metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

12-Tungsto­phospho­ric acid–1,1′-methyl­enebis(imidazolidine-2,4-dione)–imidazolidine-2,4-dione–water (2/1/4/21.5)

aDepartment of Chemistry, Ferdowsi University of Mashhad, Mashhad, 91779, Iran
*Correspondence e-mail: irandokht_mohammadi@yahoo.com

(Received 26 April 2010; accepted 15 June 2010; online 23 June 2010)

In the asymmetric unit of the title organic–inorganic hybrid material, 2{H3[PW12O40]}·4C3H4N2O2·C7H8N4O4·21.5H2O, there are four crystallographically independent hydantoin mol­ecules, one dimerized hydantoin mol­ecule, viz. 1,1′-methyl­enebis(imidazolidine-2,4-dione, two independent H3PW12O40 mol­ecules and 21.5 solvent water mol­ecules. Nine of the solvent water mol­ecules were refined as 0.5 occupancy. The tungstophosphoric acid moieties show characteristic features with respect to the bond lengths and angles.

Related literature

For the medical applications of some hydantoin derivatives as anti­epileptic drugs, see: Micali et al. (1999[Micali, G., Linthicum, K. & Han, N. (1999). Pharmacotherapy, 19, 223-229.]. For the applications of polyoxometalates, see: Yanagie et al. (2006[Yanagie, H., Ogata, A., Mitsui, S., Hisa, T., Yamase, T. & Eriguchi, M. (2006). Biomed. Pharmacother. 60, 349-352]). For background to organic–inorganic hybrid materials, see: Guangzhe et al. (2008[Guangzhe, L., Chris, S. & Hirofumi, H. (2008). Solid State Sci. 10, 121-128.]). The heteropoly acid molecule (Keggin structure) consists of a central PO4 tetra­hedron surrounded by twelve WO6 octa­hedra, see: Keggin (1933[Keggin, J. F. (1933). Nature (London), 131, 908-909.]). For a related Keggin structure, see: Lebeden et al. (1969[Lebeden, R. S., Chumakova, R. P. & Yakimenko, V. I. (1969). Russ. Phys. J. 12, 781-786.]).

[Scheme 1]

Experimental

Crystal data
  • 2{H3[PW12O40]}·4C3H4N2O2·C7H8N4O4·21.5H2O

  • Mr = 6760.23

  • Triclinic, P 1

  • a = 12.7271 (6) Å

  • b = 13.3286 (7) Å

  • c = 18.9177 (9) Å

  • α = 71.328 (1)°

  • β = 81.316 (1)°

  • γ = 64.751 (1)°

  • V = 2749.3 (2) Å3

  • Z = 1

  • Mo Kα radiation

  • μ = 25.15 mm−1

  • T = 100 K

  • 0.31 × 0.17 × 0.08 mm

Data collection
  • Bruker SMART APEXII CCD diffractometer

  • Absorption correction: integration (SADABS; Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.031, Tmax = 0.215

  • 51543 measured reflections

  • 25728 independent reflections

  • 22772 reflections with I > 2σ(I)

  • Rint = 0.048

Refinement
  • R[F2 > 2σ(F2)] = 0.043

  • wR(F2) = 0.102

  • S = 1.01

  • 25728 reflections

  • 1577 parameters

  • 45 restraints

  • H-atom parameters constrained

  • Δρmax = 2.44 e Å−3

  • Δρmin = −1.32 e Å−3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 12649 Friedel pairs

  • Flack parameter: 0.492 (11)

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supporting information


Comment top

Hydantions, are biologically active compounds. The profound interest in different hydantoin derivatives stems from the well established medical applications of some Hydantoin derivatives as antiepileptic drugs (Micali et al., 1999). Polyoxometalates (POMs) have been attracting extensive interest in solid-state materials chemistry due to their potential applications in medicine, as well as the richness of their structures (Yanagie et al., 2006). Recently, an important advance in polyoxometalate chemistry is the modification of polyoxometalates with various organic ligands and transition metal complexes to obtain organic–inorganic hybrid materials (Guangzhe et al., 2008). Here we report the crystal structure the title hybrid containing hydantoin.

The title compound consists of hydantoin and a dimerized species of hydantoin which crystallize with H3[PW12O40] and 21.5 solvent water molecules. The asymmetric unit contains two independent H3[PW12O40] molecules (labeled with A and B in Figs. 1 & 2). The [PW12O40]-3 anion (Keggin structure) consists of a central PO4 tetrahedron that surrounded by twelve WO6 octahedrons (Keggin, 1933). In molecule A of H3PW12O40, all W–Ot(terminal) bonds are essentially equal, ranging from 1.697 (13)–1.724 (12) Å (mean 1.709 Å). In molecule B these values are 1.684 (11)–1.736 (13) A° mean (1.710 Å). The P–O distances in the two independendent molecules of H3PW12O40 are equal within experimental error ranging from 1.519 (11)-1.556 (12) A° (mean 1.538 A°) for molecule A and in the range 1.526 (12)–1.537 (12) A° (mean 1.530 A°) for molecule B. These quantities are similar to the W–Ot and P–O distances of a related Keggin structure which are 1.7041 (11) and 1.5305 (11) A° (Lebeden et al., 1969). In the two independent molecules of H3PW12O40 the O—P—O angles are close to the ideal 109.5° based sp3 hybridization principles. The four independent molecules of hydantoin are shown in (Fig. 3). The pseudo-dimerized species of hydantoin is shown in (Fig. 4).

Related literature top

For the medical applications of some hydantoin derivatives as antiepileptic drugs, see: Micali et al. (1999. For the applications of polyoxometalates, see: Yanagie et al. (2006). For background to organic–inorganic hybrid materials, see: Guangzhe et al. (2008). The [PW12O40]-3 anion (Keggin structure) consists of a central PO4 tetrahedron surrounded by twelve WO6 octahedrons, see: Keggin (1933). For a related Keggin structure, see: Lebeden et al. (1969).

Experimental top

A solution of Hydantoin (0.06 g, 0.60 mmol) in 5 ml of 1.00 M HCl was added to a stirred solution of H3[PW12O40] (0.28 g, 0.10 mmol) in 10 ml H2O and stirred at room temperature for 2 h. After stirring, it was filtered. The filtrate was allowed to evaporate slowly at room temperature. Good-quality white prism crystals were obtained after 4 days which were filtered off and washed with water, then dried at ambient temperature.

Refinement top

Neither the hydrogen atoms of the water molecules not the hydrogen atoms in the two crystallographically independent H3W12PO40 molecules could be located and were not included in the refinement. These H atoms are included in the molecular formula. The hydrogen atoms in the organic molecules (four independent hydantoin molecules and the dimerized molecule) were placed geometrically [C-H = 0.99 & N-H = 0.88 Å] and refined in a riding-model approximation with the Uiso(H) parameters equal to 1.2Ueq(C,N). The crystals used was an inversion twin with the ratio of twin components being 0.492 (11):0.508 (11).

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of one independent molecule [A] of H3[PW12O40] with 50% displacement ellipsoids. H atoms were not located.
[Figure 2] Fig. 2. The molecular structure of the other independent molecule [B] of H3[PW12O40] with 50% displacement ellipsoids. H atoms were not located.
[Figure 3] Fig. 3. Four crystallographically independent molecules of Hydantoin. Thermal ellipsoids are drawn at the 50% probability level.
[Figure 4] Fig. 4. The dimerized molecule of hydantoin. Thermal ellipsoids are given at the 50% probability level.
12-Tungstophosphoric acid–1,1'-methylenebis(imidazolidine-2,4-dione–imidazolidine-2,4-dione)–water (2/1/4/21.5) top
Crystal data top
2{H3[PW12O40]}·4C3H4N2O2·C7H8N4O4·21.5H2OZ = 1
Mr = 6760.23F(000) = 2985
Triclinic, P1Dx = 4.083 Mg m3
Hall symbol: P 1Mo Kα radiation, λ = 0.71073 Å
a = 12.7271 (6) ÅCell parameters from 5550 reflections
b = 13.3286 (7) Åθ = 2.3–27.8°
c = 18.9177 (9) ŵ = 25.15 mm1
α = 71.328 (1)°T = 100 K
β = 81.316 (1)°Prism, colourless
γ = 64.751 (1)°0.31 × 0.17 × 0.08 mm
V = 2749.3 (2) Å3
Data collection top
Bruker SMART APEXII CCD
diffractometer
25728 independent reflections
Radiation source: fine-focus sealed tube22772 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.048
ϕ and ω scansθmax = 27.9°, θmin = 1.8°
Absorption correction: integration
(SADABS; Bruker, 2005)
h = 1616
Tmin = 0.031, Tmax = 0.215k = 1717
51543 measured reflectionsl = 2424
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.043H-atom parameters constrained
wR(F2) = 0.102 w = 1/[σ2(Fo2) + (0.0474P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.01(Δ/σ)max = 0.002
25728 reflectionsΔρmax = 2.44 e Å3
1577 parametersΔρmin = 1.32 e Å3
45 restraintsAbsolute structure: Flack (1983), 12649 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.492 (11)
Crystal data top
2{H3[PW12O40]}·4C3H4N2O2·C7H8N4O4·21.5H2Oγ = 64.751 (1)°
Mr = 6760.23V = 2749.3 (2) Å3
Triclinic, P1Z = 1
a = 12.7271 (6) ÅMo Kα radiation
b = 13.3286 (7) ŵ = 25.15 mm1
c = 18.9177 (9) ÅT = 100 K
α = 71.328 (1)°0.31 × 0.17 × 0.08 mm
β = 81.316 (1)°
Data collection top
Bruker SMART APEXII CCD
diffractometer
25728 independent reflections
Absorption correction: integration
(SADABS; Bruker, 2005)
22772 reflections with I > 2σ(I)
Tmin = 0.031, Tmax = 0.215Rint = 0.048
51543 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.043H-atom parameters constrained
wR(F2) = 0.102Δρmax = 2.44 e Å3
S = 1.01Δρmin = 1.32 e Å3
25728 reflectionsAbsolute structure: Flack (1983), 12649 Friedel pairs
1577 parametersAbsolute structure parameter: 0.492 (11)
45 restraints
Special details top

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

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
W1A0.53978 (5)0.04182 (6)0.09204 (4)0.02518 (14)
W2A0.49583 (6)0.05828 (6)0.29651 (4)0.02500 (13)
W3A0.79195 (5)0.15553 (6)0.21328 (4)0.02515 (14)
W4A0.66181 (5)0.23803 (6)0.02094 (4)0.02508 (14)
W5A0.39098 (5)0.31883 (6)0.10253 (4)0.02576 (14)
W6A0.35353 (5)0.21981 (6)0.30717 (4)0.02537 (14)
W7A0.59046 (5)0.03417 (6)0.41337 (4)0.02468 (13)
W8A0.88463 (5)0.05713 (6)0.32745 (4)0.02459 (13)
W9A0.91794 (5)0.03733 (6)0.13866 (4)0.02505 (14)
W10A0.76520 (5)0.33957 (6)0.14672 (4)0.02490 (13)
W11A0.49291 (5)0.42650 (6)0.22420 (4)0.02525 (14)
W12A0.72596 (5)0.24394 (6)0.33558 (4)0.02421 (13)
P1A0.6346 (4)0.1357 (4)0.2185 (3)0.0210 (7)
O1A0.5043 (10)0.0312 (11)0.0463 (6)0.027 (2)
O2A0.4792 (9)0.0003 (12)0.1913 (6)0.028 (3)
O3A0.6879 (10)0.0700 (11)0.1320 (7)0.030 (3)
O4A0.6155 (10)0.1218 (10)0.0163 (7)0.028 (2)
O5A0.4081 (9)0.1879 (11)0.0764 (6)0.028 (2)
O6A0.5818 (9)0.1684 (10)0.1433 (5)0.023 (2)
O7A0.4484 (11)0.1673 (11)0.3169 (7)0.033 (3)
O8A0.6589 (9)0.1396 (10)0.2741 (6)0.024 (2)
O9A0.3615 (9)0.0727 (11)0.3080 (7)0.028 (3)
O10A0.5461 (11)0.0725 (11)0.3930 (6)0.028 (2)
O11A0.5539 (9)0.0982 (9)0.2811 (6)0.022 (2)
O12A0.8423 (11)0.2951 (11)0.2089 (8)0.036 (3)
O13A0.8779 (9)0.1804 (10)0.2968 (6)0.025 (2)
O14A0.9038 (10)0.1018 (11)0.1500 (6)0.028 (3)
O15A0.7551 (9)0.0322 (10)0.2227 (6)0.025 (2)
O16A0.7020 (10)0.2876 (11)0.0693 (6)0.031 (3)
O17A0.5005 (10)0.3366 (12)0.0200 (6)0.030 (3)
O18A0.8050 (10)0.1118 (11)0.0641 (6)0.028 (2)
O19A0.6965 (10)0.3232 (11)0.0701 (7)0.027 (2)
O20A0.2635 (11)0.4191 (11)0.0612 (7)0.033 (3)
O21A0.3442 (10)0.2571 (11)0.2004 (6)0.029 (3)
O22A0.4415 (10)0.4046 (11)0.1427 (7)0.030 (3)
O23A0.2126 (10)0.2850 (11)0.3334 (7)0.027 (2)
O24A0.4353 (10)0.1437 (10)0.3981 (7)0.028 (2)
O25A0.4121 (10)0.3361 (11)0.2861 (7)0.028 (3)
O26A0.5979 (11)0.0109 (12)0.5079 (7)0.034 (3)
O27A0.7438 (9)0.0517 (10)0.3842 (6)0.024 (2)
O28A0.6340 (9)0.1624 (9)0.3880 (6)0.021 (2)
O29A0.9876 (10)0.1355 (11)0.3949 (7)0.031 (3)
O30A0.9759 (9)0.0293 (10)0.2398 (6)0.025 (2)
O31A0.8386 (9)0.0975 (9)0.3287 (6)0.024 (2)
O32A1.0446 (10)0.0166 (11)0.0883 (7)0.030 (3)
O33A0.8745 (9)0.1850 (9)0.1510 (6)0.023 (2)
O34A0.8409 (10)0.4202 (11)0.0987 (6)0.030 (3)
O35A0.6180 (9)0.4525 (11)0.1615 (6)0.027 (2)
O36A0.7991 (10)0.3118 (10)0.2481 (6)0.026 (2)
O37A0.6478 (10)0.2407 (10)0.2261 (7)0.028 (2)
O38A0.3997 (10)0.5648 (11)0.2237 (7)0.030 (3)
O39A0.5886 (9)0.3808 (10)0.3087 (7)0.027 (2)
O40A0.7763 (9)0.2702 (11)0.4045 (7)0.030 (3)
W1B0.28500 (6)0.89573 (6)0.78057 (4)0.02576 (14)
W2B0.00805 (6)1.06170 (6)0.67960 (4)0.02648 (14)
W3B0.28826 (6)1.00323 (6)0.57489 (4)0.02721 (14)
W4B0.45052 (6)0.61863 (6)0.77374 (4)0.02643 (14)
W5B0.18881 (6)0.68177 (6)0.86603 (4)0.02589 (14)
W6B0.08422 (6)0.84404 (6)0.76072 (4)0.02613 (14)
W7B0.07457 (5)0.94697 (6)0.57102 (4)0.02616 (14)
W8B0.20857 (5)0.88111 (6)0.47052 (4)0.02518 (14)
W9B0.46105 (5)0.72830 (6)0.56726 (4)0.02652 (14)
W10B0.36317 (6)0.49175 (6)0.65709 (4)0.02731 (14)
W11B0.10511 (6)0.54496 (6)0.75489 (4)0.02588 (14)
W12B0.10685 (6)0.64792 (6)0.56430 (4)0.02617 (14)
P1B0.1922 (4)0.7782 (5)0.6687 (3)0.0219 (8)
O1B0.3175 (10)0.9766 (11)0.8217 (7)0.029 (3)
O2B0.1302 (8)0.9866 (10)0.7499 (6)0.025 (2)
O3B0.3239 (10)0.9437 (11)0.6800 (6)0.027 (2)
O4B0.4279 (10)0.7579 (10)0.7941 (7)0.028 (2)
O5B0.2251 (9)0.8038 (10)0.8653 (6)0.023 (2)
O6B0.2535 (9)0.7532 (10)0.7399 (6)0.025 (2)
O7B0.0521 (10)1.2020 (11)0.6817 (7)0.031 (3)
O8B0.1325 (10)1.0612 (9)0.6062 (6)0.024 (2)
O9B0.0850 (10)0.9948 (11)0.7468 (7)0.030 (3)
O10B0.0791 (11)1.0705 (11)0.6024 (7)0.033 (3)
O11B0.0666 (10)0.8656 (10)0.6694 (6)0.025 (2)
O12B0.3202 (13)1.1247 (13)0.5464 (7)0.039 (3)
O13B0.2408 (10)1.0022 (10)0.4833 (6)0.024 (2)
O14B0.4367 (10)0.8791 (11)0.5611 (6)0.030 (3)
O15B0.2586 (10)0.8244 (11)0.6015 (6)0.027 (2)
O16B0.5857 (10)0.5264 (11)0.8097 (7)0.031 (3)
O17B0.3547 (10)0.5888 (10)0.8594 (7)0.028 (2)
O18B0.4851 (9)0.6866 (11)0.6707 (6)0.026 (2)
O19B0.4135 (11)0.5202 (11)0.7363 (6)0.029 (3)
O20B0.1599 (10)0.6306 (11)0.9581 (6)0.029 (3)
O21B0.0380 (10)0.7849 (10)0.8299 (7)0.028 (2)
O22B0.1703 (9)0.5737 (10)0.8247 (6)0.023 (2)
O23B0.1999 (10)0.8450 (12)0.8189 (7)0.031 (3)
O24B0.1492 (9)0.9040 (10)0.6667 (7)0.027 (2)
O25B0.0219 (9)0.6901 (11)0.7526 (7)0.028 (2)
O26B0.1882 (11)1.0139 (12)0.5104 (7)0.035 (3)
O27B0.0542 (9)0.9521 (11)0.5083 (6)0.026 (2)
O28B0.0162 (9)0.7889 (9)0.5745 (6)0.023 (2)
O29B0.1888 (10)0.9244 (11)0.3778 (6)0.029 (3)
O30B0.3732 (10)0.7856 (12)0.4814 (7)0.032 (3)
O31B0.1829 (9)0.7413 (11)0.5027 (6)0.027 (2)
O32B0.6004 (9)0.6773 (11)0.5336 (7)0.029 (3)
O33B0.4198 (10)0.5990 (11)0.5911 (7)0.029 (3)
O34B0.4721 (11)0.3607 (12)0.6525 (7)0.034 (3)
O35B0.2565 (10)0.4442 (10)0.7303 (7)0.028 (2)
O36B0.2576 (11)0.5220 (11)0.5830 (7)0.031 (3)
O37B0.1927 (10)0.6648 (9)0.6643 (7)0.027 (2)
O38B0.0547 (11)0.4455 (11)0.8109 (7)0.033 (3)
O39B0.0583 (9)0.5645 (10)0.6580 (6)0.027 (2)
O40B0.0542 (12)0.6090 (12)0.5041 (7)0.035 (3)
O11S0.5640 (12)0.9099 (13)0.7449 (8)0.041 (3)
O12S0.8214 (12)0.5389 (14)0.7586 (9)0.053 (4)
N11S0.6885 (14)0.7143 (15)0.7709 (9)0.038 (4)
H11A0.68070.69480.81980.045*
C12S0.6292 (15)0.8277 (19)0.7240 (12)0.039 (4)
N13S0.6611 (13)0.8208 (15)0.6528 (8)0.034 (3)
H13A0.63400.87910.61260.041*
C14S0.7414 (18)0.711 (2)0.6518 (12)0.048 (5)
H14A0.81590.71310.62880.057*
H14B0.71170.67770.62350.057*
C15S0.7572 (14)0.6404 (18)0.7329 (10)0.035 (4)
O21S0.2573 (10)0.0468 (12)0.1061 (7)0.037 (3)
O22S0.0405 (11)0.3550 (12)0.1969 (7)0.037 (3)
N21S0.1446 (14)0.2227 (15)0.1342 (9)0.038 (4)
H21A0.14770.26980.08980.045*
C22S0.1957 (12)0.1059 (17)0.1513 (10)0.030 (4)
N23S0.1727 (13)0.0582 (13)0.2205 (8)0.029 (3)
H23A0.19700.01660.24260.035*
C24S0.1022 (14)0.1475 (18)0.2538 (10)0.034 (4)
H24A0.14040.14170.29760.041*
H24B0.02560.14430.26950.041*
C25S0.0897 (13)0.2568 (18)0.1922 (11)0.033 (4)
O31S0.6244 (12)0.6492 (13)0.9293 (7)0.042 (3)
O32S0.2598 (12)0.8610 (13)1.0077 (7)0.041 (3)
N31S0.4519 (13)0.7778 (15)0.9624 (9)0.039 (4)
H31A0.46510.84090.94330.047*
C32S0.5303 (13)0.6685 (14)0.9602 (9)0.026 (3)
N33S0.4787 (15)0.5935 (17)0.9991 (9)0.043 (4)
H33A0.51090.51791.00730.052*
C34S0.3622 (15)0.6594 (17)1.0244 (11)0.037 (4)
H34A0.30230.64961.00280.044*
H34B0.35530.63461.07950.044*
C35S0.3507 (15)0.7751 (16)0.9983 (9)0.032 (4)
O41S0.7423 (11)0.8810 (12)0.9700 (7)0.037 (3)
O42S0.9170 (14)1.1328 (14)0.8526 (9)0.051 (4)
N41S0.8051 (14)1.0245 (14)0.8993 (9)0.037 (4)
H41A0.74331.07090.87180.045*
C42S0.8178 (19)0.9196 (19)0.9534 (10)0.040 (4)
N43S0.9293 (16)0.8672 (18)0.9850 (10)0.050 (5)
H43A0.95900.80111.01990.061*
C44S0.9844 (15)0.948 (2)0.9466 (13)0.044 (5)
H44A1.00630.97430.98320.053*
H44B1.05550.90920.91940.053*
C45S0.9028 (18)1.044 (2)0.8957 (14)0.050 (6)
O51S0.2438 (10)0.8084 (12)0.2496 (7)0.035 (3)
O52S0.1195 (13)0.6632 (15)0.1058 (8)0.047 (4)
N51S0.1783 (11)0.7587 (13)0.1615 (8)0.028 (3)
H51A0.18880.80900.12090.034*
C52S0.1986 (15)0.7530 (16)0.2332 (11)0.034 (4)
N53S0.1671 (12)0.6717 (14)0.2797 (8)0.030 (3)
C54S0.1341 (15)0.6151 (17)0.2409 (8)0.032 (4)
H54A0.05410.62050.25500.038*
H54B0.18810.53250.25080.038*
C55S0.1413 (14)0.6801 (15)0.1614 (9)0.029 (4)
O61S0.262 (2)0.3989 (18)0.4493 (10)0.072 (6)
O62S0.5802 (15)0.4843 (18)0.4446 (9)0.064 (5)
N61S0.4395 (18)0.4107 (17)0.4572 (11)0.052 (5)
H61A0.47730.34060.48630.062*
C62S0.322 (3)0.453 (3)0.4312 (15)0.063 (7)
N63S0.3002 (13)0.5580 (14)0.3869 (8)0.034 (3)
C64S0.3925 (17)0.5963 (16)0.3839 (10)0.035 (4)
H64A0.36640.66240.40500.042*
H64B0.42180.61820.33220.042*
C65S0.4819 (16)0.4899 (19)0.4316 (10)0.038 (4)
C71S0.1830 (16)0.6370 (18)0.3608 (11)0.039 (4)
H71A0.16010.70770.37640.047*
H71B0.12920.59990.38610.047*
O1W0.5503 (12)0.9421 (12)0.8854 (8)0.043 (3)
O2W0.4125 (12)0.8069 (12)0.1466 (8)0.041 (3)
O3W0.3800 (17)0.3375 (14)0.8981 (11)0.070 (6)
O4W0.9874 (11)0.5576 (11)0.0836 (7)0.039 (3)
O5W0.2477 (15)0.0725 (19)0.9631 (11)0.065 (5)
O6W0.9302 (13)0.4123 (13)0.3241 (8)0.046 (3)
O7W0.7473 (16)0.6829 (15)0.0709 (10)0.059 (4)
O8W0.6186 (14)0.7045 (18)0.1852 (10)0.066 (5)
O9W0.7353 (16)0.3242 (14)0.7712 (8)0.055 (4)
O10W0.6992 (16)0.5738 (18)0.3186 (10)0.073 (5)
O11W0.3862 (17)0.1428 (16)0.8723 (11)0.070 (5)
O12W0.1626 (15)0.3317 (18)0.9750 (9)0.064 (5)
O13W0.0175 (17)0.5272 (15)0.9526 (11)0.071 (5)
O14W0.6103 (16)0.161 (2)0.8070 (11)0.073 (5)
O15W0.9674 (18)0.531 (2)0.3885 (9)0.071 (5)
O16W0.7427 (18)0.332 (2)0.5480 (11)0.096 (8)
O17W0.8394 (18)0.473 (2)0.9142 (11)0.113 (10)
O18W0.992 (3)0.238 (3)0.4653 (15)0.047 (8)0.50
O19W0.774 (2)0.677 (2)0.4218 (15)0.037 (6)0.50
O20W0.001 (3)0.260 (3)0.9504 (16)0.047 (7)0.50
O21W0.759 (2)0.434 (2)0.6399 (13)0.033 (5)0.50
O22W0.082 (2)0.366 (3)0.503 (2)0.053 (9)0.50
O23W0.024 (3)0.423 (3)0.6304 (19)0.058 (10)0.50
O24W0.603 (3)0.200 (3)0.5587 (17)0.053 (7)0.50
O25W0.436 (3)0.141 (3)0.685 (2)0.066 (9)0.50
O26W0.086 (3)0.191 (3)0.840 (3)0.092 (16)0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
W1A0.0258 (3)0.0264 (3)0.0236 (3)0.0100 (3)0.0008 (2)0.0081 (3)
W2A0.0263 (3)0.0256 (3)0.0238 (3)0.0113 (3)0.0002 (2)0.0070 (3)
W3A0.0253 (3)0.0229 (3)0.0265 (3)0.0081 (3)0.0014 (2)0.0079 (3)
W4A0.0264 (3)0.0255 (3)0.0217 (3)0.0093 (3)0.0003 (2)0.0064 (3)
W5A0.0249 (3)0.0255 (3)0.0230 (3)0.0061 (3)0.0027 (2)0.0065 (3)
W6A0.0230 (3)0.0275 (3)0.0239 (3)0.0086 (3)0.0004 (2)0.0073 (3)
W7A0.0255 (3)0.0261 (3)0.0220 (3)0.0104 (3)0.0014 (2)0.0059 (3)
W8A0.0235 (3)0.0239 (3)0.0250 (3)0.0079 (3)0.0028 (2)0.0066 (3)
W9A0.0231 (3)0.0246 (3)0.0255 (3)0.0081 (3)0.0011 (2)0.0075 (3)
W10A0.0246 (3)0.0244 (3)0.0246 (3)0.0092 (3)0.0005 (2)0.0072 (3)
W11A0.0245 (3)0.0229 (3)0.0253 (3)0.0061 (3)0.0006 (2)0.0077 (3)
W12A0.0250 (3)0.0243 (3)0.0233 (3)0.0090 (3)0.0015 (2)0.0076 (3)
P1A0.0201 (16)0.0196 (18)0.0218 (18)0.0061 (14)0.0013 (13)0.0064 (15)
O1A0.037 (6)0.032 (7)0.018 (5)0.019 (5)0.007 (4)0.004 (5)
O2A0.023 (5)0.044 (7)0.021 (5)0.018 (5)0.003 (4)0.008 (5)
O3A0.029 (6)0.031 (7)0.026 (6)0.010 (5)0.004 (5)0.006 (5)
O4A0.034 (6)0.019 (6)0.026 (6)0.006 (5)0.003 (5)0.004 (5)
O5A0.022 (5)0.029 (6)0.029 (6)0.012 (5)0.003 (4)0.001 (5)
O6A0.025 (5)0.031 (6)0.010 (5)0.008 (5)0.001 (4)0.007 (4)
O7A0.039 (6)0.024 (6)0.044 (7)0.016 (5)0.004 (5)0.014 (5)
O8A0.020 (5)0.024 (6)0.027 (6)0.009 (5)0.005 (4)0.007 (5)
O9A0.021 (5)0.031 (6)0.033 (6)0.011 (5)0.006 (4)0.006 (5)
O10A0.038 (6)0.036 (7)0.018 (5)0.023 (5)0.002 (4)0.006 (5)
O11A0.024 (5)0.018 (5)0.025 (6)0.011 (4)0.001 (4)0.005 (4)
O12A0.036 (7)0.020 (6)0.047 (8)0.009 (5)0.006 (6)0.003 (6)
O13A0.019 (5)0.030 (6)0.023 (5)0.005 (5)0.003 (4)0.010 (5)
O14A0.027 (5)0.038 (7)0.017 (5)0.012 (5)0.003 (4)0.010 (5)
O15A0.016 (5)0.024 (6)0.029 (6)0.005 (4)0.001 (4)0.003 (5)
O16A0.033 (6)0.035 (7)0.020 (6)0.017 (5)0.000 (4)0.004 (5)
O17A0.025 (5)0.041 (7)0.023 (6)0.015 (5)0.009 (4)0.010 (5)
O18A0.028 (5)0.029 (6)0.021 (6)0.009 (5)0.005 (4)0.003 (5)
O19A0.030 (5)0.028 (6)0.023 (6)0.012 (5)0.000 (4)0.007 (5)
O20A0.039 (7)0.023 (6)0.027 (6)0.004 (5)0.011 (5)0.003 (5)
O21A0.030 (6)0.036 (7)0.018 (5)0.012 (5)0.004 (4)0.005 (5)
O22A0.022 (5)0.028 (6)0.031 (6)0.002 (5)0.005 (4)0.007 (5)
O23A0.026 (5)0.028 (6)0.031 (6)0.008 (5)0.002 (5)0.017 (5)
O24A0.035 (6)0.016 (5)0.029 (6)0.006 (5)0.003 (5)0.008 (5)
O25A0.030 (6)0.031 (7)0.028 (6)0.018 (5)0.010 (5)0.009 (5)
O26A0.034 (6)0.038 (7)0.039 (7)0.018 (6)0.002 (5)0.017 (6)
O27A0.021 (5)0.023 (6)0.019 (5)0.005 (4)0.005 (4)0.003 (4)
O28A0.022 (5)0.018 (5)0.026 (6)0.011 (4)0.001 (4)0.006 (4)
O29A0.032 (6)0.025 (6)0.028 (6)0.006 (5)0.009 (5)0.001 (5)
O30A0.016 (5)0.028 (6)0.028 (6)0.005 (4)0.005 (4)0.009 (5)
O31A0.025 (4)0.014 (4)0.026 (4)0.002 (3)0.001 (3)0.006 (3)
O32A0.025 (6)0.023 (6)0.043 (7)0.008 (5)0.011 (5)0.017 (6)
O33A0.020 (5)0.017 (5)0.026 (6)0.005 (4)0.003 (4)0.003 (4)
O34A0.030 (6)0.035 (7)0.023 (6)0.012 (5)0.005 (4)0.010 (5)
O35A0.023 (5)0.033 (7)0.019 (5)0.010 (5)0.005 (4)0.004 (5)
O36A0.037 (6)0.031 (6)0.011 (5)0.012 (5)0.004 (4)0.012 (5)
O37A0.032 (6)0.017 (5)0.036 (7)0.008 (5)0.002 (5)0.013 (5)
O38A0.026 (5)0.029 (6)0.025 (6)0.005 (5)0.009 (4)0.011 (5)
O39A0.023 (5)0.027 (6)0.033 (6)0.012 (5)0.001 (4)0.010 (5)
O40A0.020 (5)0.032 (7)0.038 (7)0.005 (5)0.000 (4)0.020 (6)
W1B0.0282 (3)0.0258 (3)0.0244 (3)0.0108 (3)0.0012 (2)0.0084 (3)
W2B0.0285 (3)0.0228 (3)0.0257 (3)0.0072 (3)0.0015 (2)0.0078 (3)
W3B0.0317 (3)0.0270 (3)0.0244 (3)0.0136 (3)0.0010 (2)0.0075 (3)
W4B0.0258 (3)0.0261 (3)0.0255 (3)0.0084 (3)0.0016 (2)0.0073 (3)
W5B0.0289 (3)0.0263 (3)0.0221 (3)0.0110 (3)0.0002 (2)0.0068 (3)
W6B0.0258 (3)0.0277 (4)0.0237 (3)0.0093 (3)0.0018 (2)0.0090 (3)
W7B0.0254 (3)0.0272 (3)0.0243 (3)0.0084 (3)0.0015 (2)0.0080 (3)
W8B0.0268 (3)0.0257 (3)0.0219 (3)0.0098 (3)0.0001 (2)0.0066 (3)
W9B0.0247 (3)0.0282 (4)0.0251 (3)0.0094 (3)0.0009 (2)0.0079 (3)
W10B0.0293 (3)0.0238 (3)0.0273 (3)0.0083 (3)0.0013 (3)0.0095 (3)
W11B0.0301 (3)0.0254 (3)0.0234 (3)0.0120 (3)0.0007 (2)0.0078 (3)
W12B0.0301 (3)0.0268 (3)0.0229 (3)0.0123 (3)0.0007 (2)0.0083 (3)
P1B0.0255 (17)0.0232 (19)0.0173 (18)0.0098 (15)0.0009 (14)0.0059 (15)
O1B0.035 (6)0.030 (7)0.025 (6)0.016 (5)0.001 (5)0.007 (5)
O2B0.014 (5)0.029 (6)0.023 (6)0.004 (4)0.001 (4)0.012 (5)
O3B0.038 (6)0.034 (7)0.015 (5)0.022 (6)0.001 (4)0.004 (5)
O4B0.029 (6)0.022 (6)0.034 (6)0.005 (5)0.001 (5)0.016 (5)
O5B0.029 (5)0.027 (6)0.020 (5)0.014 (5)0.003 (4)0.014 (5)
O6B0.019 (5)0.025 (6)0.028 (6)0.004 (4)0.007 (4)0.007 (5)
O7B0.034 (6)0.023 (6)0.029 (6)0.003 (5)0.001 (5)0.014 (5)
O8B0.032 (6)0.014 (5)0.018 (5)0.003 (5)0.001 (4)0.002 (4)
O9B0.030 (6)0.034 (7)0.026 (6)0.019 (5)0.003 (5)0.004 (5)
O10B0.039 (7)0.030 (7)0.029 (6)0.008 (5)0.011 (5)0.011 (5)
O11B0.035 (6)0.024 (6)0.021 (5)0.016 (5)0.003 (4)0.010 (5)
O12B0.060 (8)0.047 (8)0.019 (6)0.032 (7)0.000 (6)0.005 (6)
O13B0.032 (5)0.018 (5)0.020 (5)0.010 (4)0.000 (4)0.004 (4)
O14B0.027 (5)0.038 (7)0.026 (6)0.013 (5)0.003 (4)0.013 (5)
O15B0.032 (6)0.028 (6)0.021 (6)0.012 (5)0.002 (4)0.010 (5)
O16B0.028 (6)0.025 (6)0.038 (7)0.013 (5)0.011 (5)0.001 (5)
O17B0.032 (6)0.021 (6)0.029 (6)0.009 (5)0.001 (5)0.008 (5)
O18B0.019 (5)0.030 (6)0.023 (6)0.004 (5)0.001 (4)0.010 (5)
O19B0.039 (6)0.032 (7)0.021 (6)0.018 (6)0.003 (5)0.009 (5)
O20B0.035 (6)0.031 (7)0.023 (6)0.013 (5)0.001 (5)0.010 (5)
O21B0.028 (5)0.016 (5)0.036 (7)0.002 (5)0.002 (5)0.013 (5)
O22B0.027 (5)0.025 (6)0.021 (5)0.009 (5)0.006 (4)0.010 (5)
O23B0.032 (6)0.036 (7)0.033 (6)0.017 (6)0.010 (5)0.018 (6)
O24B0.022 (5)0.017 (5)0.036 (6)0.007 (4)0.001 (4)0.001 (5)
O25B0.024 (5)0.030 (6)0.033 (6)0.013 (5)0.001 (4)0.010 (5)
O26B0.030 (6)0.036 (7)0.033 (7)0.010 (6)0.007 (5)0.005 (6)
O27B0.027 (5)0.034 (7)0.013 (5)0.013 (5)0.005 (4)0.004 (5)
O28B0.022 (5)0.009 (5)0.032 (6)0.005 (4)0.001 (4)0.002 (4)
O29B0.036 (6)0.040 (7)0.016 (5)0.019 (6)0.001 (4)0.006 (5)
O30B0.030 (6)0.038 (7)0.024 (6)0.007 (5)0.001 (5)0.016 (5)
O31B0.021 (5)0.029 (6)0.024 (6)0.007 (5)0.000 (4)0.005 (5)
O32B0.013 (4)0.035 (6)0.031 (5)0.001 (4)0.007 (4)0.017 (5)
O33B0.029 (6)0.034 (7)0.025 (6)0.013 (5)0.006 (5)0.011 (5)
O34B0.038 (7)0.030 (7)0.026 (6)0.010 (6)0.001 (5)0.004 (5)
O35B0.029 (6)0.017 (6)0.033 (6)0.004 (5)0.002 (5)0.010 (5)
O36B0.036 (6)0.025 (6)0.028 (6)0.007 (5)0.002 (5)0.010 (5)
O37B0.037 (6)0.013 (5)0.031 (6)0.008 (5)0.006 (5)0.007 (5)
O38B0.034 (6)0.031 (7)0.033 (7)0.014 (5)0.007 (5)0.009 (5)
O39B0.022 (5)0.027 (6)0.024 (6)0.007 (5)0.003 (4)0.002 (5)
O40B0.048 (7)0.030 (7)0.025 (6)0.012 (6)0.012 (5)0.007 (5)
O11S0.047 (8)0.041 (8)0.037 (7)0.023 (7)0.002 (6)0.003 (6)
O12S0.027 (7)0.049 (10)0.069 (10)0.011 (7)0.003 (6)0.008 (8)
N11S0.040 (8)0.037 (9)0.024 (7)0.013 (7)0.005 (6)0.007 (7)
C12S0.025 (8)0.047 (12)0.059 (13)0.026 (8)0.003 (8)0.021 (10)
N13S0.039 (8)0.050 (10)0.015 (6)0.018 (8)0.002 (5)0.011 (7)
C14S0.039 (10)0.076 (17)0.047 (12)0.031 (11)0.005 (9)0.029 (12)
C15S0.022 (8)0.054 (12)0.038 (10)0.027 (9)0.002 (7)0.010 (9)
O21S0.027 (6)0.040 (8)0.038 (7)0.011 (6)0.000 (5)0.008 (6)
O22S0.034 (6)0.038 (8)0.037 (7)0.013 (6)0.007 (5)0.006 (6)
N21S0.041 (8)0.035 (9)0.031 (8)0.016 (7)0.004 (6)0.003 (7)
C22S0.013 (6)0.044 (10)0.040 (10)0.015 (7)0.012 (6)0.023 (8)
N23S0.047 (8)0.021 (7)0.020 (7)0.014 (6)0.007 (6)0.003 (6)
C24S0.024 (8)0.056 (12)0.026 (8)0.021 (8)0.003 (6)0.011 (8)
C25S0.016 (7)0.044 (11)0.047 (11)0.013 (7)0.002 (7)0.023 (9)
O31S0.048 (8)0.049 (9)0.028 (7)0.017 (7)0.010 (6)0.009 (6)
O32S0.042 (7)0.046 (8)0.025 (6)0.009 (6)0.004 (5)0.010 (6)
N31S0.039 (8)0.044 (10)0.034 (8)0.028 (8)0.015 (6)0.009 (7)
C32S0.020 (7)0.021 (8)0.028 (8)0.003 (6)0.011 (6)0.002 (6)
N33S0.043 (9)0.051 (11)0.032 (8)0.004 (8)0.000 (7)0.027 (8)
C34S0.029 (8)0.038 (10)0.043 (11)0.004 (8)0.008 (7)0.027 (9)
C35S0.038 (9)0.027 (9)0.027 (8)0.010 (7)0.020 (7)0.001 (7)
O41S0.041 (7)0.042 (8)0.030 (7)0.020 (6)0.012 (5)0.015 (6)
O42S0.063 (10)0.048 (9)0.048 (9)0.023 (8)0.021 (7)0.028 (8)
N41S0.041 (8)0.027 (8)0.033 (8)0.010 (7)0.006 (6)0.002 (7)
C42S0.055 (12)0.048 (12)0.020 (8)0.020 (10)0.009 (8)0.018 (8)
N43S0.046 (10)0.050 (12)0.033 (9)0.006 (9)0.000 (7)0.002 (8)
C44S0.023 (8)0.051 (13)0.067 (14)0.007 (8)0.007 (8)0.044 (12)
C45S0.037 (10)0.062 (15)0.065 (15)0.023 (11)0.023 (10)0.042 (13)
O51S0.030 (6)0.032 (7)0.042 (7)0.005 (5)0.002 (5)0.020 (6)
O52S0.057 (9)0.068 (11)0.042 (8)0.037 (8)0.001 (6)0.033 (8)
N51S0.027 (6)0.040 (8)0.022 (7)0.012 (6)0.002 (5)0.016 (6)
C52S0.030 (8)0.029 (9)0.042 (10)0.006 (7)0.003 (7)0.019 (8)
N53S0.032 (7)0.038 (8)0.025 (7)0.015 (6)0.001 (5)0.013 (6)
C54S0.038 (9)0.045 (11)0.014 (7)0.023 (8)0.005 (6)0.007 (7)
C55S0.024 (7)0.025 (8)0.022 (8)0.000 (6)0.003 (6)0.002 (7)
O61S0.121 (17)0.074 (13)0.048 (10)0.066 (13)0.042 (10)0.035 (10)
O62S0.061 (10)0.077 (13)0.036 (9)0.003 (9)0.017 (7)0.020 (9)
N61S0.067 (12)0.041 (11)0.044 (10)0.011 (10)0.007 (9)0.027 (9)
C62S0.087 (19)0.058 (17)0.046 (14)0.030 (15)0.019 (13)0.027 (13)
N63S0.040 (8)0.041 (9)0.020 (7)0.012 (7)0.005 (6)0.010 (7)
C64S0.051 (10)0.027 (9)0.020 (8)0.013 (8)0.001 (7)0.003 (7)
C65S0.034 (7)0.048 (9)0.023 (7)0.003 (6)0.015 (6)0.010 (6)
C71S0.038 (10)0.037 (11)0.036 (10)0.010 (9)0.004 (8)0.008 (8)
O1W0.037 (7)0.036 (8)0.054 (9)0.011 (6)0.009 (6)0.020 (7)
O2W0.045 (7)0.035 (7)0.043 (8)0.015 (6)0.008 (6)0.009 (6)
O3W0.096 (14)0.035 (9)0.085 (13)0.025 (9)0.053 (11)0.007 (9)
O4W0.044 (7)0.027 (7)0.044 (8)0.009 (6)0.014 (6)0.020 (6)
O5W0.052 (9)0.088 (14)0.073 (12)0.028 (10)0.006 (8)0.048 (11)
O6W0.047 (8)0.038 (8)0.045 (8)0.012 (7)0.003 (6)0.006 (7)
O7W0.067 (10)0.047 (10)0.059 (10)0.027 (9)0.017 (8)0.002 (8)
O8W0.047 (9)0.076 (13)0.072 (12)0.018 (9)0.018 (8)0.019 (10)
O9W0.086 (12)0.041 (9)0.039 (8)0.029 (9)0.006 (8)0.013 (7)
O10W0.064 (11)0.080 (14)0.061 (11)0.036 (11)0.002 (9)0.008 (10)
O11W0.074 (12)0.045 (10)0.075 (12)0.011 (9)0.008 (9)0.017 (9)
O12W0.059 (10)0.080 (13)0.043 (9)0.023 (10)0.022 (8)0.003 (9)
O13W0.085 (13)0.041 (10)0.078 (13)0.023 (10)0.004 (10)0.012 (9)
O14W0.055 (10)0.093 (16)0.065 (12)0.034 (11)0.003 (8)0.011 (11)
O15W0.090 (13)0.103 (16)0.046 (10)0.067 (13)0.000 (9)0.017 (10)
O16W0.077 (13)0.12 (2)0.059 (12)0.013 (13)0.039 (10)0.035 (13)
O17W0.068 (12)0.107 (19)0.056 (12)0.008 (12)0.003 (9)0.051 (12)
O18W0.062 (18)0.043 (17)0.041 (15)0.038 (15)0.041 (14)0.021 (13)
O19W0.034 (7)0.035 (7)0.034 (7)0.010 (5)0.008 (5)0.006 (5)
O20W0.049 (16)0.054 (19)0.044 (16)0.032 (15)0.001 (12)0.005 (14)
O21W0.040 (7)0.030 (7)0.028 (7)0.010 (5)0.003 (4)0.010 (5)
O22W0.022 (12)0.060 (19)0.10 (3)0.024 (13)0.032 (14)0.056 (19)
O23W0.07 (2)0.08 (2)0.07 (2)0.07 (2)0.056 (18)0.07 (2)
O24W0.059 (9)0.050 (9)0.047 (8)0.013 (5)0.000 (5)0.022 (5)
O25W0.070 (10)0.063 (10)0.062 (10)0.026 (6)0.001 (5)0.018 (5)
O26W0.030 (16)0.05 (2)0.18 (5)0.012 (15)0.01 (2)0.04 (3)
Geometric parameters (Å, º) top
W1A—O1A1.712 (11)W6B—O9B1.937 (13)
W1A—O4A1.897 (12)W6B—O11B2.430 (11)
W1A—O3A1.913 (12)W7B—O26B1.716 (12)
W1A—O5A1.919 (12)W7B—O27B1.886 (10)
W1A—O2A1.921 (11)W7B—O28B1.894 (10)
W1A—O6A2.460 (11)W7B—O10B1.898 (12)
W2A—O7A1.716 (11)W7B—O24B1.945 (11)
W2A—O9A1.898 (12)W7B—O11B2.434 (11)
W2A—O2A1.900 (11)W8B—O29B1.684 (11)
W2A—O8A1.941 (11)W8B—O13B1.918 (11)
W2A—O10A1.951 (11)W8B—O31B1.919 (12)
W2A—O11A2.417 (10)W8B—O27B1.920 (11)
W3A—O12A1.716 (13)W8B—O30B1.934 (12)
W3A—O8A1.870 (10)W8B—O15B2.446 (11)
W3A—O3A1.903 (11)W9B—O32B1.709 (10)
W3A—O13A1.919 (10)W9B—O14B1.865 (13)
W3A—O14A1.943 (11)W9B—O30B1.870 (12)
W3A—O15A2.403 (12)W9B—O18B1.890 (11)
W4A—O16A1.708 (11)W9B—O33B1.911 (12)
W4A—O19A1.891 (12)W9B—O15B2.432 (12)
W4A—O17A1.907 (12)W10B—O34B1.725 (13)
W4A—O4A1.908 (12)W10B—O33B1.893 (12)
W4A—O18A1.942 (11)W10B—O19B1.914 (11)
W4A—O6A2.445 (10)W10B—O36B1.917 (12)
W5A—O20A1.701 (12)W10B—O35B1.941 (12)
W5A—O5A1.880 (13)W10B—O37B2.426 (12)
W5A—O21A1.889 (11)W11B—O38B1.706 (12)
W5A—O22A1.905 (12)W11B—O22B1.872 (10)
W5A—O17A1.955 (11)W11B—O35B1.912 (11)
W5A—O6A2.436 (11)W11B—O25B1.912 (12)
W6A—O23A1.702 (11)W11B—O39B1.917 (11)
W6A—O24A1.895 (12)W11B—O37B2.433 (12)
W6A—O25A1.902 (11)W12B—O40B1.709 (12)
W6A—O9A1.915 (13)W12B—O31B1.898 (11)
W6A—O21A1.929 (11)W12B—O28B1.911 (11)
W6A—O11A2.445 (11)W12B—O36B1.924 (12)
W7A—O26A1.697 (13)W12B—O39B1.938 (11)
W7A—O24A1.886 (12)W12B—O37B2.435 (11)
W7A—O10A1.894 (12)P1B—O15B1.525 (12)
W7A—O27A1.897 (11)P1B—O11B1.526 (13)
W7A—O28A1.913 (10)P1B—O6B1.531 (11)
W7A—O11A2.418 (11)P1B—O37B1.537 (12)
W8A—O29A1.709 (11)O11S—C12S1.20 (3)
W8A—O31A1.895 (11)O12S—C15S1.22 (2)
W8A—O30A1.905 (11)N11S—C15S1.33 (3)
W8A—O27A1.930 (10)N11S—C12S1.42 (3)
W8A—O13A1.946 (12)N11S—H11A0.8800
W8A—O15A2.421 (11)C12S—N13S1.37 (3)
W9A—O32A1.705 (11)N13S—C14S1.39 (3)
W9A—O14A1.881 (13)N13S—H13A0.8800
W9A—O18A1.881 (11)C14S—C15S1.51 (3)
W9A—O33A1.887 (11)C14S—H14A0.9900
W9A—O30A1.942 (11)C14S—H14B0.9900
W9A—O15A2.426 (11)O21S—C22S1.29 (2)
W10A—O34A1.704 (12)O22S—C25S1.21 (2)
W10A—O35A1.887 (11)N21S—C25S1.31 (2)
W10A—O36A1.913 (10)N21S—C22S1.35 (2)
W10A—O19A1.914 (12)N21S—H21A0.8800
W10A—O33A1.916 (11)C22S—N23S1.31 (2)
W10A—O37A2.442 (12)N23S—C24S1.42 (2)
W11A—O38A1.713 (12)N23S—H23A0.8800
W11A—O22A1.909 (12)C24S—C25S1.51 (3)
W11A—O25A1.916 (11)C24S—H24A0.9900
W11A—O35A1.923 (10)C24S—H24B0.9900
W11A—O39A1.933 (11)O31S—C32S1.21 (2)
W11A—O37A2.412 (12)O32S—C35S1.27 (2)
W12A—O40A1.724 (12)N31S—C35S1.37 (2)
W12A—O28A1.892 (10)N31S—C32S1.38 (2)
W12A—O39A1.896 (12)N31S—H31A0.8800
W12A—O31A1.897 (11)C32S—N33S1.38 (3)
W12A—O36A1.928 (11)N33S—C34S1.46 (2)
W12A—O37A2.449 (12)N33S—H33A0.8800
P1A—O6A1.519 (11)C34S—C35S1.41 (3)
P1A—O37A1.529 (12)C34S—H34A0.9900
P1A—O11A1.549 (11)C34S—H34B0.9900
P1A—O15A1.556 (12)O41S—C42S1.23 (2)
W1B—O1B1.718 (12)O42S—C45S1.28 (3)
W1B—O3B1.865 (11)N41S—C45S1.36 (3)
W1B—O2B1.882 (10)N41S—C42S1.40 (3)
W1B—O4B1.933 (12)N41S—H41A0.8800
W1B—O5B1.954 (11)C42S—N43S1.42 (3)
W1B—O6B2.458 (12)N43S—C44S1.47 (3)
W2B—O7B1.703 (12)N43S—H43A0.8800
W2B—O9B1.880 (11)C44S—C45S1.42 (3)
W2B—O2B1.907 (10)C44S—H44A0.9900
W2B—O10B1.909 (11)C44S—H44B0.9900
W2B—O8B1.942 (11)O51S—C52S1.24 (2)
W2B—O11B2.458 (11)O52S—C55S1.24 (2)
W3B—O12B1.736 (13)N51S—C55S1.32 (2)
W3B—O8B1.873 (11)N51S—C52S1.39 (2)
W3B—O13B1.925 (11)N51S—H51A0.8800
W3B—O3B1.936 (10)C52S—N53S1.33 (2)
W3B—O14B1.958 (12)N53S—C54S1.42 (2)
W3B—O15B2.454 (12)N53S—C71S1.47 (2)
W4B—O16B1.717 (11)C54S—C55S1.49 (2)
W4B—O4B1.909 (11)C54S—H54A0.9900
W4B—O19B1.914 (12)C54S—H54B0.9900
W4B—O17B1.917 (12)O61S—C62S1.21 (3)
W4B—O18B1.940 (11)O62S—C65S1.28 (3)
W4B—O6B2.414 (10)N61S—C65S1.31 (3)
W5B—O20B1.701 (12)N61S—C62S1.46 (4)
W5B—O5B1.867 (11)N61S—H61A0.8800
W5B—O21B1.894 (11)C62S—N63S1.31 (3)
W5B—O17B1.948 (12)N63S—C64S1.45 (2)
W5B—O22B1.951 (11)N63S—C71S1.46 (2)
W5B—O6B2.429 (12)C64S—C65S1.49 (3)
W6B—O23B1.698 (11)C64S—H64A0.9900
W6B—O24B1.859 (12)C64S—H64B0.9900
W6B—O25B1.908 (12)C71S—H71A0.9900
W6B—O21B1.913 (12)C71S—H71B0.9900
O1A—W1A—O4A102.7 (5)O19B—W4B—O6B83.8 (5)
O1A—W1A—O3A101.8 (6)O17B—W4B—O6B73.5 (4)
O4A—W1A—O3A89.5 (5)O18B—W4B—O6B83.5 (4)
O1A—W1A—O5A103.5 (5)O20B—W5B—O5B102.0 (5)
O4A—W1A—O5A86.1 (5)O20B—W5B—O21B101.3 (6)
O3A—W1A—O5A154.6 (5)O5B—W5B—O21B91.8 (5)
O1A—W1A—O2A103.4 (5)O20B—W5B—O17B101.7 (5)
O4A—W1A—O2A154.0 (5)O5B—W5B—O17B88.3 (5)
O3A—W1A—O2A86.0 (5)O21B—W5B—O17B156.5 (5)
O5A—W1A—O2A87.1 (5)O20B—W5B—O22B101.3 (5)
O1A—W1A—O6A172.5 (5)O5B—W5B—O22B156.6 (5)
O4A—W1A—O6A72.0 (4)O21B—W5B—O22B85.8 (5)
O3A—W1A—O6A83.6 (5)O17B—W5B—O22B84.9 (5)
O5A—W1A—O6A71.3 (4)O20B—W5B—O6B172.5 (5)
O2A—W1A—O6A82.0 (4)O5B—W5B—O6B73.3 (4)
O7A—W2A—O9A104.5 (5)O21B—W5B—O6B84.9 (4)
O7A—W2A—O2A101.4 (6)O17B—W5B—O6B72.6 (4)
O9A—W2A—O2A89.9 (5)O22B—W5B—O6B83.3 (4)
O7A—W2A—O8A100.9 (5)O23B—W6B—O24B102.9 (6)
O9A—W2A—O8A154.7 (5)O23B—W6B—O25B101.2 (6)
O2A—W2A—O8A84.9 (5)O24B—W6B—O25B91.5 (5)
O7A—W2A—O10A103.1 (6)O23B—W6B—O21B101.7 (6)
O9A—W2A—O10A87.8 (5)O24B—W6B—O21B155.3 (5)
O2A—W2A—O10A155.3 (5)O25B—W6B—O21B84.9 (5)
O8A—W2A—O10A86.7 (5)O23B—W6B—O9B103.1 (6)
O7A—W2A—O11A173.6 (5)O24B—W6B—O9B86.9 (5)
O9A—W2A—O11A71.9 (4)O25B—W6B—O9B155.4 (5)
O2A—W2A—O11A84.1 (5)O21B—W6B—O9B86.4 (5)
O8A—W2A—O11A82.9 (4)O23B—W6B—O11B173.2 (5)
O10A—W2A—O11A71.8 (4)O24B—W6B—O11B72.4 (4)
O12A—W3A—O8A103.2 (6)O25B—W6B—O11B84.0 (4)
O12A—W3A—O3A102.8 (6)O21B—W6B—O11B82.9 (5)
O8A—W3A—O3A86.0 (5)O9B—W6B—O11B72.1 (4)
O12A—W3A—O13A99.9 (6)O26B—W7B—O27B103.5 (5)
O8A—W3A—O13A89.9 (5)O26B—W7B—O28B104.2 (6)
O3A—W3A—O13A157.2 (5)O27B—W7B—O28B86.3 (5)
O12A—W3A—O14A102.0 (6)O26B—W7B—O10B102.8 (6)
O8A—W3A—O14A154.8 (5)O27B—W7B—O10B89.9 (5)
O3A—W3A—O14A87.2 (5)O28B—W7B—O10B152.9 (5)
O13A—W3A—O14A87.1 (5)O26B—W7B—O24B102.5 (5)
O12A—W3A—O15A170.3 (5)O27B—W7B—O24B153.9 (5)
O8A—W3A—O15A83.7 (4)O28B—W7B—O24B86.1 (5)
O3A—W3A—O15A84.1 (5)O10B—W7B—O24B85.7 (5)
O13A—W3A—O15A73.1 (4)O26B—W7B—O11B171.8 (5)
O14A—W3A—O15A71.4 (5)O27B—W7B—O11B83.1 (4)
O16A—W4A—O19A102.6 (6)O28B—W7B—O11B80.9 (4)
O16A—W4A—O17A101.3 (5)O10B—W7B—O11B72.0 (4)
O19A—W4A—O17A91.3 (5)O24B—W7B—O11B71.0 (4)
O16A—W4A—O4A102.5 (6)O29B—W8B—O13B101.6 (5)
O19A—W4A—O4A154.7 (5)O29B—W8B—O31B102.9 (5)
O17A—W4A—O4A86.8 (5)O13B—W8B—O31B155.5 (5)
O16A—W4A—O18A102.9 (5)O29B—W8B—O27B102.6 (5)
O19A—W4A—O18A84.9 (5)O13B—W8B—O27B88.1 (5)
O17A—W4A—O18A155.7 (5)O31B—W8B—O27B85.5 (5)
O4A—W4A—O18A86.5 (5)O29B—W8B—O30B103.9 (6)
O16A—W4A—O6A172.4 (5)O13B—W8B—O30B87.3 (5)
O19A—W4A—O6A83.1 (4)O31B—W8B—O30B87.9 (5)
O17A—W4A—O6A73.3 (4)O27B—W8B—O30B153.5 (5)
O4A—W4A—O6A72.2 (4)O29B—W8B—O15B172.8 (5)
O18A—W4A—O6A82.4 (4)O13B—W8B—O15B73.3 (4)
O20A—W5A—O5A101.7 (5)O31B—W8B—O15B82.4 (4)
O20A—W5A—O21A103.2 (6)O27B—W8B—O15B82.6 (4)
O5A—W5A—O21A90.7 (5)O30B—W8B—O15B71.1 (4)
O20A—W5A—O22A103.5 (5)O32B—W9B—O14B101.2 (6)
O5A—W5A—O22A154.5 (5)O32B—W9B—O30B102.6 (5)
O21A—W5A—O22A87.5 (5)O14B—W9B—O30B89.5 (5)
O20A—W5A—O17A100.5 (6)O32B—W9B—O18B101.7 (5)
O5A—W5A—O17A85.0 (5)O14B—W9B—O18B88.7 (5)
O21A—W5A—O17A156.3 (5)O30B—W9B—O18B155.6 (5)
O22A—W5A—O17A86.6 (5)O32B—W9B—O33B103.7 (6)
O20A—W5A—O6A171.2 (5)O14B—W9B—O33B155.1 (5)
O5A—W5A—O6A72.4 (4)O30B—W9B—O33B86.0 (5)
O21A—W5A—O6A83.7 (4)O18B—W9B—O33B85.5 (5)
O22A—W5A—O6A82.1 (4)O32B—W9B—O15B172.3 (5)
O17A—W5A—O6A72.8 (4)O14B—W9B—O15B73.3 (4)
O23A—W6A—O24A104.4 (5)O30B—W9B—O15B72.4 (4)
O23A—W6A—O25A104.3 (5)O18B—W9B—O15B83.7 (4)
O24A—W6A—O25A90.0 (5)O33B—W9B—O15B82.0 (5)
O23A—W6A—O9A101.4 (5)O34B—W10B—O33B102.2 (6)
O24A—W6A—O9A87.6 (5)O34B—W10B—O19B102.3 (6)
O25A—W6A—O9A154.0 (5)O33B—W10B—O19B86.6 (5)
O23A—W6A—O21A102.8 (5)O34B—W10B—O36B102.4 (6)
O24A—W6A—O21A152.7 (5)O33B—W10B—O36B90.6 (5)
O25A—W6A—O21A85.6 (5)O19B—W10B—O36B155.2 (5)
O9A—W6A—O21A84.7 (5)O34B—W10B—O35B102.2 (5)
O23A—W6A—O11A171.1 (5)O33B—W10B—O35B155.4 (5)
O24A—W6A—O11A71.4 (4)O19B—W10B—O35B85.9 (5)
O25A—W6A—O11A83.7 (4)O36B—W10B—O35B86.5 (5)
O9A—W6A—O11A71.0 (4)O34B—W10B—O37B172.6 (5)
O21A—W6A—O11A81.4 (4)O33B—W10B—O37B83.6 (5)
O26A—W7A—O24A101.9 (6)O19B—W10B—O37B82.4 (5)
O26A—W7A—O10A102.6 (5)O36B—W10B—O37B72.8 (5)
O24A—W7A—O10A88.6 (5)O35B—W10B—O37B72.2 (4)
O26A—W7A—O27A102.4 (5)O38B—W11B—O22B101.6 (5)
O24A—W7A—O27A155.6 (5)O38B—W11B—O35B100.1 (6)
O10A—W7A—O27A87.5 (5)O22B—W11B—O35B89.8 (5)
O26A—W7A—O28A102.3 (5)O38B—W11B—O25B103.6 (5)
O24A—W7A—O28A87.1 (5)O22B—W11B—O25B86.0 (5)
O10A—W7A—O28A155.1 (5)O35B—W11B—O25B156.2 (5)
O27A—W7A—O28A86.4 (5)O38B—W11B—O39B102.2 (6)
O26A—W7A—O11A172.2 (5)O22B—W11B—O39B156.2 (5)
O24A—W7A—O11A72.1 (4)O35B—W11B—O39B87.4 (5)
O10A—W7A—O11A72.7 (4)O25B—W11B—O39B87.1 (5)
O27A—W7A—O11A83.7 (4)O38B—W11B—O37B171.0 (5)
O28A—W7A—O11A82.7 (4)O22B—W11B—O37B83.8 (4)
O29A—W8A—O31A103.4 (5)O35B—W11B—O37B72.5 (5)
O29A—W8A—O30A102.3 (5)O25B—W11B—O37B83.8 (4)
O31A—W8A—O30A89.5 (5)O39B—W11B—O37B72.8 (4)
O29A—W8A—O27A101.9 (5)O40B—W12B—O31B105.1 (6)
O31A—W8A—O27A86.3 (5)O40B—W12B—O28B104.2 (6)
O30A—W8A—O27A155.8 (4)O31B—W12B—O28B86.5 (5)
O29A—W8A—O13A100.8 (5)O40B—W12B—O36B100.1 (6)
O31A—W8A—O13A155.7 (5)O31B—W12B—O36B87.5 (5)
O30A—W8A—O13A87.7 (5)O28B—W12B—O36B155.7 (5)
O27A—W8A—O13A86.5 (5)O40B—W12B—O39B99.3 (6)
O29A—W8A—O15A171.6 (5)O31B—W12B—O39B155.5 (5)
O31A—W8A—O15A83.8 (4)O28B—W12B—O39B89.6 (5)
O30A—W8A—O15A73.1 (4)O36B—W12B—O39B86.3 (5)
O27A—W8A—O15A82.8 (4)O40B—W12B—O37B169.0 (5)
O13A—W8A—O15A72.3 (4)O31B—W12B—O37B83.0 (4)
O32A—W9A—O14A101.0 (5)O28B—W12B—O37B83.4 (4)
O32A—W9A—O18A102.8 (6)O36B—W12B—O37B72.5 (5)
O14A—W9A—O18A88.8 (5)O39B—W12B—O37B72.5 (4)
O32A—W9A—O33A103.0 (5)O15B—P1B—O11B110.4 (7)
O14A—W9A—O33A156.0 (5)O15B—P1B—O6B108.7 (7)
O18A—W9A—O33A86.3 (5)O11B—P1B—O6B110.7 (7)
O32A—W9A—O30A100.9 (5)O15B—P1B—O37B109.4 (7)
O14A—W9A—O30A87.1 (5)O11B—P1B—O37B108.8 (7)
O18A—W9A—O30A156.3 (5)O6B—P1B—O37B108.8 (7)
O33A—W9A—O30A88.1 (5)W1B—O2B—W2B154.2 (6)
O32A—W9A—O15A170.1 (5)W1B—O3B—W3B152.4 (6)
O14A—W9A—O15A71.8 (4)W4B—O4B—W1B125.6 (6)
O18A—W9A—O15A84.1 (4)W5B—O5B—W1B126.8 (6)
O33A—W9A—O15A84.3 (4)P1B—O6B—W4B126.7 (7)
O30A—W9A—O15A72.4 (4)P1B—O6B—W5B125.1 (6)
O34A—W10A—O35A103.1 (5)W4B—O6B—W5B89.6 (4)
O34A—W10A—O36A102.3 (5)P1B—O6B—W1B125.8 (7)
O35A—W10A—O36A88.3 (5)W4B—O6B—W1B89.1 (3)
O34A—W10A—O19A103.7 (5)W5B—O6B—W1B88.7 (4)
O35A—W10A—O19A87.2 (5)W3B—O8B—W2B152.5 (6)
O36A—W10A—O19A153.9 (5)W2B—O9B—W6B126.9 (7)
O34A—W10A—O33A102.5 (5)W7B—O10B—W2B127.9 (7)
O35A—W10A—O33A154.2 (5)P1B—O11B—W6B126.8 (6)
O36A—W10A—O33A89.2 (5)P1B—O11B—W7B127.0 (6)
O19A—W10A—O33A83.9 (5)W6B—O11B—W7B89.1 (4)
O34A—W10A—O37A172.5 (5)P1B—O11B—W2B124.5 (6)
O35A—W10A—O37A71.7 (4)W6B—O11B—W2B88.6 (4)
O36A—W10A—O37A72.6 (4)W7B—O11B—W2B88.7 (4)
O19A—W10A—O37A81.6 (4)W8B—O13B—W3B125.3 (6)
O33A—W10A—O37A83.1 (4)W9B—O14B—W3B126.5 (6)
O38A—W11A—O22A103.2 (5)P1B—O15B—W9B127.2 (7)
O38A—W11A—O25A102.7 (5)P1B—O15B—W8B126.0 (6)
O22A—W11A—O25A85.4 (5)W9B—O15B—W8B88.7 (4)
O38A—W11A—O35A101.5 (5)P1B—O15B—W3B125.6 (7)
O22A—W11A—O35A88.8 (5)W9B—O15B—W3B88.7 (4)
O25A—W11A—O35A155.8 (5)W8B—O15B—W3B88.3 (4)
O38A—W11A—O39A101.5 (5)W4B—O17B—W5B124.0 (6)
O22A—W11A—O39A155.3 (5)W9B—O18B—W4B151.3 (6)
O25A—W11A—O39A88.2 (5)W10B—O19B—W4B150.4 (7)
O35A—W11A—O39A87.3 (5)W5B—O21B—W6B152.0 (7)
O38A—W11A—O37A171.1 (5)W11B—O22B—W5B150.5 (6)
O22A—W11A—O37A82.8 (5)W6B—O24B—W7B127.4 (6)
O25A—W11A—O37A84.1 (5)W6B—O25B—W11B151.6 (6)
O35A—W11A—O37A71.8 (5)W7B—O27B—W8B152.6 (7)
O39A—W11A—O37A72.8 (5)W7B—O28B—W12B151.9 (6)
O40A—W12A—O28A103.9 (5)W9B—O30B—W8B127.4 (6)
O40A—W12A—O39A100.6 (5)W12B—O31B—W8B151.6 (7)
O28A—W12A—O39A89.3 (5)W10B—O33B—W9B152.6 (7)
O40A—W12A—O31A104.4 (5)W11B—O35B—W10B125.5 (6)
O28A—W12A—O31A85.4 (5)W10B—O36B—W12B125.4 (7)
O39A—W12A—O31A155.1 (5)P1B—O37B—W10B126.2 (7)
O40A—W12A—O36A101.2 (5)P1B—O37B—W11B126.2 (7)
O28A—W12A—O36A154.8 (5)W10B—O37B—W11B89.6 (4)
O39A—W12A—O36A87.4 (5)P1B—O37B—W12B124.6 (6)
O31A—W12A—O36A87.2 (5)W10B—O37B—W12B89.2 (4)
O40A—W12A—O37A170.4 (5)W11B—O37B—W12B89.4 (4)
O28A—W12A—O37A83.0 (4)W11B—O39B—W12B125.3 (6)
O39A—W12A—O37A72.5 (4)C15S—N11S—C12S112.8 (16)
O31A—W12A—O37A82.6 (4)C15S—N11S—H11A123.6
O36A—W12A—O37A72.2 (4)C12S—N11S—H11A123.6
O6A—P1A—O37A108.7 (7)O11S—C12S—N13S129 (2)
O6A—P1A—O11A109.0 (6)O11S—C12S—N11S125 (2)
O37A—P1A—O11A110.7 (7)N13S—C12S—N11S105.4 (18)
O6A—P1A—O15A108.8 (7)C12S—N13S—C14S111.8 (17)
O37A—P1A—O15A110.7 (7)C12S—N13S—H13A124.1
O11A—P1A—O15A109.1 (6)C14S—N13S—H13A124.1
W2A—O2A—W1A151.9 (6)N13S—C14S—C15S104.9 (17)
W3A—O3A—W1A150.8 (7)N13S—C14S—H14A110.8
W1A—O4A—W4A127.5 (7)C15S—C14S—H14A110.8
W5A—O5A—W1A127.9 (6)N13S—C14S—H14B110.8
P1A—O6A—W5A125.7 (6)C15S—C14S—H14B110.8
P1A—O6A—W4A126.5 (6)H14A—C14S—H14B108.8
W5A—O6A—W4A89.0 (3)O12S—C15S—N11S127.1 (19)
P1A—O6A—W1A126.7 (7)O12S—C15S—C14S128 (2)
W5A—O6A—W1A88.4 (3)N11S—C15S—C14S105.0 (18)
W4A—O6A—W1A88.2 (3)C25S—N21S—C22S111.3 (16)
W3A—O8A—W2A152.5 (7)C25S—N21S—H21A124.3
W2A—O9A—W6A127.6 (6)C22S—N21S—H21A124.3
W7A—O10A—W2A125.4 (6)O21S—C22S—N23S123.2 (18)
P1A—O11A—W2A126.1 (6)O21S—C22S—N21S125.8 (17)
P1A—O11A—W7A125.1 (6)N23S—C22S—N21S111.1 (15)
W2A—O11A—W7A89.9 (4)C22S—N23S—C24S108.6 (15)
P1A—O11A—W6A126.1 (6)C22S—N23S—H23A125.7
W2A—O11A—W6A89.4 (3)C24S—N23S—H23A125.7
W7A—O11A—W6A88.6 (4)N23S—C24S—C25S103.4 (14)
W3A—O13A—W8A124.3 (6)N23S—C24S—H24A111.1
W9A—O14A—W3A126.7 (6)C25S—C24S—H24A111.1
P1A—O15A—W3A126.5 (6)N23S—C24S—H24B111.1
P1A—O15A—W8A124.8 (7)C25S—C24S—H24B111.1
W3A—O15A—W8A90.2 (4)H24A—C24S—H24B109.1
P1A—O15A—W9A124.6 (6)O22S—C25S—N21S128 (2)
W3A—O15A—W9A90.1 (4)O22S—C25S—C24S126.3 (17)
W8A—O15A—W9A89.5 (3)N21S—C25S—C24S105.6 (17)
W4A—O17A—W5A124.8 (6)C35S—N31S—C32S111.1 (15)
W9A—O18A—W4A150.6 (7)C35S—N31S—H31A124.4
W4A—O19A—W10A154.2 (7)C32S—N31S—H31A124.4
W5A—O21A—W6A151.0 (7)O31S—C32S—N31S123.5 (16)
W5A—O22A—W11A151.1 (7)O31S—C32S—N33S130.1 (17)
W7A—O24A—W6A127.8 (7)N31S—C32S—N33S106.3 (14)
W6A—O25A—W11A152.6 (7)C32S—N33S—C34S109.5 (17)
W7A—O27A—W8A150.2 (7)C32S—N33S—H33A125.3
W12A—O28A—W7A152.7 (7)C34S—N33S—H33A125.3
W8A—O30A—W9A125.0 (5)C35S—C34S—N33S104.1 (17)
W8A—O31A—W12A153.0 (6)C35S—C34S—H34A110.9
W9A—O33A—W10A152.7 (6)N33S—C34S—H34A110.9
W10A—O35A—W11A127.0 (7)C35S—C34S—H34B110.9
W10A—O36A—W12A126.1 (6)N33S—C34S—H34B110.9
P1A—O37A—W11A126.3 (6)H34A—C34S—H34B109.0
P1A—O37A—W10A127.0 (7)O32S—C35S—N31S127.0 (17)
W11A—O37A—W10A89.3 (4)O32S—C35S—C34S124.1 (17)
P1A—O37A—W12A124.5 (7)N31S—C35S—C34S108.9 (16)
W11A—O37A—W12A89.0 (4)C45S—N41S—C42S109.8 (19)
W10A—O37A—W12A88.9 (4)C45S—N41S—H41A125.1
W12A—O39A—W11A125.6 (7)C42S—N41S—H41A125.1
O1B—W1B—O3B104.5 (5)O41S—C42S—N41S124 (2)
O1B—W1B—O2B104.7 (6)O41S—C42S—N43S126 (2)
O3B—W1B—O2B85.3 (5)N41S—C42S—N43S109.4 (18)
O1B—W1B—O4B101.4 (5)C42S—N43S—C44S104.6 (17)
O3B—W1B—O4B89.8 (5)C42S—N43S—H43A127.7
O2B—W1B—O4B153.9 (5)C44S—N43S—H43A127.7
O1B—W1B—O5B102.0 (5)C45S—C44S—N43S107.7 (16)
O3B—W1B—O5B153.5 (5)C45S—C44S—H44A110.2
O2B—W1B—O5B87.5 (5)N43S—C44S—H44A110.2
O4B—W1B—O5B85.6 (5)C45S—C44S—H44B110.2
O1B—W1B—O6B170.5 (5)N43S—C44S—H44B110.2
O3B—W1B—O6B82.5 (4)H44A—C44S—H44B108.5
O2B—W1B—O6B82.0 (4)O42S—C45S—N41S125 (2)
O4B—W1B—O6B71.9 (4)O42S—C45S—C44S127 (2)
O5B—W1B—O6B71.2 (4)N41S—C45S—C44S108 (2)
O7B—W2B—O9B103.9 (6)C55S—N51S—C52S112.3 (15)
O7B—W2B—O2B104.3 (5)C55S—N51S—H51A123.8
O9B—W2B—O2B91.1 (5)C52S—N51S—H51A123.8
O7B—W2B—O10B101.0 (6)O51S—C52S—N53S127.1 (18)
O9B—W2B—O10B86.3 (6)O51S—C52S—N51S126.2 (18)
O2B—W2B—O10B154.4 (5)N53S—C52S—N51S106.5 (15)
O7B—W2B—O8B101.8 (5)C52S—N53S—C54S111.7 (14)
O9B—W2B—O8B154.3 (5)C52S—N53S—C71S121.7 (15)
O2B—W2B—O8B84.2 (5)C54S—N53S—C71S126.1 (15)
O10B—W2B—O8B87.1 (5)N53S—C54S—C55S102.9 (14)
O7B—W2B—O11B171.4 (5)N53S—C54S—H54A111.2
O9B—W2B—O11B72.3 (5)C55S—C54S—H54A111.2
O2B—W2B—O11B83.6 (4)N53S—C54S—H54B111.2
O10B—W2B—O11B71.3 (5)C55S—C54S—H54B111.2
O8B—W2B—O11B82.1 (4)H54A—C54S—H54B109.1
O12B—W3B—O8B103.1 (6)O52S—C55S—N51S126.4 (16)
O12B—W3B—O13B102.2 (5)O52S—C55S—C54S127.3 (17)
O8B—W3B—O13B89.9 (5)N51S—C55S—C54S106.3 (14)
O12B—W3B—O3B102.8 (5)C65S—N61S—C62S111 (2)
O8B—W3B—O3B85.7 (5)C65S—N61S—H61A124.3
O13B—W3B—O3B155.0 (5)C62S—N61S—H61A124.3
O12B—W3B—O14B103.1 (6)O61S—C62S—N63S131 (3)
O8B—W3B—O14B153.7 (5)O61S—C62S—N61S124 (3)
O13B—W3B—O14B87.0 (5)N63S—C62S—N61S105 (2)
O3B—W3B—O14B86.1 (5)C62S—N63S—C64S113.7 (18)
O12B—W3B—O15B172.6 (5)C62S—N63S—C71S121 (2)
O8B—W3B—O15B82.7 (4)C64S—N63S—C71S123.1 (16)
O13B—W3B—O15B73.0 (4)N63S—C64S—C65S101.2 (15)
O3B—W3B—O15B82.0 (4)N63S—C64S—H64A111.5
O14B—W3B—O15B71.4 (4)C65S—C64S—H64A111.5
O16B—W4B—O4B102.0 (5)N63S—C64S—H64B111.5
O16B—W4B—O19B101.1 (6)C65S—C64S—H64B111.5
O4B—W4B—O19B156.9 (5)H64A—C64S—H64B109.4
O16B—W4B—O17B100.3 (5)O62S—C65S—N61S129 (2)
O4B—W4B—O17B88.5 (5)O62S—C65S—C64S123 (2)
O19B—W4B—O17B87.9 (5)N61S—C65S—C64S108.4 (17)
O16B—W4B—O18B103.0 (5)N63S—C71S—N53S115.7 (15)
O4B—W4B—O18B88.4 (5)N63S—C71S—H71A108.3
O19B—W4B—O18B86.0 (5)N53S—C71S—H71A108.4
O17B—W4B—O18B156.7 (5)N63S—C71S—H71B108.4
O16B—W4B—O6B172.0 (5)N53S—C71S—H71B108.3
O4B—W4B—O6B73.3 (4)H71A—C71S—H71B107.4
O7A—W2A—O2A—W1A126.1 (16)O17B—W5B—O5B—W1B71.1 (8)
O9A—W2A—O2A—W1A129.1 (16)O22B—W5B—O5B—W1B1.9 (17)
O8A—W2A—O2A—W1A26.0 (16)O6B—W5B—O5B—W1B1.2 (6)
O10A—W2A—O2A—W1A45 (3)O1B—W1B—O5B—W5B171.9 (7)
O11A—W2A—O2A—W1A57.3 (16)O3B—W1B—O5B—W5B9.4 (16)
O1A—W1A—O2A—W2A127.7 (16)O2B—W1B—O5B—W5B83.7 (8)
O4A—W1A—O2A—W2A54 (2)O4B—W1B—O5B—W5B71.2 (8)
O3A—W1A—O2A—W2A26.5 (16)O6B—W1B—O5B—W5B1.2 (6)
O5A—W1A—O2A—W2A129.0 (16)O15B—P1B—O6B—W4B60.5 (10)
O6A—W1A—O2A—W2A57.5 (16)O11B—P1B—O6B—W4B178.0 (7)
O12A—W3A—O3A—W1A130.6 (14)O37B—P1B—O6B—W4B58.5 (10)
O8A—W3A—O3A—W1A28.0 (14)O15B—P1B—O6B—W5B178.6 (7)
O13A—W3A—O3A—W1A52 (2)O11B—P1B—O6B—W5B57.1 (10)
O14A—W3A—O3A—W1A127.7 (15)O37B—P1B—O6B—W5B62.4 (9)
O15A—W3A—O3A—W1A56.2 (14)O15B—P1B—O6B—W1B60.3 (9)
O1A—W1A—O3A—W3A130.3 (14)O11B—P1B—O6B—W1B61.2 (9)
O4A—W1A—O3A—W3A126.8 (15)O37B—P1B—O6B—W1B179.3 (7)
O5A—W1A—O3A—W3A47 (2)O16B—W4B—O6B—P1B171 (3)
O2A—W1A—O3A—W3A27.5 (14)O4B—W4B—O6B—P1B134.8 (9)
O6A—W1A—O3A—W3A54.9 (14)O19B—W4B—O6B—P1B42.1 (9)
O1A—W1A—O4A—W4A170.9 (8)O17B—W4B—O6B—P1B131.7 (9)
O3A—W1A—O4A—W4A87.1 (8)O18B—W4B—O6B—P1B44.5 (8)
O5A—W1A—O4A—W4A67.9 (8)O16B—W4B—O6B—W5B35 (3)
O2A—W1A—O4A—W4A7.4 (17)O4B—W4B—O6B—W5B89.8 (5)
O6A—W1A—O4A—W4A3.7 (7)O19B—W4B—O6B—W5B93.3 (4)
O16A—W4A—O4A—W1A170.7 (8)O17B—W4B—O6B—W5B3.7 (4)
O19A—W4A—O4A—W1A16.5 (17)O18B—W4B—O6B—W5B179.9 (5)
O17A—W4A—O4A—W1A69.8 (8)O16B—W4B—O6B—W1B54 (3)
O18A—W4A—O4A—W1A86.9 (8)O4B—W4B—O6B—W1B1.1 (4)
O6A—W4A—O4A—W1A3.7 (7)O19B—W4B—O6B—W1B178.0 (4)
O20A—W5A—O5A—W1A172.2 (8)O17B—W4B—O6B—W1B92.4 (5)
O21A—W5A—O5A—W1A84.1 (8)O18B—W4B—O6B—W1B91.3 (5)
O22A—W5A—O5A—W1A1.4 (16)O20B—W5B—O6B—P1B174 (4)
O17A—W5A—O5A—W1A72.6 (8)O5B—W5B—O6B—P1B133.6 (9)
O6A—W5A—O5A—W1A1.0 (6)O21B—W5B—O6B—P1B40.2 (8)
O1A—W1A—O5A—W5A173.5 (7)O17B—W5B—O6B—P1B132.9 (9)
O4A—W1A—O5A—W5A71.3 (8)O22B—W5B—O6B—P1B46.1 (8)
O3A—W1A—O5A—W5A9.2 (16)O20B—W5B—O6B—W4B38 (4)
O2A—W1A—O5A—W5A83.5 (8)O5B—W5B—O6B—W4B89.9 (5)
O6A—W1A—O5A—W5A1.0 (6)O21B—W5B—O6B—W4B176.7 (5)
O37A—P1A—O6A—W5A61.9 (9)O17B—W5B—O6B—W4B3.6 (4)
O11A—P1A—O6A—W5A58.8 (9)O22B—W5B—O6B—W4B90.4 (4)
O15A—P1A—O6A—W5A177.6 (7)O20B—W5B—O6B—W1B51 (4)
O37A—P1A—O6A—W4A58.5 (10)O5B—W5B—O6B—W1B0.8 (4)
O11A—P1A—O6A—W4A179.1 (7)O21B—W5B—O6B—W1B94.2 (4)
O15A—P1A—O6A—W4A62.1 (9)O17B—W5B—O6B—W1B92.7 (4)
O37A—P1A—O6A—W1A178.6 (7)O22B—W5B—O6B—W1B179.5 (4)
O11A—P1A—O6A—W1A60.8 (9)O1B—W1B—O6B—P1B179 (3)
O15A—P1A—O6A—W1A58.0 (9)O3B—W1B—O6B—P1B43.2 (8)
O20A—W5A—O6A—P1A176 (3)O2B—W1B—O6B—P1B43.1 (8)
O5A—W5A—O6A—P1A135.2 (9)O4B—W1B—O6B—P1B135.4 (9)
O21A—W5A—O6A—P1A42.5 (8)O5B—W1B—O6B—P1B133.1 (9)
O22A—W5A—O6A—P1A45.9 (8)O1B—W1B—O6B—W4B45 (3)
O17A—W5A—O6A—P1A134.7 (9)O3B—W1B—O6B—W4B93.3 (5)
O20A—W5A—O6A—W4A40 (3)O2B—W1B—O6B—W4B179.6 (5)
O5A—W5A—O6A—W4A88.8 (4)O4B—W1B—O6B—W4B1.1 (4)
O21A—W5A—O6A—W4A178.5 (5)O5B—W1B—O6B—W4B90.4 (4)
O22A—W5A—O6A—W4A90.2 (5)O1B—W1B—O6B—W5B45 (3)
O17A—W5A—O6A—W4A1.3 (4)O3B—W1B—O6B—W5B177.1 (5)
O20A—W5A—O6A—W1A48 (3)O2B—W1B—O6B—W5B90.8 (4)
O5A—W5A—O6A—W1A0.6 (4)O4B—W1B—O6B—W5B90.7 (5)
O21A—W5A—O6A—W1A93.3 (4)O5B—W1B—O6B—W5B0.8 (4)
O22A—W5A—O6A—W1A178.3 (5)O12B—W3B—O8B—W2B124.8 (14)
O17A—W5A—O6A—W1A89.5 (5)O13B—W3B—O8B—W2B132.7 (15)
O16A—W4A—O6A—P1A180 (88)O3B—W3B—O8B—W2B22.6 (14)
O19A—W4A—O6A—P1A40.7 (8)O14B—W3B—O8B—W2B50 (2)
O17A—W4A—O6A—P1A134.2 (9)O15B—W3B—O8B—W2B59.8 (14)
O4A—W4A—O6A—P1A133.8 (9)O7B—W2B—O8B—W3B126.6 (14)
O18A—W4A—O6A—P1A45.1 (9)O9B—W2B—O8B—W3B57 (2)
O16A—W4A—O6A—W5A44 (4)O2B—W2B—O8B—W3B23.1 (14)
O19A—W4A—O6A—W5A94.8 (5)O10B—W2B—O8B—W3B132.8 (15)
O17A—W4A—O6A—W5A1.3 (4)O11B—W2B—O8B—W3B61.2 (14)
O4A—W4A—O6A—W5A90.7 (5)O7B—W2B—O9B—W6B169.0 (8)
O18A—W4A—O6A—W5A179.5 (5)O2B—W2B—O9B—W6B86.0 (8)
O16A—W4A—O6A—W1A44 (4)O10B—W2B—O9B—W6B68.5 (8)
O19A—W4A—O6A—W1A176.8 (5)O8B—W2B—O9B—W6B7.1 (17)
O17A—W4A—O6A—W1A89.7 (5)O11B—W2B—O9B—W6B3.0 (7)
O4A—W4A—O6A—W1A2.3 (4)O23B—W6B—O9B—W2B172.0 (8)
O18A—W4A—O6A—W1A91.0 (4)O24B—W6B—O9B—W2B69.5 (8)
O1A—W1A—O6A—P1A179 (3)O25B—W6B—O9B—W2B17.4 (17)
O4A—W1A—O6A—P1A133.6 (9)O21B—W6B—O9B—W2B86.8 (8)
O3A—W1A—O6A—P1A42.1 (8)O11B—W6B—O9B—W2B3.0 (7)
O5A—W1A—O6A—P1A134.4 (8)O26B—W7B—O10B—W2B171.5 (8)
O2A—W1A—O6A—P1A44.8 (8)O27B—W7B—O10B—W2B84.7 (9)
O1A—W1A—O6A—W5A46 (4)O28B—W7B—O10B—W2B3.0 (17)
O4A—W1A—O6A—W5A91.4 (4)O24B—W7B—O10B—W2B69.6 (9)
O3A—W1A—O6A—W5A177.1 (4)O11B—W7B—O10B—W2B1.9 (7)
O5A—W1A—O6A—W5A0.6 (4)O7B—W2B—O10B—W7B174.1 (8)
O2A—W1A—O6A—W5A90.2 (4)O9B—W2B—O10B—W7B70.7 (9)
O1A—W1A—O6A—W4A43 (4)O2B—W2B—O10B—W7B14.3 (18)
O4A—W1A—O6A—W4A2.3 (4)O8B—W2B—O10B—W7B84.5 (9)
O3A—W1A—O6A—W4A93.8 (4)O11B—W2B—O10B—W7B1.8 (7)
O5A—W1A—O6A—W4A89.7 (4)O15B—P1B—O11B—W6B179.6 (7)
O2A—W1A—O6A—W4A179.3 (4)O6B—P1B—O11B—W6B60.0 (9)
O12A—W3A—O8A—W2A130.7 (14)O37B—P1B—O11B—W6B59.5 (9)
O3A—W3A—O8A—W2A28.4 (15)O15B—P1B—O11B—W7B57.0 (9)
O13A—W3A—O8A—W2A129.2 (15)O6B—P1B—O11B—W7B177.5 (7)
O14A—W3A—O8A—W2A46 (2)O37B—P1B—O11B—W7B63.0 (9)
O15A—W3A—O8A—W2A56.1 (14)O15B—P1B—O11B—W2B61.9 (9)
O7A—W2A—O8A—W3A128.4 (15)O6B—P1B—O11B—W2B58.6 (9)
O9A—W2A—O8A—W3A51 (2)O37B—P1B—O11B—W2B178.1 (7)
O2A—W2A—O8A—W3A27.8 (15)O23B—W6B—O11B—P1B177 (4)
O10A—W2A—O8A—W3A128.9 (15)O24B—W6B—O11B—P1B135.8 (9)
O11A—W2A—O8A—W3A56.8 (14)O25B—W6B—O11B—P1B42.3 (8)
O7A—W2A—O9A—W6A170.9 (8)O21B—W6B—O11B—P1B43.3 (8)
O2A—W2A—O9A—W6A87.4 (8)O9B—W6B—O11B—P1B131.8 (9)
O8A—W2A—O9A—W6A9.4 (17)O23B—W6B—O11B—W7B45 (4)
O10A—W2A—O9A—W6A68.0 (8)O24B—W6B—O11B—W7B1.8 (4)
O11A—W2A—O9A—W6A3.6 (7)O25B—W6B—O11B—W7B95.3 (4)
O23A—W6A—O9A—W2A171.8 (8)O21B—W6B—O11B—W7B179.1 (4)
O24A—W6A—O9A—W2A67.5 (8)O9B—W6B—O11B—W7B90.6 (5)
O25A—W6A—O9A—W2A17.6 (16)O23B—W6B—O11B—W2B43 (4)
O21A—W6A—O9A—W2A86.2 (8)O24B—W6B—O11B—W2B90.6 (5)
O11A—W6A—O9A—W2A3.6 (7)O25B—W6B—O11B—W2B175.9 (4)
O26A—W7A—O10A—W2A169.2 (8)O21B—W6B—O11B—W2B90.3 (4)
O24A—W7A—O10A—W2A67.3 (8)O9B—W6B—O11B—W2B1.9 (4)
O27A—W7A—O10A—W2A88.7 (8)O26B—W7B—O11B—P1B175 (3)
O28A—W7A—O10A—W2A12.8 (17)O27B—W7B—O11B—P1B40.5 (8)
O11A—W7A—O10A—W2A4.5 (7)O28B—W7B—O11B—P1B46.8 (8)
O7A—W2A—O10A—W7A171.5 (8)O10B—W7B—O11B—P1B132.6 (9)
O9A—W2A—O10A—W7A67.2 (8)O24B—W7B—O11B—P1B135.8 (9)
O2A—W2A—O10A—W7A17.8 (18)O26B—W7B—O11B—W6B38 (4)
O8A—W2A—O10A—W7A88.1 (8)O27B—W7B—O11B—W6B178.1 (5)
O11A—W2A—O10A—W7A4.5 (7)O28B—W7B—O11B—W6B90.7 (4)
O6A—P1A—O11A—W2A58.7 (9)O10B—W7B—O11B—W6B89.8 (5)
O37A—P1A—O11A—W2A178.1 (7)O24B—W7B—O11B—W6B1.8 (4)
O15A—P1A—O11A—W2A59.9 (9)O26B—W7B—O11B—W2B51 (4)
O6A—P1A—O11A—W7A179.4 (7)O27B—W7B—O11B—W2B93.3 (5)
O37A—P1A—O11A—W7A61.2 (9)O28B—W7B—O11B—W2B179.4 (4)
O15A—P1A—O11A—W7A60.7 (9)O10B—W7B—O11B—W2B1.1 (4)
O6A—P1A—O11A—W6A62.3 (9)O24B—W7B—O11B—W2B90.4 (5)
O37A—P1A—O11A—W6A57.1 (9)O7B—W2B—O11B—P1B162 (3)
O15A—P1A—O11A—W6A179.1 (7)O9B—W2B—O11B—P1B133.4 (9)
O7A—W2A—O11A—P1A170 (4)O2B—W2B—O11B—P1B40.2 (8)
O9A—W2A—O11A—P1A133.9 (8)O10B—W2B—O11B—P1B134.4 (9)
O2A—W2A—O11A—P1A42.0 (8)O8B—W2B—O11B—P1B44.8 (8)
O8A—W2A—O11A—P1A43.6 (8)O7B—W2B—O11B—W6B62 (3)
O10A—W2A—O11A—P1A132.4 (9)O9B—W2B—O11B—W6B1.9 (4)
O7A—W2A—O11A—W7A35 (5)O2B—W2B—O11B—W6B95.2 (4)
O9A—W2A—O11A—W7A90.8 (5)O10B—W2B—O11B—W6B90.2 (5)
O2A—W2A—O11A—W7A177.3 (4)O8B—W2B—O11B—W6B179.9 (4)
O8A—W2A—O11A—W7A91.7 (4)O7B—W2B—O11B—W7B27 (3)
O10A—W2A—O11A—W7A2.9 (4)O9B—W2B—O11B—W7B91.0 (5)
O7A—W2A—O11A—W6A54 (4)O2B—W2B—O11B—W7B175.7 (4)
O9A—W2A—O11A—W6A2.2 (4)O10B—W2B—O11B—W7B1.1 (4)
O2A—W2A—O11A—W6A94.1 (4)O8B—W2B—O11B—W7B90.8 (4)
O8A—W2A—O11A—W6A179.7 (4)O29B—W8B—O13B—W3B173.4 (7)
O10A—W2A—O11A—W6A91.4 (5)O31B—W8B—O13B—W3B9.2 (16)
O26A—W7A—O11A—P1A174 (4)O27B—W8B—O13B—W3B84.2 (7)
O24A—W7A—O11A—P1A132.8 (9)O30B—W8B—O13B—W3B69.8 (8)
O10A—W7A—O11A—P1A133.0 (9)O15B—W8B—O13B—W3B1.4 (6)
O27A—W7A—O11A—P1A43.7 (8)O12B—W3B—O13B—W8B172.8 (8)
O28A—W7A—O11A—P1A43.5 (8)O8B—W3B—O13B—W8B83.7 (8)
O26A—W7A—O11A—W2A50 (4)O3B—W3B—O13B—W8B4.1 (17)
O24A—W7A—O11A—W2A91.3 (4)O14B—W3B—O13B—W8B70.1 (8)
O10A—W7A—O11A—W2A2.9 (4)O15B—W3B—O13B—W8B1.3 (6)
O27A—W7A—O11A—W2A92.3 (4)O32B—W9B—O14B—W3B169.7 (7)
O28A—W7A—O11A—W2A179.4 (4)O30B—W9B—O14B—W3B67.0 (8)
O26A—W7A—O11A—W6A39 (4)O18B—W9B—O14B—W3B88.6 (8)
O24A—W7A—O11A—W6A1.8 (4)O33B—W9B—O14B—W3B12.3 (17)
O10A—W7A—O11A—W6A92.4 (5)O15B—W9B—O14B—W3B4.8 (6)
O27A—W7A—O11A—W6A178.3 (4)O12B—W3B—O14B—W9B170.2 (7)
O28A—W7A—O11A—W6A91.2 (4)O8B—W3B—O14B—W9B15.4 (16)
O23A—W6A—O11A—P1A165 (3)O13B—W3B—O14B—W9B68.3 (8)
O24A—W6A—O11A—P1A132.1 (8)O3B—W3B—O14B—W9B87.6 (8)
O25A—W6A—O11A—P1A39.9 (8)O15B—W3B—O14B—W9B4.8 (6)
O9A—W6A—O11A—P1A133.9 (9)O11B—P1B—O15B—W9B179.7 (7)
O21A—W6A—O11A—P1A46.6 (8)O6B—P1B—O15B—W9B58.7 (10)
O23A—W6A—O11A—W2A29 (3)O37B—P1B—O15B—W9B60.0 (9)
O24A—W6A—O11A—W2A91.8 (5)O11B—P1B—O15B—W8B58.6 (10)
O25A—W6A—O11A—W2A176.1 (5)O6B—P1B—O15B—W8B179.8 (7)
O9A—W6A—O11A—W2A2.2 (4)O37B—P1B—O15B—W8B61.1 (10)
O21A—W6A—O11A—W2A89.6 (5)O11B—P1B—O15B—W3B59.7 (9)
O23A—W6A—O11A—W7A61 (3)O6B—P1B—O15B—W3B61.9 (9)
O24A—W6A—O11A—W7A1.8 (4)O37B—P1B—O15B—W3B179.5 (7)
O25A—W6A—O11A—W7A94.0 (4)O32B—W9B—O15B—P1B177 (3)
O9A—W6A—O11A—W7A92.1 (5)O14B—W9B—O15B—P1B132.5 (9)
O21A—W6A—O11A—W7A179.5 (5)O30B—W9B—O15B—P1B132.7 (9)
O12A—W3A—O13A—W8A170.4 (7)O18B—W9B—O15B—P1B42.0 (9)
O8A—W3A—O13A—W8A86.2 (7)O33B—W9B—O15B—P1B44.3 (8)
O3A—W3A—O13A—W8A6.9 (16)O32B—W9B—O15B—W8B47 (4)
O14A—W3A—O13A—W8A68.7 (7)O14B—W9B—O15B—W8B91.4 (5)
O15A—W3A—O13A—W8A2.7 (6)O30B—W9B—O15B—W8B3.5 (5)
O29A—W8A—O13A—W3A172.3 (7)O18B—W9B—O15B—W8B178.1 (5)
O31A—W8A—O13A—W3A13.4 (15)O33B—W9B—O15B—W8B91.8 (5)
O30A—W8A—O13A—W3A70.3 (7)O32B—W9B—O15B—W3B42 (4)
O27A—W8A—O13A—W3A86.2 (7)O14B—W9B—O15B—W3B3.1 (4)
O15A—W8A—O13A—W3A2.7 (6)O30B—W9B—O15B—W3B91.8 (5)
O32A—W9A—O14A—W3A170.8 (8)O18B—W9B—O15B—W3B93.6 (5)
O18A—W9A—O14A—W3A86.4 (8)O33B—W9B—O15B—W3B179.9 (5)
O33A—W9A—O14A—W3A8.3 (16)O29B—W8B—O15B—P1B179 (88)
O30A—W9A—O14A—W3A70.3 (7)O13B—W8B—O15B—P1B133.5 (9)
O15A—W9A—O14A—W3A2.2 (6)O31B—W8B—O15B—P1B43.3 (9)
O12A—W3A—O14A—W9A170.5 (8)O27B—W8B—O15B—P1B43.2 (9)
O8A—W3A—O14A—W9A12.6 (16)O30B—W8B—O15B—P1B133.6 (10)
O3A—W3A—O14A—W9A87.0 (8)O29B—W8B—O15B—W9B44 (4)
O13A—W3A—O14A—W9A71.0 (7)O13B—W8B—O15B—W9B89.6 (5)
O15A—W3A—O14A—W9A2.2 (6)O31B—W8B—O15B—W9B93.7 (4)
O6A—P1A—O15A—W3A60.1 (9)O27B—W8B—O15B—W9B179.8 (5)
O37A—P1A—O15A—W3A179.4 (7)O30B—W8B—O15B—W9B3.4 (5)
O11A—P1A—O15A—W3A58.7 (9)O29B—W8B—O15B—W3B45 (4)
O6A—P1A—O15A—W8A178.6 (7)O13B—W8B—O15B—W3B0.9 (4)
O37A—P1A—O15A—W8A59.2 (9)O31B—W8B—O15B—W3B177.6 (4)
O11A—P1A—O15A—W8A62.7 (9)O27B—W8B—O15B—W3B91.1 (5)
O6A—P1A—O15A—W9A60.8 (9)O30B—W8B—O15B—W3B92.1 (5)
O37A—P1A—O15A—W9A58.5 (10)O12B—W3B—O15B—P1B176 (4)
O11A—P1A—O15A—W9A179.6 (7)O8B—W3B—O15B—P1B41.6 (8)
O12A—W3A—O15A—P1A178 (3)O13B—W3B—O15B—P1B133.7 (9)
O8A—W3A—O15A—P1A41.9 (8)O3B—W3B—O15B—P1B45.1 (8)
O3A—W3A—O15A—P1A44.7 (8)O14B—W3B—O15B—P1B133.7 (9)
O13A—W3A—O15A—P1A133.7 (9)O12B—W3B—O15B—W9B39 (4)
O14A—W3A—O15A—P1A133.7 (9)O8B—W3B—O15B—W9B178.2 (4)
O12A—W3A—O15A—W8A43 (3)O13B—W3B—O15B—W9B89.6 (5)
O8A—W3A—O15A—W8A93.6 (4)O3B—W3B—O15B—W9B91.6 (4)
O3A—W3A—O15A—W8A179.8 (4)O14B—W3B—O15B—W9B3.0 (4)
O13A—W3A—O15A—W8A1.8 (4)O12B—W3B—O15B—W8B50 (4)
O14A—W3A—O15A—W8A90.8 (4)O8B—W3B—O15B—W8B93.0 (4)
O12A—W3A—O15A—W9A47 (3)O13B—W3B—O15B—W8B0.9 (4)
O8A—W3A—O15A—W9A176.9 (5)O3B—W3B—O15B—W8B179.7 (5)
O3A—W3A—O15A—W9A90.4 (4)O14B—W3B—O15B—W8B91.7 (5)
O13A—W3A—O15A—W9A91.2 (4)O16B—W4B—O17B—W5B169.4 (7)
O14A—W3A—O15A—W9A1.4 (4)O4B—W4B—O17B—W5B67.5 (7)
O29A—W8A—O15A—P1A170 (3)O19B—W4B—O17B—W5B89.7 (7)
O31A—W8A—O15A—P1A40.7 (8)O18B—W4B—O17B—W5B15.0 (17)
O30A—W8A—O15A—P1A132.1 (8)O6B—W4B—O17B—W5B5.6 (6)
O27A—W8A—O15A—P1A46.3 (8)O20B—W5B—O17B—W4B169.4 (7)
O13A—W8A—O15A—P1A134.9 (8)O5B—W5B—O17B—W4B67.4 (7)
O29A—W8A—O15A—W3A34 (3)O21B—W5B—O17B—W4B23.0 (16)
O31A—W8A—O15A—W3A177.3 (4)O22B—W5B—O17B—W4B90.1 (7)
O30A—W8A—O15A—W3A91.3 (5)O6B—W5B—O17B—W4B5.5 (6)
O27A—W8A—O15A—W3A90.3 (4)O32B—W9B—O18B—W4B132.3 (14)
O13A—W8A—O15A—W3A1.8 (4)O14B—W9B—O18B—W4B126.6 (14)
O29A—W8A—O15A—W9A56 (3)O30B—W9B—O18B—W4B41 (2)
O31A—W8A—O15A—W9A92.6 (4)O33B—W9B—O18B—W4B29.2 (14)
O30A—W8A—O15A—W9A1.2 (4)O15B—W9B—O18B—W4B53.3 (14)
O27A—W8A—O15A—W9A179.6 (5)O16B—W4B—O18B—W9B130.3 (14)
O13A—W8A—O15A—W9A91.9 (4)O4B—W4B—O18B—W9B127.8 (14)
O32A—W9A—O15A—P1A179 (54)O19B—W4B—O18B—W9B29.8 (14)
O14A—W9A—O15A—P1A135.0 (9)O17B—W4B—O18B—W9B45 (2)
O18A—W9A—O15A—P1A44.4 (8)O6B—W4B—O18B—W9B54.4 (14)
O33A—W9A—O15A—P1A42.5 (8)O34B—W10B—O19B—W4B126.8 (14)
O30A—W9A—O15A—P1A132.2 (9)O33B—W10B—O19B—W4B25.0 (14)
O32A—W9A—O15A—W3A43 (3)O36B—W10B—O19B—W4B59 (2)
O14A—W9A—O15A—W3A1.4 (4)O35B—W10B—O19B—W4B131.6 (15)
O18A—W9A—O15A—W3A92.1 (5)O37B—W10B—O19B—W4B59.0 (14)
O33A—W9A—O15A—W3A178.9 (4)O16B—W4B—O19B—W10B128.7 (14)
O30A—W9A—O15A—W3A91.3 (5)O4B—W4B—O19B—W10B50 (2)
O32A—W9A—O15A—W8A48 (3)O17B—W4B—O19B—W10B131.3 (15)
O14A—W9A—O15A—W8A91.6 (5)O18B—W4B—O19B—W10B26.2 (14)
O18A—W9A—O15A—W8A177.7 (5)O6B—W4B—O19B—W10B57.7 (14)
O33A—W9A—O15A—W8A90.9 (4)O20B—W5B—O21B—W6B130.0 (14)
O30A—W9A—O15A—W8A1.1 (4)O5B—W5B—O21B—W6B127.4 (14)
O16A—W4A—O17A—W5A172.5 (8)O17B—W5B—O21B—W6B38 (2)
O19A—W4A—O17A—W5A84.4 (8)O22B—W5B—O21B—W6B29.3 (14)
O4A—W4A—O17A—W5A70.4 (8)O6B—W5B—O21B—W6B54.4 (14)
O18A—W4A—O17A—W5A3.9 (18)O23B—W6B—O21B—W5B130.2 (14)
O6A—W4A—O17A—W5A2.0 (7)O24B—W6B—O21B—W5B53 (2)
O20A—W5A—O17A—W4A172.1 (8)O25B—W6B—O21B—W5B29.8 (14)
O5A—W5A—O17A—W4A71.1 (8)O9B—W6B—O21B—W5B127.2 (15)
O21A—W5A—O17A—W4A8.9 (18)O11B—W6B—O21B—W5B54.8 (14)
O22A—W5A—O17A—W4A84.8 (8)O38B—W11B—O22B—W5B131.2 (13)
O6A—W5A—O17A—W4A2.0 (7)O35B—W11B—O22B—W5B128.5 (13)
O32A—W9A—O18A—W4A128.7 (13)O25B—W11B—O22B—W5B28.1 (13)
O14A—W9A—O18A—W4A130.3 (14)O39B—W11B—O22B—W5B45 (2)
O33A—W9A—O18A—W4A26.2 (13)O37B—W11B—O22B—W5B56.0 (13)
O30A—W9A—O18A—W4A50 (2)O20B—W5B—O22B—W11B128.5 (13)
O15A—W9A—O18A—W4A58.5 (13)O5B—W5B—O22B—W11B57 (2)
O16A—W4A—O18A—W9A127.4 (14)O21B—W5B—O22B—W11B27.9 (13)
O19A—W4A—O18A—W9A25.6 (14)O17B—W5B—O22B—W11B130.5 (13)
O17A—W4A—O18A—W9A56 (2)O6B—W5B—O22B—W11B57.5 (13)
O4A—W4A—O18A—W9A130.5 (14)O23B—W6B—O24B—W7B172.1 (8)
O6A—W4A—O18A—W9A58.0 (13)O25B—W6B—O24B—W7B86.1 (8)
O16A—W4A—O19A—W10A129.0 (15)O21B—W6B—O24B—W7B5.0 (17)
O17A—W4A—O19A—W10A129.1 (15)O9B—W6B—O24B—W7B69.3 (8)
O4A—W4A—O19A—W10A44 (2)O11B—W6B—O24B—W7B2.9 (7)
O18A—W4A—O19A—W10A26.8 (15)O26B—W7B—O24B—W6B171.7 (8)
O6A—W4A—O19A—W10A56.1 (15)O27B—W7B—O24B—W6B11.3 (17)
O34A—W10A—O19A—W4A128.2 (15)O28B—W7B—O24B—W6B84.6 (8)
O35A—W10A—O19A—W4A129.0 (16)O10B—W7B—O24B—W6B69.6 (8)
O36A—W10A—O19A—W4A49 (2)O11B—W7B—O24B—W6B2.9 (7)
O33A—W10A—O19A—W4A26.8 (15)O23B—W6B—O25B—W11B131.5 (15)
O37A—W10A—O19A—W4A57.1 (15)O24B—W6B—O25B—W11B125.0 (15)
O20A—W5A—O21A—W6A125.0 (15)O21B—W6B—O25B—W11B30.5 (15)
O5A—W5A—O21A—W6A132.8 (15)O9B—W6B—O25B—W11B39 (2)
O22A—W5A—O21A—W6A21.7 (15)O11B—W6B—O25B—W11B52.8 (14)
O17A—W5A—O21A—W6A54 (2)O38B—W11B—O25B—W6B131.7 (14)
O6A—W5A—O21A—W6A60.6 (15)O22B—W11B—O25B—W6B30.7 (15)
O23A—W6A—O21A—W5A126.2 (15)O35B—W11B—O25B—W6B50 (2)
O24A—W6A—O21A—W5A59 (2)O39B—W11B—O25B—W6B126.5 (15)
O25A—W6A—O21A—W5A22.5 (15)O37B—W11B—O25B—W6B53.5 (14)
O9A—W6A—O21A—W5A133.3 (15)O26B—W7B—O27B—W8B127.2 (14)
O11A—W6A—O21A—W5A61.8 (15)O28B—W7B—O27B—W8B23.5 (14)
O20A—W5A—O22A—W11A126.6 (14)O10B—W7B—O27B—W8B129.7 (14)
O5A—W5A—O22A—W11A63 (2)O24B—W7B—O27B—W8B50 (2)
O21A—W5A—O22A—W11A23.6 (14)O11B—W7B—O27B—W8B57.8 (14)
O17A—W5A—O22A—W11A133.4 (14)O29B—W8B—O27B—W7B126.3 (14)
O6A—W5A—O22A—W11A60.4 (13)O13B—W8B—O27B—W7B132.3 (14)
O38A—W11A—O22A—W5A126.9 (14)O31B—W8B—O27B—W7B24.1 (14)
O25A—W11A—O22A—W5A24.9 (14)O30B—W8B—O27B—W7B52 (2)
O35A—W11A—O22A—W5A131.6 (14)O15B—W8B—O27B—W7B58.8 (14)
O39A—W11A—O22A—W5A51 (2)O26B—W7B—O28B—W12B124.5 (14)
O37A—W11A—O22A—W5A59.8 (14)O27B—W7B—O28B—W12B21.5 (14)
O26A—W7A—O24A—W6A171.8 (8)O10B—W7B—O28B—W12B61 (2)
O10A—W7A—O24A—W6A69.2 (8)O24B—W7B—O28B—W12B133.6 (14)
O27A—W7A—O24A—W6A11.5 (17)O11B—W7B—O28B—W12B62.1 (14)
O28A—W7A—O24A—W6A86.2 (8)O40B—W12B—O28B—W7B126.4 (14)
O11A—W7A—O24A—W6A3.0 (6)O31B—W12B—O28B—W7B21.7 (14)
O23A—W6A—O24A—W7A168.9 (7)O36B—W12B—O28B—W7B54 (2)
O25A—W6A—O24A—W7A86.4 (8)O39B—W12B—O28B—W7B134.0 (14)
O9A—W6A—O24A—W7A67.7 (8)O37B—W12B—O28B—W7B61.6 (14)
O21A—W6A—O24A—W7A5.8 (16)O32B—W9B—O30B—W8B168.4 (9)
O11A—W6A—O24A—W7A3.0 (6)O14B—W9B—O30B—W8B67.1 (9)
O23A—W6A—O25A—W11A130.6 (15)O18B—W9B—O30B—W8B18.6 (19)
O24A—W6A—O25A—W11A124.5 (15)O33B—W9B—O30B—W8B88.4 (9)
O9A—W6A—O25A—W11A40 (2)O15B—W9B—O30B—W8B5.5 (7)
O21A—W6A—O25A—W11A28.5 (15)O29B—W8B—O30B—W9B169.0 (9)
O11A—W6A—O25A—W11A53.2 (15)O13B—W8B—O30B—W9B67.8 (9)
O38A—W11A—O25A—W6A131.7 (15)O31B—W8B—O30B—W9B88.2 (9)
O22A—W11A—O25A—W6A29.1 (15)O27B—W8B—O30B—W9B12.6 (18)
O35A—W11A—O25A—W6A48 (2)O15B—W8B—O30B—W9B5.5 (7)
O39A—W11A—O25A—W6A127.0 (15)O40B—W12B—O31B—W8B127.5 (13)
O37A—W11A—O25A—W6A54.0 (15)O28B—W12B—O31B—W8B23.7 (13)
O26A—W7A—O27A—W8A125.5 (13)O36B—W12B—O31B—W8B132.8 (14)
O24A—W7A—O27A—W8A51 (2)O39B—W12B—O31B—W8B58 (2)
O10A—W7A—O27A—W8A132.2 (13)O37B—W12B—O31B—W8B60.1 (13)
O28A—W7A—O27A—W8A23.7 (13)O29B—W8B—O31B—W12B125.9 (13)
O11A—W7A—O27A—W8A59.3 (13)O13B—W8B—O31B—W12B51 (2)
O29A—W8A—O27A—W7A126.8 (13)O27B—W8B—O31B—W12B24.0 (13)
O31A—W8A—O27A—W7A23.9 (13)O30B—W8B—O31B—W12B130.3 (14)
O30A—W8A—O27A—W7A57 (2)O15B—W8B—O31B—W12B59.1 (13)
O13A—W8A—O27A—W7A132.9 (13)O34B—W10B—O33B—W9B126.9 (15)
O15A—W8A—O27A—W7A60.3 (13)O19B—W10B—O33B—W9B25.1 (15)
O40A—W12A—O28A—W7A127.4 (14)O36B—W10B—O33B—W9B130.3 (15)
O39A—W12A—O28A—W7A131.9 (14)O35B—W10B—O33B—W9B47 (2)
O31A—W12A—O28A—W7A23.7 (14)O37B—W10B—O33B—W9B57.6 (15)
O36A—W12A—O28A—W7A50 (2)O32B—W9B—O33B—W10B126.9 (15)
O37A—W12A—O28A—W7A59.4 (13)O14B—W9B—O33B—W10B51 (2)
O26A—W7A—O28A—W12A126.1 (14)O30B—W9B—O33B—W10B131.1 (15)
O24A—W7A—O28A—W12A132.3 (14)O18B—W9B—O33B—W10B26.0 (15)
O10A—W7A—O28A—W12A52 (2)O15B—W9B—O33B—W10B58.3 (15)
O27A—W7A—O28A—W12A24.2 (14)O38B—W11B—O35B—W10B171.7 (7)
O11A—W7A—O28A—W12A60.0 (13)O22B—W11B—O35B—W10B86.6 (8)
O29A—W8A—O30A—W9A171.0 (7)O25B—W11B—O35B—W10B6.9 (17)
O31A—W8A—O30A—W9A85.4 (7)O39B—W11B—O35B—W10B69.8 (8)
O27A—W8A—O30A—W9A5.7 (17)O37B—W11B—O35B—W10B3.1 (6)
O13A—W8A—O30A—W9A70.4 (7)O34B—W10B—O35B—W11B171.9 (7)
O15A—W8A—O30A—W9A1.8 (6)O33B—W10B—O35B—W11B13.8 (17)
O32A—W9A—O30A—W8A170.7 (7)O19B—W10B—O35B—W11B86.4 (8)
O14A—W9A—O30A—W8A70.0 (8)O36B—W10B—O35B—W11B70.0 (8)
O18A—W9A—O30A—W8A10.3 (17)O37B—W10B—O35B—W11B3.1 (6)
O33A—W9A—O30A—W8A86.5 (7)O34B—W10B—O36B—W12B173.5 (8)
O15A—W9A—O30A—W8A1.8 (6)O33B—W10B—O36B—W12B83.8 (8)
O29A—W8A—O31A—W12A126.3 (14)O19B—W10B—O36B—W12B0.6 (18)
O30A—W8A—O31A—W12A131.2 (14)O35B—W10B—O36B—W12B71.7 (8)
O27A—W8A—O31A—W12A25.0 (14)O37B—W10B—O36B—W12B0.7 (7)
O13A—W8A—O31A—W12A48 (2)O40B—W12B—O36B—W10B170.9 (8)
O15A—W8A—O31A—W12A58.1 (14)O31B—W12B—O36B—W10B84.2 (8)
O40A—W12A—O31A—W8A127.8 (14)O28B—W12B—O36B—W10B8.5 (17)
O28A—W12A—O31A—W8A24.6 (14)O39B—W12B—O36B—W10B72.1 (8)
O39A—W12A—O31A—W8A54 (2)O37B—W12B—O36B—W10B0.7 (7)
O36A—W12A—O31A—W8A131.4 (14)O15B—P1B—O37B—W10B57.2 (9)
O37A—W12A—O31A—W8A59.0 (14)O11B—P1B—O37B—W10B177.9 (7)
O32A—W9A—O33A—W10A130.1 (14)O6B—P1B—O37B—W10B61.5 (10)
O14A—W9A—O33A—W10A51 (2)O15B—P1B—O37B—W11B178.9 (7)
O18A—W9A—O33A—W10A27.9 (14)O11B—P1B—O37B—W11B60.3 (9)
O30A—W9A—O33A—W10A129.1 (14)O6B—P1B—O37B—W11B60.3 (9)
O15A—W9A—O33A—W10A56.6 (14)O15B—P1B—O37B—W12B61.9 (9)
O34A—W10A—O33A—W9A129.8 (14)O11B—P1B—O37B—W12B58.9 (9)
O35A—W10A—O33A—W9A44 (2)O6B—P1B—O37B—W12B179.5 (7)
O36A—W10A—O33A—W9A127.8 (14)O34B—W10B—O37B—P1B177 (4)
O19A—W10A—O33A—W9A27.1 (14)O33B—W10B—O37B—P1B40.8 (9)
O37A—W10A—O33A—W9A55.2 (14)O19B—W10B—O37B—P1B46.6 (8)
O34A—W10A—O35A—W11A170.2 (7)O36B—W10B—O37B—P1B133.5 (9)
O36A—W10A—O35A—W11A68.0 (8)O35B—W10B—O37B—P1B134.7 (9)
O19A—W10A—O35A—W11A86.4 (8)O34B—W10B—O37B—W11B40 (4)
O33A—W10A—O35A—W11A16.5 (16)O33B—W10B—O37B—W11B177.5 (5)
O37A—W10A—O35A—W11A4.3 (7)O19B—W10B—O37B—W11B90.1 (4)
O38A—W11A—O35A—W10A169.6 (8)O36B—W10B—O37B—W11B89.9 (5)
O22A—W11A—O35A—W10A87.1 (8)O35B—W10B—O37B—W11B2.0 (4)
O25A—W11A—O35A—W10A11.2 (17)O34B—W10B—O37B—W12B49 (4)
O39A—W11A—O35A—W10A68.5 (8)O33B—W10B—O37B—W12B93.1 (5)
O37A—W11A—O35A—W10A4.3 (7)O19B—W10B—O37B—W12B179.5 (5)
O34A—W10A—O36A—W12A170.7 (8)O36B—W10B—O37B—W12B0.5 (4)
O35A—W10A—O36A—W12A67.7 (8)O35B—W10B—O37B—W12B91.3 (5)
O19A—W10A—O36A—W12A12.4 (16)O38B—W11B—O37B—P1B170 (3)
O33A—W10A—O36A—W12A86.6 (8)O22B—W11B—O37B—P1B42.9 (8)
O37A—W10A—O36A—W12A3.6 (7)O35B—W11B—O37B—P1B134.7 (9)
O40A—W12A—O36A—W10A169.1 (8)O25B—W11B—O37B—P1B43.7 (8)
O28A—W12A—O36A—W10A13.9 (16)O39B—W11B—O37B—P1B132.6 (9)
O39A—W12A—O36A—W10A68.9 (8)O38B—W11B—O37B—W10B34 (3)
O31A—W12A—O36A—W10A86.8 (8)O22B—W11B—O37B—W10B93.8 (4)
O37A—W12A—O36A—W10A3.6 (7)O35B—W11B—O37B—W10B2.0 (4)
O6A—P1A—O37A—W11A60.7 (10)O25B—W11B—O37B—W10B179.6 (4)
O11A—P1A—O37A—W11A58.9 (10)O39B—W11B—O37B—W10B90.7 (5)
O15A—P1A—O37A—W11A179.9 (7)O38B—W11B—O37B—W12B56 (3)
O6A—P1A—O37A—W10A61.5 (9)O22B—W11B—O37B—W12B177.0 (5)
O11A—P1A—O37A—W10A178.9 (7)O35B—W11B—O37B—W12B91.2 (5)
O15A—P1A—O37A—W10A57.9 (10)O25B—W11B—O37B—W12B90.3 (4)
O6A—P1A—O37A—W12A179.3 (7)O39B—W11B—O37B—W12B1.5 (4)
O11A—P1A—O37A—W12A59.7 (9)O40B—W12B—O37B—P1B176 (3)
O15A—P1A—O37A—W12A61.3 (9)O31B—W12B—O37B—P1B45.2 (8)
O38A—W11A—O37A—P1A177 (3)O28B—W12B—O37B—P1B42.1 (8)
O22A—W11A—O37A—P1A43.7 (9)O36B—W12B—O37B—P1B134.7 (9)
O25A—W11A—O37A—P1A42.4 (9)O39B—W12B—O37B—P1B133.7 (9)
O35A—W11A—O37A—P1A134.8 (10)O40B—W12B—O37B—W10B48 (3)
O39A—W11A—O37A—P1A132.3 (10)O31B—W12B—O37B—W10B90.0 (5)
O38A—W11A—O37A—W10A39 (3)O28B—W12B—O37B—W10B177.3 (4)
O22A—W11A—O37A—W10A93.8 (5)O36B—W12B—O37B—W10B0.5 (4)
O25A—W11A—O37A—W10A179.9 (5)O39B—W12B—O37B—W10B91.1 (5)
O35A—W11A—O37A—W10A2.7 (4)O40B—W12B—O37B—W11B41 (3)
O39A—W11A—O37A—W10A90.2 (4)O31B—W12B—O37B—W11B179.6 (5)
O38A—W11A—O37A—W12A50 (3)O28B—W12B—O37B—W11B93.1 (4)
O22A—W11A—O37A—W12A177.3 (5)O36B—W12B—O37B—W11B90.1 (5)
O25A—W11A—O37A—W12A91.2 (5)O39B—W12B—O37B—W11B1.5 (4)
O35A—W11A—O37A—W12A91.6 (5)O38B—W11B—O39B—W12B170.1 (7)
O39A—W11A—O37A—W12A1.3 (4)O22B—W11B—O39B—W12B13.4 (17)
O34A—W10A—O37A—P1A180 (54)O35B—W11B—O39B—W12B70.2 (8)
O35A—W10A—O37A—P1A134.3 (9)O25B—W11B—O39B—W12B86.6 (7)
O36A—W10A—O37A—P1A131.7 (9)O37B—W11B—O39B—W12B2.3 (6)
O19A—W10A—O37A—P1A44.4 (9)O40B—W12B—O39B—W11B170.2 (8)
O33A—W10A—O37A—P1A40.4 (8)O31B—W12B—O39B—W11B4.9 (17)
O34A—W10A—O37A—W11A43 (4)O28B—W12B—O39B—W11B85.5 (7)
O35A—W10A—O37A—W11A2.7 (4)O36B—W12B—O39B—W11B70.6 (8)
O36A—W10A—O37A—W11A91.3 (5)O37B—W12B—O39B—W11B2.3 (6)
O19A—W10A—O37A—W11A92.6 (5)C15S—N11S—C12S—O11S178.7 (16)
O33A—W10A—O37A—W11A177.4 (4)C15S—N11S—C12S—N13S2.3 (18)
O34A—W10A—O37A—W12A46 (4)O11S—C12S—N13S—C14S178.2 (17)
O35A—W10A—O37A—W12A91.7 (5)N11S—C12S—N13S—C14S2.8 (19)
O36A—W10A—O37A—W12A2.3 (4)C12S—N13S—C14S—C15S2.3 (19)
O19A—W10A—O37A—W12A178.4 (5)C12S—N11S—C15S—O12S177.1 (16)
O33A—W10A—O37A—W12A93.6 (4)C12S—N11S—C15S—C14S0.9 (18)
O40A—W12A—O37A—P1A179 (2)N13S—C14S—C15S—O12S178.8 (17)
O28A—W12A—O37A—P1A42.1 (8)N13S—C14S—C15S—N11S0.8 (18)
O39A—W12A—O37A—P1A133.6 (9)C25S—N21S—C22S—O21S178.9 (15)
O31A—W12A—O37A—P1A44.1 (8)C25S—N21S—C22S—N23S3 (2)
O36A—W12A—O37A—P1A133.5 (9)O21S—C22S—N23S—C24S179.3 (14)
O40A—W12A—O37A—W11A44 (3)N21S—C22S—N23S—C24S0.6 (18)
O28A—W12A—O37A—W11A92.8 (4)C22S—N23S—C24S—C25S1.2 (17)
O39A—W12A—O37A—W11A1.3 (4)C22S—N21S—C25S—O22S175.7 (16)
O31A—W12A—O37A—W11A179.1 (5)C22S—N21S—C25S—C24S3.1 (18)
O36A—W12A—O37A—W11A91.6 (5)N23S—C24S—C25S—O22S176.2 (15)
O40A—W12A—O37A—W10A46 (3)N23S—C24S—C25S—N21S2.6 (17)
O28A—W12A—O37A—W10A177.9 (4)C35S—N31S—C32S—O31S177.4 (15)
O39A—W12A—O37A—W10A90.6 (4)C35S—N31S—C32S—N33S2.8 (18)
O31A—W12A—O37A—W10A91.7 (4)O31S—C32S—N33S—C34S178.4 (17)
O36A—W12A—O37A—W10A2.3 (4)N31S—C32S—N33S—C34S1.8 (19)
O40A—W12A—O39A—W11A171.0 (7)C32S—N33S—C34S—C35S0 (2)
O28A—W12A—O39A—W11A84.9 (7)C32S—N31S—C35S—O32S177.4 (15)
O31A—W12A—O39A—W11A7.4 (16)C32S—N31S—C35S—C34S2.6 (19)
O36A—W12A—O39A—W11A70.1 (7)N33S—C34S—C35S—O32S178.7 (15)
O37A—W12A—O39A—W11A2.1 (6)N33S—C34S—C35S—N31S1.4 (19)
O38A—W11A—O39A—W12A170.9 (7)C45S—N41S—C42S—O41S178.4 (18)
O22A—W11A—O39A—W12A11.5 (16)C45S—N41S—C42S—N43S1 (2)
O25A—W11A—O39A—W12A86.5 (7)O41S—C42S—N43S—C44S179.6 (18)
O35A—W11A—O39A—W12A69.7 (7)N41S—C42S—N43S—C44S0 (2)
O37A—W11A—O39A—W12A2.1 (6)C42S—N43S—C44S—C45S1 (2)
O1B—W1B—O2B—W2B129.0 (16)C42S—N41S—C45S—O42S179.0 (19)
O3B—W1B—O2B—W2B25.3 (16)C42S—N41S—C45S—C44S2 (2)
O4B—W1B—O2B—W2B55 (2)N43S—C44S—C45S—O42S179.1 (19)
O5B—W1B—O2B—W2B129.2 (17)N43S—C44S—C45S—N41S2 (2)
O6B—W1B—O2B—W2B57.8 (16)C55S—N51S—C52S—O51S172.7 (17)
O7B—W2B—O2B—W1B126.0 (16)C55S—N51S—C52S—N53S3.4 (19)
O9B—W2B—O2B—W1B129.4 (17)O51S—C52S—N53S—C54S171.4 (17)
O10B—W2B—O2B—W1B46 (2)N51S—C52S—N53S—C54S5 (2)
O8B—W2B—O2B—W1B25.3 (16)O51S—C52S—N53S—C71S0 (3)
O11B—W2B—O2B—W1B57.4 (16)N51S—C52S—N53S—C71S176.4 (15)
O1B—W1B—O3B—W3B126.0 (15)C52S—N53S—C54S—C55S4.1 (19)
O2B—W1B—O3B—W3B22.1 (16)C71S—N53S—C54S—C55S175.4 (15)
O4B—W1B—O3B—W3B132.2 (16)C52S—N51S—C55S—O52S177.9 (17)
O5B—W1B—O3B—W3B53 (2)C52S—N51S—C55S—C54S0.8 (19)
O6B—W1B—O3B—W3B60.5 (15)N53S—C54S—C55S—O52S179.4 (17)
O12B—W3B—O3B—W1B124.5 (16)N53S—C54S—C55S—N51S1.9 (18)
O8B—W3B—O3B—W1B22.0 (16)C65S—N61S—C62S—O61S177 (2)
O13B—W3B—O3B—W1B59 (2)C65S—N61S—C62S—N63S3 (3)
O14B—W3B—O3B—W1B132.9 (16)O61S—C62S—N63S—C64S175 (2)
O15B—W3B—O3B—W1B61.2 (15)N61S—C62S—N63S—C64S4 (2)
O16B—W4B—O4B—W1B171.7 (8)O61S—C62S—N63S—C71S11 (4)
O19B—W4B—O4B—W1B9.6 (18)N61S—C62S—N63S—C71S168.5 (16)
O17B—W4B—O4B—W1B71.5 (8)C62S—N63S—C64S—C65S4 (2)
O18B—W4B—O4B—W1B85.4 (8)C71S—N63S—C64S—C65S167.9 (16)
O6B—W4B—O4B—W1B1.7 (7)C62S—N61S—C65S—O62S178 (2)
O1B—W1B—O4B—W4B171.3 (8)C62S—N61S—C65S—C64S0 (2)
O3B—W1B—O4B—W4B83.9 (8)N63S—C64S—C65S—O62S179.9 (18)
O2B—W1B—O4B—W4B5.0 (17)N63S—C64S—C65S—N61S2 (2)
O5B—W1B—O4B—W4B70.0 (8)C62S—N63S—C71S—N53S116 (2)
O6B—W1B—O4B—W4B1.7 (7)C64S—N63S—C71S—N53S81 (2)
O20B—W5B—O5B—W1B172.7 (7)C52S—N53S—C71S—N63S79 (2)
O21B—W5B—O5B—W1B85.3 (8)C54S—N53S—C71S—N63S91 (2)

Experimental details

Crystal data
Chemical formula2{H3[PW12O40]}·4C3H4N2O2·C7H8N4O4·21.5H2O
Mr6760.23
Crystal system, space groupTriclinic, P1
Temperature (K)100
a, b, c (Å)12.7271 (6), 13.3286 (7), 18.9177 (9)
α, β, γ (°)71.328 (1), 81.316 (1), 64.751 (1)
V3)2749.3 (2)
Z1
Radiation typeMo Kα
µ (mm1)25.15
Crystal size (mm)0.31 × 0.17 × 0.08
Data collection
DiffractometerBruker SMART APEXII CCD
diffractometer
Absorption correctionIntegration
(SADABS; Bruker, 2005)
Tmin, Tmax0.031, 0.215
No. of measured, independent and
observed [I > 2σ(I)] reflections
51543, 25728, 22772
Rint0.048
(sin θ/λ)max1)0.658
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.043, 0.102, 1.01
No. of reflections25728
No. of parameters1577
No. of restraints45
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)2.44, 1.32
Absolute structureFlack (1983), 12649 Friedel pairs
Absolute structure parameter0.492 (11)

Computer programs: APEX2 (Bruker, 2005), SAINT (Bruker, 2005), SHELXTL (Sheldrick, 2008).

 

Acknowledgements

Support of this investigation by Ferdowsi University of Mashhad is gratefully acknowledged.

References

First citationBruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
First citationFlack, H. D. (1983). Acta Cryst. A39, 876–881.  CrossRef CAS Web of Science IUCr Journals
First citationGuangzhe, L., Chris, S. & Hirofumi, H. (2008). Solid State Sci. 10, 121–128.
First citationKeggin, J. F. (1933). Nature (London), 131, 908–909.  CrossRef CAS
First citationLebeden, R. S., Chumakova, R. P. & Yakimenko, V. I. (1969). Russ. Phys. J. 12, 781–786.
First citationMicali, G., Linthicum, K. & Han, N. (1999). Pharmacotherapy, 19, 223–229.  Web of Science CrossRef PubMed CAS
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals
First citationYanagie, H., Ogata, A., Mitsui, S., Hisa, T., Yamase, T. & Eriguchi, M. (2006). Biomed. Pharmacother. 60, 349–352  Web of Science CrossRef PubMed CAS

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