A new ring-like arrangement of vanadyl(IV) groups bridged by mono­dentate alkoxides: cyclo-deca­kis­(μ-cyclohexyl­methanol­ato)penta­kis[oxido­vanadium(IV)]

The penta­nuclear title compound, [V₅(C₇H₁₃O)₁₀O₅], has a metal–oxygen core that consists of five vanadyl(IV) centres bridged by the O atoms of cyclo­hexyl­methanol­ate ligands. This particular ring topology is new to oxovanadium(IV) chemistry and resembles the structure proposed for [V₅O₁₅]⁵⁻ on the basis of ⁵¹V NMR studies in aqueous solution. The bulky cyclo­hexyl­methanol­ate ligands adopt chair-like conformations and project outwards from the central cyclic core. The title compound crystallizes in a centrosymmetric triclinic unit cell, which contains four independent but chemically identical mol­ecules in the asymmetric unit. The crystal structure is devoid of any significant inter­molecular inter­actions.

S1. Comment

In the last few decades, the versatility of alkoxide ligands for assembling high-nuclearity metal aggregates has been highlighted by many researchers (Chisholm, 1983; Turova et al., 2002; Rosenthal et al., 2008). An appealing diversity of structural types arises from a variety of M:L combinations and leads to a broad range of applications, particularly in the catalytic conversion of a number of substrates (Boettcher et al., 2007; Helwani et al., 2009; Antiñolo et al., 2012). Alkoxides of vanadium have also been successfully employed in the preparation of various technologically relevant polyoxovanadate and oxide frameworks (Perucchi et al., 2009; Wu & Xie, 2010; Hayashi, 2011; Mizuno & Kamata, 2011).

Metal alkoxides are generally highly reactive and susceptible to hydrolysis, even in the presence of trace amounts of water (Bradley et al., 1978; Turova et al., 2002; Kessler & Seisenbaeva, 2000). As a consequence, several oxoalkoxides and polyoxoalkoxides have been reported as side products from partial metal alkoxide hydrolysis. The extension of this reaction seems to depend not only on the amount of water present in the reaction mixture, but also on a complex equilibrium involving several thermodynamically unstable species, the concentrations of which vary with metal oxophilicity, ligand bulk and miscibility of water in the reaction mixture (Mehrotra & Singh, 1996).

Our current interest lies in furthering our understanding of the aggregation equilibria of vanadium alkoxides in solution, with an emphasis on the effects of these equilibria on the thermochromic and magnetic properties of the products (Reis et al., 2009; de Freitas et al., 2010; Westrup et al., 2011). We are now focusing on complexes prepared from relatively bulky alkoxide ligands, which could help in controlling aggregation and reactivity, together with tuning the extent and nature of magnetic exchange interactions between the metal centres.

The cyclic core of the title compound, (I), is similar to that reported for the anionic tetravanadate(V), [V₄O₁₂]^4-, the crystal structure of which is well established (Zhang et al., 1997; Nakano et al., 2002; Wang et al., 2004; Joniakova et al., 2006). It also resembles the spatial arrangement proposed for [V₅O₁₅]^5-, which is reported to form in aqueous solution at pH values close to neutrality (Aureliano & Crans, 2009; Crans et al., 2009). Despite the abundant ⁵¹V NMR spectroscopy data that give support to the suggested ring structure of [V₅O₁₅]^5-, only one solid-state structure has yet been reported to contain pentanuclear vanadate(V) rings, occurring as part of an [{Ni₈(bipy)₁₆}V₂₄O₆₈].8.5H₂O complex framework (bpy is ?,?'-bipyridine?; Fernandez de Luis et al., 2010). In this case, the {V₅O₁₅} units are located in the channels of the nickel–organic framework and are linked to each other through single VO₄^3- tetrahedra.

Occurrences of {V₅O_x} units in other topologies have seldom been reported. Crystals of K₃V₅O₁₄ were isolated from aqueous solutions of KVO₃ acidified to pH 6 and consist of layers of corner-shared square and trigonal pyramids (Evans & Brusewitz, 1994). More recently, the structure of (C₆H₁₄N)₅[V₅O₁₅] was reported to contain tetrahedral vanadium(V) centres disposed in a linear chain (Wang et al., 2004). However, to the best of our knowledge, no related aggregates of oxovanadium(IV), either linear or cyclic, have been reported. Moreover, no cases of homometal vanadyl alkoxides with wheel-like structures, such as that observed for (I), have been described for vanadium(IV) or vanadium(V).

Compound (I) crystallizes in the triclinic space group P1, with four independent (but very similar) molecules in the asymmetric unit (molecule A in Fig. 1, and molecules B, C and D provided as Supplementary materials). The crystallographic characterization reveals a wheel-like arrangement of the five vanadyl(IV) groups bridged by the O-donor atoms of the alkoxide ligands. The distorted square-pyramidal environment of vanadium is that frequently seen in VO²⁺ complexes, in this case characterized by values of the angular structural parameter τ smaller than or close to 0.5° (Cornman et al., 1997). In fact, the τ values are in the ranges 0.02–0.50, 0.01–0.54, 0.08–0.43 and 0.22–0.60° for molecules A, B, C and D, respectively. This indicates that the square-based pyramidal geometry of the five-coordinate vanadium centres presents a small distortion towards a trigonal-bipyramidal environment. Variations in the distance from the vanadium centres to the basal planes of each pyramid are small, ranging from 0.6856 (9) to 0.7036 (9) Å.

The V—O—V angles in the cyclic core are in the range 101.31 (8)–105.30 (8)°, while the O_alkoxide—V—O_alkoxide bond angles vary from 90.42 (8) to 93.74 (7)°. The nonbonding V···V distances are nearly identical, with an average value of 3.1126 (6) Å. These distances are slightly shorter than that reported for the structurally related vanadium(IV) cyclohexanoxide (OCy) dimer, [{V(OCy)₃}₂(µ-OCy)₂] [3.186 (2) Å; Westrup et al., 2011].

The cyclohexyl (Cy) substituent on each bridging ligand is oriented such that the O—C vectors are projected outwards from the pentanuclear ring. As far as the five vanadyl O atoms are concerned, they lie alternately on opposite sides of the mean plane formed by the V atoms. As expected, the strong V—O_oxide bonds have short lengths ranging from 1.587 (2) to 1.592 (2) Å, with an average value of 1.589 (2) Å. For the V—O_alkoxide bonds, the average values for each of the four independent molecules are equivalent [1.987 (2), 1.986 (2), 1.986 (2) and 1.986 (2) Å for molecules A–D, respectively]. These bond distances are similar to those observed in the homoleptic non-oxide vanadium(IV) alkoxide [{V(OCy)₃}₂(µ-OCy)₂] (Westrup et al., 2011).

All the cyclohexane rings adopt a chair conformation. In each of molecules B and C, one of these rings is found to be disordered over two positions. This disorder was modelled according to the occupancy factor for each alternative atomic placement. All bond angles and distances in the Cy rings fall within expected ranges. No intra- or intermolecular hydrogen bonding nor even weaker interaction was observed in the pentanuclear structure.

A rational synthesis of (I) is under way to improve its yield and provide enough material for further characterization and application studies. Among other possibilities, this neutral pentavanadyl(IV) ring has a good potential to function as a metalla(macro)cyclic ligand to other d- and f-block metals, similar to what was described recently for some polyoxovanadates (Nishio et al., 2011).

Related literature

For related literature, see: Antiñolo, Carrillo-Hermosilla, Cadierno, García-Álvarez & Otero (2012); Aureliano & Crans (2009); Boettcher et al. (2007); Bradley et al. (1978); Chisholm (1983); Cornman et al. (1997); Crans et al. (2009); Evans & Brusewitz (1994); Fernandez de Luis, Urtiaga, Mesa, Aguayo, Rojo & Arriortua (2010); Freitas et al. (2010); Hayashi (2011); Helwani et al. (2009); Joniakova et al. (2006); Kessler & Seisenbaeva (2000); Mehrotra & Singh (1996); Mizuno & Kamata (2011); Nakano et al. (2002); Nishio et al. (2011); Perucchi et al. (2009); Reis et al. (2009); Rosenthal et al. (2008); Sheldrick (2008); Turova et al. (2002); Wang et al. (2004); Westrup et al. (2011); Wu & Xie (2010); Zhang et al. (1997).

S2. Experimental

All operations were carried out under N₂ using standard Schlenk and glove-box techniques. Solvents were dried and distilled under N₂ prior to use. The title compound crystallized during attempts to prepare homoleptic non-oxide-containing vanadium(IV) dimers formulated as [{V(OR)₃}₂(µ-OR)₂], where OR is cyclohexylmethanolate. The basic synthetic procedure was carried out according to our previous work (Reis et al., 2009; Westrup et al., 2011), but in this case the very high solubility of the product in medium- and low-polarity organic solvents made isolation more difficult. A mixture of cyclohexylmethanol (9.28 g, 81.3 mmol) in hexane (10 ml) was added slowly to a blue solution of [V(O^tBu)₄] (1.40 g, 4.06 mmol) in toluene (15 ml). The two-phase liquid mixture was left in the glove-box at room temperature for 3 d, after which time liquid diffusion was complete and the solution had changed colour to dark green. Precipitation was not observed at room temperature nor at 253 K. When evaporated to dryness, the reaction mixture yielded a yellow–green oil that dissolved again upon addition of toluene or hexane. An aged reaction mixture left at room temperature in the glove-box for eight weeks eventually gave a mixture of very thin green needles and light-blue prisms. Crystals of the green product, possibly the desired non-oxide-containing vanadium(IV) alkoxide dimer, were too thin to give a suitable X-ray diffraction pattern. The blue crystals, on the other hand, diffracted reasonably well and revealed the occurrence of partial hydrolysis of the product in the reaction mixture, with the consequent formation of the title pentavanadyl(IV) complex, (I).

S3. Refinement

The site-occupancy factors for the disordered cyclohexyl rings in molecules B and C are 0.6:0.4 and 0.570 (4):0.430 (4), respectively. In these rings, the bond distances were refined with similarity restraints (SHELXL97; Sheldrick, 2008): SAME was used to restrain the bond lengths and angles, while DELU and SIMU were applied to keep the atomic displacement parameters similar.

All H atoms were positioned geometrically and allowed to ride on their respective parent atoms, with C—H = 1.00 for methine (CH) or 0.99 Å for methylene (CH₂) groups, and with U_iso(H) = 1.2U_eq(C).

Computing details

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT (Bruker, 2009); program(s) used to solve structure: SIR2011 (Burla et al., 2012); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures

	Fig. 1. The molecular structure of molecule A of (I), shown with 30% probability displacement ellipsoids. A similar numbering scheme is used for molecules B, C and D. H atoms have been omitted for clarity.
	Fig. 2. The wheel-like arrangement of (I), emphasizing the coordination environment of the vanadium centres. Displacement ellipsoids are drawn at the 50% probability level.

cyclo-Decakis(µ-cyclohexylmethanolato)pentakis[oxidovanadium(IV)]

Crystal data

[V5(C7H13O)10O5]	Z = 8
Mr = 1466.44	F(000) = 6280
Triclinic, P1	Dx = 1.24 Mg m^−3
Hall symbol: -P 1	Cu Kα radiation, λ = 1.54184 Å
a = 12.1015 (1) Å	Cell parameters from 9375 reflections
b = 35.8825 (4) Å	θ = 2.5–70.8°
c = 36.2749 (4) Å	µ = 5.27 mm^−1
α = 86.139 (1)°	T = 150 K
β = 89.814 (1)°	Block, light blue
γ = 88.461 (1)°	0.16 × 0.14 × 0.1 mm
V = 15710.3 (3) Å^3

Data collection

Bruker APEXII CCD area-detector diffractometer	58610 independent reflections
Radiation source: sealed x-ray tube	53657 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.037
ϕ or ω oscillation scans	θmax = 71.2°, θmin = 1.2°
Absorption correction: multi-scan (SADABS; Bruker, 2009)	h = −14→14
Tmin = 0.636, Tmax = 0.753	k = −44→43
311534 measured reflections	l = −44→44

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.044	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.117	H-atom parameters constrained
S = 1.04	w = 1/[σ^2(Fo^2) + (0.0533P)^2 + 17.7549P] where P = (Fo^2 + 2Fc^2)/3
58610 reflections	(Δ/σ)max = 0.048
3350 parameters	Δρmax = 1.31 e Å^−3
223 restraints	Δρmin = −1.07 e Å^−3

Special details

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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 > 2σ(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)
V1A	0.08442 (3)	0.208896 (10)	0.480664 (10)	0.01936 (8)
V2A	0.08703 (3)	0.248778 (10)	0.401259 (10)	0.01984 (8)
V3A	0.09183 (3)	0.187396 (10)	0.344659 (10)	0.02144 (8)
V4A	0.13114 (3)	0.110880 (10)	0.389315 (10)	0.02013 (8)
V5A	0.11158 (3)	0.123392 (10)	0.473026 (10)	0.02014 (8)
O1A	0.06777 (14)	0.22925 (5)	0.51803 (4)	0.0278 (3)
O2A	−0.01174 (12)	0.24015 (4)	0.44532 (4)	0.0217 (3)
O3A	0.18540 (12)	0.23004 (4)	0.44251 (4)	0.0222 (3)
O4A	0.09116 (14)	0.29249 (4)	0.39120 (4)	0.0272 (3)
O5A	−0.01142 (13)	0.22172 (4)	0.36977 (4)	0.0241 (3)
O6A	0.18482 (13)	0.22666 (4)	0.36370 (4)	0.0235 (3)
O7A	0.07665 (15)	0.19330 (5)	0.30119 (5)	0.0312 (4)
O8A	0.01394 (13)	0.14192 (4)	0.36378 (4)	0.0232 (3)
O9A	0.20915 (13)	0.14912 (4)	0.35691 (4)	0.0246 (3)
O10A	0.16097 (13)	0.07203 (4)	0.37260 (4)	0.0267 (3)
O11A	0.03233 (12)	0.09942 (4)	0.43301 (4)	0.0229 (3)
O12A	0.21947 (12)	0.12099 (4)	0.43295 (4)	0.0243 (3)
O13A	0.11988 (14)	0.09093 (5)	0.50508 (5)	0.0289 (4)
O14A	−0.00241 (12)	0.16387 (4)	0.47483 (4)	0.0217 (3)
O15A	0.18795 (12)	0.16594 (4)	0.49403 (4)	0.0218 (3)
C1A	−0.10488 (18)	0.26174 (6)	0.45764 (6)	0.0242 (5)
H1A1	−0.1223	0.2533	0.4835	0.029*
H1A2	−0.1699	0.257	0.4423	0.029*
C2A	−0.08536 (19)	0.30347 (6)	0.45561 (7)	0.0263 (5)
H2A	−0.0677	0.3115	0.4294	0.032*
C3A	−0.1903 (2)	0.32471 (8)	0.46635 (9)	0.0391 (6)
H3A1	−0.2109	0.3167	0.492	0.047*
H3A2	−0.2516	0.3186	0.45	0.047*
C4A	−0.1740 (3)	0.36708 (9)	0.46331 (11)	0.0543 (8)
H4A1	−0.1617	0.3756	0.4371	0.065*
H4A2	−0.2417	0.38	0.4719	0.065*
C5A	−0.0760 (3)	0.37740 (9)	0.48626 (11)	0.0560 (9)
H5A1	−0.0923	0.3718	0.5128	0.067*
H5A2	−0.0639	0.4046	0.4823	0.067*
C6A	0.0287 (2)	0.35594 (7)	0.47592 (9)	0.0412 (6)
H6A1	0.0899	0.3621	0.4923	0.049*
H6A2	0.0496	0.3636	0.4502	0.049*
C7A	0.0116 (2)	0.31386 (7)	0.47950 (7)	0.0305 (5)
H7A1	−0.0031	0.3058	0.5057	0.037*
H7A2	0.0797	0.3006	0.4717	0.037*
C8A	0.30364 (18)	0.22597 (6)	0.44308 (6)	0.0246 (5)
H8A1	0.3318	0.2272	0.4174	0.03*
H8A2	0.3249	0.2012	0.4549	0.03*
C9A	0.35664 (19)	0.25619 (7)	0.46390 (7)	0.0275 (5)
H9A	0.3236	0.2558	0.4892	0.033*
C10A	0.4807 (2)	0.24759 (7)	0.46776 (8)	0.0355 (6)
H10A	0.4923	0.2228	0.4811	0.043*
H10B	0.5139	0.2464	0.4429	0.043*
C11A	0.5389 (2)	0.27709 (9)	0.48853 (9)	0.0439 (7)
H11A	0.5124	0.2761	0.5144	0.053*
H11B	0.6195	0.2715	0.4889	0.053*
C12A	0.5175 (2)	0.31610 (8)	0.47058 (9)	0.0440 (7)
H12A	0.5535	0.3181	0.446	0.053*
H12B	0.5507	0.3346	0.4859	0.053*
C13A	0.3939 (2)	0.32501 (8)	0.46614 (8)	0.0377 (6)
H13A	0.3831	0.3497	0.4525	0.045*
H13B	0.3595	0.3264	0.4908	0.045*
C14A	0.3376 (2)	0.29519 (7)	0.44525 (7)	0.0307 (5)
H14A	0.2572	0.301	0.4439	0.037*
H14B	0.3667	0.2957	0.4197	0.037*
C15A	−0.12965 (19)	0.22349 (7)	0.36891 (7)	0.0282 (5)
H15A	−0.1585	0.2124	0.3926	0.034*
H15B	−0.1558	0.2084	0.3489	0.034*
C16A	−0.1755 (2)	0.26317 (7)	0.36261 (7)	0.0298 (5)
H16A	−0.1447	0.2783	0.3821	0.036*
C17A	−0.3012 (2)	0.26369 (9)	0.36673 (8)	0.0416 (6)
H17A	−0.321	0.2534	0.3918	0.05*
H17B	−0.3333	0.2476	0.3486	0.05*
C18A	−0.3500 (2)	0.30335 (9)	0.36046 (9)	0.0483 (7)
H18A	−0.4317	0.3025	0.3617	0.058*
H18B	−0.3249	0.3187	0.3804	0.058*
C19A	−0.3160 (3)	0.32139 (10)	0.32350 (10)	0.0571 (9)
H19A	−0.3449	0.3475	0.3211	0.069*
H19B	−0.3487	0.3078	0.3035	0.069*
C20A	−0.1902 (3)	0.32104 (10)	0.31925 (11)	0.0599 (9)
H20A	−0.1705	0.3315	0.2942	0.072*
H20B	−0.1579	0.3369	0.3375	0.072*
C21A	−0.1429 (3)	0.28127 (8)	0.32522 (8)	0.0438 (7)
H21A	−0.1699	0.2661	0.3055	0.053*
H21B	−0.0612	0.2817	0.3235	0.053*
C22A	0.28365 (19)	0.24325 (6)	0.34906 (6)	0.0250 (5)
H22A	0.3465	0.2253	0.3535	0.03*
H22B	0.2988	0.2657	0.3625	0.03*
C23A	0.27632 (19)	0.25441 (6)	0.30789 (6)	0.0255 (5)
H23A	0.2636	0.2314	0.2946	0.031*
C24A	0.3857 (2)	0.27082 (7)	0.29435 (7)	0.0306 (5)
H24A	0.4463	0.252	0.2991	0.037*
H24B	0.4018	0.2929	0.3082	0.037*
C25A	0.3807 (2)	0.28233 (8)	0.25299 (8)	0.0395 (6)
H25A	0.4508	0.2941	0.2452	0.047*
H25B	0.3726	0.2598	0.239	0.047*
C26A	0.2848 (3)	0.30952 (8)	0.24387 (8)	0.0435 (7)
H26A	0.281	0.3151	0.2168	0.052*
H26B	0.2971	0.3332	0.2555	0.052*
C27A	0.1757 (2)	0.29335 (8)	0.25762 (8)	0.0392 (6)
H27A	0.1153	0.3122	0.2527	0.047*
H27B	0.1593	0.2712	0.2439	0.047*
C28A	0.1807 (2)	0.28217 (7)	0.29887 (7)	0.0295 (5)
H28A	0.1102	0.2707	0.3068	0.035*
H28B	0.1901	0.3047	0.3127	0.035*
C29A	−0.09528 (19)	0.12920 (7)	0.35709 (7)	0.0281 (5)
H29A	−0.1415	0.1503	0.3462	0.034*
H29B	−0.1294	0.1204	0.3808	0.034*
C30A	−0.09231 (19)	0.09766 (6)	0.33109 (6)	0.0260 (5)
H30A	−0.0346	0.0789	0.3403	0.031*
C31A	−0.2026 (2)	0.07801 (8)	0.33064 (8)	0.0371 (6)
H31A	−0.2618	0.0962	0.3224	0.044*
H31B	−0.2208	0.0679	0.3559	0.044*
C32A	−0.1975 (2)	0.04602 (8)	0.30462 (9)	0.0422 (7)
H32A	−0.1437	0.0266	0.3144	0.051*
H32B	−0.2709	0.0346	0.3038	0.051*
C33A	−0.1639 (3)	0.05955 (8)	0.26584 (8)	0.0431 (7)
H33A	−0.2226	0.0766	0.2549	0.052*
H33B	−0.1563	0.0379	0.2504	0.052*
C34A	−0.0550 (2)	0.08000 (8)	0.26569 (8)	0.0387 (6)
H34A	0.0057	0.0621	0.2734	0.046*
H34B	−0.0388	0.0904	0.2403	0.046*
C35A	−0.0604 (2)	0.11160 (7)	0.29179 (7)	0.0282 (5)
H35A	−0.1153	0.1308	0.2824	0.034*
H35B	0.0126	0.1234	0.2923	0.034*
C36A	0.3159 (2)	0.14914 (7)	0.33961 (7)	0.0293 (5)
H36A	0.3721	0.1548	0.3581	0.035*
H36B	0.3167	0.1693	0.3196	0.035*
C37A	0.34768 (19)	0.11232 (6)	0.32349 (6)	0.0250 (5)
H37A	0.3494	0.0923	0.344	0.03*
C38A	0.4641 (2)	0.11539 (8)	0.30718 (8)	0.0355 (6)
H38A	0.5167	0.1203	0.327	0.043*
H38B	0.4655	0.1368	0.2885	0.043*
C39A	0.5011 (3)	0.07970 (9)	0.28923 (9)	0.0492 (8)
H39A	0.5737	0.0836	0.2771	0.059*
H39B	0.5101	0.059	0.3085	0.059*
C40A	0.4180 (3)	0.06915 (11)	0.26095 (10)	0.0586 (9)
H40A	0.4414	0.0451	0.2512	0.07*
H40B	0.4159	0.0884	0.2401	0.07*
C41A	0.3030 (3)	0.06563 (9)	0.27769 (9)	0.0477 (7)
H41A	0.25	0.0598	0.2583	0.057*
H41B	0.3034	0.0448	0.297	0.057*
C42A	0.2661 (2)	0.10154 (7)	0.29449 (7)	0.0315 (5)
H42A	0.1924	0.0982	0.306	0.038*
H42B	0.2595	0.1219	0.2748	0.038*
C43A	−0.04910 (19)	0.07137 (7)	0.44032 (7)	0.0282 (5)
H43A	−0.1208	0.0808	0.4298	0.034*
H43B	−0.0586	0.0672	0.4674	0.034*
C44A	−0.01944 (19)	0.03454 (6)	0.42449 (6)	0.0253 (5)
H44A	−0.0076	0.0394	0.3973	0.03*
C45A	−0.1146 (2)	0.00745 (7)	0.43003 (7)	0.0314 (5)
H45A	−0.1274	0.0019	0.4568	0.038*
H45B	−0.1831	0.0192	0.4192	0.038*
C46A	−0.0876 (2)	−0.02890 (7)	0.41172 (9)	0.0415 (6)
H46A	−0.148	−0.0466	0.4168	0.05*
H46B	−0.0828	−0.0236	0.3846	0.05*
C47A	0.0207 (3)	−0.04680 (8)	0.42579 (10)	0.0472 (7)
H47A	0.0391	−0.0687	0.4115	0.057*
H47B	0.0119	−0.0558	0.452	0.057*
C48A	0.1155 (2)	−0.01958 (7)	0.42240 (9)	0.0402 (6)
H48A	0.1826	−0.0315	0.434	0.048*
H48B	0.1318	−0.0135	0.396	0.048*
C49A	0.0865 (2)	0.01622 (7)	0.44095 (7)	0.0296 (5)
H49A	0.148	0.0338	0.4375	0.036*
H49B	0.0763	0.0105	0.4678	0.036*
C50A	0.33652 (19)	0.12614 (7)	0.43431 (7)	0.0288 (5)
H50A	0.3562	0.1355	0.4584	0.035*
H50B	0.3578	0.1451	0.4147	0.035*
C51A	0.39923 (19)	0.09003 (7)	0.42919 (7)	0.0290 (5)
H51A	0.3702	0.0792	0.4065	0.035*
C52A	0.5223 (2)	0.09750 (9)	0.42304 (9)	0.0428 (7)
H52A	0.5311	0.1153	0.4012	0.051*
H52B	0.5521	0.1091	0.4448	0.051*
C53A	0.5877 (3)	0.06166 (10)	0.41710 (10)	0.0544 (8)
H53A	0.6673	0.0671	0.4152	0.065*
H53B	0.5646	0.0518	0.3936	0.065*
C54A	0.5700 (3)	0.03215 (10)	0.44869 (11)	0.0566 (9)
H54A	0.6024	0.0406	0.4716	0.068*
H54B	0.6085	0.0085	0.4429	0.068*
C55A	0.4466 (2)	0.02499 (9)	0.45492 (9)	0.0463 (7)
H55A	0.4156	0.0141	0.433	0.056*
H55B	0.4373	0.0069	0.4765	0.056*
C56A	0.3849 (2)	0.06128 (8)	0.46174 (7)	0.0340 (6)
H56A	0.4133	0.0714	0.4845	0.041*
H56B	0.3054	0.0564	0.4654	0.041*
C57A	−0.11775 (18)	0.16290 (6)	0.46601 (6)	0.0236 (4)
H57A	−0.131	0.1407	0.4519	0.028*
H57B	−0.1385	0.1854	0.45	0.028*
C58A	−0.1902 (2)	0.16133 (7)	0.50011 (7)	0.0313 (5)
H58A	−0.1752	0.1837	0.5141	0.038*
C59A	−0.3115 (2)	0.16372 (10)	0.48801 (10)	0.0498 (8)
H59A	−0.3256	0.1877	0.4734	0.06*
H59B	−0.3257	0.1432	0.4718	0.06*
C60A	−0.3914 (3)	0.16103 (11)	0.52070 (12)	0.0682 (12)
H60A	−0.3845	0.1833	0.5352	0.082*
H60B	−0.4682	0.1607	0.5114	0.082*
C61A	−0.3675 (3)	0.12600 (11)	0.54549 (12)	0.0656 (11)
H61A	−0.381	0.1037	0.5317	0.079*
H61B	−0.4177	0.1255	0.5671	0.079*
C62A	−0.2479 (3)	0.12505 (10)	0.55863 (10)	0.0561 (9)
H62A	−0.2329	0.1018	0.5743	0.067*
H62B	−0.2357	0.1465	0.5737	0.067*
C63A	−0.1686 (2)	0.12673 (8)	0.52556 (8)	0.0408 (6)
H63A	−0.0915	0.1267	0.5346	0.049*
H63B	−0.1772	0.1042	0.5116	0.049*
C64A	0.27283 (19)	0.16191 (7)	0.52158 (7)	0.0274 (5)
H64A	0.3334	0.1788	0.5141	0.033*
H64B	0.3033	0.136	0.5224	0.033*
C65A	0.2342 (2)	0.17036 (7)	0.56022 (6)	0.0280 (5)
H65A	0.2123	0.1974	0.5599	0.034*
C66A	0.3313 (2)	0.16310 (8)	0.58714 (7)	0.0377 (6)
H66A	0.3578	0.1368	0.5864	0.045*
H66B	0.393	0.1794	0.5793	0.045*
C67A	0.2970 (3)	0.17071 (9)	0.62673 (8)	0.0459 (7)
H67A	0.3598	0.1644	0.6436	0.055*
H67B	0.2782	0.1976	0.628	0.055*
C68A	0.1985 (3)	0.14785 (9)	0.63908 (7)	0.0434 (7)
H68A	0.1759	0.1542	0.6642	0.052*
H68B	0.2196	0.121	0.6402	0.052*
C69A	0.1014 (2)	0.15532 (8)	0.61262 (7)	0.0376 (6)
H69A	0.0755	0.1817	0.6133	0.045*
H69B	0.0395	0.1392	0.6206	0.045*
C70A	0.1352 (2)	0.14756 (7)	0.57303 (7)	0.0304 (5)
H70A	0.1539	0.1206	0.5719	0.037*
H70B	0.0722	0.1538	0.5562	0.037*
V1B	0.86312 (3)	0.391856 (10)	0.116327 (10)	0.02069 (8)
V2B	0.88283 (3)	0.316518 (10)	0.165294 (10)	0.02026 (8)
V3B	0.87580 (3)	0.252477 (10)	0.112692 (10)	0.01895 (8)
V4B	0.88835 (3)	0.289729 (10)	0.032246 (10)	0.01948 (8)
V5B	0.88223 (3)	0.375933 (10)	0.033795 (10)	0.02026 (8)
O1B	0.84304 (15)	0.43114 (4)	0.13339 (5)	0.0302 (4)
O2B	0.97117 (13)	0.35785 (4)	0.14276 (4)	0.0225 (3)
O3B	0.77421 (13)	0.35631 (4)	0.14761 (4)	0.0245 (3)
O4B	0.89700 (15)	0.31516 (5)	0.20888 (4)	0.0313 (4)
O5B	0.97958 (12)	0.27709 (4)	0.14444 (4)	0.0218 (3)
O6B	0.78241 (13)	0.27760 (4)	0.15025 (4)	0.0220 (3)
O7B	0.86003 (14)	0.20896 (4)	0.12160 (4)	0.0268 (3)
O8B	0.97619 (12)	0.25699 (4)	0.06893 (4)	0.0209 (3)
O9B	0.78380 (12)	0.27519 (4)	0.07175 (4)	0.0230 (3)
O10B	0.89211 (14)	0.26650 (4)	−0.00352 (4)	0.0280 (3)
O11B	0.98679 (12)	0.33232 (4)	0.03493 (4)	0.0217 (3)
O12B	0.79523 (13)	0.33453 (4)	0.01530 (4)	0.0224 (3)
O13B	0.88829 (14)	0.40638 (4)	0.00006 (4)	0.0288 (4)
O14B	0.96637 (13)	0.39871 (4)	0.07351 (4)	0.0222 (3)
O15B	0.77192 (13)	0.38525 (4)	0.07196 (4)	0.0249 (3)
C1B	1.08792 (19)	0.36317 (6)	0.14494 (6)	0.0250 (5)
H1B1	1.1194	0.3651	0.1197	0.03*
H1B2	1.1232	0.3412	0.1586	0.03*
C2B	1.1138 (2)	0.39824 (6)	0.16432 (7)	0.0289 (5)
H2B	1.0749	0.42	0.1509	0.035*
C3B	1.2383 (2)	0.40481 (8)	0.16272 (10)	0.0433 (7)
H3B1	1.2617	0.4089	0.1366	0.052*
H3B2	1.2786	0.3824	0.1736	0.052*
C4B	1.2678 (3)	0.43896 (8)	0.18398 (13)	0.0663 (12)
H4B1	1.349	0.4416	0.184	0.08*
H4B2	1.2345	0.4618	0.1713	0.08*
C5B	1.2265 (3)	0.43506 (10)	0.22349 (13)	0.0682 (12)
H5B1	1.2645	0.4134	0.2368	0.082*
H5B2	1.2443	0.4577	0.2361	0.082*
C6B	1.1033 (3)	0.42970 (9)	0.22472 (10)	0.0556 (9)
H6B1	1.0649	0.4522	0.2132	0.067*
H6B2	1.0787	0.4263	0.2507	0.067*
C7B	1.0730 (2)	0.39558 (7)	0.20419 (7)	0.0360 (6)
H7B1	1.1057	0.3728	0.2173	0.043*
H7B2	0.9917	0.3932	0.2044	0.043*
C8B	0.6628 (2)	0.36315 (7)	0.15910 (7)	0.0286 (5)
H8B1	0.6173	0.3419	0.1529	0.034*
H8B2	0.633	0.3859	0.1452	0.034*
C9B	0.6528 (2)	0.36817 (7)	0.19994 (7)	0.0314 (5)
H9B	0.6834	0.3453	0.214	0.038*
C10B	0.5299 (2)	0.37354 (8)	0.20995 (8)	0.0399 (6)
H10C	0.4979	0.3951	0.1947	0.048*
H10D	0.4895	0.351	0.2043	0.048*
C11B	0.5156 (2)	0.38028 (9)	0.25028 (8)	0.0450 (7)
H11C	0.5406	0.3577	0.2655	0.054*
H11D	0.4363	0.3849	0.2556	0.054*
C12B	0.5818 (3)	0.41374 (9)	0.26077 (9)	0.0476 (7)
H12C	0.5506	0.4369	0.2479	0.057*
H12D	0.5755	0.4163	0.2877	0.057*
C13B	0.7027 (3)	0.40905 (9)	0.25037 (8)	0.0441 (7)
H13C	0.7422	0.4319	0.2557	0.053*
H13D	0.7362	0.3878	0.2657	0.053*
C14B	0.7172 (2)	0.40206 (8)	0.21019 (8)	0.0401 (6)
H14C	0.7967	0.3978	0.2049	0.048*
H14D	0.6912	0.4244	0.1948	0.048*
C15B	1.09362 (18)	0.26803 (6)	0.15128 (6)	0.0234 (4)
H15C	1.1183	0.2812	0.1728	0.028*
H15D	1.1377	0.2771	0.1296	0.028*
C16B	1.1158 (2)	0.22629 (6)	0.15879 (6)	0.0254 (5)
H16B	1.0921	0.2136	0.1365	0.031*
C17B	1.2403 (2)	0.21876 (7)	0.16400 (8)	0.0362 (6)
H17C	1.2801	0.2286	0.1417	0.043*
H17D	1.2663	0.232	0.1853	0.043*
C18B	1.2670 (3)	0.17701 (9)	0.17074 (9)	0.0490 (8)
H18C	1.2481	0.164	0.1484	0.059*
H18D	1.3472	0.1731	0.1753	0.059*
C19B	1.2029 (3)	0.16046 (9)	0.20356 (9)	0.0553 (9)
H19C	1.2283	0.1713	0.2263	0.066*
H19D	1.2178	0.1332	0.2063	0.066*
C20B	1.0790 (3)	0.16793 (8)	0.19909 (8)	0.0475 (7)
H20C	1.0405	0.1582	0.2217	0.057*
H20D	1.0519	0.1544	0.1781	0.057*
C21B	1.0514 (2)	0.20970 (7)	0.19214 (7)	0.0334 (6)
H21C	1.0702	0.2229	0.2143	0.04*
H21D	0.9711	0.2134	0.1876	0.04*
C22B	0.68169 (19)	0.26545 (7)	0.16741 (6)	0.0263 (5)
H22C	0.6276	0.2608	0.1479	0.032*
H22D	0.6508	0.2857	0.1819	0.032*
C23B	0.6963 (2)	0.23012 (6)	0.19280 (7)	0.0278 (5)
H23B	0.7392	0.2113	0.1791	0.033*
C24B	0.5829 (3)	0.21432 (9)	0.20217 (8)	0.0453 (7)
H24C	0.5463	0.208	0.1791	0.054*
H24D	0.5365	0.2336	0.2135	0.054*
C25B	0.5911 (3)	0.17933 (9)	0.22879 (9)	0.0530 (8)
H25C	0.5157	0.1716	0.236	0.064*
H25D	0.6271	0.1587	0.216	0.064*
C26B	0.6566 (3)	0.18603 (9)	0.26326 (8)	0.0478 (7)
H26C	0.6652	0.1623	0.2787	0.057*
H26D	0.6157	0.2042	0.2779	0.057*
C27B	0.7703 (3)	0.20094 (8)	0.25318 (8)	0.0425 (7)
H27C	0.8138	0.1818	0.2405	0.051*
H27D	0.8103	0.2061	0.276	0.051*
C28B	0.7597 (2)	0.23681 (7)	0.22788 (7)	0.0331 (5)
H28C	0.7207	0.2564	0.2412	0.04*
H28D	0.8343	0.2457	0.2212	0.04*
C29B	1.07119 (19)	0.23449 (6)	0.05958 (6)	0.0238 (4)
H29C	1.1303	0.2377	0.0778	0.029*
H29D	1.0988	0.2438	0.035	0.029*
C30B	1.0486 (2)	0.19298 (6)	0.05866 (7)	0.0286 (5)
H30B	1.0155	0.1841	0.0829	0.034*
C31B	1.1571 (2)	0.17135 (8)	0.05347 (9)	0.0440 (7)
H31C	1.2069	0.1752	0.0744	0.053*
H31D	1.1935	0.1813	0.0305	0.053*
C32B	1.1402 (3)	0.12940 (9)	0.05116 (11)	0.0590 (9)
H32C	1.2123	0.1166	0.0472	0.071*
H32D	1.1091	0.1189	0.0748	0.071*
C33B	1.0627 (3)	0.12238 (9)	0.01990 (11)	0.0600 (9)
H33C	1.0498	0.0953	0.0196	0.072*
H33D	1.0965	0.1309	−0.004	0.072*
C34B	0.9537 (3)	0.14332 (8)	0.02500 (11)	0.0566 (9)
H34C	0.9171	0.1329	0.0477	0.068*
H34D	0.9048	0.1395	0.0038	0.068*
C35B	0.9687 (3)	0.18510 (8)	0.02791 (9)	0.0469 (8)
H35C	0.997	0.1962	0.0041	0.056*
H35D	0.8961	0.1972	0.0327	0.056*
C36B	0.66630 (18)	0.28022 (7)	0.07235 (6)	0.0256 (5)
H36C	0.6423	0.296	0.0503	0.031*
H36D	0.6442	0.2933	0.0945	0.031*
C37B	0.6095 (2)	0.24294 (7)	0.07288 (7)	0.0301 (5)
H37B	0.6392	0.2267	0.0942	0.036*
C38B	0.4856 (2)	0.24856 (9)	0.07850 (9)	0.0462 (7)
H38C	0.4554	0.2658	0.0584	0.055*
H38D	0.4721	0.2601	0.1022	0.055*
C39B	0.4260 (3)	0.21169 (12)	0.07891 (12)	0.0748 (13)
H39C	0.3454	0.2164	0.0814	0.09*
H39D	0.4508	0.1953	0.1005	0.09*
C40B	0.4495 (3)	0.19195 (13)	0.04328 (13)	0.0815 (15)
H40C	0.4133	0.1675	0.0447	0.098*
H40D	0.4182	0.2072	0.0219	0.098*
C41B	0.5729 (3)	0.18616 (11)	0.03788 (11)	0.0603 (10)
H41C	0.5867	0.1746	0.0142	0.072*
H41D	0.6028	0.1689	0.0581	0.072*
C42B	0.6324 (2)	0.22313 (9)	0.03752 (8)	0.0413 (6)
H42C	0.6074	0.2395	0.0159	0.05*
H42D	0.7129	0.2184	0.035	0.05*
C43B	1.10293 (18)	0.33075 (6)	0.04270 (6)	0.0249 (5)
H43C	1.1195	0.3096	0.0609	0.03*
H43D	1.1238	0.3541	0.0537	0.03*
C44B	1.1708 (2)	0.32599 (7)	0.00813 (7)	0.0297 (5)
H44B	1.1425	0.304	−0.0042	0.036*
C45B	1.2918 (2)	0.31760 (9)	0.01839 (10)	0.0481 (7)
H45C	1.2969	0.2941	0.0343	0.058*
H45D	1.3191	0.3379	0.0328	0.058*
C46B	1.3655 (3)	0.31386 (11)	−0.01556 (12)	0.0639 (10)
H46C	1.4436	0.311	−0.0076	0.077*
H46D	1.3461	0.291	−0.0277	0.077*
C47B	1.3531 (3)	0.34746 (11)	−0.04313 (12)	0.0665 (10)
H47C	1.3829	0.3697	−0.0323	0.08*
H47D	1.3966	0.3428	−0.0656	0.08*
C48B	1.2330 (3)	0.35514 (10)	−0.05358 (9)	0.0538 (8)
H48C	1.2055	0.3341	−0.067	0.065*
H48D	1.2271	0.3781	−0.0703	0.065*
C49B	1.1615 (2)	0.36010 (8)	−0.01939 (8)	0.0371 (6)
H49C	1.0834	0.3642	−0.027	0.045*
H49D	1.1849	0.3825	−0.0072	0.045*
C50B	0.71601 (19)	0.33504 (7)	−0.01410 (6)	0.0263 (5)
H50C	0.6475	0.3479	−0.0062	0.032*
H50D	0.6975	0.309	−0.0184	0.032*
C51B	0.7548 (2)	0.35410 (7)	−0.05028 (7)	0.0303 (5)
H51B	0.7713	0.3806	−0.0458	0.036*
C52B	0.6609 (2)	0.35469 (8)	−0.07856 (7)	0.0382 (6)
H52C	0.5959	0.3684	−0.0691	0.046*
H52D	0.639	0.3288	−0.082	0.046*
C53B	0.6960 (3)	0.37340 (9)	−0.11596 (8)	0.0476 (7)
H53C	0.635	0.3722	−0.1339	0.057*
H53D	0.7107	0.4	−0.1131	0.057*
C54B	0.7982 (3)	0.35443 (9)	−0.13058 (7)	0.0454 (7)
H54C	0.8207	0.3676	−0.1541	0.055*
H54D	0.7815	0.3284	−0.1356	0.055*
C55B	0.8936 (3)	0.35425 (8)	−0.10285 (7)	0.0389 (6)
H55C	0.9582	0.3404	−0.1124	0.047*
H55D	0.9157	0.3802	−0.0998	0.047*
C56B	0.8592 (2)	0.33595 (7)	−0.06534 (7)	0.0324 (5)
H56C	0.8466	0.3091	−0.0679	0.039*
H56D	0.9202	0.3378	−0.0475	0.039*
C57B	1.05012 (19)	0.42582 (6)	0.06596 (6)	0.0251 (5)
H57C	1.0705	0.426	0.0395	0.03*
H57D	1.1168	0.4182	0.0806	0.03*
C58B	1.0142 (2)	0.46514 (6)	0.07487 (6)	0.0272 (5)
H58B	1.0011	0.465	0.1021	0.033*
C59B	1.1066 (2)	0.49241 (7)	0.06509 (7)	0.0344 (6)
H59C	1.1233	0.4923	0.0384	0.041*
H59D	1.1744	0.4842	0.0789	0.041*
C60B	1.0730 (3)	0.53222 (7)	0.07461 (8)	0.0449 (7)
H60C	1.0669	0.533	0.1018	0.054*
H60D	1.1314	0.5496	0.066	0.054*
C61B	0.9640 (3)	0.54518 (7)	0.05710 (8)	0.0458 (7)
H61C	0.9733	0.5482	0.0299	0.055*
H61D	0.9422	0.5698	0.0659	0.055*
C62B	0.8730 (3)	0.51772 (7)	0.06636 (8)	0.0402 (6)
H62C	0.8046	0.5262	0.053	0.048*
H62D	0.8572	0.5169	0.0932	0.048*
C63B	0.9073 (2)	0.47859 (7)	0.05543 (7)	0.0302 (5)
H63C	0.8479	0.461	0.0622	0.036*
H63D	0.9182	0.4791	0.0283	0.036*
C64B	0.6545 (2)	0.38166 (8)	0.06920 (7)	0.0359 (6)
H64C	0.6268	0.3649	0.0898	0.043*
H64D	0.6351	0.3712	0.0456	0.043*
C65B	0.6014 (4)	0.42341 (16)	0.07123 (16)	0.0315 (13)	0.6
H65B	0.6397	0.4353	0.0916	0.038*	0.6
C66B	0.4773 (4)	0.42155 (18)	0.08148 (17)	0.0495 (14)	0.6
H66C	0.4679	0.4032	0.1028	0.059*	0.6
H66D	0.451	0.4463	0.089	0.059*	0.6
C67B	0.4073 (4)	0.41042 (18)	0.0493 (2)	0.0629 (17)	0.6
H67C	0.4294	0.3848	0.0431	0.076*	0.6
H67D	0.3286	0.4103	0.0567	0.076*	0.6
C68B	0.4207 (4)	0.4369 (2)	0.01557 (18)	0.0617 (18)	0.6
H68C	0.3931	0.4622	0.021	0.074*	0.6
H68D	0.3764	0.4284	−0.005	0.074*	0.6
C69B	0.5427 (4)	0.43859 (15)	0.00413 (15)	0.0518 (13)	0.6
H69C	0.5675	0.414	−0.0042	0.062*	0.6
H69D	0.5508	0.4574	−0.0169	0.062*	0.6
C70B	0.6156 (4)	0.44881 (14)	0.03602 (14)	0.0384 (11)	0.6
H70C	0.5979	0.4749	0.0416	0.046*	0.6
H70D	0.6939	0.4475	0.0281	0.046*	0.6
C65E	0.5849 (6)	0.4123 (2)	0.0627 (2)	0.031 (2)	0.4
H65E	0.6046	0.4306	0.081	0.037*	0.4
C66E	0.4625 (5)	0.4038 (2)	0.0689 (2)	0.0396 (16)	0.4
H66I	0.4407	0.3842	0.0525	0.048*	0.4
H66J	0.4514	0.3941	0.0948	0.048*	0.4
C67E	0.3901 (6)	0.4384 (2)	0.0610 (3)	0.054 (2)	0.4
H67I	0.4054	0.4567	0.0795	0.065*	0.4
H67J	0.3116	0.4317	0.0635	0.065*	0.4
C68E	0.4094 (6)	0.4566 (3)	0.0225 (3)	0.055 (2)	0.4
H68I	0.3639	0.48	0.0191	0.066*	0.4
H68J	0.386	0.4396	0.0038	0.066*	0.4
C69E	0.5319 (6)	0.46560 (18)	0.0166 (2)	0.0446 (17)	0.4
H69I	0.543	0.4759	−0.0091	0.054*	0.4
H69J	0.5526	0.4849	0.0334	0.054*	0.4
C70E	0.6061 (5)	0.4314 (2)	0.02387 (19)	0.0331 (14)	0.4
H70I	0.6843	0.4388	0.022	0.04*	0.4
H70J	0.5928	0.4135	0.0049	0.04*	0.4
V1C	0.42271 (3)	0.611464 (10)	0.388461 (10)	0.02010 (8)
V2C	0.43474 (3)	0.528028 (10)	0.370774 (10)	0.01794 (7)
V3C	0.41742 (3)	0.526984 (10)	0.285532 (10)	0.01716 (7)
V4C	0.39358 (3)	0.608947 (10)	0.250495 (10)	0.01849 (7)
V5C	0.41790 (3)	0.661474 (10)	0.314206 (10)	0.02072 (8)
O1C	0.41629 (14)	0.62746 (5)	0.42837 (4)	0.0290 (4)
O2C	0.52542 (12)	0.56693 (4)	0.39190 (4)	0.0210 (3)
O3C	0.32842 (12)	0.56796 (4)	0.38265 (4)	0.0219 (3)
O4C	0.45108 (13)	0.49353 (4)	0.40023 (4)	0.0264 (3)
O5C	0.52693 (12)	0.52803 (4)	0.32563 (4)	0.0200 (3)
O6C	0.33507 (12)	0.51112 (4)	0.33140 (4)	0.0192 (3)
O7C	0.41662 (14)	0.49083 (4)	0.26250 (4)	0.0260 (3)
O8C	0.49710 (12)	0.56435 (4)	0.25257 (4)	0.0201 (3)
O9C	0.30773 (12)	0.56701 (4)	0.27252 (4)	0.0209 (3)
O10C	0.36621 (13)	0.61933 (4)	0.20813 (4)	0.0259 (3)
O11C	0.50221 (13)	0.64114 (4)	0.27204 (4)	0.0226 (3)
O12C	0.30549 (13)	0.64530 (4)	0.27961 (4)	0.0229 (3)
O13C	0.43033 (15)	0.70544 (4)	0.31195 (5)	0.0308 (4)
O14C	0.51979 (12)	0.63763 (4)	0.35167 (4)	0.0226 (3)
O15C	0.32444 (13)	0.64569 (4)	0.35741 (4)	0.0241 (3)
C1C	0.62336 (18)	0.55874 (6)	0.41350 (6)	0.0237 (5)
H1C1	0.6863	0.5714	0.401	0.028*
H1C2	0.6394	0.5315	0.4143	0.028*
C2C	0.61540 (18)	0.57068 (6)	0.45279 (6)	0.0220 (4)
H2C	0.5969	0.5981	0.4516	0.026*
C3C	0.72822 (19)	0.56446 (7)	0.47147 (6)	0.0256 (5)
H3C1	0.7492	0.5375	0.4725	0.031*
H3C2	0.7848	0.5783	0.4568	0.031*
C4C	0.7250 (2)	0.57775 (7)	0.51057 (7)	0.0318 (5)
H4C1	0.7973	0.572	0.5227	0.038*
H4C2	0.7123	0.6052	0.5093	0.038*
C5C	0.6342 (2)	0.55900 (8)	0.53349 (7)	0.0364 (6)
H5C1	0.6301	0.5698	0.5579	0.044*
H5C2	0.6527	0.532	0.5377	0.044*
C6C	0.5220 (2)	0.56399 (7)	0.51447 (7)	0.0325 (5)
H6C1	0.4662	0.5498	0.5292	0.039*
H6C2	0.499	0.5907	0.5132	0.039*
C7C	0.5257 (2)	0.55048 (7)	0.47555 (6)	0.0267 (5)
H7C1	0.453	0.5554	0.4635	0.032*
H7C2	0.5415	0.5232	0.4768	0.032*
C8C	0.21033 (18)	0.56667 (7)	0.37939 (6)	0.0251 (5)
H8C1	0.1897	0.5425	0.37	0.03*
H8C2	0.1834	0.587	0.3616	0.03*
C9C	0.1625 (4)	0.53818 (15)	0.40815 (14)	0.0225 (12)	0.430 (4)
H9C	0.2198	0.5333	0.391	0.027*	0.430 (4)
C10C	0.0385 (5)	0.53453 (18)	0.40084 (16)	0.0291 (13)	0.430 (4)
H10E	0.002	0.5595	0.4012	0.035*	0.430 (4)
H10F	0.0287	0.5257	0.3758	0.035*	0.430 (4)
C11C	−0.018 (2)	0.5080 (9)	0.4287 (5)	0.032 (3)	0.430 (4)
H11E	0.0121	0.4822	0.4269	0.039*	0.430 (4)
H11F	−0.0984	0.508	0.4237	0.039*	0.430 (4)
C12C	0.0036 (5)	0.5214 (2)	0.46862 (17)	0.0373 (15)	0.430 (4)
H12E	−0.0345	0.5459	0.471	0.045*	0.430 (4)
H12F	−0.0278	0.5033	0.4873	0.045*	0.430 (4)
C13C	0.1273 (5)	0.52507 (18)	0.47605 (16)	0.0313 (13)	0.430 (4)
H13E	0.1375	0.5351	0.5006	0.038*	0.430 (4)
H13F	0.1642	0.5001	0.4765	0.038*	0.430 (4)
C14C	0.1800 (9)	0.5507 (3)	0.4467 (3)	0.0259 (19)	0.430 (4)
H14E	0.2603	0.5516	0.4515	0.031*	0.430 (4)
H14F	0.1483	0.5763	0.4481	0.031*	0.430 (4)
C9E	0.1557 (3)	0.57111 (12)	0.41801 (12)	0.0265 (10)	0.570 (4)
H9E	0.189	0.593	0.4291	0.032*	0.570 (4)
C10E	0.0308 (4)	0.57919 (13)	0.41325 (13)	0.0331 (10)	0.570 (4)
H10G	−0.0007	0.5867	0.4369	0.04*	0.570 (4)
H10H	0.019	0.6003	0.3945	0.04*	0.570 (4)
C13E	0.1138 (4)	0.50256 (14)	0.43370 (15)	0.0416 (12)	0.570 (4)
H13G	0.1249	0.4818	0.4528	0.05*	0.570 (4)
H13H	0.1421	0.4942	0.4099	0.05*	0.570 (4)
C12E	−0.0089 (17)	0.5128 (7)	0.4302 (6)	0.047 (5)	0.570 (4)
H12G	−0.0376	0.5199	0.4545	0.057*	0.570 (4)
H12H	−0.0496	0.4909	0.4231	0.057*	0.570 (4)
C11E	−0.0291 (4)	0.54534 (15)	0.40129 (15)	0.0401 (12)	0.570 (4)
H11G	−0.0012	0.5385	0.3769	0.048*	0.570 (4)
H11H	−0.1093	0.5512	0.3991	0.048*	0.570 (4)
C14E	0.1768 (8)	0.5364 (2)	0.4443 (3)	0.037 (2)	0.570 (4)
H14G	0.2569	0.5301	0.4445	0.044*	0.570 (4)
H14H	0.1551	0.5423	0.4696	0.044*	0.570 (4)
C15C	0.64318 (17)	0.53401 (6)	0.32209 (6)	0.0235 (4)
H15E	0.6693	0.5463	0.344	0.028*
H15F	0.6567	0.551	0.3	0.028*
C16C	0.70856 (19)	0.49764 (7)	0.31870 (7)	0.0288 (5)
H16C	0.6783	0.4849	0.2974	0.035*
C17C	0.8292 (2)	0.50662 (10)	0.31036 (10)	0.0503 (8)
H17E	0.8577	0.5218	0.3299	0.06*
H17F	0.8334	0.5217	0.2865	0.06*
C18C	0.9021 (2)	0.47112 (12)	0.30837 (13)	0.0694 (12)
H18E	0.8814	0.4581	0.2863	0.083*
H18F	0.9803	0.4782	0.3056	0.083*
C19C	0.8907 (3)	0.44457 (11)	0.34244 (13)	0.0713 (13)
H19E	0.9333	0.4212	0.3388	0.086*
H19F	0.9221	0.456	0.364	0.086*
C20C	0.7708 (3)	0.43553 (9)	0.35016 (10)	0.0522 (8)
H20E	0.7659	0.4196	0.3734	0.063*
H20F	0.7419	0.4214	0.3299	0.063*
C21C	0.7002 (2)	0.47113 (8)	0.35344 (8)	0.0375 (6)
H21E	0.7248	0.4841	0.3751	0.045*
H21F	0.6221	0.4644	0.3575	0.045*
C22C	0.25117 (17)	0.48350 (6)	0.33249 (6)	0.0208 (4)
H22E	0.2312	0.4786	0.3069	0.025*
H22F	0.1843	0.4936	0.3445	0.025*
C23C	0.28641 (18)	0.44683 (6)	0.35309 (6)	0.0228 (4)
H23C	0.3067	0.4521	0.3789	0.027*
C24C	0.1892 (2)	0.42028 (7)	0.35503 (7)	0.0335 (6)
H24E	0.127	0.4318	0.3684	0.04*
H24F	0.164	0.4164	0.3297	0.04*
C25C	0.2206 (3)	0.38248 (8)	0.37462 (8)	0.0432 (7)
H25E	0.2366	0.3858	0.4009	0.052*
H25F	0.1577	0.3655	0.3736	0.052*
C26C	0.3214 (3)	0.36512 (7)	0.35663 (9)	0.0497 (8)
H26E	0.3426	0.3414	0.3706	0.06*
H26F	0.3026	0.3593	0.3311	0.06*
C27C	0.4182 (2)	0.39103 (8)	0.35550 (8)	0.0411 (6)
H27E	0.4813	0.3794	0.3426	0.049*
H27F	0.4417	0.3951	0.381	0.049*
C28C	0.3862 (2)	0.42869 (7)	0.33531 (7)	0.0286 (5)
H28E	0.4494	0.4456	0.3357	0.034*
H28F	0.3692	0.4248	0.3092	0.034*
C29C	0.58903 (18)	0.55544 (6)	0.22939 (6)	0.0227 (4)
H29E	0.6193	0.5303	0.2376	0.027*
H29F	0.6478	0.5736	0.2325	0.027*
C30C	0.55876 (19)	0.55589 (7)	0.18843 (6)	0.0262 (5)
H30C	0.5139	0.5792	0.182	0.031*
C31C	0.6627 (2)	0.55712 (7)	0.16455 (7)	0.0328 (5)
H31E	0.7093	0.5345	0.1707	0.039*
H31F	0.7058	0.5792	0.1699	0.039*
C32C	0.6334 (3)	0.55924 (8)	0.12346 (7)	0.0413 (6)
H32E	0.5916	0.5829	0.1169	0.05*
H32F	0.7021	0.5592	0.1086	0.05*
C33C	0.5641 (3)	0.52628 (9)	0.11441 (8)	0.0498 (8)
H33E	0.6086	0.5028	0.1186	0.06*
H33F	0.5428	0.5289	0.088	0.06*
C34C	0.4603 (3)	0.52418 (10)	0.13829 (8)	0.0479 (7)
H34E	0.4193	0.5016	0.133	0.057*
H34F	0.4118	0.5463	0.132	0.057*
C35C	0.4894 (2)	0.52261 (8)	0.17955 (7)	0.0367 (6)
H35E	0.4205	0.5228	0.1943	0.044*
H35F	0.5311	0.4991	0.1864	0.044*
C36C	0.19039 (18)	0.56716 (6)	0.27743 (6)	0.0243 (5)
H36E	0.1676	0.5881	0.2924	0.029*
H36F	0.169	0.5436	0.291	0.029*
C37C	0.13082 (19)	0.57122 (7)	0.24044 (7)	0.0272 (5)
H37C	0.154	0.595	0.227	0.033*
C38C	0.0061 (2)	0.57367 (8)	0.24652 (8)	0.0381 (6)
H38E	−0.0126	0.596	0.2601	0.046*
H38F	−0.0172	0.5514	0.2619	0.046*
C39C	−0.0570 (2)	0.57597 (10)	0.20993 (10)	0.0513 (8)
H39E	−0.1374	0.5756	0.215	0.062*
H39F	−0.041	0.5999	0.196	0.062*
C40C	−0.0254 (3)	0.54380 (10)	0.18652 (10)	0.0548 (9)
H40E	−0.0493	0.52	0.1991	0.066*
H40F	−0.0639	0.5472	0.1624	0.066*
C41C	0.0986 (2)	0.54192 (9)	0.18018 (9)	0.0473 (7)
H41E	0.1211	0.5645	0.1652	0.057*
H41F	0.1178	0.5199	0.1662	0.057*
C42C	0.1614 (2)	0.53915 (8)	0.21679 (8)	0.0378 (6)
H42E	0.1446	0.5152	0.2306	0.045*
H42F	0.2418	0.5392	0.2117	0.045*
C43C	0.61441 (19)	0.64755 (7)	0.26144 (6)	0.0265 (5)
H43E	0.6606	0.6254	0.2698	0.032*
H43F	0.6411	0.6691	0.2741	0.032*
C44C	0.6293 (2)	0.65519 (7)	0.21983 (7)	0.0283 (5)
H44C	0.607	0.6325	0.2074	0.034*
C45C	0.7519 (2)	0.66137 (8)	0.21182 (8)	0.0406 (6)
H45E	0.7762	0.6832	0.2247	0.049*
H45F	0.7957	0.6392	0.2215	0.049*
C46C	0.7735 (3)	0.66810 (9)	0.17054 (9)	0.0535 (8)
H46E	0.8524	0.6737	0.1664	0.064*
H46F	0.7577	0.6452	0.158	0.064*
C47C	0.7017 (3)	0.70046 (9)	0.15396 (9)	0.0604 (10)
H47E	0.7252	0.724	0.164	0.072*
H47F	0.7126	0.7028	0.1269	0.072*
C48C	0.5800 (3)	0.69507 (9)	0.16236 (8)	0.0510 (8)
H48E	0.5541	0.6734	0.1496	0.061*
H48F	0.5371	0.7175	0.1527	0.061*
C49C	0.5593 (2)	0.68856 (7)	0.20381 (7)	0.0360 (6)
H49E	0.48	0.6838	0.2083	0.043*
H49F	0.5781	0.7112	0.2164	0.043*
C50C	0.20063 (19)	0.66366 (7)	0.27250 (7)	0.0274 (5)
H50E	0.1829	0.6799	0.2928	0.033*
H50F	0.143	0.6446	0.2722	0.033*
C51C	0.1979 (2)	0.68714 (7)	0.23609 (7)	0.0292 (5)
H51C	0.2214	0.6709	0.216	0.035*
C52C	0.0793 (2)	0.70147 (8)	0.22824 (8)	0.0369 (6)
H52E	0.0303	0.6799	0.2269	0.044*
H52F	0.0532	0.7163	0.2488	0.044*
C53C	0.0719 (2)	0.72563 (8)	0.19209 (8)	0.0445 (7)
H53E	−0.004	0.7364	0.1893	0.053*
H53F	0.0861	0.7097	0.1712	0.053*
C54C	0.1541 (3)	0.75726 (8)	0.19033 (8)	0.0460 (7)
H54E	0.1521	0.7702	0.1654	0.055*
H54F	0.1321	0.7756	0.2084	0.055*
C55C	0.2715 (3)	0.74276 (8)	0.19874 (8)	0.0422 (6)
H55E	0.3216	0.7641	0.1994	0.051*
H55F	0.2973	0.7269	0.179	0.051*
C56C	0.2752 (2)	0.72003 (7)	0.23591 (7)	0.0333 (5)
H56E	0.3517	0.7106	0.2409	0.04*
H56F	0.2532	0.7363	0.2558	0.04*
C57C	0.63764 (18)	0.63943 (7)	0.35372 (6)	0.0251 (5)
H57E	0.6655	0.6542	0.3318	0.03*
H57F	0.6707	0.6139	0.3536	0.03*
C58C	0.67252 (19)	0.65726 (7)	0.38846 (6)	0.0269 (5)
H58C	0.6344	0.644	0.4098	0.032*
C59C	0.7973 (2)	0.65228 (8)	0.39479 (7)	0.0352 (6)
H59E	0.818	0.6254	0.3963	0.042*
H59F	0.8375	0.6646	0.3737	0.042*
C60C	0.8302 (3)	0.66923 (10)	0.43050 (8)	0.0508 (8)
H60E	0.7948	0.6554	0.4517	0.061*
H60F	0.9113	0.6667	0.4337	0.061*
C61C	0.7955 (3)	0.70995 (11)	0.42993 (10)	0.0623 (10)
H61E	0.8364	0.7241	0.4101	0.075*
H61F	0.8148	0.7199	0.4538	0.075*
C62C	0.6714 (3)	0.71540 (9)	0.42327 (9)	0.0520 (8)
H62E	0.6305	0.7035	0.4444	0.062*
H62F	0.6519	0.7424	0.4216	0.062*
C63C	0.6372 (2)	0.69838 (7)	0.38775 (7)	0.0338 (6)
H63E	0.5559	0.7008	0.3849	0.041*
H63F	0.6717	0.7121	0.3663	0.041*
C64C	0.21760 (19)	0.65896 (7)	0.36896 (7)	0.0282 (5)
H64E	0.1961	0.6444	0.3919	0.034*
H64F	0.1628	0.6543	0.3497	0.034*
C65C	0.2131 (2)	0.70005 (7)	0.37592 (7)	0.0304 (5)
H65C	0.2322	0.7148	0.3525	0.036*
C66C	0.0950 (2)	0.71072 (8)	0.38697 (9)	0.0434 (7)
H66E	0.0729	0.6945	0.4087	0.052*
H66F	0.0443	0.7063	0.3664	0.052*
C67C	0.0830 (3)	0.75164 (8)	0.39619 (10)	0.0487 (8)
H67E	0.0946	0.768	0.3735	0.058*
H67F	0.0071	0.7566	0.4052	0.058*
C68C	0.1653 (3)	0.76091 (9)	0.42532 (9)	0.0594 (10)
H68E	0.1601	0.788	0.4288	0.071*
H68F	0.1465	0.7474	0.4491	0.071*
C69C	0.2826 (3)	0.75048 (9)	0.41479 (10)	0.0571 (9)
H69E	0.3328	0.7551	0.4354	0.069*
H69F	0.3051	0.7665	0.3929	0.069*
C70C	0.2937 (3)	0.70939 (8)	0.40600 (8)	0.0465 (7)
H70E	0.3703	0.704	0.3978	0.056*
H70F	0.2796	0.6933	0.4287	0.056*
V1D	0.62899 (3)	0.887615 (10)	0.239296 (11)	0.02354 (8)
V2D	0.60986 (4)	0.837530 (11)	0.173487 (12)	0.02739 (9)
V3D	0.61692 (4)	0.890001 (12)	0.101251 (12)	0.03301 (10)
V4D	0.60583 (4)	0.972551 (12)	0.122272 (13)	0.03515 (10)
V5D	0.61766 (3)	0.971013 (10)	0.207685 (12)	0.02524 (9)
O1D	0.64266 (14)	0.87416 (5)	0.28171 (5)	0.0311 (4)
O2D	0.71750 (14)	0.85059 (4)	0.21140 (5)	0.0266 (3)
O3D	0.52034 (14)	0.85951 (5)	0.21320 (5)	0.0297 (4)
O4D	0.59815 (16)	0.79349 (5)	0.17550 (5)	0.0367 (4)
O5D	0.71081 (15)	0.85528 (5)	0.13314 (5)	0.0316 (4)
O6D	0.51428 (15)	0.86092 (5)	0.13341 (5)	0.0321 (4)
O7D	0.62985 (19)	0.87591 (6)	0.06081 (5)	0.0455 (5)
O8D	0.71142 (16)	0.93299 (5)	0.10975 (5)	0.0357 (4)
O9D	0.51488 (17)	0.93480 (5)	0.09933 (6)	0.0435 (5)
O10D	0.5962 (2)	1.00747 (6)	0.09320 (6)	0.0561 (6)
O11D	0.70461 (14)	0.98755 (4)	0.16304 (5)	0.0284 (4)
O12D	0.51123 (15)	0.97318 (5)	0.16638 (5)	0.0355 (4)
O13D	0.62076 (15)	1.00581 (5)	0.23265 (5)	0.0318 (4)
O14D	0.72255 (13)	0.92923 (4)	0.22049 (5)	0.0257 (3)
O15D	0.52983 (13)	0.93352 (4)	0.23748 (5)	0.0270 (3)
C1D	0.8173 (2)	0.82979 (7)	0.22060 (7)	0.0316 (5)
H1D1	0.8786	0.8474	0.2216	0.038*
H1D2	0.8344	0.8129	0.2007	0.038*
C2D	0.8118 (2)	0.80668 (7)	0.25707 (7)	0.0297 (5)
H2D	0.7888	0.8236	0.2767	0.036*
C3D	0.9272 (2)	0.79037 (7)	0.26680 (8)	0.0362 (6)
H3D1	0.9539	0.7752	0.2466	0.043*
H3D2	0.9788	0.8111	0.2689	0.043*
C4D	0.9275 (3)	0.76605 (8)	0.30292 (8)	0.0433 (7)
H4D1	0.9113	0.7819	0.3237	0.052*
H4D2	1.0019	0.7544	0.307	0.052*
C5D	0.8420 (3)	0.73554 (8)	0.30249 (8)	0.0428 (7)
H5D1	0.8398	0.7217	0.327	0.051*
H5D2	0.864	0.7176	0.284	0.051*
C6D	0.7270 (2)	0.75202 (8)	0.29299 (8)	0.0401 (6)
H6D1	0.6745	0.7315	0.2911	0.048*
H6D2	0.701	0.7676	0.313	0.048*
C7D	0.7291 (2)	0.77574 (7)	0.25660 (7)	0.0340 (6)
H7D1	0.7482	0.7596	0.2363	0.041*
H7D2	0.6545	0.7869	0.2516	0.041*
C8D	0.4029 (2)	0.85957 (8)	0.21907 (8)	0.0369 (6)
H8D1	0.3702	0.8407	0.2039	0.044*
H8D2	0.3711	0.8844	0.2105	0.044*
C9D	0.3710 (2)	0.85116 (7)	0.25915 (8)	0.0357 (6)
H9D	0.4052	0.8702	0.2741	0.043*
C10D	0.2453 (2)	0.85507 (9)	0.26315 (9)	0.0474 (7)
H10I	0.221	0.8808	0.2546	0.057*
H10J	0.2096	0.8375	0.2473	0.057*
C11D	0.2087 (3)	0.84698 (9)	0.30301 (10)	0.0518 (8)
H11I	0.2367	0.8664	0.3184	0.062*
H11J	0.127	0.8479	0.3043	0.062*
C12D	0.2515 (3)	0.80878 (10)	0.31825 (12)	0.0674 (11)
H12I	0.2161	0.7892	0.3048	0.081*
H12J	0.2309	0.8051	0.3447	0.081*
C13D	0.3770 (3)	0.80482 (9)	0.31441 (11)	0.0634 (10)
H13I	0.4128	0.8226	0.33	0.076*
H13J	0.4015	0.7792	0.3232	0.076*
C14D	0.4128 (3)	0.81260 (8)	0.27425 (9)	0.0479 (7)
H14I	0.4944	0.8112	0.2726	0.057*
H14J	0.3831	0.7933	0.259	0.057*
C15D	0.8217 (2)	0.84326 (7)	0.12592 (7)	0.0350 (6)
H15G	0.8665	0.8452	0.1485	0.042*
H15H	0.8531	0.8602	0.1062	0.042*
C16D	0.8304 (2)	0.80374 (7)	0.11433 (7)	0.0356 (6)
H16D	0.7872	0.7874	0.1322	0.043*
C17D	0.9510 (3)	0.79023 (8)	0.11580 (9)	0.0443 (7)
H17G	0.9791	0.7911	0.1413	0.053*
H17H	0.9958	0.8071	0.0994	0.053*
C18D	0.9641 (3)	0.75034 (9)	0.10369 (9)	0.0482 (7)
H18G	1.0434	0.7427	0.104	0.058*
H18H	0.9247	0.7331	0.1213	0.058*
C19D	0.9183 (3)	0.74756 (9)	0.06532 (9)	0.0490 (7)
H19G	0.9233	0.7212	0.0588	0.059*
H19H	0.9636	0.7625	0.0474	0.059*
C20D	0.7989 (3)	0.76140 (8)	0.06253 (8)	0.0470 (7)
H20G	0.7519	0.744	0.0776	0.056*
H20H	0.7744	0.7614	0.0365	0.056*
C21D	0.7833 (3)	0.80048 (8)	0.07574 (8)	0.0425 (7)
H21G	0.7034	0.8072	0.0759	0.051*
H21H	0.82	0.8185	0.0582	0.051*
C22D	0.4000 (2)	0.85564 (8)	0.12620 (8)	0.0401 (6)
H22G	0.3631	0.8803	0.1204	0.048*
H22H	0.3649	0.8441	0.1487	0.048*
C23D	0.3828 (2)	0.83109 (8)	0.09444 (7)	0.0360 (6)
H23D	0.4192	0.8429	0.0719	0.043*
C24D	0.2584 (3)	0.82889 (10)	0.08669 (9)	0.0505 (8)
H24G	0.2202	0.8197	0.1096	0.061*
H24H	0.2283	0.8542	0.0794	0.061*
C25D	0.2354 (3)	0.80294 (11)	0.05609 (9)	0.0551 (9)
H25G	0.1546	0.8007	0.0533	0.066*
H25H	0.2651	0.8138	0.0324	0.066*
C26D	0.2880 (3)	0.76443 (10)	0.06471 (10)	0.0614 (10)
H26G	0.2523	0.7524	0.0869	0.074*
H26H	0.2754	0.7487	0.0438	0.074*
C27D	0.4114 (3)	0.76656 (9)	0.07151 (9)	0.0526 (8)
H27G	0.4484	0.7763	0.0486	0.063*
H27H	0.4423	0.7412	0.0783	0.063*
C28D	0.4338 (3)	0.79203 (7)	0.10245 (8)	0.0392 (6)
H28G	0.5146	0.7939	0.1056	0.047*
H28H	0.4031	0.7809	0.1259	0.047*
C29D	0.8285 (2)	0.93479 (8)	0.11119 (8)	0.0402 (6)
H29G	0.858	0.914	0.1279	0.048*
H29H	0.849	0.9585	0.1215	0.048*
C30D	0.8809 (3)	0.93244 (9)	0.07286 (8)	0.0474 (7)
H30D	0.8524	0.9097	0.062	0.057*
C31D	1.0055 (3)	0.92753 (12)	0.07616 (11)	0.0641 (10)
H31G	1.0364	0.9198	0.0525	0.077*
H31H	1.0236	0.9075	0.0955	0.077*
C32D	1.0586 (4)	0.96410 (15)	0.08604 (13)	0.0859 (15)
H32G	1.0343	0.9702	0.1111	0.103*
H32H	1.14	0.9606	0.0864	0.103*
C33D	1.0267 (5)	0.99607 (14)	0.05850 (14)	0.0950 (17)
H33G	1.06	1.0193	0.0661	0.114*
H33H	1.057	0.9909	0.0339	0.114*
C34D	0.9033 (4)	1.00193 (11)	0.05559 (12)	0.0809 (13)
H34G	0.8859	1.0219	0.0361	0.097*
H34H	0.8737	1.01	0.0793	0.097*
C35D	0.8491 (4)	0.96633 (9)	0.04636 (10)	0.0603 (9)
H35G	0.87	0.9607	0.0209	0.072*
H35H	0.7678	0.9703	0.047	0.072*
C36D	0.4166 (3)	0.94365 (10)	0.07798 (12)	0.0715 (12)
H36G	0.4082	0.9712	0.0742	0.086*
H36H	0.3519	0.9346	0.0924	0.086*
C37D	0.4155 (4)	0.92788 (10)	0.04235 (12)	0.0866 (15)
H37D	0.4348	0.9006	0.0465	0.104*
C38D	0.2943 (4)	0.93126 (13)	0.02602 (15)	0.0943 (15)
H38G	0.2418	0.9199	0.0442	0.113*
H38H	0.2727	0.958	0.0213	0.113*
C39D	0.2885 (5)	0.91253 (16)	−0.00812 (13)	0.1016 (17)
H39G	0.2942	0.8852	−0.0024	0.122*
H39H	0.2159	0.9184	−0.0199	0.122*
C40D	0.3751 (4)	0.92368 (17)	−0.03351 (13)	0.0998 (17)
H40G	0.3562	0.9492	−0.0441	0.12*
H40H	0.3746	0.9069	−0.0541	0.12*
C41D	0.4899 (5)	0.9238 (2)	−0.01902 (16)	0.125 (2)
H41G	0.5384	0.9354	−0.0384	0.15*
H41H	0.5165	0.8977	−0.0137	0.15*
C42D	0.4998 (5)	0.94471 (12)	0.01567 (12)	0.1001 (18)
H42G	0.5753	0.9414	0.0261	0.12*
H42H	0.4838	0.9717	0.0103	0.12*
C43D	0.7866 (2)	1.01552 (7)	0.16308 (8)	0.0338 (6)
H43G	0.852	1.007	0.1492	0.041*
H43H	0.81	1.0181	0.1889	0.041*
C44D	0.7491 (2)	1.05288 (7)	0.14666 (9)	0.0398 (6)
H44D	0.7262	1.0493	0.1207	0.048*
C45D	0.8475 (2)	1.07941 (8)	0.14416 (9)	0.0431 (7)
H45G	0.8728	1.084	0.1694	0.052*
H45H	0.9097	1.0676	0.131	0.052*
C46D	0.8137 (3)	1.11658 (9)	0.12357 (10)	0.0556 (8)
H46G	0.8767	1.1336	0.1229	0.067*
H46H	0.7937	1.1122	0.0978	0.067*
C47D	0.7151 (3)	1.13456 (7)	0.14282 (9)	0.0435 (7)
H47G	0.7383	1.1416	0.1675	0.052*
H47H	0.6913	1.1577	0.1283	0.052*
C48D	0.6173 (2)	1.10849 (7)	0.14726 (9)	0.0397 (6)
H48G	0.5598	1.1199	0.1627	0.048*
H48H	0.5849	1.1052	0.1227	0.048*
C49D	0.6523 (2)	1.07089 (8)	0.16495 (10)	0.0445 (7)
H49G	0.6711	1.0738	0.1911	0.053*
H49H	0.589	1.054	0.1646	0.053*
C50D	0.3929 (2)	0.97018 (8)	0.16861 (9)	0.0415 (7)
H50G	0.3734	0.9543	0.1909	0.05*
H50H	0.366	0.9581	0.1467	0.05*
C51D	0.3357 (2)	1.00891 (9)	0.17037 (10)	0.0476 (7)
H51D	0.3683	1.0215	0.1914	0.057*
C52D	0.2127 (3)	1.00403 (11)	0.17811 (10)	0.0579 (9)
H52G	0.2036	0.9891	0.2018	0.069*
H52H	0.1801	0.9901	0.1584	0.069*
C53D	0.1499 (3)	1.04191 (12)	0.18004 (11)	0.0658 (10)
H53G	0.0699	1.0375	0.1831	0.079*
H53H	0.1755	1.0545	0.2018	0.079*
C54D	0.1678 (3)	1.06658 (10)	0.14604 (11)	0.0567 (9)
H54G	0.1309	1.0912	0.1489	0.068*
H54H	0.1339	1.0554	0.1247	0.068*
C55D	0.2906 (3)	1.07209 (9)	0.13838 (12)	0.0616 (10)
H55G	0.3235	1.0853	0.1586	0.074*
H55H	0.2998	1.0877	0.1151	0.074*
C56D	0.3510 (3)	1.03403 (9)	0.13533 (10)	0.0520 (8)
H56G	0.3217	1.0217	0.1139	0.062*
H56H	0.4308	1.038	0.1311	0.062*
C57D	0.83993 (19)	0.93041 (7)	0.21522 (7)	0.0286 (5)
H57G	0.8564	0.9465	0.1928	0.034*
H57H	0.8696	0.9049	0.2115	0.034*
C58D	0.8962 (2)	0.94557 (7)	0.24847 (8)	0.0331 (5)
H58D	0.8559	0.9692	0.2542	0.04*
C59D	1.0156 (2)	0.95526 (9)	0.23933 (9)	0.0440 (7)
H59G	1.0171	0.9736	0.2177	0.053*
H59H	1.0571	0.9325	0.2328	0.053*
C60D	1.0718 (3)	0.97182 (9)	0.27243 (10)	0.0503 (8)
H60G	1.1503	0.9763	0.2664	0.06*
H60H	1.0356	0.9962	0.2769	0.06*
C61D	1.0653 (2)	0.94626 (9)	0.30699 (9)	0.0476 (7)
H61G	1.0968	0.9587	0.328	0.057*
H61H	1.1098	0.9232	0.3037	0.057*
C62D	0.9459 (3)	0.93612 (9)	0.31581 (9)	0.0471 (7)
H62G	0.9032	0.9588	0.3219	0.057*
H62H	0.9444	0.9181	0.3377	0.057*
C63D	0.8921 (2)	0.91895 (8)	0.28293 (8)	0.0406 (6)
H63G	0.9313	0.8952	0.2781	0.049*
H63H	0.8142	0.9133	0.289	0.049*
C64D	0.4437 (2)	0.94500 (7)	0.26176 (8)	0.0316 (5)
H64G	0.3767	0.9308	0.2572	0.038*
H64H	0.4256	0.9718	0.2559	0.038*
C65D	0.4742 (2)	0.93914 (7)	0.30233 (7)	0.0324 (5)
H65D	0.4919	0.9119	0.3077	0.039*
C66D	0.3750 (3)	0.94936 (9)	0.32619 (9)	0.0463 (7)
H66G	0.3111	0.9343	0.3199	0.056*
H66H	0.3544	0.9761	0.321	0.056*
C67D	0.4024 (3)	0.94206 (11)	0.36720 (10)	0.0612 (9)
H67G	0.3389	0.9504	0.3821	0.073*
H67H	0.4143	0.9149	0.3729	0.073*
C68D	0.5046 (4)	0.96226 (11)	0.37788 (10)	0.0658 (10)
H68G	0.4891	0.9895	0.3756	0.079*
H68H	0.523	0.9551	0.404	0.079*
C69D	0.6024 (3)	0.95314 (10)	0.35374 (9)	0.0524 (8)
H69G	0.6245	0.9265	0.3585	0.063*
H69H	0.6657	0.9684	0.3601	0.063*
C70D	0.5750 (2)	0.96081 (8)	0.31280 (8)	0.0376 (6)
H70G	0.5601	0.9879	0.3075	0.045*
H70H	0.6392	0.9534	0.2977	0.045*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
V1A	0.01783 (17)	0.02086 (18)	0.01970 (17)	−0.00081 (13)	−0.00104 (14)	−0.00354 (14)
V2A	0.02048 (18)	0.01827 (17)	0.02099 (17)	−0.00060 (13)	−0.00151 (15)	−0.00278 (13)
V3A	0.02499 (19)	0.02042 (18)	0.01935 (18)	−0.00306 (14)	0.00055 (15)	−0.00367 (14)
V4A	0.01954 (18)	0.01908 (17)	0.02226 (18)	−0.00267 (13)	0.00400 (15)	−0.00424 (14)
V5A	0.01849 (18)	0.02086 (18)	0.02116 (18)	−0.00080 (14)	0.00226 (15)	−0.00197 (14)
O1A	0.0307 (9)	0.0278 (8)	0.0252 (8)	0.0028 (7)	−0.0039 (7)	−0.0057 (6)
O2A	0.0193 (7)	0.0231 (8)	0.0229 (7)	0.0014 (6)	−0.0007 (6)	−0.0037 (6)
O3A	0.0165 (7)	0.0257 (8)	0.0241 (8)	−0.0015 (6)	−0.0013 (6)	0.0004 (6)
O4A	0.0298 (9)	0.0231 (8)	0.0288 (8)	−0.0010 (6)	0.0004 (7)	−0.0026 (6)
O5A	0.0211 (8)	0.0257 (8)	0.0263 (8)	0.0013 (6)	−0.0049 (6)	−0.0069 (6)
O6A	0.0249 (8)	0.0224 (8)	0.0237 (8)	−0.0046 (6)	0.0034 (6)	−0.0045 (6)
O7A	0.0411 (10)	0.0293 (9)	0.0239 (8)	−0.0094 (7)	−0.0003 (7)	−0.0033 (7)
O8A	0.0214 (8)	0.0239 (8)	0.0247 (8)	−0.0052 (6)	−0.0003 (6)	−0.0031 (6)
O9A	0.0232 (8)	0.0224 (8)	0.0284 (8)	−0.0020 (6)	0.0084 (7)	−0.0020 (6)
O10A	0.0285 (8)	0.0228 (8)	0.0293 (8)	−0.0036 (6)	0.0091 (7)	−0.0046 (6)
O11A	0.0206 (8)	0.0236 (8)	0.0253 (8)	−0.0050 (6)	0.0054 (6)	−0.0051 (6)
O12A	0.0182 (7)	0.0296 (8)	0.0253 (8)	−0.0022 (6)	0.0018 (6)	−0.0034 (6)
O13A	0.0327 (9)	0.0271 (8)	0.0268 (8)	−0.0015 (7)	0.0022 (7)	−0.0007 (7)
O14A	0.0151 (7)	0.0235 (8)	0.0267 (8)	−0.0009 (6)	0.0004 (6)	−0.0042 (6)
O15A	0.0190 (7)	0.0243 (8)	0.0223 (7)	0.0000 (6)	−0.0032 (6)	−0.0020 (6)
C1A	0.0168 (10)	0.0297 (12)	0.0263 (11)	0.0013 (8)	−0.0009 (9)	−0.0056 (9)
C2A	0.0230 (11)	0.0273 (12)	0.0292 (12)	0.0020 (9)	−0.0030 (10)	−0.0065 (9)
C3A	0.0295 (13)	0.0361 (14)	0.0526 (17)	0.0063 (11)	−0.0007 (12)	−0.0126 (12)
C4A	0.0468 (18)	0.0362 (16)	0.081 (2)	0.0153 (13)	−0.0035 (17)	−0.0158 (15)
C5A	0.070 (2)	0.0315 (15)	0.069 (2)	0.0012 (14)	−0.0050 (18)	−0.0200 (15)
C6A	0.0461 (16)	0.0312 (14)	0.0471 (16)	−0.0076 (12)	−0.0127 (13)	−0.0057 (12)
C7A	0.0289 (12)	0.0298 (12)	0.0337 (13)	−0.0022 (10)	−0.0058 (10)	−0.0069 (10)
C8A	0.0170 (10)	0.0286 (12)	0.0278 (11)	0.0004 (8)	0.0009 (9)	0.0015 (9)
C9A	0.0177 (11)	0.0323 (12)	0.0322 (12)	−0.0016 (9)	0.0000 (10)	0.0006 (10)
C10A	0.0233 (12)	0.0353 (14)	0.0467 (15)	−0.0007 (10)	−0.0043 (11)	0.0054 (11)
C11A	0.0234 (13)	0.0536 (18)	0.0545 (18)	−0.0064 (12)	−0.0104 (13)	0.0000 (14)
C12A	0.0309 (14)	0.0402 (15)	0.0619 (19)	−0.0113 (11)	−0.0080 (13)	−0.0055 (13)
C13A	0.0316 (14)	0.0329 (13)	0.0491 (16)	−0.0035 (10)	−0.0020 (12)	−0.0065 (12)
C14A	0.0247 (12)	0.0307 (13)	0.0365 (13)	−0.0024 (9)	−0.0034 (10)	−0.0012 (10)
C15A	0.0222 (11)	0.0319 (12)	0.0310 (12)	−0.0002 (9)	−0.0057 (10)	−0.0053 (10)
C16A	0.0254 (12)	0.0343 (13)	0.0300 (12)	0.0046 (10)	−0.0056 (10)	−0.0062 (10)
C17A	0.0287 (14)	0.0514 (17)	0.0444 (16)	0.0062 (12)	−0.0060 (12)	−0.0037 (13)
C18A	0.0321 (15)	0.0595 (19)	0.0525 (18)	0.0195 (13)	−0.0059 (13)	−0.0053 (15)
C19A	0.0521 (19)	0.057 (2)	0.059 (2)	0.0275 (16)	−0.0069 (16)	0.0049 (16)
C20A	0.053 (2)	0.054 (2)	0.068 (2)	0.0219 (16)	0.0069 (17)	0.0207 (17)
C21A	0.0418 (16)	0.0465 (17)	0.0407 (15)	0.0182 (13)	0.0005 (13)	0.0073 (12)
C22A	0.0221 (11)	0.0255 (11)	0.0277 (12)	−0.0043 (9)	0.0035 (9)	−0.0036 (9)
C23A	0.0281 (12)	0.0227 (11)	0.0261 (11)	−0.0048 (9)	0.0035 (10)	−0.0041 (9)
C24A	0.0278 (12)	0.0322 (13)	0.0319 (13)	−0.0044 (10)	0.0065 (10)	−0.0020 (10)
C25A	0.0422 (15)	0.0431 (15)	0.0333 (14)	−0.0113 (12)	0.0117 (12)	−0.0008 (11)
C26A	0.0511 (18)	0.0443 (16)	0.0340 (14)	−0.0136 (13)	0.0013 (13)	0.0101 (12)
C27A	0.0400 (15)	0.0410 (15)	0.0358 (14)	−0.0083 (12)	−0.0045 (12)	0.0068 (11)
C28A	0.0274 (12)	0.0287 (12)	0.0323 (13)	−0.0042 (9)	0.0011 (10)	0.0002 (10)
C29A	0.0207 (11)	0.0361 (13)	0.0285 (12)	−0.0060 (9)	0.0009 (10)	−0.0061 (10)
C30A	0.0260 (12)	0.0247 (11)	0.0273 (12)	−0.0050 (9)	−0.0045 (10)	0.0013 (9)
C31A	0.0341 (14)	0.0386 (14)	0.0390 (14)	−0.0142 (11)	−0.0026 (12)	−0.0003 (11)
C32A	0.0409 (15)	0.0321 (14)	0.0544 (17)	−0.0122 (11)	−0.0092 (13)	−0.0037 (12)
C33A	0.0497 (17)	0.0375 (15)	0.0436 (16)	−0.0051 (12)	−0.0135 (13)	−0.0119 (12)
C34A	0.0473 (16)	0.0355 (14)	0.0346 (14)	−0.0049 (12)	−0.0013 (12)	−0.0099 (11)
C35A	0.0310 (12)	0.0259 (12)	0.0278 (12)	−0.0024 (9)	−0.0034 (10)	−0.0028 (9)
C36A	0.0244 (12)	0.0287 (12)	0.0350 (13)	−0.0044 (9)	0.0098 (10)	−0.0022 (10)
C37A	0.0253 (12)	0.0250 (11)	0.0242 (11)	0.0019 (9)	0.0053 (9)	0.0016 (9)
C38A	0.0285 (13)	0.0398 (14)	0.0379 (14)	0.0038 (11)	0.0112 (11)	−0.0023 (11)
C39A	0.0370 (16)	0.0574 (19)	0.0534 (18)	0.0150 (14)	0.0100 (14)	−0.0129 (15)
C40A	0.056 (2)	0.068 (2)	0.0534 (19)	0.0186 (17)	0.0065 (16)	−0.0295 (17)
C41A	0.0497 (18)	0.0502 (18)	0.0453 (17)	0.0056 (14)	−0.0015 (14)	−0.0216 (14)
C42A	0.0328 (13)	0.0358 (13)	0.0254 (12)	0.0053 (10)	0.0007 (10)	−0.0016 (10)
C43A	0.0220 (11)	0.0271 (12)	0.0361 (13)	−0.0074 (9)	0.0074 (10)	−0.0035 (10)
C44A	0.0254 (12)	0.0256 (11)	0.0249 (11)	−0.0032 (9)	0.0025 (9)	−0.0003 (9)
C45A	0.0268 (12)	0.0282 (12)	0.0391 (14)	−0.0042 (10)	0.0017 (11)	−0.0007 (10)
C46A	0.0443 (16)	0.0252 (13)	0.0556 (17)	−0.0097 (11)	0.0011 (14)	−0.0034 (12)
C47A	0.0447 (17)	0.0240 (13)	0.072 (2)	−0.0006 (11)	0.0097 (15)	0.0033 (13)
C48A	0.0354 (14)	0.0278 (13)	0.0561 (17)	0.0025 (11)	0.0082 (13)	0.0043 (12)
C49A	0.0259 (12)	0.0295 (12)	0.0326 (13)	−0.0015 (9)	0.0015 (10)	0.0043 (10)
C50A	0.0193 (11)	0.0371 (13)	0.0304 (12)	−0.0050 (9)	0.0026 (10)	−0.0043 (10)
C51A	0.0211 (11)	0.0401 (14)	0.0259 (12)	0.0003 (10)	0.0007 (10)	−0.0036 (10)
C52A	0.0243 (13)	0.0549 (18)	0.0478 (16)	0.0004 (12)	0.0077 (12)	0.0063 (13)
C53A	0.0293 (15)	0.067 (2)	0.064 (2)	0.0138 (14)	0.0130 (15)	0.0098 (17)
C54A	0.0321 (15)	0.062 (2)	0.073 (2)	0.0151 (14)	0.0024 (16)	0.0107 (17)
C55A	0.0358 (15)	0.0467 (17)	0.0547 (18)	0.0048 (12)	−0.0032 (14)	0.0059 (14)
C56A	0.0240 (12)	0.0436 (15)	0.0342 (13)	−0.0020 (10)	0.0005 (11)	−0.0008 (11)
C57A	0.0170 (10)	0.0255 (11)	0.0287 (11)	−0.0017 (8)	−0.0017 (9)	−0.0049 (9)
C58A	0.0224 (12)	0.0356 (13)	0.0359 (13)	−0.0005 (10)	0.0025 (10)	−0.0024 (10)
C59A	0.0249 (14)	0.0589 (19)	0.063 (2)	0.0030 (12)	0.0022 (14)	0.0163 (16)
C60A	0.0300 (16)	0.077 (3)	0.091 (3)	0.0169 (16)	0.0205 (18)	0.032 (2)
C61A	0.0332 (16)	0.071 (2)	0.086 (3)	0.0065 (15)	0.0197 (18)	0.034 (2)
C62A	0.0422 (17)	0.065 (2)	0.056 (2)	0.0099 (15)	0.0174 (16)	0.0228 (16)
C63A	0.0270 (13)	0.0419 (15)	0.0515 (17)	0.0040 (11)	0.0069 (12)	0.0089 (13)
C64A	0.0196 (11)	0.0333 (12)	0.0290 (12)	0.0000 (9)	−0.0053 (10)	−0.0009 (10)
C65A	0.0307 (12)	0.0284 (12)	0.0248 (11)	0.0042 (9)	−0.0058 (10)	−0.0031 (9)
C66A	0.0355 (14)	0.0444 (15)	0.0331 (14)	0.0019 (11)	−0.0107 (12)	−0.0029 (11)
C67A	0.0554 (18)	0.0526 (18)	0.0302 (14)	0.0034 (14)	−0.0153 (13)	−0.0063 (12)
C68A	0.0593 (19)	0.0469 (16)	0.0233 (12)	0.0128 (14)	−0.0046 (12)	−0.0027 (11)
C69A	0.0441 (16)	0.0417 (15)	0.0262 (12)	0.0096 (12)	0.0006 (11)	−0.0022 (11)
C70A	0.0328 (13)	0.0329 (13)	0.0255 (12)	0.0021 (10)	−0.0012 (10)	−0.0023 (10)
V1B	0.02465 (19)	0.01643 (17)	0.02135 (18)	−0.00258 (14)	0.00241 (15)	−0.00320 (13)
V2B	0.02559 (19)	0.01818 (17)	0.01737 (17)	−0.00487 (14)	0.00059 (15)	−0.00205 (13)
V3B	0.02211 (18)	0.01593 (17)	0.01893 (17)	−0.00396 (13)	−0.00161 (14)	−0.00070 (13)
V4B	0.02283 (18)	0.01844 (17)	0.01738 (17)	−0.00256 (14)	−0.00125 (14)	−0.00178 (13)
V5B	0.02301 (18)	0.01862 (17)	0.01914 (17)	−0.00246 (14)	−0.00001 (15)	−0.00039 (13)
O1B	0.0399 (10)	0.0218 (8)	0.0293 (8)	−0.0038 (7)	0.0081 (8)	−0.0045 (6)
O2B	0.0247 (8)	0.0199 (7)	0.0232 (7)	−0.0062 (6)	−0.0016 (6)	−0.0006 (6)
O3B	0.0264 (8)	0.0202 (7)	0.0270 (8)	−0.0016 (6)	0.0057 (7)	−0.0018 (6)
O4B	0.0411 (10)	0.0312 (9)	0.0222 (8)	−0.0086 (7)	−0.0005 (7)	−0.0028 (7)
O5B	0.0227 (8)	0.0194 (7)	0.0238 (8)	−0.0015 (6)	−0.0036 (6)	−0.0038 (6)
O6B	0.0239 (8)	0.0208 (7)	0.0215 (7)	−0.0054 (6)	0.0020 (6)	−0.0015 (6)
O7B	0.0323 (9)	0.0207 (8)	0.0274 (8)	−0.0054 (6)	0.0013 (7)	−0.0006 (6)
O8B	0.0222 (8)	0.0198 (7)	0.0205 (7)	−0.0006 (6)	−0.0003 (6)	−0.0011 (6)
O9B	0.0205 (8)	0.0267 (8)	0.0215 (7)	−0.0040 (6)	−0.0018 (6)	0.0018 (6)
O10B	0.0364 (9)	0.0251 (8)	0.0227 (8)	0.0008 (7)	−0.0032 (7)	−0.0043 (6)
O11B	0.0213 (8)	0.0199 (7)	0.0239 (7)	−0.0024 (6)	0.0004 (6)	−0.0014 (6)
O12B	0.0252 (8)	0.0219 (7)	0.0200 (7)	−0.0016 (6)	−0.0049 (6)	−0.0005 (6)
O13B	0.0356 (9)	0.0254 (8)	0.0255 (8)	−0.0064 (7)	−0.0020 (7)	0.0006 (6)
O14B	0.0253 (8)	0.0191 (7)	0.0225 (7)	−0.0052 (6)	0.0012 (6)	−0.0020 (6)
O15B	0.0222 (8)	0.0287 (8)	0.0243 (8)	−0.0012 (6)	0.0005 (6)	−0.0040 (6)
C1B	0.0234 (11)	0.0241 (11)	0.0277 (11)	−0.0053 (9)	−0.0002 (9)	−0.0010 (9)
C2B	0.0285 (12)	0.0206 (11)	0.0372 (13)	−0.0058 (9)	−0.0076 (10)	0.0021 (9)
C3B	0.0286 (13)	0.0292 (13)	0.071 (2)	−0.0090 (10)	−0.0112 (14)	0.0071 (13)
C4B	0.0374 (16)	0.0269 (15)	0.135 (4)	−0.0089 (12)	−0.035 (2)	−0.0020 (18)
C5B	0.068 (2)	0.0397 (17)	0.100 (3)	0.0036 (16)	−0.051 (2)	−0.0282 (19)
C6B	0.064 (2)	0.0404 (17)	0.065 (2)	0.0058 (15)	−0.0287 (17)	−0.0254 (15)
C7B	0.0438 (15)	0.0305 (13)	0.0348 (13)	−0.0012 (11)	−0.0107 (12)	−0.0103 (10)
C8B	0.0254 (12)	0.0238 (11)	0.0366 (13)	−0.0025 (9)	0.0054 (10)	−0.0022 (9)
C9B	0.0298 (13)	0.0299 (12)	0.0355 (13)	−0.0039 (10)	0.0073 (11)	−0.0084 (10)
C10B	0.0306 (14)	0.0462 (16)	0.0430 (15)	−0.0042 (11)	0.0046 (12)	−0.0032 (12)
C11B	0.0305 (14)	0.0617 (19)	0.0431 (16)	0.0005 (13)	0.0059 (13)	−0.0052 (14)
C12B	0.0462 (17)	0.0517 (18)	0.0460 (17)	0.0074 (14)	0.0118 (14)	−0.0142 (14)
C13B	0.0447 (17)	0.0494 (17)	0.0404 (15)	−0.0070 (13)	0.0068 (13)	−0.0159 (13)
C14B	0.0374 (15)	0.0395 (15)	0.0456 (16)	−0.0098 (12)	0.0128 (13)	−0.0167 (12)
C15B	0.0230 (11)	0.0233 (11)	0.0240 (11)	−0.0027 (8)	−0.0042 (9)	−0.0017 (8)
C16B	0.0309 (12)	0.0230 (11)	0.0226 (11)	−0.0006 (9)	−0.0051 (9)	−0.0022 (9)
C17B	0.0315 (13)	0.0358 (14)	0.0413 (15)	0.0050 (11)	−0.0095 (11)	−0.0038 (11)
C18B	0.0473 (17)	0.0420 (16)	0.0569 (19)	0.0170 (13)	−0.0165 (15)	−0.0039 (14)
C19B	0.086 (3)	0.0324 (15)	0.0454 (17)	0.0153 (15)	−0.0201 (17)	0.0056 (13)
C20B	0.077 (2)	0.0281 (14)	0.0362 (15)	−0.0039 (14)	0.0020 (15)	0.0077 (11)
C21B	0.0481 (16)	0.0262 (12)	0.0253 (12)	−0.0014 (11)	−0.0012 (11)	0.0017 (9)
C22B	0.0231 (11)	0.0292 (12)	0.0265 (11)	−0.0057 (9)	0.0031 (9)	−0.0002 (9)
C23B	0.0307 (12)	0.0244 (11)	0.0285 (12)	−0.0057 (9)	0.0070 (10)	−0.0009 (9)
C24B	0.0405 (16)	0.0526 (18)	0.0420 (16)	−0.0197 (13)	0.0060 (13)	0.0087 (13)
C25B	0.057 (2)	0.0534 (19)	0.0479 (17)	−0.0278 (15)	0.0127 (15)	0.0116 (14)
C26B	0.061 (2)	0.0430 (16)	0.0377 (15)	−0.0074 (14)	0.0152 (14)	0.0125 (12)
C27B	0.0521 (18)	0.0369 (15)	0.0369 (14)	−0.0042 (12)	0.0013 (13)	0.0104 (12)
C28B	0.0396 (14)	0.0290 (13)	0.0301 (12)	−0.0044 (10)	0.0007 (11)	0.0037 (10)
C29B	0.0241 (11)	0.0232 (11)	0.0243 (11)	0.0013 (9)	−0.0005 (9)	−0.0026 (8)
C30B	0.0334 (13)	0.0217 (11)	0.0310 (12)	0.0005 (9)	−0.0051 (10)	−0.0041 (9)
C31B	0.0417 (16)	0.0314 (14)	0.0596 (19)	0.0071 (12)	−0.0067 (14)	−0.0104 (13)
C32B	0.063 (2)	0.0328 (16)	0.082 (3)	0.0148 (14)	−0.0198 (19)	−0.0149 (16)
C33B	0.085 (3)	0.0325 (16)	0.064 (2)	0.0054 (16)	−0.0112 (19)	−0.0191 (15)
C34B	0.068 (2)	0.0335 (16)	0.070 (2)	−0.0044 (14)	−0.0297 (18)	−0.0109 (15)
C35B	0.0551 (18)	0.0257 (13)	0.0608 (19)	0.0018 (12)	−0.0265 (15)	−0.0090 (12)
C36B	0.0199 (11)	0.0300 (12)	0.0263 (11)	−0.0007 (9)	−0.0019 (9)	0.0028 (9)
C37B	0.0256 (12)	0.0340 (13)	0.0312 (12)	−0.0090 (10)	0.0001 (10)	−0.0022 (10)
C38B	0.0259 (14)	0.0621 (19)	0.0534 (18)	−0.0109 (13)	0.0045 (13)	−0.0202 (15)
C39B	0.0444 (19)	0.096 (3)	0.092 (3)	−0.040 (2)	0.030 (2)	−0.052 (2)
C40B	0.049 (2)	0.105 (3)	0.100 (3)	−0.044 (2)	0.024 (2)	−0.064 (3)
C41B	0.0513 (19)	0.068 (2)	0.067 (2)	−0.0291 (17)	0.0175 (17)	−0.0348 (18)
C42B	0.0319 (14)	0.0535 (17)	0.0407 (15)	−0.0138 (12)	0.0046 (12)	−0.0145 (13)
C43B	0.0217 (11)	0.0245 (11)	0.0286 (12)	−0.0037 (8)	−0.0027 (9)	−0.0013 (9)
C44B	0.0236 (12)	0.0282 (12)	0.0375 (13)	−0.0025 (9)	0.0047 (10)	−0.0037 (10)
C45B	0.0257 (14)	0.0525 (18)	0.065 (2)	0.0003 (12)	0.0050 (14)	0.0013 (15)
C46B	0.0305 (16)	0.069 (2)	0.092 (3)	0.0014 (15)	0.0210 (18)	−0.008 (2)
C47B	0.048 (2)	0.073 (2)	0.080 (3)	−0.0156 (17)	0.036 (2)	−0.010 (2)
C48B	0.054 (2)	0.0561 (19)	0.0503 (18)	−0.0104 (15)	0.0252 (16)	0.0039 (15)
C49B	0.0370 (14)	0.0346 (14)	0.0393 (14)	−0.0048 (11)	0.0106 (12)	0.0026 (11)
C50B	0.0255 (11)	0.0288 (12)	0.0247 (11)	−0.0007 (9)	−0.0069 (10)	−0.0029 (9)
C51B	0.0386 (14)	0.0270 (12)	0.0250 (12)	−0.0024 (10)	−0.0065 (11)	0.0003 (9)
C52B	0.0415 (15)	0.0436 (15)	0.0292 (13)	0.0006 (12)	−0.0106 (12)	0.0002 (11)
C53B	0.064 (2)	0.0477 (17)	0.0308 (14)	−0.0014 (14)	−0.0171 (14)	0.0035 (12)
C54B	0.070 (2)	0.0440 (16)	0.0225 (12)	−0.0056 (14)	−0.0025 (13)	−0.0012 (11)
C55B	0.0527 (17)	0.0364 (14)	0.0275 (13)	−0.0066 (12)	0.0034 (12)	−0.0001 (11)
C56B	0.0372 (14)	0.0342 (13)	0.0257 (12)	−0.0011 (10)	−0.0025 (11)	0.0004 (10)
C57B	0.0252 (11)	0.0230 (11)	0.0272 (11)	−0.0068 (9)	0.0012 (9)	0.0002 (9)
C58B	0.0387 (14)	0.0211 (11)	0.0219 (11)	−0.0078 (9)	0.0020 (10)	0.0004 (8)
C59B	0.0447 (15)	0.0275 (12)	0.0312 (13)	−0.0124 (11)	−0.0016 (11)	0.0003 (10)
C60B	0.072 (2)	0.0267 (13)	0.0374 (15)	−0.0186 (13)	0.0017 (14)	−0.0022 (11)
C61B	0.073 (2)	0.0215 (12)	0.0427 (16)	−0.0021 (13)	0.0072 (15)	0.0005 (11)
C62B	0.0558 (18)	0.0269 (13)	0.0369 (14)	0.0052 (12)	0.0082 (13)	0.0020 (11)
C63B	0.0377 (14)	0.0243 (12)	0.0281 (12)	−0.0010 (10)	0.0025 (11)	0.0016 (9)
C64B	0.0215 (12)	0.0547 (17)	0.0326 (13)	−0.0048 (11)	−0.0005 (10)	−0.0095 (12)
C65B	0.020 (2)	0.035 (3)	0.040 (3)	−0.002 (2)	−0.005 (2)	−0.010 (2)
C66B	0.027 (3)	0.050 (3)	0.074 (4)	0.000 (2)	0.008 (3)	−0.020 (3)
C67B	0.026 (3)	0.065 (4)	0.100 (5)	0.002 (3)	−0.010 (3)	−0.030 (4)
C68B	0.042 (3)	0.055 (4)	0.090 (5)	0.012 (3)	−0.032 (3)	−0.020 (4)
C69B	0.058 (3)	0.043 (3)	0.055 (3)	0.011 (2)	−0.022 (3)	−0.011 (2)
C70B	0.035 (3)	0.034 (3)	0.048 (3)	0.005 (2)	−0.012 (2)	−0.009 (2)
C65E	0.024 (4)	0.035 (5)	0.035 (4)	−0.011 (3)	−0.009 (3)	−0.007 (3)
C66E	0.027 (4)	0.038 (4)	0.055 (5)	−0.006 (3)	−0.001 (4)	−0.003 (4)
C67E	0.029 (4)	0.047 (5)	0.085 (6)	0.009 (3)	0.003 (4)	−0.005 (4)
C68E	0.040 (5)	0.036 (5)	0.086 (7)	0.015 (4)	−0.015 (4)	0.001 (4)
C69E	0.042 (4)	0.028 (4)	0.062 (5)	0.008 (3)	−0.007 (4)	0.004 (3)
C70E	0.029 (4)	0.036 (4)	0.034 (4)	0.002 (3)	−0.006 (3)	−0.005 (3)
V1C	0.01907 (18)	0.02238 (18)	0.01930 (17)	0.00086 (14)	−0.00043 (14)	−0.00527 (14)
V2C	0.01682 (17)	0.01988 (17)	0.01719 (17)	−0.00075 (13)	0.00016 (14)	−0.00162 (13)
V3C	0.01745 (17)	0.01685 (17)	0.01735 (16)	−0.00068 (13)	−0.00032 (14)	−0.00220 (13)
V4C	0.01962 (17)	0.01825 (17)	0.01758 (17)	−0.00091 (13)	−0.00161 (14)	−0.00083 (13)
V5C	0.02210 (18)	0.01822 (17)	0.02214 (18)	0.00012 (14)	−0.00185 (15)	−0.00377 (14)
O1C	0.0309 (9)	0.0307 (9)	0.0259 (8)	0.0045 (7)	−0.0019 (7)	−0.0073 (7)
O2C	0.0176 (7)	0.0245 (8)	0.0214 (7)	0.0000 (6)	−0.0033 (6)	−0.0049 (6)
O3C	0.0155 (7)	0.0246 (8)	0.0262 (8)	0.0003 (6)	0.0011 (6)	−0.0054 (6)
O4C	0.0288 (8)	0.0274 (8)	0.0228 (8)	−0.0030 (6)	−0.0024 (7)	0.0000 (6)
O5C	0.0150 (7)	0.0262 (8)	0.0188 (7)	−0.0003 (6)	−0.0003 (6)	−0.0019 (6)
O6C	0.0182 (7)	0.0203 (7)	0.0193 (7)	−0.0035 (6)	0.0000 (6)	−0.0007 (6)
O7C	0.0330 (9)	0.0222 (8)	0.0234 (8)	−0.0038 (6)	0.0026 (7)	−0.0042 (6)
O8C	0.0198 (7)	0.0207 (7)	0.0197 (7)	−0.0002 (6)	0.0026 (6)	−0.0008 (6)
O9C	0.0150 (7)	0.0217 (7)	0.0256 (8)	−0.0007 (6)	−0.0017 (6)	0.0024 (6)
O10C	0.0294 (8)	0.0251 (8)	0.0228 (8)	0.0012 (6)	−0.0025 (7)	−0.0003 (6)
O11C	0.0224 (8)	0.0239 (8)	0.0220 (7)	−0.0052 (6)	0.0012 (6)	−0.0044 (6)
O12C	0.0215 (8)	0.0227 (8)	0.0251 (8)	0.0036 (6)	−0.0029 (6)	−0.0056 (6)
O13C	0.0369 (9)	0.0225 (8)	0.0332 (9)	−0.0012 (7)	−0.0037 (8)	−0.0038 (7)
O14C	0.0191 (7)	0.0259 (8)	0.0229 (7)	−0.0016 (6)	−0.0031 (6)	−0.0017 (6)
O15C	0.0202 (8)	0.0266 (8)	0.0255 (8)	0.0048 (6)	0.0006 (6)	−0.0033 (6)
C1C	0.0185 (10)	0.0291 (11)	0.0239 (11)	0.0009 (8)	−0.0035 (9)	−0.0042 (9)
C2C	0.0213 (11)	0.0246 (11)	0.0201 (10)	−0.0020 (8)	−0.0014 (9)	−0.0014 (8)
C3C	0.0237 (11)	0.0284 (12)	0.0248 (11)	−0.0023 (9)	−0.0029 (9)	−0.0019 (9)
C4C	0.0354 (13)	0.0350 (13)	0.0254 (12)	−0.0059 (10)	−0.0076 (10)	−0.0034 (10)
C5C	0.0465 (16)	0.0419 (15)	0.0209 (11)	−0.0055 (12)	−0.0010 (11)	−0.0007 (10)
C6C	0.0354 (14)	0.0360 (13)	0.0261 (12)	−0.0053 (10)	0.0071 (11)	−0.0008 (10)
C7C	0.0265 (12)	0.0270 (12)	0.0267 (12)	−0.0037 (9)	0.0011 (10)	−0.0011 (9)
C8C	0.0159 (10)	0.0304 (12)	0.0289 (12)	−0.0003 (9)	−0.0007 (9)	−0.0022 (9)
C9C	0.015 (2)	0.033 (3)	0.020 (2)	−0.0001 (19)	0.002 (2)	−0.003 (2)
C10C	0.019 (3)	0.043 (3)	0.025 (3)	−0.001 (3)	0.000 (2)	−0.005 (2)
C11C	0.027 (6)	0.042 (7)	0.029 (6)	−0.014 (6)	0.006 (4)	−0.008 (5)
C12C	0.025 (3)	0.058 (4)	0.029 (3)	−0.005 (3)	0.010 (2)	0.000 (3)
C13C	0.023 (3)	0.045 (3)	0.025 (3)	0.004 (2)	0.002 (2)	−0.003 (2)
C14C	0.016 (3)	0.041 (6)	0.021 (3)	0.005 (4)	0.002 (2)	−0.008 (4)
C9E	0.0186 (19)	0.030 (2)	0.032 (2)	−0.0002 (15)	0.0028 (17)	−0.0075 (17)
C10E	0.023 (2)	0.040 (3)	0.036 (2)	0.0055 (18)	0.0054 (19)	−0.0054 (19)
C13E	0.040 (3)	0.034 (3)	0.050 (3)	0.000 (2)	0.015 (2)	−0.001 (2)
C12E	0.027 (5)	0.046 (7)	0.072 (9)	−0.014 (4)	0.004 (4)	−0.020 (4)
C11E	0.022 (3)	0.052 (3)	0.047 (3)	−0.002 (2)	0.002 (2)	−0.015 (2)
C14E	0.028 (3)	0.040 (5)	0.042 (4)	0.005 (4)	0.007 (2)	−0.001 (4)
C15C	0.0161 (10)	0.0322 (12)	0.0229 (11)	−0.0041 (9)	0.0005 (9)	−0.0056 (9)
C16C	0.0179 (11)	0.0386 (13)	0.0312 (12)	0.0017 (9)	0.0003 (10)	−0.0126 (10)
C17C	0.0197 (13)	0.066 (2)	0.068 (2)	−0.0016 (13)	0.0059 (14)	−0.0255 (17)
C18C	0.0200 (14)	0.087 (3)	0.106 (3)	0.0069 (15)	0.0071 (18)	−0.048 (3)
C19C	0.0411 (18)	0.073 (3)	0.103 (3)	0.0334 (18)	−0.026 (2)	−0.042 (2)
C20C	0.0481 (18)	0.0490 (18)	0.059 (2)	0.0252 (14)	−0.0160 (15)	−0.0142 (15)
C21C	0.0342 (14)	0.0401 (15)	0.0382 (14)	0.0126 (11)	−0.0074 (12)	−0.0064 (11)
C22C	0.0162 (10)	0.0227 (11)	0.0237 (10)	−0.0034 (8)	0.0003 (8)	−0.0023 (8)
C23C	0.0225 (11)	0.0226 (11)	0.0235 (11)	−0.0032 (8)	−0.0017 (9)	−0.0010 (8)
C24C	0.0318 (13)	0.0311 (13)	0.0375 (14)	−0.0109 (10)	−0.0020 (11)	0.0022 (10)
C25C	0.0560 (18)	0.0287 (13)	0.0447 (16)	−0.0165 (12)	−0.0032 (14)	0.0058 (11)
C26C	0.083 (2)	0.0203 (13)	0.0451 (16)	−0.0013 (13)	−0.0035 (16)	0.0023 (11)
C27C	0.0472 (16)	0.0314 (14)	0.0436 (15)	0.0131 (12)	0.0022 (13)	0.0006 (11)
C28C	0.0292 (12)	0.0249 (12)	0.0313 (12)	0.0031 (9)	0.0039 (10)	−0.0022 (9)
C29C	0.0187 (10)	0.0262 (11)	0.0232 (11)	−0.0003 (8)	0.0035 (9)	−0.0027 (8)
C30C	0.0256 (12)	0.0304 (12)	0.0229 (11)	−0.0006 (9)	0.0018 (9)	−0.0045 (9)
C31C	0.0318 (13)	0.0356 (13)	0.0310 (13)	0.0000 (10)	0.0070 (11)	−0.0037 (10)
C32C	0.0484 (17)	0.0469 (16)	0.0287 (13)	−0.0009 (13)	0.0123 (12)	−0.0040 (11)
C33C	0.069 (2)	0.0554 (19)	0.0272 (14)	−0.0049 (16)	0.0068 (14)	−0.0147 (13)
C34C	0.0544 (19)	0.0606 (19)	0.0308 (14)	−0.0152 (15)	−0.0036 (13)	−0.0133 (13)
C35C	0.0406 (15)	0.0427 (15)	0.0282 (13)	−0.0116 (12)	0.0028 (11)	−0.0088 (11)
C36C	0.0187 (11)	0.0253 (11)	0.0280 (11)	−0.0008 (8)	0.0004 (9)	0.0036 (9)
C37C	0.0204 (11)	0.0277 (12)	0.0331 (12)	−0.0016 (9)	−0.0047 (10)	0.0022 (9)
C38C	0.0215 (12)	0.0456 (16)	0.0472 (16)	0.0004 (11)	−0.0034 (11)	−0.0033 (12)
C39C	0.0263 (14)	0.063 (2)	0.066 (2)	0.0090 (13)	−0.0184 (14)	−0.0139 (16)
C40C	0.0399 (17)	0.060 (2)	0.066 (2)	0.0042 (14)	−0.0274 (16)	−0.0180 (16)
C41C	0.0430 (16)	0.0526 (18)	0.0479 (17)	0.0105 (13)	−0.0170 (14)	−0.0180 (14)
C42C	0.0311 (13)	0.0371 (14)	0.0458 (16)	0.0050 (11)	−0.0119 (12)	−0.0080 (12)
C43C	0.0222 (11)	0.0300 (12)	0.0280 (12)	−0.0059 (9)	0.0018 (9)	−0.0056 (9)
C44C	0.0328 (13)	0.0258 (12)	0.0271 (12)	−0.0069 (9)	0.0066 (10)	−0.0043 (9)
C45C	0.0378 (15)	0.0365 (14)	0.0481 (16)	−0.0067 (11)	0.0156 (13)	−0.0057 (12)
C46C	0.063 (2)	0.0415 (16)	0.0563 (19)	−0.0099 (14)	0.0340 (17)	−0.0065 (14)
C47C	0.092 (3)	0.0428 (17)	0.0457 (18)	−0.0127 (17)	0.0309 (19)	0.0050 (14)
C48C	0.077 (2)	0.0390 (16)	0.0360 (15)	−0.0066 (15)	0.0054 (15)	0.0084 (12)
C49C	0.0461 (16)	0.0277 (13)	0.0338 (13)	−0.0039 (11)	0.0057 (12)	0.0023 (10)
C50C	0.0217 (11)	0.0268 (12)	0.0340 (13)	0.0047 (9)	−0.0021 (10)	−0.0054 (10)
C51C	0.0286 (12)	0.0287 (12)	0.0305 (12)	0.0077 (10)	−0.0039 (10)	−0.0057 (10)
C52C	0.0316 (14)	0.0360 (14)	0.0425 (15)	0.0078 (11)	−0.0064 (12)	−0.0010 (11)
C53C	0.0418 (16)	0.0465 (16)	0.0440 (16)	0.0147 (13)	−0.0116 (13)	0.0005 (13)
C54C	0.0526 (18)	0.0423 (16)	0.0406 (15)	0.0134 (13)	−0.0013 (14)	0.0088 (12)
C55C	0.0453 (16)	0.0438 (16)	0.0362 (14)	0.0022 (12)	0.0004 (13)	0.0057 (12)
C56C	0.0340 (13)	0.0339 (13)	0.0316 (13)	0.0016 (10)	−0.0025 (11)	−0.0004 (10)
C57C	0.0185 (11)	0.0301 (12)	0.0271 (11)	−0.0038 (9)	−0.0005 (9)	−0.0029 (9)
C58C	0.0256 (12)	0.0324 (12)	0.0228 (11)	−0.0104 (9)	−0.0016 (9)	0.0002 (9)
C59C	0.0268 (13)	0.0440 (15)	0.0343 (13)	−0.0121 (11)	−0.0072 (11)	0.0068 (11)
C60C	0.0443 (17)	0.069 (2)	0.0399 (16)	−0.0254 (15)	−0.0171 (14)	0.0037 (14)
C61C	0.070 (2)	0.068 (2)	0.053 (2)	−0.0296 (19)	−0.0186 (18)	−0.0176 (17)
C62C	0.067 (2)	0.0497 (18)	0.0419 (16)	−0.0195 (16)	−0.0009 (15)	−0.0179 (14)
C63C	0.0365 (14)	0.0336 (13)	0.0321 (13)	−0.0097 (11)	−0.0003 (11)	−0.0054 (10)
C64C	0.0202 (11)	0.0312 (12)	0.0327 (12)	0.0048 (9)	0.0039 (10)	−0.0019 (10)
C65C	0.0292 (13)	0.0314 (13)	0.0303 (12)	0.0058 (10)	0.0049 (10)	−0.0035 (10)
C66C	0.0355 (15)	0.0339 (14)	0.0592 (18)	0.0070 (11)	0.0164 (14)	0.0030 (13)
C67C	0.0458 (17)	0.0329 (15)	0.066 (2)	0.0121 (12)	0.0228 (16)	0.0003 (13)
C68C	0.094 (3)	0.0434 (17)	0.0399 (16)	0.0218 (18)	0.0107 (17)	−0.0089 (13)
C69C	0.076 (2)	0.0441 (18)	0.0525 (19)	0.0140 (16)	−0.0219 (17)	−0.0197 (15)
C70C	0.0571 (19)	0.0406 (16)	0.0423 (16)	0.0138 (13)	−0.0111 (14)	−0.0126 (13)
V1D	0.02546 (19)	0.01716 (17)	0.0280 (2)	−0.00052 (14)	−0.00531 (16)	−0.00092 (14)
V2D	0.0330 (2)	0.01794 (18)	0.0317 (2)	−0.00139 (15)	−0.00576 (18)	−0.00468 (15)
V3D	0.0447 (3)	0.0243 (2)	0.0306 (2)	−0.00447 (18)	−0.01081 (19)	−0.00464 (16)
V4D	0.0480 (3)	0.0214 (2)	0.0360 (2)	−0.00577 (18)	−0.0164 (2)	0.00155 (17)
V5D	0.0259 (2)	0.01631 (18)	0.0335 (2)	−0.00060 (14)	−0.00775 (17)	−0.00146 (15)
O1D	0.0342 (9)	0.0253 (8)	0.0333 (9)	0.0041 (7)	−0.0042 (7)	−0.0009 (7)
O2D	0.0295 (9)	0.0200 (8)	0.0305 (8)	0.0030 (6)	−0.0059 (7)	−0.0031 (6)
O3D	0.0284 (9)	0.0260 (8)	0.0355 (9)	−0.0061 (7)	−0.0029 (7)	−0.0058 (7)
O4D	0.0456 (11)	0.0236 (9)	0.0413 (10)	−0.0019 (7)	−0.0095 (9)	−0.0040 (7)
O5D	0.0360 (9)	0.0288 (9)	0.0300 (9)	0.0004 (7)	−0.0040 (7)	−0.0016 (7)
O6D	0.0359 (9)	0.0247 (8)	0.0361 (9)	−0.0012 (7)	−0.0101 (8)	−0.0044 (7)
O7D	0.0630 (14)	0.0399 (11)	0.0343 (10)	−0.0052 (9)	−0.0111 (10)	−0.0053 (8)
O8D	0.0423 (10)	0.0296 (9)	0.0363 (10)	−0.0083 (8)	−0.0027 (8)	−0.0062 (7)
O9D	0.0511 (12)	0.0258 (9)	0.0540 (12)	−0.0027 (8)	−0.0286 (10)	−0.0032 (8)
O10D	0.0905 (18)	0.0325 (11)	0.0451 (12)	−0.0131 (11)	−0.0285 (12)	0.0046 (9)
O11D	0.0337 (9)	0.0207 (8)	0.0311 (9)	−0.0049 (7)	−0.0071 (7)	−0.0022 (6)
O12D	0.0338 (10)	0.0287 (9)	0.0433 (10)	−0.0045 (7)	−0.0174 (8)	0.0051 (7)
O13D	0.0337 (9)	0.0222 (8)	0.0400 (10)	−0.0035 (7)	0.0014 (8)	−0.0048 (7)
O14D	0.0230 (8)	0.0192 (7)	0.0345 (9)	0.0003 (6)	−0.0055 (7)	−0.0003 (6)
O15D	0.0251 (8)	0.0192 (7)	0.0365 (9)	0.0000 (6)	−0.0049 (7)	−0.0007 (6)
C1D	0.0315 (13)	0.0242 (12)	0.0387 (14)	0.0034 (10)	−0.0018 (11)	−0.0004 (10)
C2D	0.0322 (13)	0.0277 (12)	0.0290 (12)	0.0074 (10)	−0.0038 (10)	−0.0037 (9)
C3D	0.0346 (14)	0.0319 (13)	0.0414 (15)	0.0066 (10)	−0.0074 (12)	−0.0007 (11)
C4D	0.0466 (17)	0.0454 (16)	0.0371 (15)	0.0144 (13)	−0.0092 (13)	−0.0026 (12)
C5D	0.0557 (18)	0.0371 (15)	0.0336 (14)	0.0136 (13)	0.0025 (13)	0.0074 (11)
C6D	0.0467 (16)	0.0377 (15)	0.0345 (14)	0.0051 (12)	0.0039 (12)	0.0061 (11)
C7D	0.0388 (14)	0.0279 (12)	0.0346 (13)	0.0016 (10)	−0.0040 (11)	0.0020 (10)
C8D	0.0287 (13)	0.0403 (15)	0.0428 (15)	−0.0106 (11)	−0.0052 (12)	−0.0063 (12)
C9D	0.0366 (14)	0.0276 (13)	0.0437 (15)	−0.0085 (10)	0.0022 (12)	−0.0056 (11)
C10D	0.0365 (15)	0.0498 (18)	0.0572 (19)	−0.0104 (13)	0.0022 (14)	−0.0081 (14)
C11D	0.0441 (17)	0.0485 (18)	0.063 (2)	−0.0087 (14)	0.0126 (16)	−0.0039 (15)
C12D	0.080 (3)	0.0451 (19)	0.076 (3)	−0.0100 (17)	0.035 (2)	0.0056 (17)
C13D	0.084 (3)	0.0365 (17)	0.066 (2)	0.0102 (16)	0.024 (2)	0.0166 (15)
C14D	0.060 (2)	0.0258 (13)	0.0573 (19)	−0.0037 (13)	0.0160 (16)	−0.0005 (12)
C15D	0.0372 (14)	0.0358 (14)	0.0317 (13)	−0.0037 (11)	−0.0024 (11)	0.0021 (10)
C16D	0.0417 (15)	0.0358 (14)	0.0288 (13)	0.0000 (11)	0.0002 (11)	0.0012 (10)
C17D	0.0438 (16)	0.0444 (16)	0.0443 (16)	0.0042 (13)	−0.0009 (13)	−0.0020 (13)
C18D	0.0497 (18)	0.0423 (16)	0.0522 (18)	0.0044 (13)	0.0036 (15)	−0.0013 (13)
C19D	0.064 (2)	0.0405 (16)	0.0420 (16)	0.0034 (14)	0.0106 (15)	−0.0033 (13)
C20D	0.065 (2)	0.0416 (16)	0.0345 (14)	−0.0005 (14)	−0.0025 (14)	−0.0024 (12)
C21D	0.0524 (18)	0.0379 (15)	0.0368 (15)	0.0008 (13)	−0.0044 (13)	−0.0018 (12)
C22D	0.0340 (14)	0.0422 (15)	0.0446 (16)	0.0042 (11)	−0.0078 (12)	−0.0095 (12)
C23D	0.0362 (14)	0.0387 (14)	0.0332 (13)	−0.0055 (11)	−0.0065 (11)	−0.0010 (11)
C24D	0.0380 (16)	0.071 (2)	0.0429 (16)	−0.0048 (14)	−0.0097 (14)	−0.0071 (15)
C25D	0.0434 (17)	0.083 (3)	0.0405 (16)	−0.0163 (16)	−0.0112 (14)	−0.0087 (16)
C26D	0.076 (2)	0.060 (2)	0.0504 (19)	−0.0282 (18)	−0.0183 (18)	−0.0104 (16)
C27D	0.072 (2)	0.0395 (16)	0.0480 (18)	−0.0099 (15)	−0.0170 (16)	−0.0110 (13)
C28D	0.0503 (17)	0.0324 (14)	0.0356 (14)	−0.0097 (12)	−0.0104 (12)	−0.0042 (11)
C29D	0.0506 (17)	0.0342 (14)	0.0374 (14)	−0.0109 (12)	−0.0011 (13)	−0.0104 (11)
C30D	0.060 (2)	0.0430 (16)	0.0397 (16)	−0.0110 (14)	0.0051 (14)	−0.0066 (13)
C31D	0.060 (2)	0.082 (3)	0.052 (2)	−0.0127 (19)	0.0118 (18)	−0.0108 (18)
C32D	0.074 (3)	0.120 (4)	0.069 (3)	−0.040 (3)	0.010 (2)	−0.028 (3)
C33D	0.135 (5)	0.078 (3)	0.074 (3)	−0.054 (3)	0.024 (3)	−0.007 (2)
C34D	0.120 (4)	0.055 (2)	0.068 (3)	−0.025 (2)	0.021 (3)	0.0018 (19)
C35D	0.089 (3)	0.0462 (18)	0.0451 (18)	−0.0088 (18)	0.0099 (18)	−0.0006 (14)
C36D	0.081 (3)	0.0432 (18)	0.090 (3)	0.0029 (17)	−0.061 (2)	−0.0014 (18)
C37D	0.137 (4)	0.0344 (18)	0.088 (3)	−0.002 (2)	−0.065 (3)	−0.0003 (18)
C38D	0.114 (4)	0.060 (3)	0.110 (4)	0.009 (2)	−0.056 (3)	−0.018 (2)
C39D	0.113 (4)	0.106 (4)	0.083 (3)	−0.020 (3)	−0.052 (3)	0.018 (3)
C40D	0.113 (4)	0.126 (4)	0.064 (3)	−0.041 (3)	−0.025 (3)	−0.015 (3)
C41D	0.141 (5)	0.151 (6)	0.086 (4)	−0.040 (5)	−0.026 (4)	−0.008 (4)
C42D	0.168 (5)	0.053 (2)	0.078 (3)	−0.045 (3)	−0.062 (3)	0.027 (2)
C43D	0.0302 (13)	0.0269 (12)	0.0451 (15)	−0.0045 (10)	−0.0071 (11)	−0.0061 (11)
C44D	0.0351 (14)	0.0280 (13)	0.0562 (17)	−0.0068 (11)	0.0052 (13)	0.0002 (12)
C45D	0.0349 (15)	0.0322 (14)	0.0616 (19)	−0.0069 (11)	0.0075 (14)	0.0019 (13)
C46D	0.060 (2)	0.0411 (17)	0.066 (2)	−0.0172 (15)	0.0087 (17)	0.0004 (15)
C47D	0.0539 (18)	0.0204 (12)	0.0560 (18)	−0.0065 (11)	0.0019 (14)	−0.0005 (11)
C48D	0.0382 (15)	0.0278 (13)	0.0532 (17)	−0.0021 (11)	−0.0012 (13)	−0.0035 (12)
C49D	0.0367 (15)	0.0310 (14)	0.065 (2)	−0.0060 (11)	0.0024 (14)	0.0033 (13)
C50D	0.0326 (14)	0.0377 (15)	0.0531 (17)	−0.0097 (11)	−0.0195 (13)	0.0091 (12)
C51D	0.0319 (15)	0.0495 (17)	0.0595 (19)	−0.0008 (12)	−0.0138 (14)	0.0097 (14)
C52D	0.0433 (18)	0.069 (2)	0.058 (2)	−0.0030 (16)	−0.0053 (16)	0.0174 (17)
C53D	0.049 (2)	0.087 (3)	0.061 (2)	0.0113 (19)	−0.0029 (18)	−0.004 (2)
C54D	0.0442 (18)	0.055 (2)	0.071 (2)	0.0105 (15)	−0.0057 (17)	−0.0063 (17)
C55D	0.0491 (19)	0.0418 (18)	0.092 (3)	0.0040 (14)	−0.0108 (19)	0.0075 (17)
C56D	0.0385 (16)	0.0431 (17)	0.072 (2)	0.0032 (13)	−0.0069 (16)	0.0114 (15)
C57D	0.0251 (12)	0.0232 (11)	0.0375 (13)	0.0004 (9)	−0.0025 (10)	−0.0019 (9)
C58D	0.0286 (13)	0.0262 (12)	0.0446 (15)	0.0007 (10)	−0.0074 (11)	−0.0032 (10)
C59D	0.0330 (14)	0.0461 (16)	0.0527 (17)	−0.0072 (12)	−0.0070 (13)	0.0007 (13)
C60D	0.0349 (15)	0.0477 (17)	0.069 (2)	−0.0111 (13)	−0.0111 (15)	−0.0057 (15)
C61D	0.0391 (16)	0.0481 (17)	0.0570 (19)	−0.0021 (13)	−0.0185 (14)	−0.0116 (14)
C62D	0.0441 (17)	0.0531 (18)	0.0443 (16)	−0.0045 (13)	−0.0127 (14)	−0.0029 (14)
C63D	0.0368 (15)	0.0409 (15)	0.0443 (16)	−0.0052 (12)	−0.0098 (13)	−0.0006 (12)
C64D	0.0233 (12)	0.0246 (12)	0.0466 (15)	0.0006 (9)	−0.0028 (11)	−0.0001 (10)
C65D	0.0300 (13)	0.0246 (12)	0.0422 (14)	0.0026 (10)	0.0020 (11)	−0.0004 (10)
C66D	0.0387 (16)	0.0430 (16)	0.0559 (18)	0.0088 (12)	0.0096 (14)	0.0027 (13)
C67D	0.065 (2)	0.067 (2)	0.0501 (19)	0.0144 (18)	0.0210 (18)	0.0026 (16)
C68D	0.091 (3)	0.064 (2)	0.0431 (18)	0.010 (2)	0.0039 (19)	−0.0137 (16)
C69D	0.057 (2)	0.057 (2)	0.0428 (17)	−0.0019 (15)	−0.0073 (15)	−0.0061 (14)
C70D	0.0384 (15)	0.0362 (14)	0.0388 (14)	−0.0028 (11)	−0.0031 (12)	−0.0066 (11)

Bond lengths (Å)

V1A—O1A	1.5923 (16)	V1C—O1C	1.5940 (16)
V1A—O3A	1.9702 (16)	V1C—O14C	1.9806 (16)
V1A—O14A	1.9743 (15)	V1C—O3C	1.9810 (15)
V1A—O15A	1.9950 (15)	V1C—O15C	1.9837 (16)
V1A—O2A	2.0003 (15)	V1C—O2C	1.9953 (15)
V1A—V5A	3.1077 (5)	V1C—V2C	3.1034 (5)
V1A—V2A	3.1293 (5)	V1C—V5C	3.1343 (5)
V2A—O4A	1.5882 (16)	V2C—O4C	1.5885 (16)
V2A—O5A	1.9716 (15)	V2C—O3C	1.9685 (15)
V2A—O3A	1.9854 (15)	V2C—O5C	1.9785 (15)
V2A—O6A	1.9927 (16)	V2C—O2C	1.9931 (15)
V2A—O2A	2.0051 (16)	V2C—O6C	2.0075 (15)
V2A—V3A	3.1099 (5)	V2C—V3C	3.1027 (5)
V3A—O7A	1.5873 (16)	V3C—O7C	1.5901 (15)
V3A—O9A	1.9790 (16)	V3C—O9C	1.9642 (15)
V3A—O6A	1.9875 (15)	V3C—O5C	1.9738 (15)
V3A—O8A	1.9897 (16)	V3C—O6C	1.9945 (15)
V3A—O5A	1.9922 (16)	V3C—O8C	2.0008 (15)
V3A—V4A	3.1184 (5)	V3C—V4C	3.1308 (5)
V4A—O10A	1.5895 (16)	V4C—O10C	1.5904 (15)
V4A—O12A	1.9720 (16)	V4C—O11C	1.9705 (15)
V4A—O8A	1.9734 (16)	V4C—O9C	1.9745 (15)
V4A—O9A	2.0003 (16)	V4C—O8C	2.0030 (15)
V4A—O11A	2.0092 (16)	V4C—O12C	2.0141 (15)
V4A—V5A	3.1067 (5)	V4C—V5C	3.0986 (5)
V5A—O13A	1.5908 (16)	V5C—O13C	1.5853 (16)
V5A—O12A	1.9555 (16)	V5C—O14C	1.9742 (15)
V5A—O14A	1.9803 (15)	V5C—O12C	1.9783 (15)
V5A—O11A	1.9971 (15)	V5C—O15C	1.9898 (16)
V5A—O15A	2.0007 (15)	V5C—O11C	2.0032 (16)
O2A—C1A	1.438 (3)	O2C—C1C	1.436 (3)
O3A—C8A	1.434 (3)	O3C—C8C	1.437 (3)
O5A—C15A	1.431 (3)	O5C—C15C	1.433 (3)
O6A—C22A	1.435 (3)	O6C—C22C	1.436 (2)
O8A—C29A	1.436 (3)	O8C—C29C	1.435 (3)
O9A—C36A	1.435 (3)	O9C—C36C	1.430 (3)
O11A—C43A	1.439 (3)	O11C—C43C	1.430 (3)
O12A—C50A	1.435 (3)	O12C—C50C	1.430 (3)
O14A—C57A	1.435 (2)	O14C—C57C	1.432 (3)
O15A—C64A	1.433 (3)	O15C—C64C	1.437 (3)
C1A—C2A	1.519 (3)	C1C—C2C	1.518 (3)
C1A—H1A1	0.99	C1C—H1C1	0.99
C1A—H1A2	0.99	C1C—H1C2	0.99
C2A—C3A	1.527 (3)	C2C—C7C	1.530 (3)
C2A—C7A	1.530 (3)	C2C—C3C	1.530 (3)
C2A—H2A	1	C2C—H2C	1
C3A—C4A	1.535 (4)	C3C—C4C	1.527 (3)
C3A—H3A1	0.99	C3C—H3C1	0.99
C3A—H3A2	0.99	C3C—H3C2	0.99
C4A—C5A	1.520 (5)	C4C—C5C	1.520 (4)
C4A—H4A1	0.99	C4C—H4C1	0.99
C4A—H4A2	0.99	C4C—H4C2	0.99
C5A—C6A	1.523 (4)	C5C—C6C	1.527 (4)
C5A—H5A1	0.99	C5C—H5C1	0.99
C5A—H5A2	0.99	C5C—H5C2	0.99
C6A—C7A	1.526 (3)	C6C—C7C	1.523 (3)
C6A—H6A1	0.99	C6C—H6C1	0.99
C6A—H6A2	0.99	C6C—H6C2	0.99
C7A—H7A1	0.99	C7C—H7C1	0.99
C7A—H7A2	0.99	C7C—H7C2	0.99
C8A—C9A	1.519 (3)	C8C—C9E	1.563 (5)
C8A—H8A1	0.99	C8C—H8C1	0.99
C8A—H8A2	0.99	C8C—H8C2	0.99
C9A—C14A	1.525 (3)	C9C—C14C	1.514 (11)
C9A—C10A	1.530 (3)	C9C—C10C	1.535 (7)
C9A—H9A	1	C9C—H9C	0.95
C10A—C11A	1.528 (4)	C10C—C11C	1.52 (2)
C10A—H10A	0.99	C10C—H10E	0.99
C10A—H10B	0.99	C10C—H10F	0.99
C11A—C12A	1.520 (4)	C11C—C12C	1.58 (3)
C11A—H11A	0.99	C11C—H11E	0.99
C11A—H11B	0.99	C11C—H11F	0.99
C12A—C13A	1.528 (4)	C12C—C13C	1.532 (8)
C12A—H12A	0.99	C12C—H12E	0.99
C12A—H12B	0.99	C12C—H12F	0.99
C13A—C14A	1.528 (3)	C13C—C14C	1.511 (13)
C13A—H13A	0.99	C13C—H13E	0.99
C13A—H13B	0.99	C13C—H13F	0.99
C14A—H14A	0.99	C14C—H14E	0.99
C14A—H14B	0.99	C14C—H14F	0.99
C15A—C16A	1.517 (3)	C9E—C14E	1.533 (10)
C15A—H15A	0.99	C9E—C10E	1.539 (6)
C15A—H15B	0.99	C9E—H9E	1
C16A—C21A	1.520 (4)	C10E—C11E	1.520 (7)
C16A—C17A	1.528 (4)	C10E—H10G	0.99
C16A—H16A	1	C10E—H10H	0.99
C17A—C18A	1.529 (4)	C13E—C14E	1.522 (9)
C17A—H17A	0.99	C13E—C12E	1.52 (2)
C17A—H17B	0.99	C13E—H13G	0.99
C18A—C19A	1.510 (5)	C13E—H13H	0.99
C18A—H18A	0.99	C12E—C11E	1.53 (2)
C18A—H18B	0.99	C12E—H12G	0.99
C19A—C20A	1.529 (5)	C12E—H12H	0.99
C19A—H19A	0.99	C11E—H11G	0.99
C19A—H19B	0.99	C11E—H11H	0.99
C20A—C21A	1.526 (4)	C14E—H14G	0.99
C20A—H20A	0.99	C14E—H14H	0.99
C20A—H20B	0.99	C15C—C16C	1.520 (3)
C21A—H21A	0.99	C15C—H15E	0.99
C21A—H21B	0.99	C15C—H15F	0.99
C22A—C23A	1.522 (3)	C16C—C17C	1.528 (4)
C22A—H22A	0.99	C16C—C21C	1.532 (4)
C22A—H22B	0.99	C16C—H16C	1
C23A—C28A	1.528 (3)	C17C—C18C	1.535 (5)
C23A—C24A	1.529 (3)	C17C—H17E	0.99
C23A—H23A	1	C17C—H17F	0.99
C24A—C25A	1.530 (4)	C18C—C19C	1.517 (6)
C24A—H24A	0.99	C18C—H18E	0.99
C24A—H24B	0.99	C18C—H18F	0.99
C25A—C26A	1.519 (4)	C19C—C20C	1.516 (5)
C25A—H25A	0.99	C19C—H19E	0.99
C25A—H25B	0.99	C19C—H19F	0.99
C26A—C27A	1.525 (4)	C20C—C21C	1.529 (4)
C26A—H26A	0.99	C20C—H20E	0.99
C26A—H26B	0.99	C20C—H20F	0.99
C27A—C28A	1.524 (3)	C21C—H21E	0.99
C27A—H27A	0.99	C21C—H21F	0.99
C27A—H27B	0.99	C22C—C23C	1.520 (3)
C28A—H28A	0.99	C22C—H22E	0.99
C28A—H28B	0.99	C22C—H22F	0.99
C29A—C30A	1.521 (3)	C23C—C28C	1.519 (3)
C29A—H29A	0.99	C23C—C24C	1.532 (3)
C29A—H29B	0.99	C23C—H23C	1
C30A—C31A	1.527 (3)	C24C—C25C	1.527 (4)
C30A—C35A	1.531 (3)	C24C—H24E	0.99
C30A—H30A	1	C24C—H24F	0.99
C31A—C32A	1.534 (4)	C25C—C26C	1.521 (5)
C31A—H31A	0.99	C25C—H25E	0.99
C31A—H31B	0.99	C25C—H25F	0.99
C32A—C33A	1.515 (4)	C26C—C27C	1.514 (4)
C32A—H32A	0.99	C26C—H26E	0.99
C32A—H32B	0.99	C26C—H26F	0.99
C33A—C34A	1.526 (4)	C27C—C28C	1.534 (3)
C33A—H33A	0.99	C27C—H27E	0.99
C33A—H33B	0.99	C27C—H27F	0.99
C34A—C35A	1.525 (3)	C28C—H28E	0.99
C34A—H34A	0.99	C28C—H28F	0.99
C34A—H34B	0.99	C29C—C30C	1.530 (3)
C35A—H35A	0.99	C29C—H29E	0.99
C35A—H35B	0.99	C29C—H29F	0.99
C36A—C37A	1.520 (3)	C30C—C31C	1.525 (3)
C36A—H36A	0.99	C30C—C35C	1.530 (3)
C36A—H36B	0.99	C30C—H30C	1
C37A—C42A	1.521 (3)	C31C—C32C	1.530 (4)
C37A—C38A	1.530 (3)	C31C—H31E	0.99
C37A—H37A	1	C31C—H31F	0.99
C38A—C39A	1.531 (4)	C32C—C33C	1.522 (4)
C38A—H38A	0.99	C32C—H32E	0.99
C38A—H38B	0.99	C32C—H32F	0.99
C39A—C40A	1.512 (5)	C33C—C34C	1.524 (4)
C39A—H39A	0.99	C33C—H33E	0.99
C39A—H39B	0.99	C33C—H33F	0.99
C40A—C41A	1.522 (5)	C34C—C35C	1.536 (4)
C40A—H40A	0.99	C34C—H34E	0.99
C40A—H40B	0.99	C34C—H34F	0.99
C41A—C42A	1.518 (4)	C35C—H35E	0.99
C41A—H41A	0.99	C35C—H35F	0.99
C41A—H41B	0.99	C36C—C37C	1.522 (3)
C42A—H42A	0.99	C36C—H36E	0.99
C42A—H42B	0.99	C36C—H36F	0.99
C43A—C44A	1.510 (3)	C37C—C42C	1.518 (4)
C43A—H43A	0.99	C37C—C38C	1.526 (3)
C43A—H43B	0.99	C37C—H37C	1
C44A—C49A	1.530 (3)	C38C—C39C	1.529 (4)
C44A—C45A	1.531 (3)	C38C—H38E	0.99
C44A—H44A	1	C38C—H38F	0.99
C45A—C46A	1.530 (4)	C39C—C40C	1.518 (5)
C45A—H45A	0.99	C39C—H39E	0.99
C45A—H45B	0.99	C39C—H39F	0.99
C46A—C47A	1.518 (4)	C40C—C41C	1.518 (4)
C46A—H46A	0.99	C40C—H40E	0.99
C46A—H46B	0.99	C40C—H40F	0.99
C47A—C48A	1.525 (4)	C41C—C42C	1.528 (4)
C47A—H47A	0.99	C41C—H41E	0.99
C47A—H47B	0.99	C41C—H41F	0.99
C48A—C49A	1.522 (4)	C42C—H42E	0.99
C48A—H48A	0.99	C42C—H42F	0.99
C48A—H48B	0.99	C43C—C44C	1.527 (3)
C49A—H49A	0.99	C43C—H43E	0.99
C49A—H49B	0.99	C43C—H43F	0.99
C50A—C51A	1.506 (3)	C44C—C45C	1.530 (4)
C50A—H50A	0.99	C44C—C49C	1.531 (4)
C50A—H50B	0.99	C44C—H44C	1
C51A—C56A	1.527 (4)	C45C—C46C	1.524 (4)
C51A—C52A	1.534 (3)	C45C—H45E	0.99
C51A—H51A	1	C45C—H45F	0.99
C52A—C53A	1.519 (4)	C46C—C47C	1.523 (5)
C52A—H52A	0.99	C46C—H46E	0.99
C52A—H52B	0.99	C46C—H46F	0.99
C53A—C54A	1.526 (5)	C47C—C48C	1.517 (5)
C53A—H53A	0.99	C47C—H47E	0.99
C53A—H53B	0.99	C47C—H47F	0.99
C54A—C55A	1.535 (4)	C48C—C49C	1.527 (4)
C54A—H54A	0.99	C48C—H48E	0.99
C54A—H54B	0.99	C48C—H48F	0.99
C55A—C56A	1.518 (4)	C49C—H49E	0.99
C55A—H55A	0.99	C49C—H49F	0.99
C55A—H55B	0.99	C50C—C51C	1.518 (3)
C56A—H56A	0.99	C50C—H50E	0.99
C56A—H56B	0.99	C50C—H50F	0.99
C57A—C58A	1.512 (3)	C51C—C56C	1.525 (4)
C57A—H57A	0.99	C51C—C52C	1.532 (3)
C57A—H57B	0.99	C51C—H51C	1
C58A—C63A	1.514 (4)	C52C—C53C	1.524 (4)
C58A—C59A	1.533 (4)	C52C—H52E	0.99
C58A—H58A	1	C52C—H52F	0.99
C59A—C60A	1.527 (5)	C53C—C54C	1.528 (4)
C59A—H59A	0.99	C53C—H53E	0.99
C59A—H59B	0.99	C53C—H53F	0.99
C60A—C61A	1.518 (5)	C54C—C55C	1.524 (4)
C60A—H60A	0.99	C54C—H54E	0.99
C60A—H60B	0.99	C54C—H54F	0.99
C61A—C62A	1.523 (5)	C55C—C56C	1.528 (4)
C61A—H61A	0.99	C55C—H55E	0.99
C61A—H61B	0.99	C55C—H55F	0.99
C62A—C63A	1.533 (4)	C56C—H56E	0.99
C62A—H62A	0.99	C56C—H56F	0.99
C62A—H62B	0.99	C57C—C58C	1.517 (3)
C63A—H63A	0.99	C57C—H57E	0.99
C63A—H63B	0.99	C57C—H57F	0.99
C64A—C65A	1.523 (3)	C58C—C63C	1.524 (4)
C64A—H64A	0.99	C58C—C59C	1.532 (3)
C64A—H64B	0.99	C58C—H58C	1
C65A—C70A	1.522 (3)	C59C—C60C	1.526 (4)
C65A—C66A	1.536 (3)	C59C—H59E	0.99
C65A—H65A	1	C59C—H59F	0.99
C66A—C67A	1.534 (4)	C60C—C61C	1.508 (5)
C66A—H66A	0.99	C60C—H60E	0.99
C66A—H66B	0.99	C60C—H60F	0.99
C67A—C68A	1.515 (4)	C61C—C62C	1.527 (5)
C67A—H67A	0.99	C61C—H61E	0.99
C67A—H67B	0.99	C61C—H61F	0.99
C68A—C69A	1.526 (4)	C62C—C63C	1.526 (4)
C68A—H68A	0.99	C62C—H62E	0.99
C68A—H68B	0.99	C62C—H62F	0.99
C69A—C70A	1.534 (3)	C63C—H63E	0.99
C69A—H69A	0.99	C63C—H63F	0.99
C69A—H69B	0.99	C64C—C65C	1.512 (3)
C70A—H70A	0.99	C64C—H64E	0.99
C70A—H70B	0.99	C64C—H64F	0.99
V1B—O1B	1.5899 (16)	C65C—C70C	1.526 (4)
V1B—O2B	1.9704 (16)	C65C—C66C	1.529 (4)
V1B—O15B	1.9853 (16)	C65C—H65C	1
V1B—O3B	1.9859 (16)	C66C—C67C	1.531 (4)
V1B—O14B	1.9966 (16)	C66C—H66E	0.99
V1B—V5B	3.0922 (5)	C66C—H66F	0.99
V1B—V2B	3.1371 (5)	C67C—C68C	1.514 (5)
V2B—O4B	1.5882 (16)	C67C—H67E	0.99
V2B—O6B	1.9807 (15)	C67C—H67F	0.99
V2B—O2B	1.9816 (15)	C68C—C69C	1.512 (5)
V2B—O3B	1.9898 (16)	C68C—H68E	0.99
V2B—O5B	1.9987 (16)	C68C—H68F	0.99
V2B—V3B	3.0872 (5)	C69C—C70C	1.532 (4)
V3B—O7B	1.5895 (15)	C69C—H69E	0.99
V3B—O5B	1.9720 (15)	C69C—H69F	0.99
V3B—O9B	1.9769 (15)	C70C—H70E	0.99
V3B—O8B	1.9964 (15)	C70C—H70F	0.99
V3B—O6B	2.0116 (16)	V1D—O1D	1.5892 (17)
V4B—O10B	1.5882 (16)	V1D—O3D	1.9621 (16)
V4B—O9B	1.9622 (16)	V1D—O14D	1.9812 (16)
V4B—O11B	1.9704 (15)	V1D—O2D	2.0086 (17)
V4B—O12B	2.0016 (15)	V1D—O15D	2.0093 (16)
V4B—O8B	2.0030 (15)	V1D—V2D	3.0961 (5)
V4B—V5B	3.0964 (5)	V1D—V5D	3.1314 (5)
V5B—O13B	1.5876 (16)	V2D—O4D	1.5872 (17)
V5B—O15B	1.9588 (16)	V2D—O2D	1.9846 (16)
V5B—O11B	1.9842 (15)	V2D—O5D	1.9863 (19)
V5B—O12B	1.9971 (15)	V2D—O6D	1.9874 (17)
V5B—O14B	1.9983 (15)	V2D—O3D	1.9919 (18)
O2B—C1B	1.434 (3)	V2D—V3D	3.1243 (6)
O3B—C8B	1.430 (3)	V3D—O7D	1.589 (2)
O5B—C15B	1.428 (3)	V3D—O6D	1.9721 (19)
O6B—C22B	1.432 (3)	V3D—O5D	1.9796 (17)
O8B—C29B	1.440 (3)	V3D—O8D	1.9858 (18)
O9B—C36B	1.429 (3)	V3D—O9D	1.998 (2)
O11B—C43B	1.433 (3)	V3D—V4D	3.1074 (6)
O12B—C50B	1.435 (3)	V4D—O10D	1.585 (2)
O14B—C57B	1.437 (3)	V4D—O8D	1.960 (2)
O15B—C64B	1.435 (3)	V4D—O12D	1.965 (2)
C1B—C2B	1.522 (3)	V4D—O9D	1.9942 (18)
C1B—H1B1	0.99	V4D—O11D	2.0148 (16)
C1B—H1B2	0.99	V4D—V5D	3.0988 (6)
C2B—C7B	1.524 (4)	V5D—O13D	1.5923 (17)
C2B—C3B	1.531 (3)	V5D—O14D	1.9705 (16)
C2B—H2B	1	V5D—O12D	1.9752 (17)
C3B—C4B	1.542 (4)	V5D—O11D	1.9936 (18)
C3B—H3B1	0.99	V5D—O15D	1.9954 (17)
C3B—H3B2	0.99	O2D—C1D	1.431 (3)
C4B—C5B	1.515 (6)	O3D—C8D	1.437 (3)
C4B—H4B1	0.99	O5D—C15D	1.427 (3)
C4B—H4B2	0.99	O6D—C22D	1.429 (3)
C5B—C6B	1.508 (5)	O8D—C29D	1.421 (3)
C5B—H5B1	0.99	O9D—C36D	1.438 (3)
C5B—H5B2	0.99	O11D—C43D	1.430 (3)
C6B—C7B	1.529 (4)	O12D—C50D	1.441 (3)
C6B—H6B1	0.99	O14D—C57D	1.434 (3)
C6B—H6B2	0.99	O15D—C64D	1.432 (3)
C7B—H7B1	0.99	C1D—C2D	1.516 (3)
C7B—H7B2	0.99	C1D—H1D1	0.99
C8B—C9B	1.509 (3)	C1D—H1D2	0.99
C8B—H8B1	0.99	C2D—C7D	1.515 (4)
C8B—H8B2	0.99	C2D—C3D	1.533 (3)
C9B—C14B	1.529 (3)	C2D—H2D	1
C9B—C10B	1.539 (4)	C3D—C4D	1.524 (4)
C9B—H9B	1	C3D—H3D1	0.99
C10B—C11B	1.508 (4)	C3D—H3D2	0.99
C10B—H10C	0.99	C4D—C5D	1.528 (4)
C10B—H10D	0.99	C4D—H4D1	0.99
C11B—C12B	1.531 (4)	C4D—H4D2	0.99
C11B—H11C	0.99	C5D—C6D	1.529 (4)
C11B—H11D	0.99	C5D—H5D1	0.99
C12B—C13B	1.518 (4)	C5D—H5D2	0.99
C12B—H12C	0.99	C6D—C7D	1.522 (3)
C12B—H12D	0.99	C6D—H6D1	0.99
C13B—C14B	1.504 (4)	C6D—H6D2	0.99
C13B—H13C	0.99	C7D—H7D1	0.99
C13B—H13D	0.99	C7D—H7D2	0.99
C14B—H14C	0.99	C8D—C9D	1.516 (4)
C14B—H14D	0.99	C8D—H8D1	0.99
C15B—C16B	1.521 (3)	C8D—H8D2	0.99
C15B—H15C	0.99	C9D—C14D	1.527 (4)
C15B—H15D	0.99	C9D—C10D	1.531 (4)
C16B—C21B	1.532 (3)	C9D—H9D	1
C16B—C17B	1.534 (3)	C10D—C11D	1.522 (5)
C16B—H16B	1	C10D—H10I	0.99
C17B—C18B	1.528 (4)	C10D—H10J	0.99
C17B—H17C	0.99	C11D—C12D	1.521 (5)
C17B—H17D	0.99	C11D—H11I	0.99
C18B—C19B	1.515 (5)	C11D—H11J	0.99
C18B—H18C	0.99	C12D—C13D	1.529 (5)
C18B—H18D	0.99	C12D—H12I	0.99
C19B—C20B	1.522 (5)	C12D—H12J	0.99
C19B—H19C	0.99	C13D—C14D	1.528 (5)
C19B—H19D	0.99	C13D—H13I	0.99
C20B—C21B	1.531 (4)	C13D—H13J	0.99
C20B—H20C	0.99	C14D—H14I	0.99
C20B—H20D	0.99	C14D—H14J	0.99
C21B—H21C	0.99	C15D—C16D	1.507 (4)
C21B—H21D	0.99	C15D—H15G	0.99
C22B—C23B	1.523 (3)	C15D—H15H	0.99
C22B—H22C	0.99	C16D—C21D	1.526 (4)
C22B—H22D	0.99	C16D—C17D	1.526 (4)
C23B—C28B	1.524 (3)	C16D—H16D	1
C23B—C24B	1.527 (3)	C17D—C18D	1.529 (4)
C23B—H23B	1	C17D—H17G	0.99
C24B—C25B	1.533 (4)	C17D—H17H	0.99
C24B—H24C	0.99	C18D—C19D	1.510 (4)
C24B—H24D	0.99	C18D—H18G	0.99
C25B—C26B	1.519 (5)	C18D—H18H	0.99
C25B—H25C	0.99	C19D—C20D	1.517 (5)
C25B—H25D	0.99	C19D—H19G	0.99
C26B—C27B	1.525 (4)	C19D—H19H	0.99
C26B—H26C	0.99	C20D—C21D	1.519 (4)
C26B—H26D	0.99	C20D—H20G	0.99
C27B—C28B	1.532 (3)	C20D—H20H	0.99
C27B—H27C	0.99	C21D—H21G	0.99
C27B—H27D	0.99	C21D—H21H	0.99
C28B—H28C	0.99	C22D—C23D	1.515 (4)
C28B—H28D	0.99	C22D—H22G	0.99
C29B—C30B	1.524 (3)	C22D—H22H	0.99
C29B—H29C	0.99	C23D—C28D	1.527 (4)
C29B—H29D	0.99	C23D—C24D	1.537 (4)
C30B—C35B	1.524 (3)	C23D—H23D	1
C30B—C31B	1.525 (4)	C24D—C25D	1.527 (4)
C30B—H30B	1	C24D—H24G	0.99
C31B—C32B	1.533 (4)	C24D—H24H	0.99
C31B—H31C	0.99	C25D—C26D	1.519 (5)
C31B—H31D	0.99	C25D—H25G	0.99
C32B—C33B	1.512 (5)	C25D—H25H	0.99
C32B—H32C	0.99	C26D—C27D	1.519 (5)
C32B—H32D	0.99	C26D—H26G	0.99
C33B—C34B	1.518 (5)	C26D—H26H	0.99
C33B—H33C	0.99	C27D—C28D	1.524 (4)
C33B—H33D	0.99	C27D—H27G	0.99
C34B—C35B	1.526 (4)	C27D—H27H	0.99
C34B—H34C	0.99	C28D—H28G	0.99
C34B—H34D	0.99	C28D—H28H	0.99
C35B—H35C	0.99	C29D—C30D	1.533 (4)
C35B—H35D	0.99	C29D—H29G	0.99
C36B—C37B	1.519 (3)	C29D—H29H	0.99
C36B—H36C	0.99	C30D—C31D	1.518 (5)
C36B—H36D	0.99	C30D—C35D	1.540 (5)
C37B—C38B	1.522 (4)	C30D—H30D	1
C37B—C42B	1.529 (4)	C31D—C32D	1.540 (6)
C37B—H37B	1	C31D—H31G	0.99
C38B—C39B	1.523 (4)	C31D—H31H	0.99
C38B—H38C	0.99	C32D—C33D	1.513 (7)
C38B—H38D	0.99	C32D—H32G	0.99
C39B—C40B	1.537 (5)	C32D—H32H	0.99
C39B—H39C	0.99	C33D—C34D	1.506 (7)
C39B—H39D	0.99	C33D—H33G	0.99
C40B—C41B	1.517 (5)	C33D—H33H	0.99
C40B—H40C	0.99	C34D—C35D	1.509 (5)
C40B—H40D	0.99	C34D—H34G	0.99
C41B—C42B	1.525 (4)	C34D—H34H	0.99
C41B—H41C	0.99	C35D—H35G	0.99
C41B—H41D	0.99	C35D—H35H	0.99
C42B—H42C	0.99	C36D—C37D	1.446 (6)
C42B—H42D	0.99	C36D—H36G	0.99
C43B—C44B	1.514 (3)	C36D—H36H	0.99
C43B—H43C	0.99	C37D—C42D	1.513 (7)
C43B—H43D	0.99	C37D—C38D	1.583 (6)
C44B—C45B	1.528 (4)	C37D—H37D	1
C44B—C49B	1.528 (4)	C38D—C39D	1.451 (6)
C44B—H44B	1	C38D—H38G	0.99
C45B—C46B	1.529 (5)	C38D—H38H	0.99
C45B—H45C	0.99	C39D—C40D	1.440 (6)
C45B—H45D	0.99	C39D—H39G	0.99
C46B—C47B	1.518 (6)	C39D—H39H	0.99
C46B—H46C	0.99	C40D—C41D	1.487 (7)
C46B—H46D	0.99	C40D—H40G	0.99
C47B—C48B	1.517 (5)	C40D—H40H	0.99
C47B—H47C	0.99	C41D—C42D	1.514 (7)
C47B—H47D	0.99	C41D—H41G	0.99
C48B—C49B	1.527 (4)	C41D—H41H	0.99
C48B—H48C	0.99	C42D—H42G	0.99
C48B—H48D	0.99	C42D—H42H	0.99
C49B—H49C	0.99	C43D—C44D	1.490 (4)
C49B—H49D	0.99	C43D—H43G	0.99
C50B—C51B	1.518 (3)	C43D—H43H	0.99
C50B—H50C	0.99	C44D—C49D	1.497 (4)
C50B—H50D	0.99	C44D—C45D	1.543 (4)
C51B—C56B	1.523 (4)	C44D—H44D	1
C51B—C52B	1.532 (3)	C45D—C46D	1.531 (4)
C51B—H51B	1	C45D—H45G	0.99
C52B—C53B	1.536 (4)	C45D—H45H	0.99
C52B—H52C	0.99	C46D—C47D	1.530 (5)
C52B—H52D	0.99	C46D—H46G	0.99
C53B—C54B	1.508 (5)	C46D—H46H	0.99
C53B—H53C	0.99	C47D—C48D	1.529 (4)
C53B—H53D	0.99	C47D—H47G	0.99
C54B—C55B	1.533 (4)	C47D—H47H	0.99
C54B—H54C	0.99	C48D—C49D	1.506 (4)
C54B—H54D	0.99	C48D—H48G	0.99
C55B—C56B	1.532 (3)	C48D—H48H	0.99
C55B—H55C	0.99	C49D—H49G	0.99
C55B—H55D	0.99	C49D—H49H	0.99
C56B—H56C	0.99	C50D—C51D	1.541 (4)
C56B—H56D	0.99	C50D—H50G	0.99
C57B—C58B	1.520 (3)	C50D—H50H	0.99
C57B—H57C	0.99	C51D—C56D	1.522 (4)
C57B—H57D	0.99	C51D—C52D	1.526 (4)
C58B—C63B	1.526 (3)	C51D—H51D	1
C58B—C59B	1.531 (3)	C52D—C53D	1.545 (5)
C58B—H58B	1	C52D—H52G	0.99
C59B—C60B	1.536 (4)	C52D—H52H	0.99
C59B—H59C	0.99	C53D—C54D	1.488 (5)
C59B—H59D	0.99	C53D—H53G	0.99
C60B—C61B	1.514 (5)	C53D—H53H	0.99
C60B—H60C	0.99	C54D—C55D	1.527 (5)
C60B—H60D	0.99	C54D—H54G	0.99
C61B—C62B	1.520 (4)	C54D—H54H	0.99
C61B—H61C	0.99	C55D—C56D	1.542 (4)
C61B—H61D	0.99	C55D—H55G	0.99
C62B—C63B	1.531 (3)	C55D—H55H	0.99
C62B—H62C	0.99	C56D—H56G	0.99
C62B—H62D	0.99	C56D—H56H	0.99
C63B—H63C	0.99	C57D—C58D	1.525 (3)
C63B—H63D	0.99	C57D—H57G	0.99
C64B—C65E	1.374 (7)	C57D—H57H	0.99
C64B—C65B	1.620 (6)	C58D—C63D	1.523 (4)
C64B—H64C	0.99	C58D—C59D	1.526 (4)
C64B—H64D	0.99	C58D—H58D	1
C65B—C70B	1.530 (7)	C59D—C60D	1.543 (4)
C65B—C66B	1.549 (7)	C59D—H59G	0.99
C65B—H65B	1	C59D—H59H	0.99
C66B—C67B	1.526 (7)	C60D—C61D	1.505 (5)
C66B—H66C	0.99	C60D—H60G	0.99
C66B—H66D	0.99	C60D—H60H	0.99
C67B—C68B	1.508 (9)	C61D—C62D	1.527 (4)
C67B—H67C	0.99	C61D—H61G	0.99
C67B—H67D	0.99	C61D—H61H	0.99
C68B—C69B	1.534 (7)	C62D—C63D	1.534 (4)
C68B—H68C	0.99	C62D—H62G	0.99
C68B—H68D	0.99	C62D—H62H	0.99
C69B—C70B	1.527 (6)	C63D—H63G	0.99
C69B—H69C	0.99	C63D—H63H	0.99
C69B—H69D	0.99	C64D—C65D	1.518 (4)
C70B—H70C	0.99	C64D—H64G	0.99
C70B—H70D	0.99	C64D—H64H	0.99
C65E—C66E	1.532 (9)	C65D—C70D	1.528 (4)
C65E—C70E	1.548 (9)	C65D—C66D	1.528 (4)
C65E—H65E	1	C65D—H65D	1
C66E—C67E	1.514 (8)	C66D—C67D	1.529 (5)
C66E—H66I	0.99	C66D—H66G	0.99
C66E—H66J	0.99	C66D—H66H	0.99
C67E—C68E	1.522 (10)	C67D—C68D	1.515 (6)
C67E—H67I	0.99	C67D—H67G	0.99
C67E—H67J	0.99	C67D—H67H	0.99
C68E—C69E	1.537 (9)	C68D—C69D	1.512 (5)
C68E—H68I	0.99	C68D—H68G	0.99
C68E—H68J	0.99	C68D—H68H	0.99
C69E—C70E	1.509 (8)	C69D—C70D	1.528 (4)
C69E—H69I	0.99	C69D—H69G	0.99
C69E—H69J	0.99	C69D—H69H	0.99
C70E—H70I	0.99	C70D—H70G	0.99
C70E—H70J	0.99	C70D—H70H	0.99