1 (13)
C14—C15—C16—C17	−2.3 (13)	C15'—C14'—C19'—C18'	−2.4 (13)
C15—C16—C17—C18	0.1 (14)	C13'—C14'—C19'—C18'	176.0 (8)
C16—C17—C18—C19	1.3 (14)	C17'—C18'—C19'—C14'	0.4 (13)
C15—C14—C19—C18	−1.7 (12)	C3'—O3'—C20'—C21'	163.6 (6)
C13—C14—C19—C18	175.3 (8)	O3'—C20'—C21'—C22'	105.5 (9)
C17—C18—C19—C14	−0.5 (14)	O3'—C20'—C21'—C26'	−80.4 (9)
C3—O3—C20—C21	169.6 (7)	C26'—C21'—C22'—C23'	0.1 (12)
O3—C20—C21—C22	86.6 (10)	C20'—C21'—C22'—C23'	174.3 (8)
O3—C20—C21—C26	−97.4 (9)	C21'—C22'—C23'—C24'	−0.8 (13)
C26—C21—C22—C23	−1.5 (13)	C22'—C23'—C24'—C25'	0.3 (13)
C20—C21—C22—C23	174.5 (8)	C23'—C24'—C25'—C26'	1.0 (13)
C21—C22—C23—C24	0.6 (15)	C24'—C25'—C26'—C21'	−1.8 (13)
C22—C23—C24—C25	0.2 (15)	C22'—C21'—C26'—C25'	1.3 (12)
C23—C24—C25—C26	0.1 (15)	C20'—C21'—C26'—C25'	−173.1 (8)
C24—C25—C26—C21	−1.0 (14)	C28'—O8'—C27'—C5'	−98.9 (7)
C22—C21—C26—C25	1.7 (13)	O5'—C5'—C27'—O8'	61.6 (8)
C20—C21—C26—C25	−174.4 (8)	C4'—C5'—C27'—O8'	−178.3 (6)
C28—O8—C27—C5	−99.2 (7)	C27'—O8'—C28'—O9'	−15.5 (11)
O5—C5—C27—O8	62.4 (8)	C27'—O8'—C28'—C29'	166.0 (6)
C4—C5—C27—O8	−176.2 (6)	O9'—C28'—C29'—Cl1'	−4.2 (11)
C27—O8—C28—O9	−15.3 (11)	O8'—C28'—C29'—Cl1'	174.2 (5)
C27—O8—C28—C29	166.2 (6)	C31'—O10'—C30'—O4'	61.5 (8)
O9—C28—C29—Cl1	−1.6 (12)	C31'—O10'—C30'—C34'	−59.1 (8)
O8—C28—C29—Cl1	176.8 (5)	C4'—O4'—C30'—O10'	75.7 (7)
C4—O4—C30—O10	75.9 (7)	C4'—O4'—C30'—C34'	−163.8 (6)
C4—O4—C30—C34	−162.0 (6)	C30'—O10'—C31'—C35'	178.2 (6)
C31—O10—C30—O4	60.0 (8)	C30'—O10'—C31'—C32'	56.4 (8)
C31—O10—C30—C34	−60.6 (8)	C45'—O14'—C32'—C33'	103.8 (8)
C30—O10—C31—C35	−177.8 (6)	C45'—O14'—C32'—C31'	−137.3 (7)
C30—O10—C31—C32	60.0 (8)	O10'—C31'—C32'—O14'	−168.0 (6)
C45—O14—C32—C33	108.6 (8)	C35'—C31'—C32'—O14'	73.2 (9)
C45—O14—C32—C31	−134.0 (7)	O10'—C31'—C32'—C33'	−52.0 (9)
O10—C31—C32—O14	−172.3 (6)	C35'—C31'—C32'—C33'	−170.7 (7)
C35—C31—C32—O14	69.4 (9)	C38A—O13'—C33'—C34'	−148.0 (15)
O10—C31—C32—C33	−56.4 (9)	C38B—O13'—C33'—C34'	−118.6 (15)
C35—C31—C32—C33	−174.8 (7)	C38A—O13'—C33'—C32'	92.4 (15)
C38—O13—C33—C34	62.7 (9)	C38B—O13'—C33'—C32'	121.9 (14)
C38—O13—C33—C32	−64.6 (9)	O14'—C32'—C33'—O13'	−72.0 (8)
O14—C32—C33—O13	−58.5 (8)	C31'—C32'—C33'—O13'	172.7 (7)
C31—C32—C33—O13	−173.3 (7)	O14'—C32'—C33'—C34'	169.4 (6)
O14—C32—C33—C34	172.0 (6)	C31'—C32'—C33'—C34'	54.1 (9)
C31—C32—C33—C34	57.2 (9)	N2'—N1'—C34'—C33'	−91.5 (9)
N2—N1—C34—C33	−72.2 (10)	N2'—N1'—C34'—C30'	147.0 (8)
N2—N1—C34—C30	168.3 (8)	O13'—C33'—C34'—N1'	63.7 (9)
O13—C33—C34—N1	56.6 (9)	C32'—C33'—C34'—N1'	−176.3 (6)
C32—C33—C34—N1	−174.5 (6)	O13'—C33'—C34'—C30'	−177.2 (7)
O13—C33—C34—C30	174.9 (7)	C32'—C33'—C34'—C30'	−57.1 (9)
C32—C33—C34—C30	−56.1 (9)	O10'—C30'—C34'—N1'	−179.8 (7)
O4—C30—C34—N1	55.2 (8)	O4'—C30'—C34'—N1'	57.3 (9)
O10—C30—C34—N1	178.8 (7)	O10'—C30'—C34'—C33'	58.4 (9)
O4—C30—C34—C33	−66.8 (8)	O4'—C30'—C34'—C33'	−64.5 (9)
O10—C30—C34—C33	56.8 (9)	C36'—O11'—C35'—C31'	99.2 (9)
C36—O11—C35—C31	97.7 (9)	O10'—C31'—C35'—O11'	71.6 (8)
O10—C31—C35—O11	75.3 (8)	C32'—C31'—C35'—O11'	−168.2 (7)
C32—C31—C35—O11	−165.5 (7)	C35'—O11'—C36'—O12'	−4.9 (14)
C35—O11—C36—O12	−4.6 (13)	C35'—O11'—C36'—C37'	179.0 (7)
C35—O11—C36—C37	178.4 (7)	C44'—C39'—C40'—C41'	−0.1 (14)
C33—O13—C38—C39	−171.9 (7)	C38A—C39'—C40'—C41'	−175.8 (11)
O13—C38—C39—C40	−24.3 (12)	C38B—C39'—C40'—C41'	174.6 (13)
O13—C38—C39—C44	157.6 (8)	C39'—C40'—C41'—C42'	−0.9 (16)
C44—C39—C40—C41	−0.7 (15)	C40'—C41'—C42'—C43'	0.5 (18)
C38—C39—C40—C41	−178.8 (9)	C41'—C42'—C43'—C44'	0.8 (19)
C39—C40—C41—C42	1.6 (16)	C40'—C39'—C44'—C43'	1.3 (15)
C40—C41—C42—C43	−0.5 (16)	C38A—C39'—C44'—C43'	175.9 (13)
C41—C42—C43—C44	−1.4 (16)	C38B—C39'—C44'—C43'	−174.9 (11)
C40—C39—C44—C43	−1.2 (14)	C42'—C43'—C44'—C39'	−1.7 (17)
C38—C39—C44—C43	176.9 (8)	C46'—O16'—C45'—O15'	3.3 (13)
C42—C43—C44—C39	2.3 (15)	C46'—O16'—C45'—O14'	−177.1 (6)
C46—O16—C45—O15	0.4 (12)	C32'—O14'—C45'—O15'	15.4 (13)
C46—O16—C45—O14	−177.1 (6)	C32'—O14'—C45'—O16'	−164.2 (6)
C32—O14—C45—O15	14.6 (12)	C45'—O16'—C46'—C47'	116.1 (8)
C32—O14—C45—O16	−167.9 (6)	O16'—C46'—C47'—C48'	−67.0 (9)
C45—O16—C46—C47	128.0 (7)	O16'—C46'—C47'—C59'	179.9 (6)
O16—C46—C47—C48	−68.4 (9)	C46'—C47'—C48'—C49'	67.3 (11)
O16—C46—C47—C59	177.2 (6)	C59'—C47'—C48'—C49'	−175.8 (8)
C46—C47—C48—C49	63.1 (11)	C46'—C47'—C48'—C53'	−110.8 (8)
C59—C47—C48—C49	−177.8 (8)	C59'—C47'—C48'—C53'	6.1 (9)
C46—C47—C48—C53	−116.2 (8)	C53'—C48'—C49'—C50'	3.2 (12)
C59—C47—C48—C53	2.9 (9)	C47'—C48'—C49'—C50'	−174.7 (8)
C53—C48—C49—C50	2.9 (12)	C48'—C49'—C50'—C51'	−2.9 (13)
C47—C48—C49—C50	−176.4 (8)	C49'—C50'—C51'—C52'	0.9 (14)
C48—C49—C50—C51	−1.3 (13)	C50'—C51'—C52'—C53'	0.8 (13)
C49—C50—C51—C52	−0.7 (14)	C51'—C52'—C53'—C48'	−0.5 (12)
C50—C51—C52—C53	1.1 (14)	C51'—C52'—C53'—C54'	179.8 (8)
C51—C52—C53—C48	0.4 (13)	C49'—C48'—C53'—C52'	−1.6 (12)
C51—C52—C53—C54	179.4 (9)	C47'—C48'—C53'—C52'	176.7 (7)
C49—C48—C53—C52	−2.5 (13)	C49'—C48'—C53'—C54'	178.2 (7)
C47—C48—C53—C52	176.9 (8)	C47'—C48'—C53'—C54'	−3.5 (9)
C49—C48—C53—C54	178.3 (7)	C52'—C53'—C54'—C55'	1.5 (15)
C47—C48—C53—C54	−2.3 (9)	C48'—C53'—C54'—C55'	−178.3 (9)
C52—C53—C54—C59	−178.5 (9)	C52'—C53'—C54'—C59'	178.9 (9)
C48—C53—C54—C59	0.6 (10)	C48'—C53'—C54'—C59'	−0.9 (9)
C52—C53—C54—C55	1.9 (16)	C59'—C54'—C55'—C56'	−1.3 (12)
C48—C53—C54—C55	−179.1 (9)	C53'—C54'—C55'—C56'	175.8 (8)
C59—C54—C55—C56	−1.2 (13)	C54'—C55'—C56'—C57'	0.1 (13)
C53—C54—C55—C56	178.4 (9)	C55'—C56'—C57'—C58'	1.6 (13)
C54—C55—C56—C57	1.1 (14)	C56'—C57'—C58'—C59'	−2.2 (13)
C55—C56—C57—C58	−1.1 (14)	C57'—C58'—C59'—C54'	1.0 (12)
C56—C57—C58—C59	1.1 (13)	C57'—C58'—C59'—C47'	178.7 (8)
C57—C58—C59—C54	−1.2 (12)	C55'—C54'—C59'—C58'	0.8 (12)
C57—C58—C59—C47	179.1 (8)	C53'—C54'—C59'—C58'	−177.0 (7)
C55—C54—C59—C58	1.3 (13)	C55'—C54'—C59'—C47'	−177.3 (7)
C53—C54—C59—C58	−178.4 (7)	C53'—C54'—C59'—C47'	4.9 (9)
C55—C54—C59—C47	−179.0 (7)	C46'—C47'—C59'—C58'	−64.3 (11)
C53—C54—C59—C47	1.3 (9)	C48'—C47'—C59'—C58'	175.5 (8)
C46—C47—C59—C58	−61.0 (11)	C46'—C47'—C59'—C54'	113.6 (8)
C48—C47—C59—C58	177.1 (8)	C48'—C47'—C59'—C54'	−6.6 (8)
C46—C47—C59—C54	119.3 (8)	C33'—O13'—C38A—C39'	149.3 (12)
C48—C47—C59—C54	−2.6 (8)	C44'—C39'—C38A—O13'	−57 (2)
C6'—O1'—C1'—O5'	−91.4 (7)	C40'—C39'—C38A—O13'	118.4 (16)
C6'—O1'—C1'—C2'	150.3 (6)	C33'—O13'—C38B—C39'	175.2 (13)
C5'—O5'—C1'—O1'	−173.9 (6)	C44'—C39'—C38B—O13'	−100.1 (17)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C1—H1···O6′	1.00	2.32	3.265 (10)	157
C1′—H1′···O6^i	1.00	2.33	3.276 (10)	157
C4—H4···O8′^ii	1.00	2.56	3.512 (9)	159
C4′—H4′···O8	1.00	2.55	3.508 (9)	160
C27—H27A···O10′	0.99	2.63	3.507 (10)	148
C29—H29A···O9′	0.99	2.33	3.258 (11)	156
C29′—H29C···O9^i	0.99	2.35	3.273 (8)	154
C34′—H34′···O13	1.00	2.54	3.529 (7)	172
C35—H35B···O14′^ii	0.99	2.49	3.476 (7)	174
C35′—H35D···O14	0.99	2.63	3.569 (10)	158
C44—H44···Cg1^ii	0.95	2.91	3.849 (10)	171

Symmetry codes: (i) x+1, y, z; (ii) x−1, y, z.