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Investigations of new single crystals grown in the K3H(SO4)2–(NH4)3H(SO4)2–H2O system from solutions with different K:NH4 concentration ratios have been carried out. Based on the X-ray diffraction data, the atomic structure of the crystals was determined at room temperature taking H atoms into account. It has been determined that [K0.43(NH4)0.57]3H(SO4)2 crystals are trigonal at ambient conditions such as the superprotonic phase of (NH4)3H(SO4)2 at high temperature. A distribution of the K and N atoms in the crystal was modelled on the basis of the refined occupancies of K/N positions. Studies of dielectric properties over the temperature range 223–353 K revealed high values of conductivity of the crystals comparable with the conductivity of known superprotonic compounds at high temperatures, and an anomaly corresponding to a transition to the phase with low conductivity upon cooling.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520617012847/bp5100sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520617012847/bp5100Isup2.hkl
Contains datablock I

CCDC reference: 1573140

Computing details top

(I) top
Crystal data top
H7.84K1.29N1.71O8S2F(000) = 421
Mr = 274.40Dx = 2.140 Mg m3
Trigonal, R3Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -R 3Cell parameters from 3221 reflections
a = 5.7768 (3) Åθ = 4.5–32.7°
c = 22.0983 (12) ŵ = 1.28 mm1
V = 638.65 (8) Å3T = 293 K
Z = 30.20 × 0.17 × 0.15 mm
Data collection top
Xcalibur, Sapphire3 with high theta cut
diffractometer
533 independent reflections
Radiation source: X-ray tube490 reflections with I > 3σ(I)
Graphite monochromatorRint = 0.018
Detector resolution: 16.0628 pixels mm-1θmax = 33.0°, θmin = 4.5°
ω scansh = 88
Absorption correction: multi-scan
CrysAlisPro, Agilent Technologies, Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET) (compiled Jan 14 2014,18:38:05) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.
k = 88
Tmin = 0.935, Tmax = 1l = 3233
4750 measured reflections
Refinement top
Refinement on FH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.027Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2)
wR(F2) = 0.038(Δ/σ)max = 0.057
S = 2.46Δρmax = 0.18 e Å3
490 reflectionsΔρmin = 0.30 e Å3
47 parametersExtinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)
0 restraintsExtinction coefficient: 900 (400)
0 constraints
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
K10000.0386 (2)0.8
N10000.0386*0.2
K2000.20082 (8)0.0460 (6)0.25
N2000.200820.0429*0.75
S1000.40761 (2)0.03572 (19)
O1000.33983 (12)0.0865 (14)
O20.1371 (2)0.1367 (3)0.57250 (6)0.0538 (7)
H10.5000.0826*0.3333
H20.0868110.1709310.2066620.0894*0.75
H3000.1524140.0897*0.75
H40.0721950.1473190.0192890.0645*0.1
H5000.0589760.0691*0.1
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
K10.0427 (3)0.0427 (3)0.0304 (4)0.02137 (15)00
K20.0404 (6)0.0404 (6)0.0572 (13)0.0202 (3)00
S10.0363 (2)0.0363 (2)0.0346 (3)0.01814 (12)00
O10.115 (2)0.115 (2)0.0304 (9)0.0573 (10)00
O20.0544 (8)0.0551 (10)0.0715 (9)0.0421 (8)0.0001 (5)0.0004 (5)
Geometric parameters (Å, º) top
K1—N10N2—O2xxiii3.0268 (19)
K1—O1i3.3383 (6)N2—O2xxiv3.0246 (17)
K1—O1ii3.3383 (3)N2—H20.8653 (2)
K1—O1iii3.3383 (7)N2—H2xv0.8653 (1)
K1—O1iv3.3383 (7)N2—H2xvi0.8653 (1)
K1—O1v3.3383 (3)N2—H31.0666 (1)
K1—O1vi3.3383 (6)S1—O11.498 (3)
K1—O2vii2.8626 (16)S1—O2xxv1.4383 (18)
K1—O2viii2.8626 (16)S1—O2xxvi1.4383 (18)
K1—O2ix2.8626 (16)S1—O2xxvii1.4383 (18)
K1—O2x2.8626 (16)S1—H1xxviii2.3398 (4)
K1—O2xi2.8626 (16)S1—H1xxix2.3398 (4)
K1—O2xii2.8626 (16)S1—H1xxx2.3398 (4)
K1—H1xiii2.8884 (3)S1—H2xxxi2.7371 (5)
K1—H12.8884 (3)S1—H2xxxii2.7371 (4)
K1—H1xiv2.8884 (4)S1—H2xxxiii2.7371 (3)
K1—H1xv2.8884 (4)S1—H4xxxiv2.8683 (5)
K1—H1xvi2.8884 (6)S1—H4xxxv2.8683 (5)
K1—H1xvii2.8884 (6)S1—H4xxxvi2.8683 (3)
K1—H40.8514 (1)O1—O1xxxvii3.3476 (7)
K1—H4xv0.8514 (1)O1—O1x3.3476 (4)
K1—H4xvi0.8514 (1)O1—O1xxxi3.3476 (8)
K1—H4xviii0.8514 (1)O1—O2xxv2.373 (3)
K1—H4xix0.8514 (1)O1—O2xxvi2.373 (3)
K1—H4xx0.8514 (1)O1—O2xxvii2.373 (3)
K1—H51.3033 (1)O2—O2xv2.372 (3)
K1—H5xviii1.3033 (1)O2—O2xvi2.372 (3)
N1—O1i3.3383 (6)H1—H1xiv2.8884 (6)
N1—O1ii3.3383 (3)H1—H1xxxviii2.8884 (6)
N1—O1iii3.3383 (7)H1—H1xxxix2.8884 (4)
N1—O1iv3.3383 (7)H1—H1xvii2.8884 (4)
N1—O1v3.3383 (3)H1—H2ii2.9148 (3)
N1—O1vi3.3383 (6)H1—H2vi2.9148 (3)
N1—O2vii2.8626 (16)H1—H43.0194 (2)
N1—O2viii2.8626 (16)H1—H4xl3.0032 (4)
N1—O2ix2.8626 (16)H1—H4xxxviii2.3249 (2)
N1—O2x2.8626 (16)H1—H4xvi2.3143 (3)
N1—O2xi2.8626 (16)H1—H4xviii3.0032 (4)
N1—O2xii2.8626 (16)H1—H4xli3.0194 (2)
N1—H40.8514 (1)H1—H4xix2.3249 (2)
N1—H4xv0.8514 (1)H1—H4xlii2.3143 (3)
N1—H4xvi0.8514 (1)H1—H53.1688 (3)
N1—H4xviii0.8514 (1)H1—H5xl3.1688 (3)
N1—H4xix0.8514 (1)H1—H5xviii3.1688 (3)
N1—H4xx0.8514 (1)H1—H5xli3.1688 (3)
K2—O13.072 (3)H2—H2xv1.4812 (3)
K2—O2i3.0238 (13)H2—H2xvi1.4812 (2)
K2—O2iii3.0260 (14)H2—H2xliii3.0456 (2)
K2—O2xxi3.0260 (18)H2—H2xliv3.0456 (4)
K2—O2xxii3.024 (2)H2—H31.4726 (1)
K2—O2xxiii3.0260 (19)H2—H3v3.0613 (2)
K2—O2xxiv3.0238 (18)H2—H3vi3.0466 (4)
K2—O2x3.069 (2)H2—H5xlv3.3460 (4)
K2—O2xi3.069 (2)H3—H43.0328 (3)
K2—O2xii3.069 (2)H3—H4xv3.0328 (3)
K2—H20.8649 (3)H3—H4xvi3.0328 (3)
K2—H2xv0.8649 (3)H3—H5xviii2.0648 (2)
K2—H2xvi0.8649 (3)H4—H4xv1.2766 (3)
K2—H31.0696 (18)H4—H4xvi1.2766 (2)
K2—H5xviii3.1344 (19)H4—H4xviii1.7029 (3)
N2—O13.075 (3)H4—H4xix1.1270 (1)
N2—O2i3.0246 (12)H4—H4xx1.1270 (1)
N2—O2iii3.0268 (13)H4—H51.8800 (2)
N2—O2xxi3.0268 (17)H4—H5xviii1.1456 (1)
N2—O2xxii3.0246 (19)H5—H5xviii2.6065 (3)
N1—K1—O1i0K2xlv—O2—H2xxxiii72.64 (4)
N1—K1—O1ii0K2xlv—O2—H3x76.38 (4)
N1—K1—O1iii0K2xlv—O2—H4xlviii88.90 (4)
N1—K1—O1iv0K2xlv—O2—H4l112.37 (5)
N1—K1—O1v0K2xlv—O2—H4x106.61 (5)
N1—K1—O1vi0K2xlv—O2—H4lii82.58 (4)
N1—K1—O2vii0K2xlv—O2—H4xxxiii99.83 (5)
N1—K1—O2viii0K2xlv—O2—H5xlviii90.68 (5)
N1—K1—O2ix0K2x—O2—N2x0.0 (5)
N1—K1—O2x0K2x—O2—S1xxv147.63 (9)
N1—K1—O2xi0K2x—O2—O1xxv175.42 (8)
N1—K1—O2xii0K2x—O2—O2xv123.72 (6)
N1—K1—H1xiii0K2x—O2—O2xvi123.66 (6)
N1—K1—H10K2x—O2—H1xlix138.54 (6)
N1—K1—H1xiv0K2x—O2—H1l138.60 (5)
N1—K1—H1xv0K2x—O2—H2xxxiv77.93 (4)
N1—K1—H1xvi0K2x—O2—H2xxxv78.22 (4)
N1—K1—H1xvii0K2x—O2—H2li66.20 (3)
N1—K1—H40K2x—O2—H2xxx66.11 (3)
N1—K1—H4xv0K2x—O2—H2xxxiii15.76 (2)
N1—K1—H4xvi0K2x—O2—H3x16.95 (2)
N1—K1—H4xviii0K2x—O2—H4xlviii107.39 (6)
N1—K1—H4xix0K2x—O2—H4l107.14 (6)
N1—K1—H4xx0K2x—O2—H4x85.52 (5)
N1—K1—H50K2x—O2—H4lii85.70 (5)
N1—K1—H5xviii0K2x—O2—H4xxxiii103.57 (7)
O1i—K1—O1ii119.817 (9)K2x—O2—H5xlviii71.75 (5)
O1i—K1—O1iii119.817 (9)N2xxxiv—O2—S1xxv100.31 (6)
O1i—K1—O1iv60.183 (9)N2xxxiv—O2—O1xxv106.61 (4)
O1i—K1—O1v60.183 (9)N2xxxiv—O2—O2xv124.19 (7)
O1i—K1—O1vi180.0 (5)N2xxxiv—O2—O2xvi66.87 (4)
O1i—K1—O2vii71.85 (4)N2xxxiv—O2—H1xlix73.34 (3)
O1i—K1—O2viii71.81 (5)N2xxxiv—O2—H1l141.13 (5)
O1i—K1—O2ix135.83 (6)N2xxxiv—O2—H2xxxiv9.008 (13)
O1i—K1—O2x108.15 (4)N2xxxiv—O2—H2xxxv145.17 (6)
O1i—K1—O2xi108.19 (5)N2xxxiv—O2—H2li15.657 (8)
O1i—K1—O2xii44.17 (6)N2xxxiv—O2—H2xxx139.84 (6)
O1i—K1—H1xiii30.092 (6)N2xxxiv—O2—H2xxxiii72.88 (3)
O1i—K1—H1149.908 (6)N2xxxiv—O2—H3x76.30 (4)
O1i—K1—H1xiv90.000 (8)N2xxxiv—O2—H4xlviii112.30 (5)
O1i—K1—H1xv90.000 (8)N2xxxiv—O2—H4l88.72 (4)
O1i—K1—H1xvi30.092 (6)N2xxxiv—O2—H4x82.72 (4)
O1i—K1—H1xvii149.908 (6)N2xxxiv—O2—H4lii106.84 (5)
O1i—K1—H4113.72 (3)N2xxxiv—O2—H4xxxiii99.35 (5)
O1i—K1—H4xv27.58 (5)N2xxxiv—O2—H5xlviii90.64 (5)
O1i—K1—H4xvi114.80 (3)N2xlv—O2—S1xxv100.40 (6)
O1i—K1—H4xviii66.28 (3)N2xlv—O2—O1xxv106.68 (4)
O1i—K1—H4xix152.42 (5)N2xlv—O2—O2xv66.97 (4)
O1i—K1—H4xx65.20 (3)N2xlv—O2—O2xvi124.28 (7)
O1i—K1—H592.46 (5)N2xlv—O2—H1xlix141.18 (5)
O1i—K1—H5xviii87.54 (5)N2xlv—O2—H1l73.40 (3)
O1ii—K1—O1iii119.817 (8)N2xlv—O2—H2xxxiv145.09 (6)
O1ii—K1—O1iv60.183 (8)N2xlv—O2—H2xxxv9.323 (12)
O1ii—K1—O1v180.0 (5)N2xlv—O2—H2li139.96 (6)
O1ii—K1—O1vi60.183 (9)N2xlv—O2—H2xxx15.753 (8)
O1ii—K1—O2vii135.83 (6)N2xlv—O2—H2xxxiii72.59 (3)
O1ii—K1—O2viii71.85 (5)N2xlv—O2—H3x76.35 (4)
O1ii—K1—O2ix71.81 (5)N2xlv—O2—H4xlviii88.95 (3)
O1ii—K1—O2x44.17 (6)N2xlv—O2—H4l112.41 (4)
O1ii—K1—O2xi108.15 (5)N2xlv—O2—H4x106.64 (5)
O1ii—K1—O2xii108.19 (5)N2xlv—O2—H4lii82.61 (3)
O1ii—K1—H1xiii149.908 (7)N2xlv—O2—H4xxxiii99.87 (5)
O1ii—K1—H130.092 (7)N2xlv—O2—H5xlviii90.70 (4)
O1ii—K1—H1xiv30.092 (6)N2x—O2—S1xxv147.66 (9)
O1ii—K1—H1xv149.908 (6)N2x—O2—O1xxv175.39 (8)
O1ii—K1—H1xvi90.000 (7)N2x—O2—O2xv123.75 (6)
O1ii—K1—H1xvii90.000 (7)N2x—O2—O2xvi123.69 (6)
O1ii—K1—H4114.80 (3)N2x—O2—H1xlix138.52 (6)
O1ii—K1—H4xv113.72 (3)N2x—O2—H1l138.59 (5)
O1ii—K1—H4xvi27.58 (5)N2x—O2—H2xxxiv77.94 (4)
O1ii—K1—H4xviii65.20 (3)N2x—O2—H2xxxv78.23 (4)
O1ii—K1—H4xix66.28 (3)N2x—O2—H2li66.19 (3)
O1ii—K1—H4xx152.42 (5)N2x—O2—H2xxx66.11 (3)
O1ii—K1—H592.46 (5)N2x—O2—H2xxxiii15.794 (10)
O1ii—K1—H5xviii87.54 (5)N2x—O2—H3x16.916 (12)
O1iii—K1—O1iv180.0 (5)N2x—O2—H4xlviii107.35 (5)
O1iii—K1—O1v60.183 (8)N2x—O2—H4l107.10 (5)
O1iii—K1—O1vi60.183 (9)N2x—O2—H4x85.48 (5)
O1iii—K1—O2vii71.81 (4)N2x—O2—H4lii85.66 (5)
O1iii—K1—O2viii135.83 (6)N2x—O2—H4xxxiii103.54 (7)
O1iii—K1—O2ix71.85 (5)N2x—O2—H5xlviii71.72 (5)
O1iii—K1—O2x108.19 (4)S1xxv—O2—O1xxv36.95 (6)
O1iii—K1—O2xi44.17 (6)S1xxv—O2—O2xv34.45 (5)
O1iii—K1—O2xii108.15 (5)S1xxv—O2—O2xvi34.45 (5)
O1iii—K1—H1xiii90.000 (7)S1xxv—O2—H1xlix63.71 (5)
O1iii—K1—H190.000 (7)S1xxv—O2—H1l63.75 (5)
O1iii—K1—H1xiv149.908 (6)S1xxv—O2—H2xxxiv92.55 (6)
O1iii—K1—H1xv30.092 (6)S1xxv—O2—H2xxxv92.31 (7)
O1iii—K1—H1xvi149.908 (7)S1xxv—O2—H2li114.27 (6)
O1iii—K1—H1xvii30.092 (7)S1xxv—O2—H2xxx114.49 (6)
O1iii—K1—H427.58 (5)S1xxv—O2—H2xxxiii131.87 (9)
O1iii—K1—H4xv114.80 (3)S1xxv—O2—H3x164.58 (10)
O1iii—K1—H4xvi113.72 (3)S1xxv—O2—H4xlviii104.27 (7)
O1iii—K1—H4xviii152.42 (5)S1xxv—O2—H4l104.47 (7)
O1iii—K1—H4xix65.20 (3)S1xxv—O2—H4x125.93 (8)
O1iii—K1—H4xx66.28 (3)S1xxv—O2—H4lii125.77 (8)
O1iii—K1—H592.46 (5)S1xxv—O2—H4xxxiii108.80 (8)
O1iii—K1—H5xviii87.54 (5)S1xxv—O2—H5xlviii140.62 (9)
O1iv—K1—O1v119.817 (8)O1xxv—O2—O2xv60.01 (6)
O1iv—K1—O1vi119.817 (9)O1xxv—O2—O2xvi60.01 (6)
O1iv—K1—O2vii108.19 (4)O1xxv—O2—H1xlix39.12 (3)
O1iv—K1—O2viii44.17 (6)O1xxv—O2—H1l39.13 (3)
O1iv—K1—O2ix108.15 (5)O1xxv—O2—H2xxxiv103.13 (5)
O1iv—K1—O2x71.81 (4)O1xxv—O2—H2xxxv102.95 (5)
O1iv—K1—O2xi135.83 (6)O1xxv—O2—H2li113.01 (4)
O1iv—K1—O2xii71.85 (5)O1xxv—O2—H2xxx113.19 (4)
O1iv—K1—H1xiii90.000 (7)O1xxv—O2—H2xxxiii168.82 (9)
O1iv—K1—H190.000 (7)O1xxv—O2—H3x158.47 (9)
O1iv—K1—H1xiv30.092 (6)O1xxv—O2—H4xlviii68.16 (5)
O1iv—K1—H1xv149.908 (6)O1xxv—O2—H4l68.39 (5)
O1iv—K1—H1xvi30.092 (7)O1xxv—O2—H4x90.00 (6)
O1iv—K1—H1xvii149.908 (7)O1xxv—O2—H4lii89.85 (6)
O1iv—K1—H4152.42 (5)O1xxv—O2—H4xxxiii71.85 (6)
O1iv—K1—H4xv65.20 (3)O1xxv—O2—H5xlviii103.67 (7)
O1iv—K1—H4xvi66.28 (3)O2xv—O2—O2xvi60.00 (6)
O1iv—K1—H4xviii27.58 (5)O2xv—O2—H1xlix95.71 (7)
O1iv—K1—H4xix114.80 (3)O2xv—O2—H1l62.76 (5)
O1iv—K1—H4xx113.72 (3)O2xv—O2—H2xxxiv115.20 (8)
O1iv—K1—H587.54 (5)O2xv—O2—H2xxxv58.36 (5)
O1iv—K1—H5xviii92.46 (5)O2xv—O2—H2li139.84 (7)
O1v—K1—O1vi119.817 (9)O2xv—O2—H2xxx82.09 (5)
O1v—K1—O2vii44.17 (6)O2xv—O2—H2xxxiii110.62 (6)
O1v—K1—O2viii108.15 (5)O2xv—O2—H3x136.48 (7)
O1v—K1—O2ix108.19 (5)O2xv—O2—H4xlviii110.47 (6)
O1v—K1—O2x135.83 (6)O2xv—O2—H4l124.20 (6)
O1v—K1—O2xi71.85 (5)O2xv—O2—H4x143.02 (6)
O1v—K1—O2xii71.81 (5)O2xv—O2—H4lii125.42 (6)
O1v—K1—H1xiii30.092 (7)O2xv—O2—H4xxxiii121.26 (7)
O1v—K1—H1149.908 (7)O2xv—O2—H5xlviii143.70 (7)
O1v—K1—H1xiv149.908 (6)O2xvi—O2—H1xlix62.71 (5)
O1v—K1—H1xv30.092 (6)O2xvi—O2—H1l95.74 (7)
O1v—K1—H1xvi90.000 (7)O2xvi—O2—H2xxxiv58.60 (4)
O1v—K1—H1xvii90.000 (7)O2xvi—O2—H2xxxv114.97 (8)
O1v—K1—H465.20 (3)O2xvi—O2—H2li81.87 (4)
O1v—K1—H4xv66.28 (3)O2xvi—O2—H2xxx140.03 (7)
O1v—K1—H4xvi152.42 (5)O2xvi—O2—H2xxxiii110.75 (6)
O1v—K1—H4xviii114.80 (3)O2xvi—O2—H3x136.38 (6)
O1v—K1—H4xix113.72 (3)O2xvi—O2—H4xlviii123.90 (6)
O1v—K1—H4xx27.58 (5)O2xvi—O2—H4l110.50 (6)
O1v—K1—H587.54 (5)O2xvi—O2—H4x125.58 (6)
O1v—K1—H5xviii92.46 (5)O2xvi—O2—H4lii142.94 (6)
O1vi—K1—O2vii108.15 (4)O2xvi—O2—H4xxxiii120.91 (7)
O1vi—K1—O2viii108.19 (5)O2xvi—O2—H5xlviii143.58 (7)
O1vi—K1—O2ix44.17 (6)H1xlix—O2—H1l67.81 (4)
O1vi—K1—O2x71.85 (4)H1xlix—O2—H2xxxiv73.45 (3)
O1vi—K1—O2xi71.81 (5)H1xlix—O2—H2xxxv140.37 (6)
O1vi—K1—O2xii135.83 (6)H1xlix—O2—H2li75.50 (3)
O1vi—K1—H1xiii149.908 (6)H1xlix—O2—H2xxx139.55 (5)
O1vi—K1—H130.092 (6)H1xlix—O2—H2xxxiii145.02 (5)
O1vi—K1—H1xiv90.000 (8)H1xlix—O2—H3x127.81 (6)
O1vi—K1—H1xv90.000 (8)H1xlix—O2—H4xlviii63.96 (3)
O1vi—K1—H1xvi149.908 (6)H1xlix—O2—H4l47.89 (2)
O1vi—K1—H1xvii30.092 (6)H1xlix—O2—H4x65.89 (3)
O1vi—K1—H466.28 (3)H1xlix—O2—H4lii80.36 (4)
O1vi—K1—H4xv152.42 (5)H1xlix—O2—H4xxxiii58.37 (3)
O1vi—K1—H4xvi65.20 (3)H1xlix—O2—H5xlviii84.06 (5)
O1vi—K1—H4xviii113.72 (3)H1l—O2—H2xxxiv140.50 (6)
O1vi—K1—H4xix27.58 (5)H1l—O2—H2xxxv73.38 (3)
O1vi—K1—H4xx114.80 (3)H1l—O2—H2li139.45 (5)
O1vi—K1—H587.54 (5)H1l—O2—H2xxx75.65 (3)
O1vi—K1—H5xviii92.46 (5)H1l—O2—H2xxxiii144.79 (5)
O2vii—K1—O2viii72.98 (5)H1l—O2—H3x127.87 (6)
O2vii—K1—O2ix72.98 (5)H1l—O2—H4xlviii47.79 (2)
O2vii—K1—O2x180.0 (5)H1l—O2—H4l64.22 (3)
O2vii—K1—O2xi107.02 (5)H1l—O2—H4x80.37 (4)
O2vii—K1—O2xii107.02 (5)H1l—O2—H4lii65.66 (3)
O2vii—K1—H1xiii53.52 (3)H1l—O2—H4xxxiii58.70 (3)
O2vii—K1—H1126.48 (3)H1l—O2—H5xlviii84.09 (5)
O2vii—K1—H1xiv126.51 (3)H2xxxiv—O2—H2xxxv142.46 (7)
O2vii—K1—H1xv53.49 (3)H2xxxiv—O2—H2li24.643 (19)
O2vii—K1—H1xvi90.02 (2)H2xxxiv—O2—H2xxx143.55 (6)
O2vii—K1—H1xvii89.98 (2)H2xxxiv—O2—H2xxxiii74.63 (4)
O2vii—K1—H493.47 (3)H2xxxiv—O2—H3x82.60 (5)
O2vii—K1—H4xv94.18 (3)H2xxxiv—O2—H4xlviii119.19 (5)
O2vii—K1—H4xvi163.40 (3)H2xxxiv—O2—H4l95.13 (4)
O2vii—K1—H4xviii86.53 (3)H2xxxiv—O2—H4x90.98 (5)
O2vii—K1—H4xix85.82 (3)H2xxxiv—O2—H4lii115.46 (6)
O2vii—K1—H4xx16.60 (3)H2xxxiv—O2—H4xxxiii106.41 (6)
O2vii—K1—H543.37 (3)H2xxxiv—O2—H5xlviii99.58 (6)
O2vii—K1—H5xviii136.63 (3)H2xxxv—O2—H2li143.88 (6)
O2viii—K1—O2ix72.98 (4)H2xxxv—O2—H2xxx25.058 (17)
O2viii—K1—O2x107.02 (5)H2xxxv—O2—H2xxxiii74.54 (4)
O2viii—K1—O2xi180.0 (5)H2xxxv—O2—H3x82.96 (5)
O2viii—K1—O2xii107.02 (4)H2xxxv—O2—H4xlviii95.46 (4)
O2viii—K1—H1xiii89.98 (4)H2xxxv—O2—H4l119.47 (5)
O2viii—K1—H190.02 (4)H2xxxv—O2—H4x115.52 (6)
O2viii—K1—H1xiv53.52 (4)H2xxxv—O2—H4lii91.09 (4)
O2viii—K1—H1xv126.48 (4)H2xxxv—O2—H4xxxiii107.10 (5)
O2viii—K1—H1xvi53.49 (3)H2xxxv—O2—H5xlviii99.94 (6)
O2viii—K1—H1xvii126.51 (3)H2li—O2—H2xxx129.62 (6)
O2viii—K1—H4163.40 (3)H2li—O2—H2xxxiii69.53 (3)
O2viii—K1—H4xv93.47 (3)H2li—O2—H3x64.85 (3)
O2viii—K1—H4xvi94.18 (4)H2li—O2—H4xlviii100.69 (4)
O2viii—K1—H4xviii16.60 (3)H2li—O2—H4l78.67 (3)
O2viii—K1—H4xix86.53 (3)H2li—O2—H4x69.10 (3)
O2viii—K1—H4xx85.82 (4)H2li—O2—H4lii92.22 (4)
O2viii—K1—H543.37 (3)H2li—O2—H4xxxiii87.77 (5)
O2viii—K1—H5xviii136.63 (3)H2li—O2—H5xlviii75.34 (4)
O2ix—K1—O2x107.02 (5)H2xxx—O2—H2xxxiii69.15 (3)
O2ix—K1—O2xi107.02 (4)H2xxx—O2—H3x64.77 (3)
O2ix—K1—O2xii180.0 (5)H2xxx—O2—H4xlviii78.93 (3)
O2ix—K1—H1xiii126.51 (4)H2xxx—O2—H4l100.72 (4)
O2ix—K1—H153.49 (4)H2xxx—O2—H4x91.94 (4)
O2ix—K1—H1xiv89.98 (4)H2xxx—O2—H4lii68.98 (3)
O2ix—K1—H1xv90.02 (4)H2xxx—O2—H4xxxiii88.25 (4)
O2ix—K1—H1xvi126.48 (2)H2xxx—O2—H5xlviii75.32 (4)
O2ix—K1—H1xvii53.52 (2)H2xxxiii—O2—H3x32.71 (2)
O2ix—K1—H494.18 (3)H2xxxiii—O2—H4xlviii122.68 (6)
O2ix—K1—H4xv163.40 (3)H2xxxiii—O2—H4l122.50 (6)
O2ix—K1—H4xvi93.47 (4)H2xxxiii—O2—H4x100.94 (6)
O2ix—K1—H4xviii85.82 (3)H2xxxiii—O2—H4lii101.03 (5)
O2ix—K1—H4xix16.60 (3)H2xxxiii—O2—H4xxxiii119.33 (8)
O2ix—K1—H4xx86.53 (4)H2xxxiii—O2—H5xlviii87.51 (6)
O2ix—K1—H543.37 (3)H3x—O2—H4xlviii90.82 (5)
O2ix—K1—H5xviii136.63 (3)H3x—O2—H4l90.58 (5)
O2x—K1—O2xi72.98 (5)H3x—O2—H4x68.99 (5)
O2x—K1—O2xii72.98 (5)H3x—O2—H4lii69.18 (4)
O2x—K1—H1xiii126.48 (3)H3x—O2—H4xxxiii86.62 (6)
O2x—K1—H153.52 (3)H3x—O2—H5xlviii54.80 (4)
O2x—K1—H1xiv53.49 (3)H4xlviii—O2—H4l24.237 (13)
O2x—K1—H1xv126.51 (3)H4xlviii—O2—H4x33.081 (18)
O2x—K1—H1xvi89.98 (2)H4xlviii—O2—H4lii21.692 (11)
O2x—K1—H1xvii90.02 (2)H4xlviii—O2—H4xxxiii12.994 (12)
O2x—K1—H486.53 (3)H4xlviii—O2—H5xlviii37.74 (2)
O2x—K1—H4xv85.82 (3)H4l—O2—H4x21.618 (11)
O2x—K1—H4xvi16.60 (3)H4l—O2—H4lii33.059 (18)
O2x—K1—H4xviii93.47 (3)H4l—O2—H4xxxiii12.570 (12)
O2x—K1—H4xix94.18 (3)H4l—O2—H5xlviii37.54 (2)
O2x—K1—H4xx163.40 (3)H4x—O2—H4lii25.152 (15)
O2x—K1—H5136.63 (3)H4x—O2—H4xxxiii21.76 (2)
O2x—K1—H5xviii43.37 (3)H4x—O2—H5xlviii18.411 (15)
O2xi—K1—O2xii72.98 (4)H4lii—O2—H4xxxiii22.03 (2)
O2xi—K1—H1xiii90.02 (4)H4lii—O2—H5xlviii18.689 (14)
O2xi—K1—H189.98 (4)H4xxxiii—O2—H5xlviii31.82 (3)
O2xi—K1—H1xiv126.48 (4)K1—H1—K1xl180.0 (5)
O2xi—K1—H1xv53.52 (4)K1—H1—N10.0 (5)
O2xi—K1—H1xvi126.51 (3)K1—H1—N1xl180.0 (5)
O2xi—K1—H1xvii53.49 (3)K1—H1—S1ii90.000 (5)
O2xi—K1—H416.60 (3)K1—H1—S1vi90.000 (5)
O2xi—K1—H4xv86.53 (3)K1—H1—O1ii90.000 (7)
O2xi—K1—H4xvi85.82 (4)K1—H1—O1vi90.000 (7)
O2xi—K1—H4xviii163.40 (3)K1—H1—O2liii117.27 (4)
O2xi—K1—H4xix93.47 (3)K1—H1—O2ix62.74 (4)
O2xi—K1—H4xx94.18 (4)K1—H1—O2x62.73 (4)
O2xi—K1—H5136.63 (3)K1—H1—O2xxxiii117.26 (4)
O2xi—K1—H5xviii43.37 (3)K1—H1—H1xiv60.000 (7)
O2xii—K1—H1xiii53.49 (4)K1—H1—H1xxxviii120.000 (7)
O2xii—K1—H1126.51 (4)K1—H1—H1xxxix120.000 (7)
O2xii—K1—H1xiv90.02 (4)K1—H1—H1xvii60.000 (7)
O2xii—K1—H1xv89.98 (4)K1—H1—H2ii90.153 (2)
O2xii—K1—H1xvi53.52 (2)K1—H1—H2vi89.847 (2)
O2xii—K1—H1xvii126.48 (2)K1—H1—H416.378 (4)
O2xii—K1—H485.82 (3)K1—H1—H4xl163.531 (4)
O2xii—K1—H4xv16.60 (3)K1—H1—H4xxxviii165.852 (3)
O2xii—K1—H4xvi86.53 (4)K1—H1—H4xvi13.970 (3)
O2xii—K1—H4xviii94.18 (3)K1—H1—H4xviii16.469 (4)
O2xii—K1—H4xix163.40 (3)K1—H1—H4xli163.622 (4)
O2xii—K1—H4xx93.47 (4)K1—H1—H4xix14.148 (3)
O2xii—K1—H5136.63 (3)K1—H1—H4xlii166.030 (3)
O2xii—K1—H5xviii43.37 (3)K1—H1—H524.2853 (16)
H1xiii—K1—H1180.0 (5)K1—H1—H5xl155.7147 (16)
H1xiii—K1—H1xiv120.000 (7)K1—H1—H5xviii24.2853 (16)
H1xiii—K1—H1xv60.000 (7)K1—H1—H5xli155.7147 (16)
H1xiii—K1—H1xvi60.000 (7)K1xl—H1—N1180.0 (5)
H1xiii—K1—H1xvii120.000 (7)K1xl—H1—N1xl0.0 (5)
H1xiii—K1—H489.431 (6)K1xl—H1—S1ii90.000 (5)
H1xiii—K1—H4xv41.869 (4)K1xl—H1—S1vi90.000 (5)
H1xiii—K1—H4xvi138.991 (4)K1xl—H1—O1ii90.000 (7)
H1xiii—K1—H4xviii90.569 (6)K1xl—H1—O1vi90.000 (7)
H1xiii—K1—H4xix138.131 (4)K1xl—H1—O2liii62.73 (4)
H1xiii—K1—H4xx41.009 (4)K1xl—H1—O2ix117.26 (4)
H1xiii—K1—H590K1xl—H1—O2x117.27 (4)
H1xiii—K1—H5xviii90K1xl—H1—O2xxxiii62.74 (4)
H1—K1—H1xiv60.000 (7)K1xl—H1—H1xiv120.000 (7)
H1—K1—H1xv120.000 (7)K1xl—H1—H1xxxviii60.000 (7)
H1—K1—H1xvi120.000 (7)K1xl—H1—H1xxxix60.000 (7)
H1—K1—H1xvii60.000 (7)K1xl—H1—H1xvii120.000 (7)
H1—K1—H490.569 (6)K1xl—H1—H2ii89.847 (2)
H1—K1—H4xv138.131 (4)K1xl—H1—H2vi90.153 (2)
H1—K1—H4xvi41.009 (4)K1xl—H1—H4163.622 (4)
H1—K1—H4xviii89.431 (6)K1xl—H1—H4xl16.469 (4)
H1—K1—H4xix41.869 (4)K1xl—H1—H4xxxviii14.148 (3)
H1—K1—H4xx138.991 (4)K1xl—H1—H4xvi166.030 (3)
H1—K1—H590K1xl—H1—H4xviii163.531 (4)
H1—K1—H5xviii90K1xl—H1—H4xli16.378 (4)
H1xiv—K1—H1xv180.0 (5)K1xl—H1—H4xix165.852 (3)
H1xiv—K1—H1xvi60.000 (7)K1xl—H1—H4xlii13.970 (3)
H1xiv—K1—H1xvii120.000 (7)K1xl—H1—H5155.7147 (16)
H1xiv—K1—H4138.991 (4)K1xl—H1—H5xl24.2853 (16)
H1xiv—K1—H4xv89.431 (7)K1xl—H1—H5xviii155.7147 (16)
H1xiv—K1—H4xvi41.869 (4)K1xl—H1—H5xli24.2853 (16)
H1xiv—K1—H4xviii41.009 (4)N1—H1—N1xl180.0 (5)
H1xiv—K1—H4xix90.569 (7)N1—H1—S1ii90.000 (5)
H1xiv—K1—H4xx138.131 (4)N1—H1—S1vi90.000 (5)
H1xiv—K1—H590N1—H1—O1ii90.000 (7)
H1xiv—K1—H5xviii90N1—H1—O1vi90.000 (7)
H1xv—K1—H1xvi120.000 (7)N1—H1—O2liii117.27 (4)
H1xv—K1—H1xvii60.000 (7)N1—H1—O2ix62.74 (4)
H1xv—K1—H441.009 (4)N1—H1—O2x62.73 (4)
H1xv—K1—H4xv90.569 (7)N1—H1—O2xxxiii117.26 (4)
H1xv—K1—H4xvi138.131 (4)N1—H1—H1xiv60.000 (7)
H1xv—K1—H4xviii138.991 (4)N1—H1—H1xxxviii120.000 (7)
H1xv—K1—H4xix89.431 (7)N1—H1—H1xxxix120.000 (7)
H1xv—K1—H4xx41.869 (4)N1—H1—H1xvii60.000 (7)
H1xv—K1—H590N1—H1—H2ii90.153 (2)
H1xv—K1—H5xviii90N1—H1—H2vi89.847 (2)
H1xvi—K1—H1xvii180.0 (5)N1—H1—H416.378 (4)
H1xvi—K1—H4138.131 (5)N1—H1—H4xl163.531 (4)
H1xvi—K1—H4xv41.009 (5)N1—H1—H4xxxviii165.852 (3)
H1xvi—K1—H4xvi90.569 (6)N1—H1—H4xvi13.970 (3)
H1xvi—K1—H4xviii41.869 (5)N1—H1—H4xviii16.469 (4)
H1xvi—K1—H4xix138.991 (5)N1—H1—H4xli163.622 (4)
H1xvi—K1—H4xx89.431 (6)N1—H1—H4xix14.148 (3)
H1xvi—K1—H590N1—H1—H4xlii166.030 (3)
H1xvi—K1—H5xviii90N1—H1—H524.2853 (16)
H1xvii—K1—H441.869 (5)N1—H1—H5xl155.7147 (16)
H1xvii—K1—H4xv138.991 (5)N1—H1—H5xviii24.2853 (16)
H1xvii—K1—H4xvi89.431 (6)N1—H1—H5xli155.7147 (16)
H1xvii—K1—H4xviii138.131 (5)N1xl—H1—S1ii90.000 (5)
H1xvii—K1—H4xix41.009 (5)N1xl—H1—S1vi90.000 (5)
H1xvii—K1—H4xx90.569 (6)N1xl—H1—O1ii90.000 (7)
H1xvii—K1—H590N1xl—H1—O1vi90.000 (7)
H1xvii—K1—H5xviii90N1xl—H1—O2liii62.73 (4)
H4—K1—H4xv97.127 (7)N1xl—H1—O2ix117.26 (4)
H4—K1—H4xvi97.127 (5)N1xl—H1—O2x117.27 (4)
H4—K1—H4xviii180.0 (5)N1xl—H1—O2xxxiii62.74 (4)
H4—K1—H4xix82.873 (7)N1xl—H1—H1xiv120.000 (7)
H4—K1—H4xx82.873 (5)N1xl—H1—H1xxxviii60.000 (7)
H4—K1—H5120.041 (3)N1xl—H1—H1xxxix60.000 (7)
H4—K1—H5xviii59.959 (3)N1xl—H1—H1xvii120.000 (7)
H4xv—K1—H4xvi97.127 (5)N1xl—H1—H2ii89.847 (2)
H4xv—K1—H4xviii82.873 (7)N1xl—H1—H2vi90.153 (2)
H4xv—K1—H4xix180.0 (5)N1xl—H1—H4163.622 (4)
H4xv—K1—H4xx82.873 (5)N1xl—H1—H4xl16.469 (4)
H4xv—K1—H5120.041 (3)N1xl—H1—H4xxxviii14.148 (3)
H4xv—K1—H5xviii59.959 (3)N1xl—H1—H4xvi166.030 (3)
H4xvi—K1—H4xviii82.873 (5)N1xl—H1—H4xviii163.531 (4)
H4xvi—K1—H4xix82.873 (5)N1xl—H1—H4xli16.378 (4)
H4xvi—K1—H4xx180.0 (5)N1xl—H1—H4xix165.852 (3)
H4xvi—K1—H5120.0414 (16)N1xl—H1—H4xlii13.970 (3)
H4xvi—K1—H5xviii59.9586 (16)N1xl—H1—H5155.7147 (16)
H4xviii—K1—H4xix97.127 (7)N1xl—H1—H5xl24.2853 (16)
H4xviii—K1—H4xx97.127 (5)N1xl—H1—H5xviii155.7147 (16)
H4xviii—K1—H559.959 (3)N1xl—H1—H5xli24.2853 (16)
H4xviii—K1—H5xviii120.041 (3)S1ii—H1—S1vi180.0 (5)
H4xix—K1—H4xx97.127 (5)S1ii—H1—O1ii39.63 (9)
H4xix—K1—H559.959 (3)S1ii—H1—O1vi140.37 (9)
H4xix—K1—H5xviii120.041 (3)S1ii—H1—O2liii146.56 (4)
H4xx—K1—H559.9586 (16)S1ii—H1—O2ix146.54 (3)
H4xx—K1—H5xviii120.0414 (16)S1ii—H1—O2x33.44 (4)
H5—K1—H5xviii180.0 (5)S1ii—H1—O2xxxiii33.46 (3)
K1—N1—O1i0S1ii—H1—H1xiv51.886 (8)
K1—N1—O1ii0S1ii—H1—H1xxxviii128.114 (8)
K1—N1—O1iii0S1ii—H1—H1xxxix51.886 (8)
K1—N1—O1iv0S1ii—H1—H1xvii128.114 (8)
K1—N1—O1v0S1ii—H1—H2ii118.359 (10)
K1—N1—O1vi0S1ii—H1—H2vi61.641 (10)
K1—N1—O2vii0S1ii—H1—H494.298 (5)
K1—N1—O2viii0S1ii—H1—H4xl94.321 (6)
K1—N1—O2ix0S1ii—H1—H4xxxviii75.888 (5)
K1—N1—O2x0S1ii—H1—H4xvi76.089 (5)
K1—N1—O2xi0S1ii—H1—H4xviii85.679 (6)
K1—N1—O2xii0S1ii—H1—H4xli85.702 (5)
K1—N1—H1xiii0S1ii—H1—H4xix104.112 (5)
K1—N1—H10S1ii—H1—H4xlii103.911 (5)
K1—N1—H1xiv0S1ii—H1—H5106.768 (7)
K1—N1—H1xv0S1ii—H1—H5xl106.768 (5)
K1—N1—H1xvi0S1ii—H1—H5xviii73.232 (5)
K1—N1—H1xvii0S1ii—H1—H5xli73.232 (7)
K1—N1—H40S1vi—H1—O1ii140.37 (9)
K1—N1—H4xv0S1vi—H1—O1vi39.63 (9)
K1—N1—H4xvi0S1vi—H1—O2liii33.44 (4)
K1—N1—H4xviii0S1vi—H1—O2ix33.46 (3)
K1—N1—H4xix0S1vi—H1—O2x146.56 (4)
K1—N1—H4xx0S1vi—H1—O2xxxiii146.54 (3)
K1—N1—H50S1vi—H1—H1xiv128.114 (8)
K1—N1—H5xviii0S1vi—H1—H1xxxviii51.886 (8)
O1i—N1—O1ii119.817 (9)S1vi—H1—H1xxxix128.114 (8)
O1i—N1—O1iii119.817 (9)S1vi—H1—H1xvii51.886 (8)
O1i—N1—O1iv60.183 (9)S1vi—H1—H2ii61.641 (10)
O1i—N1—O1v60.183 (9)S1vi—H1—H2vi118.359 (10)
O1i—N1—O1vi180.0 (5)S1vi—H1—H485.702 (5)
O1i—N1—O2vii71.85 (4)S1vi—H1—H4xl85.679 (6)
O1i—N1—O2viii71.81 (5)S1vi—H1—H4xxxviii104.112 (5)
O1i—N1—O2ix135.83 (6)S1vi—H1—H4xvi103.911 (5)
O1i—N1—O2x108.15 (4)S1vi—H1—H4xviii94.321 (6)
O1i—N1—O2xi108.19 (5)S1vi—H1—H4xli94.298 (5)
O1i—N1—O2xii44.17 (6)S1vi—H1—H4xix75.888 (5)
O1i—N1—H1xiii30.092 (6)S1vi—H1—H4xlii76.089 (5)
O1i—N1—H1149.908 (6)S1vi—H1—H573.232 (7)
O1i—N1—H1xiv90.000 (8)S1vi—H1—H5xl73.232 (5)
O1i—N1—H1xv90.000 (8)S1vi—H1—H5xviii106.768 (5)
O1i—N1—H1xvi30.092 (6)S1vi—H1—H5xli106.768 (7)
O1i—N1—H1xvii149.908 (6)O1ii—H1—O1vi180.0 (5)
O1i—N1—H4113.72 (3)O1ii—H1—O2liii116.58 (9)
O1i—N1—H4xv27.58 (5)O1ii—H1—O2ix116.54 (8)
O1i—N1—H4xvi114.80 (3)O1ii—H1—O2x63.42 (9)
O1i—N1—H4xviii66.28 (3)O1ii—H1—O2xxxiii63.46 (8)
O1i—N1—H4xix152.42 (5)O1ii—H1—H1xiv30.363 (15)
O1i—N1—H4xx65.20 (3)O1ii—H1—H1xxxviii149.637 (15)
O1i—N1—H592.46 (5)O1ii—H1—H1xxxix30.363 (14)
O1i—N1—H5xviii87.54 (5)O1ii—H1—H1xvii149.637 (14)
O1ii—N1—O1iii119.817 (8)O1ii—H1—H2ii78.73 (9)
O1ii—N1—O1iv60.183 (8)O1ii—H1—H2vi101.27 (9)
O1ii—N1—O1v180.0 (5)O1ii—H1—H4103.361 (17)
O1ii—N1—O1vi60.183 (9)O1ii—H1—H4xl103.435 (17)
O1ii—N1—O2vii135.83 (6)O1ii—H1—H4xxxviii79.818 (17)
O1ii—N1—O2viii71.85 (5)O1ii—H1—H4xvi80.138 (17)
O1ii—N1—O2ix71.81 (5)O1ii—H1—H4xviii76.565 (17)
O1ii—N1—O2x44.17 (6)O1ii—H1—H4xli76.639 (17)
O1ii—N1—O2xi108.15 (5)O1ii—H1—H4xix100.182 (17)
O1ii—N1—O2xii108.19 (5)O1ii—H1—H4xlii99.862 (17)
O1ii—N1—H1xiii149.908 (7)O1ii—H1—H592.02 (4)
O1ii—N1—H130.092 (7)O1ii—H1—H5xl92.02 (4)
O1ii—N1—H1xiv30.092 (6)O1ii—H1—H5xviii87.98 (4)
O1ii—N1—H1xv149.908 (6)O1ii—H1—H5xli87.98 (4)
O1ii—N1—H1xvi90.000 (7)O1vi—H1—O2liii63.42 (9)
O1ii—N1—H1xvii90.000 (7)O1vi—H1—O2ix63.46 (8)
O1ii—N1—H4114.80 (3)O1vi—H1—O2x116.58 (9)
O1ii—N1—H4xv113.72 (3)O1vi—H1—O2xxxiii116.54 (8)
O1ii—N1—H4xvi27.58 (5)O1vi—H1—H1xiv149.637 (15)
O1ii—N1—H4xviii65.20 (3)O1vi—H1—H1xxxviii30.363 (15)
O1ii—N1—H4xix66.28 (3)O1vi—H1—H1xxxix149.637 (14)
O1ii—N1—H4xx152.42 (5)O1vi—H1—H1xvii30.363 (14)
O1ii—N1—H592.46 (5)O1vi—H1—H2ii101.27 (9)
O1ii—N1—H5xviii87.54 (5)O1vi—H1—H2vi78.73 (9)
O1iii—N1—O1iv180.0 (5)O1vi—H1—H476.639 (17)
O1iii—N1—O1v60.183 (8)O1vi—H1—H4xl76.565 (17)
O1iii—N1—O1vi60.183 (9)O1vi—H1—H4xxxviii100.182 (17)
O1iii—N1—O2vii71.81 (4)O1vi—H1—H4xvi99.862 (17)
O1iii—N1—O2viii135.83 (6)O1vi—H1—H4xviii103.435 (17)
O1iii—N1—O2ix71.85 (5)O1vi—H1—H4xli103.361 (17)
O1iii—N1—O2x108.19 (4)O1vi—H1—H4xix79.818 (17)
O1iii—N1—O2xi44.17 (6)O1vi—H1—H4xlii80.138 (17)
O1iii—N1—O2xii108.15 (5)O1vi—H1—H587.98 (4)
O1iii—N1—H1xiii90.000 (7)O1vi—H1—H5xl87.98 (4)
O1iii—N1—H190.000 (7)O1vi—H1—H5xviii92.02 (4)
O1iii—N1—H1xiv149.908 (6)O1vi—H1—H5xli92.02 (4)
O1iii—N1—H1xv30.092 (6)O2liii—H1—O2ix54.53 (6)
O1iii—N1—H1xvi149.908 (7)O2liii—H1—O2x180.0 (5)
O1iii—N1—H1xvii30.092 (7)O2liii—H1—O2xxxiii125.47 (6)
O1iii—N1—H427.58 (5)O2liii—H1—H1xiv123.93 (3)
O1iii—N1—H4xv114.80 (3)O2liii—H1—H1xxxviii56.07 (3)
O1iii—N1—H4xvi113.72 (3)O2liii—H1—H1xxxix95.73 (4)
O1iii—N1—H4xviii152.42 (5)O2liii—H1—H1xvii84.27 (4)
O1iii—N1—H4xix65.20 (3)O2liii—H1—H2ii48.16 (3)
O1iii—N1—H4xx66.28 (3)O2liii—H1—H2vi131.84 (3)
O1iii—N1—H592.46 (5)O2liii—H1—H4117.41 (4)
O1iii—N1—H5xviii87.54 (5)O2liii—H1—H4xl65.25 (3)
O1iv—N1—O1v119.817 (8)O2liii—H1—H4xxxviii76.37 (4)
O1iv—N1—O1vi119.817 (9)O2liii—H1—H4xvi130.69 (4)
O1iv—N1—O2vii108.19 (4)O2liii—H1—H4xviii114.75 (3)
O1iv—N1—O2viii44.17 (6)O2liii—H1—H4xli62.59 (4)
O1iv—N1—O2ix108.15 (5)O2liii—H1—H4xix103.63 (4)
O1iv—N1—O2x71.81 (4)O2liii—H1—H4xlii49.31 (4)
O1iv—N1—O2xi135.83 (6)O2liii—H1—H595.00 (4)
O1iv—N1—O2xii71.85 (5)O2liii—H1—H5xl41.57 (4)
O1iv—N1—H1xiii90.000 (7)O2liii—H1—H5xviii138.43 (4)
O1iv—N1—H190.000 (7)O2liii—H1—H5xli85.00 (4)
O1iv—N1—H1xiv30.092 (6)O2ix—H1—O2x125.47 (6)
O1iv—N1—H1xv149.908 (6)O2ix—H1—O2xxxiii180.0 (5)
O1iv—N1—H1xvi30.092 (7)O2ix—H1—H1xiv95.71 (3)
O1iv—N1—H1xvii149.908 (7)O2ix—H1—H1xxxviii84.29 (3)
O1iv—N1—H4152.42 (5)O2ix—H1—H1xxxix123.88 (3)
O1iv—N1—H4xv65.20 (3)O2ix—H1—H1xvii56.12 (3)
O1iv—N1—H4xvi66.28 (3)O2ix—H1—H2ii48.31 (4)
O1iv—N1—H4xviii27.58 (5)O2ix—H1—H2vi131.69 (4)
O1iv—N1—H4xix114.80 (3)O2ix—H1—H465.26 (5)
O1iv—N1—H4xx113.72 (3)O2ix—H1—H4xl117.40 (4)
O1iv—N1—H587.54 (5)O2ix—H1—H4xxxviii130.75 (4)
O1iv—N1—H5xviii92.46 (5)O2ix—H1—H4xvi76.28 (4)
O1v—N1—O1vi119.817 (9)O2ix—H1—H4xviii62.60 (4)
O1v—N1—O2vii44.17 (6)O2ix—H1—H4xli114.74 (5)
O1v—N1—O2viii108.15 (5)O2ix—H1—H4xix49.25 (4)
O1v—N1—O2ix108.19 (5)O2ix—H1—H4xlii103.72 (4)
O1v—N1—O2x135.83 (6)O2ix—H1—H541.57 (4)
O1v—N1—O2xi71.85 (5)O2ix—H1—H5xl94.98 (4)
O1v—N1—O2xii71.81 (5)O2ix—H1—H5xviii85.02 (4)
O1v—N1—H1xiii30.092 (7)O2ix—H1—H5xli138.43 (4)
O1v—N1—H1149.908 (7)O2x—H1—O2xxxiii54.53 (6)
O1v—N1—H1xiv149.908 (6)O2x—H1—H1xiv56.07 (3)
O1v—N1—H1xv30.092 (6)O2x—H1—H1xxxviii123.93 (3)
O1v—N1—H1xvi90.000 (7)O2x—H1—H1xxxix84.27 (4)
O1v—N1—H1xvii90.000 (7)O2x—H1—H1xvii95.73 (4)
O1v—N1—H465.20 (3)O2x—H1—H2ii131.84 (3)
O1v—N1—H4xv66.28 (3)O2x—H1—H2vi48.16 (3)
O1v—N1—H4xvi152.42 (5)O2x—H1—H462.59 (4)
O1v—N1—H4xviii114.80 (3)O2x—H1—H4xl114.75 (3)
O1v—N1—H4xix113.72 (3)O2x—H1—H4xxxviii103.63 (4)
O1v—N1—H4xx27.58 (5)O2x—H1—H4xvi49.31 (4)
O1v—N1—H587.54 (5)O2x—H1—H4xviii65.25 (3)
O1v—N1—H5xviii92.46 (5)O2x—H1—H4xli117.41 (4)
O1vi—N1—O2vii108.15 (4)O2x—H1—H4xix76.38 (4)
O1vi—N1—O2viii108.19 (5)O2x—H1—H4xlii130.69 (4)
O1vi—N1—O2ix44.17 (6)O2x—H1—H585.00 (4)
O1vi—N1—O2x71.85 (4)O2x—H1—H5xl138.43 (4)
O1vi—N1—O2xi71.81 (5)O2x—H1—H5xviii41.57 (4)
O1vi—N1—O2xii135.83 (6)O2x—H1—H5xli95.00 (4)
O1vi—N1—H1xiii149.908 (6)O2xxxiii—H1—H1xiv84.29 (3)
O1vi—N1—H130.092 (6)O2xxxiii—H1—H1xxxviii95.71 (3)
O1vi—N1—H1xiv90.000 (8)O2xxxiii—H1—H1xxxix56.12 (3)
O1vi—N1—H1xv90.000 (8)O2xxxiii—H1—H1xvii123.88 (3)
O1vi—N1—H1xvi149.908 (6)O2xxxiii—H1—H2ii131.69 (4)
O1vi—N1—H1xvii30.092 (6)O2xxxiii—H1—H2vi48.31 (4)
O1vi—N1—H466.28 (3)O2xxxiii—H1—H4114.74 (5)
O1vi—N1—H4xv152.42 (5)O2xxxiii—H1—H4xl62.60 (4)
O1vi—N1—H4xvi65.20 (3)O2xxxiii—H1—H4xxxviii49.25 (4)
O1vi—N1—H4xviii113.72 (3)O2xxxiii—H1—H4xvi103.72 (4)
O1vi—N1—H4xix27.58 (5)O2xxxiii—H1—H4xviii117.40 (4)
O1vi—N1—H4xx114.80 (3)O2xxxiii—H1—H4xli65.26 (5)
O1vi—N1—H587.54 (5)O2xxxiii—H1—H4xix130.75 (4)
O1vi—N1—H5xviii92.46 (5)O2xxxiii—H1—H4xlii76.28 (4)
O2vii—N1—O2viii72.98 (5)O2xxxiii—H1—H5138.43 (4)
O2vii—N1—O2ix72.98 (5)O2xxxiii—H1—H5xl85.02 (4)
O2vii—N1—O2x180.0 (5)O2xxxiii—H1—H5xviii94.98 (4)
O2vii—N1—O2xi107.02 (5)O2xxxiii—H1—H5xli41.57 (4)
O2vii—N1—O2xii107.02 (5)H1xiv—H1—H1xxxviii180.0 (5)
O2vii—N1—H1xiii53.52 (3)H1xiv—H1—H1xxxix60.000 (7)
O2vii—N1—H1126.48 (3)H1xiv—H1—H1xvii120.000 (7)
O2vii—N1—H1xiv126.51 (3)H1xiv—H1—H2ii76.109 (2)
O2vii—N1—H1xv53.49 (3)H1xiv—H1—H2vi103.891 (2)
O2vii—N1—H1xvi90.02 (2)H1xiv—H1—H474.436 (7)
O2vii—N1—H1xvii89.98 (2)H1xiv—H1—H4xl133.790 (6)
O2vii—N1—H493.47 (3)H1xiv—H1—H4xxxviii110.172 (7)
O2vii—N1—H4xv94.18 (3)H1xiv—H1—H4xvi51.657 (6)
O2vii—N1—H4xvi163.40 (3)H1xiv—H1—H4xviii46.210 (6)
O2vii—N1—H4xviii86.53 (3)H1xiv—H1—H4xli105.564 (7)
O2vii—N1—H4xix85.82 (3)H1xiv—H1—H4xix69.828 (7)
O2vii—N1—H4xx16.60 (3)H1xiv—H1—H4xlii128.343 (6)
O2vii—N1—H543.37 (3)H1xiv—H1—H562.887 (6)
O2vii—N1—H5xviii136.63 (3)H1xiv—H1—H5xl117.113 (6)
O2viii—N1—O2ix72.98 (4)H1xiv—H1—H5xviii62.887 (6)
O2viii—N1—O2x107.02 (5)H1xiv—H1—H5xli117.113 (6)
O2viii—N1—O2xi180.0 (5)H1xxxviii—H1—H1xxxix120.000 (7)
O2viii—N1—O2xii107.02 (4)H1xxxviii—H1—H1xvii60.000 (7)
O2viii—N1—H1xiii89.98 (4)H1xxxviii—H1—H2ii103.891 (2)
O2viii—N1—H190.02 (4)H1xxxviii—H1—H2vi76.109 (2)
O2viii—N1—H1xiv53.52 (4)H1xxxviii—H1—H4105.564 (7)
O2viii—N1—H1xv126.48 (4)H1xxxviii—H1—H4xl46.210 (6)
O2viii—N1—H1xvi53.49 (3)H1xxxviii—H1—H4xxxviii69.828 (7)
O2viii—N1—H1xvii126.51 (3)H1xxxviii—H1—H4xvi128.343 (6)
O2viii—N1—H4163.40 (3)H1xxxviii—H1—H4xviii133.790 (6)
O2viii—N1—H4xv93.47 (3)H1xxxviii—H1—H4xli74.436 (7)
O2viii—N1—H4xvi94.18 (4)H1xxxviii—H1—H4xix110.172 (7)
O2viii—N1—H4xviii16.60 (3)H1xxxviii—H1—H4xlii51.657 (6)
O2viii—N1—H4xix86.53 (3)H1xxxviii—H1—H5117.113 (6)
O2viii—N1—H4xx85.82 (4)H1xxxviii—H1—H5xl62.887 (6)
O2viii—N1—H543.37 (3)H1xxxviii—H1—H5xviii117.113 (6)
O2viii—N1—H5xviii136.63 (3)H1xxxviii—H1—H5xli62.887 (6)
O2ix—N1—O2x107.02 (5)H1xxxix—H1—H1xvii180.0 (5)
O2ix—N1—O2xi107.02 (4)H1xxxix—H1—H2ii75.9520 (19)
O2ix—N1—O2xii180.0 (5)H1xxxix—H1—H2vi104.0480 (19)
O2ix—N1—H1xiii126.51 (4)H1xxxix—H1—H4133.717 (6)
O2ix—N1—H153.49 (4)H1xxxix—H1—H4xl74.517 (8)
O2ix—N1—H1xiv89.98 (4)H1xxxix—H1—H4xxxviii51.330 (7)
O2ix—N1—H1xv90.02 (4)H1xxxix—H1—H4xvi110.491 (7)
O2ix—N1—H1xvi126.48 (2)H1xxxix—H1—H4xviii105.483 (8)
O2ix—N1—H1xvii53.52 (2)H1xxxix—H1—H4xli46.283 (6)
O2ix—N1—H494.18 (3)H1xxxix—H1—H4xix128.670 (7)
O2ix—N1—H4xv163.40 (3)H1xxxix—H1—H4xlii69.509 (7)
O2ix—N1—H4xvi93.47 (4)H1xxxix—H1—H5117.113 (6)
O2ix—N1—H4xviii85.82 (3)H1xxxix—H1—H5xl62.887 (6)
O2ix—N1—H4xix16.60 (3)H1xxxix—H1—H5xviii117.113 (6)
O2ix—N1—H4xx86.53 (4)H1xxxix—H1—H5xli62.887 (6)
O2ix—N1—H543.37 (3)H1xvii—H1—H2ii104.0480 (19)
O2ix—N1—H5xviii136.63 (3)H1xvii—H1—H2vi75.9520 (19)
O2x—N1—O2xi72.98 (5)H1xvii—H1—H446.283 (6)
O2x—N1—O2xii72.98 (5)H1xvii—H1—H4xl105.483 (8)
O2x—N1—H1xiii126.48 (3)H1xvii—H1—H4xxxviii128.670 (7)
O2x—N1—H153.52 (3)H1xvii—H1—H4xvi69.509 (7)
O2x—N1—H1xiv53.49 (3)H1xvii—H1—H4xviii74.517 (8)
O2x—N1—H1xv126.51 (3)H1xvii—H1—H4xli133.717 (6)
O2x—N1—H1xvi89.98 (2)H1xvii—H1—H4xix51.330 (7)
O2x—N1—H1xvii90.02 (2)H1xvii—H1—H4xlii110.491 (7)
O2x—N1—H486.53 (3)H1xvii—H1—H562.887 (6)
O2x—N1—H4xv85.82 (3)H1xvii—H1—H5xl117.113 (6)
O2x—N1—H4xvi16.60 (3)H1xvii—H1—H5xviii62.887 (6)
O2x—N1—H4xviii93.47 (3)H1xvii—H1—H5xli117.113 (6)
O2x—N1—H4xix94.18 (3)H2ii—H1—H2vi180.0 (5)
O2x—N1—H4xx163.40 (3)H2ii—H1—H4101.898 (2)
O2x—N1—H5136.63 (3)H2ii—H1—H4xl101.663 (2)
O2x—N1—H5xviii43.37 (3)H2ii—H1—H4xxxviii97.379 (2)
O2xi—N1—O2xii72.98 (4)H2ii—H1—H4xvi97.814 (3)
O2xi—N1—H1xiii90.02 (4)H2ii—H1—H4xviii78.337 (2)
O2xi—N1—H189.98 (4)H2ii—H1—H4xli78.102 (2)
O2xi—N1—H1xiv126.48 (4)H2ii—H1—H4xix82.621 (2)
O2xi—N1—H1xv53.52 (4)H2ii—H1—H4xlii82.186 (3)
O2xi—N1—H1xvi126.51 (3)H2ii—H1—H566.887 (2)
O2xi—N1—H1xvii53.49 (3)H2ii—H1—H5xl66.584 (3)
O2xi—N1—H416.60 (3)H2ii—H1—H5xviii113.416 (3)
O2xi—N1—H4xv86.53 (3)H2ii—H1—H5xli113.113 (2)
O2xi—N1—H4xvi85.82 (4)H2vi—H1—H478.102 (2)
O2xi—N1—H4xviii163.40 (3)H2vi—H1—H4xl78.337 (2)
O2xi—N1—H4xix93.47 (3)H2vi—H1—H4xxxviii82.621 (2)
O2xi—N1—H4xx94.18 (4)H2vi—H1—H4xvi82.186 (3)
O2xi—N1—H5136.63 (3)H2vi—H1—H4xviii101.663 (2)
O2xi—N1—H5xviii43.37 (3)H2vi—H1—H4xli101.898 (2)
O2xii—N1—H1xiii53.49 (4)H2vi—H1—H4xix97.379 (2)
O2xii—N1—H1126.51 (4)H2vi—H1—H4xlii97.814 (3)
O2xii—N1—H1xiv90.02 (4)H2vi—H1—H5113.113 (2)
O2xii—N1—H1xv89.98 (4)H2vi—H1—H5xl113.416 (3)
O2xii—N1—H1xvi53.52 (2)H2vi—H1—H5xviii66.584 (3)
O2xii—N1—H1xvii126.48 (2)H2vi—H1—H5xli66.887 (2)
O2xii—N1—H485.82 (3)H4—H1—H4xl147.152 (5)
O2xii—N1—H4xv16.60 (3)H4—H1—H4xxxviii160.7161 (17)
O2xii—N1—H4xvi86.53 (4)H4—H1—H4xvi23.227 (5)
O2xii—N1—H4xviii94.18 (3)H4—H1—H4xviii32.848 (5)
O2xii—N1—H4xix163.40 (3)H4—H1—H4xli180.0 (5)
O2xii—N1—H4xx93.47 (4)H4—H1—H4xix19.2839 (17)
O2xii—N1—H5136.63 (3)H4—H1—H4xlii156.773 (5)
O2xii—N1—H5xviii43.37 (3)H4—H1—H535.268 (3)
H1xiii—N1—H1180.0 (5)H4—H1—H5xl158.841 (3)
H1xiii—N1—H1xiv120.000 (7)H4—H1—H5xviii21.159 (3)
H1xiii—N1—H1xv60.000 (7)H4—H1—H5xli144.732 (3)
H1xiii—N1—H1xvi60.000 (7)H4xl—H1—H4xxxviii23.619 (5)
H1xiii—N1—H1xvii120.000 (7)H4xl—H1—H4xvi160.522 (2)
H1xiii—N1—H489.431 (6)H4xl—H1—H4xviii180.0 (5)
H1xiii—N1—H4xv41.869 (4)H4xl—H1—H4xli32.848 (5)
H1xiii—N1—H4xvi138.991 (4)H4xl—H1—H4xix156.381 (5)
H1xiii—N1—H4xviii90.569 (6)H4xl—H1—H4xlii19.478 (2)
H1xiii—N1—H4xix138.131 (4)H4xl—H1—H5158.826 (3)
H1xiii—N1—H4xx41.009 (4)H4xl—H1—H5xl35.340 (3)
H1xiii—N1—H590H4xl—H1—H5xviii144.660 (3)
H1xiii—N1—H5xviii90H4xl—H1—H5xli21.174 (3)
H1—N1—H1xiv60.000 (7)H4xxxviii—H1—H4xvi151.883 (4)
H1—N1—H1xv120.000 (7)H4xxxviii—H1—H4xviii156.381 (5)
H1—N1—H1xvi120.000 (7)H4xxxviii—H1—H4xli19.2839 (17)
H1—N1—H1xvii60.000 (7)H4xxxviii—H1—H4xix180.0 (5)
H1—N1—H490.569 (6)H4xxxviii—H1—H4xlii28.117 (4)
H1—N1—H4xv138.131 (4)H4xxxviii—H1—H5163.590 (3)
H1—N1—H4xvi41.009 (4)H4xxxviii—H1—H5xl36.055 (3)
H1—N1—H4xviii89.431 (6)H4xxxviii—H1—H5xviii143.945 (3)
H1—N1—H4xix41.869 (4)H4xxxviii—H1—H5xli16.410 (3)
H1—N1—H4xx138.991 (4)H4xvi—H1—H4xviii19.478 (2)
H1—N1—H590H4xvi—H1—H4xli156.773 (5)
H1—N1—H5xviii90H4xvi—H1—H4xix28.117 (4)
H1xiv—N1—H1xv180.0 (5)H4xvi—H1—H4xlii180.0 (5)
H1xiv—N1—H1xvi60.000 (7)H4xvi—H1—H536.021 (3)
H1xiv—N1—H1xvii120.000 (7)H4xvi—H1—H5xl163.801 (3)
H1xiv—N1—H4138.991 (4)H4xvi—H1—H5xviii16.199 (3)
H1xiv—N1—H4xv89.431 (7)H4xvi—H1—H5xli143.979 (3)
H1xiv—N1—H4xvi41.869 (4)H4xviii—H1—H4xli147.152 (5)
H1xiv—N1—H4xviii41.009 (4)H4xviii—H1—H4xix23.619 (5)
H1xiv—N1—H4xix90.569 (7)H4xviii—H1—H4xlii160.522 (2)
H1xiv—N1—H4xx138.131 (4)H4xviii—H1—H521.174 (3)
H1xiv—N1—H590H4xviii—H1—H5xl144.660 (3)
H1xiv—N1—H5xviii90H4xviii—H1—H5xviii35.340 (3)
H1xv—N1—H1xvi120.000 (7)H4xviii—H1—H5xli158.826 (3)
H1xv—N1—H1xvii60.000 (7)H4xli—H1—H4xix160.7161 (17)
H1xv—N1—H441.009 (4)H4xli—H1—H4xlii23.227 (5)
H1xv—N1—H4xv90.569 (7)H4xli—H1—H5144.732 (3)
H1xv—N1—H4xvi138.131 (4)H4xli—H1—H5xl21.159 (3)
H1xv—N1—H4xviii138.991 (4)H4xli—H1—H5xviii158.841 (3)
H1xv—N1—H4xix89.431 (7)H4xli—H1—H5xli35.268 (3)
H1xv—N1—H4xx41.869 (4)H4xix—H1—H4xlii151.883 (4)
H1xv—N1—H590H4xix—H1—H516.410 (3)
H1xv—N1—H5xviii90H4xix—H1—H5xl143.945 (3)
H1xvi—N1—H1xvii180.0 (5)H4xix—H1—H5xviii36.055 (3)
H1xvi—N1—H4138.131 (5)H4xix—H1—H5xli163.590 (3)
H1xvi—N1—H4xv41.009 (5)H4xlii—H1—H5143.979 (3)
H1xvi—N1—H4xvi90.569 (6)H4xlii—H1—H5xl16.199 (3)
H1xvi—N1—H4xviii41.869 (5)H4xlii—H1—H5xviii163.801 (3)
H1xvi—N1—H4xix138.991 (5)H4xlii—H1—H5xli36.021 (3)
H1xvi—N1—H4xx89.431 (6)H5—H1—H5xl131.429 (3)
H1xvi—N1—H590H5—H1—H5xviii48.571 (3)
H1xvi—N1—H5xviii90H5—H1—H5xli180.0 (5)
H1xvii—N1—H441.869 (5)H5xl—H1—H5xviii180.0 (5)
H1xvii—N1—H4xv138.991 (5)H5xl—H1—H5xli48.571 (3)
H1xvii—N1—H4xvi89.431 (6)H5xviii—H1—H5xli131.429 (3)
H1xvii—N1—H4xviii138.131 (5)K2—H2—N20.19 (12)
H1xvii—N1—H4xix41.009 (5)K2—H2—S1xxxi163.55 (12)
H1xvii—N1—H4xx90.569 (6)K2—H2—O182.39 (12)
H1xvii—N1—H590K2—H2—O2iii146.72 (6)
H1xvii—N1—H5xviii90K2—H2—O2xxi70.67 (5)
H4—N1—H4xv97.127 (7)K2—H2—O2xxii71.56 (4)
H4—N1—H4xvi97.127 (5)K2—H2—O2xxiv145.45 (6)
H4—N1—H4xviii180.0 (5)K2—H2—O2xi105.48 (13)
H4—N1—H4xix82.873 (7)K2—H2—H1xxviii114.77 (12)
H4—N1—H4xx82.873 (5)K2—H2—H2xv31.10 (3)
H4—N1—H5120.041 (3)K2—H2—H2xvi31.10 (3)
H4—N1—H5xviii59.959 (3)K2—H2—H2xliii107.90 (8)
H4xv—N1—H4xvi97.127 (5)K2—H2—H2xliv108.93 (8)
H4xv—N1—H4xviii82.873 (7)K2—H2—H345.91 (12)
H4xv—N1—H4xix180.0 (5)K2—H2—H3v103.07 (3)
H4xv—N1—H4xx82.873 (5)K2—H2—H3vi104.14 (3)
H4xv—N1—H5120.041 (3)K2—H2—H5xlv108.34 (5)
H4xv—N1—H5xviii59.959 (3)N2—H2—S1xxxi163.743 (9)
H4xvi—N1—H4xviii82.873 (5)N2—H2—O182.580 (14)
H4xvi—N1—H4xix82.873 (5)N2—H2—O2iii146.79 (5)
H4xvi—N1—H4xx180.0 (5)N2—H2—O2xxi70.73 (4)
H4xvi—N1—H5120.0414 (16)N2—H2—O2xxii71.62 (3)
H4xvi—N1—H5xviii59.9586 (16)N2—H2—O2xxiv145.51 (4)
H4xviii—N1—H4xix97.127 (7)N2—H2—O2xi105.29 (4)
H4xviii—N1—H4xx97.127 (5)N2—H2—H1xxviii114.9673 (8)
H4xviii—N1—H559.959 (3)N2—H2—H2xv31.144 (6)
H4xviii—N1—H5xviii120.041 (3)N2—H2—H2xvi31.144 (5)
H4xix—N1—H4xx97.127 (5)N2—H2—H2xliii107.771 (5)
H4xix—N1—H559.959 (3)N2—H2—H2xliv108.799 (6)
H4xix—N1—H5xviii120.041 (3)N2—H2—H345.713 (2)
H4xx—N1—H559.9586 (16)N2—H2—H3v103.027 (7)
H4xx—N1—H5xviii120.0414 (16)N2—H2—H3vi104.095 (7)
H5—N1—H5xviii180.0 (5)N2—H2—H5xlv108.419 (7)
N2—K2—O1180.0 (5)S1xxxi—H2—O181.176 (17)
N2—K2—O2i106.28 (4)S1xxxi—H2—O2iii31.67 (4)
N2—K2—O2iii106.27 (4)S1xxxi—H2—O2xxi103.24 (4)
N2—K2—O2xxi106.27 (4)S1xxxi—H2—O2xxii103.61 (3)
N2—K2—O2xxii106.28 (4)S1xxxi—H2—O2xxiv31.67 (5)
N2—K2—O2xxiii106.27 (4)S1xxxi—H2—O2xi90.95 (4)
N2—K2—O2xxiv106.28 (4)S1xxxi—H2—H1xxviii48.787 (9)
N2—K2—O2x39.83 (4)S1xxxi—H2—H2xv141.180 (7)
N2—K2—O2xi39.83 (4)S1xxxi—H2—H2xvi142.203 (7)
N2—K2—O2xii39.83 (4)S1xxxi—H2—H2xliii82.912 (8)
N2—K2—H298.59 (12)S1xxxi—H2—H2xliv82.912 (10)
N2—K2—H2xv98.59 (12)S1xxxi—H2—H3150.525 (9)
N2—K2—H2xvi98.59 (12)S1xxxi—H2—H3v80.529 (7)
N2—K2—H30.0 (5)S1xxxi—H2—H3vi80.795 (8)
N2—K2—H5xviii0.0 (5)S1xxxi—H2—H5xlv66.002 (7)
O1—K2—O2i73.72 (4)O1—H2—O2iii85.30 (4)
O1—K2—O2iii73.73 (4)O1—H2—O2xxi71.43 (3)
O1—K2—O2xxi73.73 (4)O1—H2—O2xxii71.61 (3)
O1—K2—O2xxii73.72 (4)O1—H2—O2xxiv85.15 (4)
O1—K2—O2xxiii73.73 (4)O1—H2—O2xi172.13 (4)
O1—K2—O2xxiv73.72 (4)O1—H2—H1xxviii32.389 (14)
O1—K2—O2x140.17 (4)O1—H2—H2xv76.015 (12)
O1—K2—O2xi140.17 (4)O1—H2—H2xvi76.015 (12)
O1—K2—O2xii140.17 (4)O1—H2—H2xliii131.956 (5)
O1—K2—H281.41 (12)O1—H2—H2xliv132.327 (5)
O1—K2—H2xv81.41 (12)O1—H2—H3128.293 (15)
O1—K2—H2xvi81.41 (12)O1—H2—H3v104.484 (3)
O1—K2—H3180.0 (5)O1—H2—H3vi104.840 (4)
O1—K2—H5xviii180.0 (5)O1—H2—H5xlv68.938 (7)
O2i—K2—O2iii145.44 (7)O2iii—H2—O2xxi133.29 (5)
O2i—K2—O2xxi46.17 (5)O2iii—H2—O2xxii75.23 (5)
O2i—K2—O2xxii112.47 (5)O2iii—H2—O2xxiv63.04 (6)
O2i—K2—O2xxiii68.50 (5)O2iii—H2—O2xi88.13 (4)
O2i—K2—O2xxiv112.47 (5)O2iii—H2—H1xxviii58.39 (3)
O2i—K2—O2x106.14 (4)O2iii—H2—H2xv161.32 (3)
O2i—K2—O2xi135.52 (6)O2iii—H2—H2xvi115.73 (5)
O2i—K2—O2xii69.77 (4)O2iii—H2—H2xliii103.33 (4)
O2i—K2—H2137.06 (9)O2iii—H2—H2xliv59.55 (4)
O2i—K2—H2xv25.22 (5)O2iii—H2—H3136.17 (4)
O2i—K2—H2xvi92.70 (5)O2iii—H2—H3v109.92 (5)
O2i—K2—H3106.28 (4)O2iii—H2—H3vi49.89 (4)
O2i—K2—H5xviii106.28 (4)O2iii—H2—H5xlv38.53 (4)
O2iii—K2—O2xxi112.48 (5)O2xxi—H2—O2xxii129.62 (4)
O2iii—K2—O2xxii68.50 (5)O2xxi—H2—O2xxiv74.82 (6)
O2iii—K2—O2xxiii112.48 (5)O2xxi—H2—O2xi110.47 (4)
O2iii—K2—O2xxiv46.17 (5)O2xxi—H2—H1xxviii83.25 (3)
O2iii—K2—O2x106.17 (4)O2xxi—H2—H2xv39.62 (4)
O2iii—K2—O2xi69.74 (4)O2xxi—H2—H2xvi97.57 (4)
O2iii—K2—O2xii135.48 (6)O2xxi—H2—H2xliii68.69 (3)
O2iii—K2—H224.25 (5)O2xxi—H2—H2xliv156.23 (3)
O2iii—K2—H2xv136.22 (9)O2xxi—H2—H388.21 (3)
O2iii—K2—H2xvi93.68 (5)O2xxi—H2—H3v44.01 (4)
O2iii—K2—H3106.27 (4)O2xxi—H2—H3vi173.77 (4)
O2iii—K2—H5xviii106.27 (4)O2xxi—H2—H5xlv140.05 (3)
O2xxi—K2—O2xxii145.44 (7)O2xxii—H2—O2xxiv133.62 (5)
O2xxi—K2—O2xxiii112.48 (6)O2xxii—H2—O2xi110.85 (5)
O2xxi—K2—O2xxiv68.50 (5)O2xxii—H2—H1xxviii83.49 (3)
O2xxi—K2—O2x135.48 (5)O2xxii—H2—H2xv98.47 (3)
O2xxi—K2—O2xi106.17 (5)O2xxii—H2—H2xvi40.50 (3)
O2xxi—K2—O2xii69.74 (5)O2xxii—H2—H2xliii156.43 (2)
O2xxi—K2—H293.68 (5)O2xxii—H2—H2xliv69.06 (2)
O2xxi—K2—H2xv24.25 (5)O2xxii—H2—H388.74 (3)
O2xxi—K2—H2xvi136.22 (9)O2xxii—H2—H3v173.54 (2)
O2xxi—K2—H3106.27 (4)O2xxii—H2—H3vi44.24 (2)
O2xxi—K2—H5xviii106.27 (4)O2xxii—H2—H5xlv37.67 (3)
O2xxii—K2—O2xxiii46.17 (5)O2xxiv—H2—O2xi88.01 (6)
O2xxii—K2—O2xxiv112.47 (6)O2xxiv—H2—H1xxviii58.31 (4)
O2xxii—K2—O2x69.77 (4)O2xxiv—H2—H2xv114.44 (4)
O2xxii—K2—O2xi106.14 (5)O2xxiv—H2—H2xvi161.12 (3)
O2xxii—K2—O2xii135.52 (6)O2xxiv—H2—H2xliii59.50 (4)
O2xxii—K2—H292.70 (5)O2xxiv—H2—H2xliv103.29 (4)
O2xxii—K2—H2xv137.06 (9)O2xxiv—H2—H3135.51 (4)
O2xxii—K2—H2xvi25.22 (5)O2xxiv—H2—H3v49.62 (5)
O2xxii—K2—H3106.28 (4)O2xxiv—H2—H3vi110.19 (4)
O2xxii—K2—H5xviii106.28 (4)O2xxiv—H2—H5xlv96.84 (5)
O2xxiii—K2—O2xxiv145.44 (7)O2xi—H2—H1xxviii139.74 (4)
O2xxiii—K2—O2x69.74 (4)O2xi—H2—H2xv110.50 (3)
O2xxiii—K2—O2xi135.48 (7)O2xi—H2—H2xvi110.87 (5)
O2xxiii—K2—O2xii106.17 (5)O2xi—H2—H2xliii45.83 (4)
O2xxiii—K2—H2136.22 (9)O2xi—H2—H2xliv45.96 (3)
O2xxiii—K2—H2xv93.68 (5)O2xi—H2—H359.57 (4)
O2xxiii—K2—H2xvi24.25 (5)O2xi—H2—H3v73.73 (4)
O2xxiii—K2—H3106.27 (4)O2xi—H2—H3vi73.92 (4)
O2xxiii—K2—H5xviii106.27 (4)O2xi—H2—H5xlv108.13 (3)
O2xxiv—K2—O2x135.52 (6)H1xxviii—H2—H2xv103.814 (2)
O2xxiv—K2—O2xi69.77 (5)H1xxviii—H2—H2xvi104.1209 (19)
O2xxiv—K2—O2xii106.14 (5)H1xxviii—H2—H2xliii116.272 (3)
O2xxiv—K2—H225.22 (5)H1xxviii—H2—H2xliv116.434 (5)
O2xxiv—K2—H2xv92.70 (5)H1xxviii—H2—H3160.6783 (14)
O2xxiv—K2—H2xvi137.06 (9)H1xxviii—H2—H3v95.852 (2)
O2xxiv—K2—H3106.28 (4)H1xxviii—H2—H3vi96.172 (3)
O2xxiv—K2—H5xviii106.28 (4)H1xxviii—H2—H5xlv60.347 (2)
O2x—K2—O2xi67.38 (6)H2xv—H2—H2xvi60.000 (7)
O2x—K2—O2xii67.38 (6)H2xv—H2—H2xliii89.430 (6)
O2x—K2—H2115.26 (10)H2xv—H2—H2xliv135.248 (4)
O2x—K2—H2xv115.85 (10)H2xv—H2—H359.805 (4)
O2x—K2—H2xvi58.76 (10)H2xv—H2—H3v75.414 (7)
O2x—K2—H339.83 (4)H2xv—H2—H3vi135.228 (6)
O2x—K2—H5xviii39.83 (4)H2xv—H2—H5xlv130.270 (5)
O2xi—K2—O2xii67.38 (5)H2xvi—H2—H2xliii134.443 (4)
O2xi—K2—H258.76 (10)H2xvi—H2—H2xliv90.570 (7)
O2xi—K2—H2xv115.26 (11)H2xvi—H2—H359.805 (4)
O2xi—K2—H2xvi115.85 (11)H2xvi—H2—H3v134.155 (6)
O2xi—K2—H339.83 (4)H2xvi—H2—H3vi76.518 (8)
O2xi—K2—H5xviii39.83 (4)H2xvi—H2—H5xlv77.744 (7)
O2xii—K2—H2115.85 (11)H2xliii—H2—H2xliv89.696 (5)
O2xii—K2—H2xv58.76 (10)H2xliii—H2—H376.051 (5)
O2xii—K2—H2xvi115.26 (11)H2xliii—H2—H3v27.905 (2)
O2xii—K2—H339.83 (4)H2xliii—H2—H3vi116.849 (4)
O2xii—K2—H5xviii39.83 (4)H2xliii—H2—H5xlv140.299 (5)
H2—K2—H2xv117.81 (6)H2xliv—H2—H376.641 (6)
H2—K2—H2xvi117.81 (6)H2xliv—H2—H3v116.710 (5)
H2—K2—H398.59 (12)H2xliv—H2—H3vi27.975 (3)
H2—K2—H5xviii98.59 (12)H2xliv—H2—H5xlv63.516 (5)
H2xv—K2—H2xvi117.81 (6)H3—H2—H3v89.877 (4)
H2xv—K2—H398.59 (12)H3—H2—H3vi90.450 (5)
H2xv—K2—H5xviii98.59 (12)H3—H2—H5xlv120.632 (4)
H2xvi—K2—H398.59 (12)H3v—H2—H3vi142.096 (5)
H2xvi—K2—H5xviii98.59 (12)H3v—H2—H5xlv146.419 (5)
H3—K2—H5xviii0.0 (5)H3vi—H2—H5xlv37.318 (3)
K2—N2—O10.0 (5)K2—H3—N20.0 (5)
K2—N2—O2i73.67 (3)K2—H3—O2x123.22 (4)
K2—N2—O2iii73.68 (3)K2—H3—O2xi123.22 (4)
K2—N2—O2xxi73.68 (3)K2—H3—O2xii123.22 (4)
K2—N2—O2xxii73.67 (3)K2—H3—H235.503 (3)
K2—N2—O2xxiii73.68 (3)K2—H3—H2xv35.503 (3)
K2—N2—O2xxiv73.67 (3)K2—H3—H2xvi35.5029 (18)
K2—N2—O2x140.13 (3)K2—H3—H2v100.7093 (7)
K2—N2—O2xi140.13 (3)K2—H3—H2vi100.7616 (9)
K2—N2—O2xii140.13 (3)K2—H3—H2xlvi100.7093 (11)
K2—N2—H281.2158 (10)K2—H3—H2xliii100.7616 (8)
K2—N2—H2xv81.2158 (9)K2—H3—H2xlvii100.7616 (13)
K2—N2—H2xvi81.2158 (6)K2—H3—H2xliv100.7093 (12)
K2—N2—H3180.0 (5)K2—H3—H4165.9343 (16)
K2—N2—H5xviii180.0 (5)K2—H3—H4xv165.9343 (14)
O1—N2—H281.2158 (10)K2—H3—H4xvi165.9343 (9)
O1—N2—H2xv81.2158 (9)K2—H3—H5xviii180.0 (5)
O1—N2—H2xvi81.2158 (6)N2—H3—O2x123.22 (4)
O1—N2—H3180.0 (5)N2—H3—O2xi123.22 (4)
O1—N2—H5xviii180.0 (5)N2—H3—O2xii123.22 (4)
O2i—N2—H2136.92 (3)N2—H3—H235.503 (3)
O2i—N2—H2xv25.17 (3)N2—H3—H2xv35.503 (3)
O2i—N2—H2xvi92.63 (3)N2—H3—H2xvi35.5029 (18)
O2i—N2—H3106.33 (3)N2—H3—H2v100.7093 (7)
O2i—N2—H5xviii106.33 (3)N2—H3—H2vi100.7616 (9)
O2iii—N2—H224.20 (3)N2—H3—H2xlvi100.7093 (11)
O2iii—N2—H2xv136.09 (3)N2—H3—H2xliii100.7616 (8)
O2iii—N2—H2xvi93.61 (3)N2—H3—H2xlvii100.7616 (13)
O2iii—N2—H3106.32 (3)N2—H3—H2xliv100.7093 (12)
O2iii—N2—H5xviii106.32 (3)N2—H3—H4165.9343 (16)
O2xxi—N2—O2xxiii112.43 (5)N2—H3—H4xv165.9343 (14)
O2xxi—N2—O2xxiv68.48 (5)N2—H3—H4xvi165.9343 (9)
O2xxi—N2—O2xi106.21 (5)N2—H3—H5xviii180.0 (5)
O2xxi—N2—O2xii69.76 (5)O2x—H3—O2xi92.86 (6)
O2xxi—N2—H293.61 (4)O2x—H3—O2xii92.86 (6)
O2xxi—N2—H2xv24.20 (3)O2x—H3—H2133.26 (3)
O2xxi—N2—H2xvi136.09 (4)O2x—H3—H2xv133.83 (3)
O2xxi—N2—H3106.32 (3)O2x—H3—H2xvi87.72 (4)
O2xxi—N2—H5xviii106.32 (3)O2x—H3—H2v133.99 (4)
O2xxii—N2—O2xxiii46.15 (4)O2x—H3—H2vi47.51 (3)
O2xxii—N2—O2xxiv112.42 (5)O2x—H3—H2xlvi47.42 (3)
O2xxii—N2—O2x69.79 (4)O2x—H3—H2xliii133.98 (4)
O2xxii—N2—O2xi106.18 (4)O2x—H3—H2xlvii70.98 (3)
O2xxii—N2—H292.63 (3)O2x—H3—H2xliv71.13 (3)
O2xxii—N2—H2xv136.92 (3)O2x—H3—H464.68 (4)
O2xxii—N2—H2xvi25.17 (3)O2x—H3—H4xv64.41 (4)
O2xxii—N2—H3106.33 (3)O2x—H3—H4xvi42.72 (4)
O2xxii—N2—H5xviii106.33 (3)O2x—H3—H5xviii56.78 (4)
O2xxiii—N2—O2x69.76 (4)O2xi—H3—O2xii92.86 (5)
O2xxiii—N2—O2xii106.21 (4)O2xi—H3—H287.72 (4)
O2xxiii—N2—H2136.09 (3)O2xi—H3—H2xv133.26 (5)
O2xxiii—N2—H2xv93.61 (3)O2xi—H3—H2xvi133.83 (3)
O2xxiii—N2—H2xvi24.20 (3)O2xi—H3—H2v71.13 (5)
O2xxiii—N2—H3106.32 (3)O2xi—H3—H2vi70.98 (5)
O2xxiii—N2—H5xviii106.32 (3)O2xi—H3—H2xlvi133.99 (4)
O2xxiv—N2—O2xi69.79 (5)O2xi—H3—H2xliii47.51 (5)
O2xxiv—N2—O2xii106.18 (5)O2xi—H3—H2xlvii133.98 (3)
O2xxiv—N2—H225.17 (3)O2xi—H3—H2xliv47.42 (4)
O2xxiv—N2—H2xv92.63 (4)O2xi—H3—H442.72 (4)
O2xxiv—N2—H2xvi136.92 (4)O2xi—H3—H4xv64.68 (3)
O2xxiv—N2—H3106.33 (3)O2xi—H3—H4xvi64.41 (4)
O2xxiv—N2—H5xviii106.33 (3)O2xi—H3—H5xviii56.78 (4)
O2x—N2—H2115.42 (2)O2xii—H3—H2133.83 (5)
O2x—N2—H2xv116.01 (2)O2xii—H3—H2xv87.72 (4)
O2x—N2—H2xvi58.92 (3)O2xii—H3—H2xvi133.26 (3)
O2x—N2—H339.87 (3)O2xii—H3—H2v47.42 (5)
O2x—N2—H5xviii39.87 (3)O2xii—H3—H2vi133.98 (4)
O2xi—N2—H258.92 (3)O2xii—H3—H2xlvi71.13 (4)
O2xi—N2—H2xv115.42 (3)O2xii—H3—H2xliii70.98 (4)
O2xi—N2—H2xvi116.01 (4)O2xii—H3—H2xlvii47.51 (4)
O2xi—N2—H339.87 (3)O2xii—H3—H2xliv133.99 (3)
O2xi—N2—H5xviii39.87 (3)O2xii—H3—H464.41 (3)
O2xii—N2—H2116.01 (3)O2xii—H3—H4xv42.72 (4)
O2xii—N2—H2xv58.92 (3)O2xii—H3—H4xvi64.68 (4)
O2xii—N2—H2xvi115.42 (4)O2xii—H3—H5xviii56.78 (4)
O2xii—N2—H339.87 (3)H2—H3—H2xv60.389 (6)
O2xii—N2—H5xviii39.87 (3)H2—H3—H2xvi60.389 (4)
H2—N2—H2xv117.711 (7)H2—H3—H2v90.123 (4)
H2—N2—H2xvi117.711 (6)H2—H3—H2vi89.550 (5)
H2—N2—H398.7842 (10)H2—H3—H2xlvi134.656 (2)
H2—N2—H5xviii98.7842 (10)H2—H3—H2xliii75.974 (4)
H2xv—N2—H2xvi117.711 (7)H2—H3—H2xlvii134.930 (2)
H2xv—N2—H398.7842 (9)H2—H3—H2xliv75.454 (5)
H2xv—N2—H5xviii98.7842 (9)H2—H3—H4130.434 (5)
H2xvi—N2—H398.7842 (6)H2—H3—H4xv149.626 (2)
H2xvi—N2—H5xviii98.7842 (6)H2—H3—H4xvi149.062 (3)
H3—N2—H5xviii0.0 (5)H2—H3—H5xviii144.497 (3)
O1—S1—O2xxv107.80 (6)H2xv—H3—H2xvi60.389 (4)
O1—S1—O2xxvi107.80 (6)H2xv—H3—H2v75.454 (4)
O1—S1—O2xxvii107.80 (6)H2xv—H3—H2vi134.930 (2)
O1—S1—H1xxviii45.456 (9)H2xv—H3—H2xlvi90.123 (5)
O1—S1—H1xxix45.456 (9)H2xv—H3—H2xliii89.550 (4)
O1—S1—H1xxx45.456 (9)H2xv—H3—H2xlvii75.974 (5)
O1—S1—H2xxxi115.027 (10)H2xv—H3—H2xliv134.6559 (19)
O1—S1—H2xxxii115.027 (9)H2xv—H3—H4149.062 (2)
O1—S1—H2xxxiii115.027 (9)H2xv—H3—H4xv130.434 (4)
O1—S1—H4xxxiv64.937 (9)H2xv—H3—H4xvi149.626 (3)
O1—S1—H4xxxv64.937 (9)H2xv—H3—H5xviii144.497 (3)
O1—S1—H4xxxvi64.937 (9)H2xvi—H3—H2v134.6559 (15)
O2xxv—S1—O2xxvi111.09 (9)H2xvi—H3—H2vi75.974 (3)
O2xxv—S1—O2xxvii111.09 (9)H2xvi—H3—H2xlvi75.454 (3)
O2xxv—S1—H1xxviii82.85 (5)H2xvi—H3—H2xliii134.9298 (14)
O2xxv—S1—H1xxix82.80 (5)H2xvi—H3—H2xlvii89.550 (4)
O2xxv—S1—H1xxx153.25 (6)H2xvi—H3—H2xliv90.123 (4)
O2xxv—S1—H2xxxi55.78 (4)H2xvi—H3—H4149.626 (2)
O2xxv—S1—H2xxxii56.02 (4)H2xvi—H3—H4xv149.062 (2)
O2xxv—S1—H2xxxiii137.18 (6)H2xvi—H3—H4xvi130.434 (3)
O2xxv—S1—H4xxxiv123.89 (4)H2xvi—H3—H5xviii144.4971 (18)
O2xxv—S1—H4xxxv124.32 (4)H2v—H3—H2vi142.096 (5)
O2xxv—S1—H4xxxvi42.86 (6)H2v—H3—H2xlvi116.628 (6)
O2xxvi—S1—O2xxvii111.09 (9)H2v—H3—H2xliii28.068 (5)
O2xxvi—S1—H1xxviii153.25 (6)H2v—H3—H2xlvii89.384 (7)
O2xxvi—S1—H1xxix82.85 (6)H2v—H3—H2xliv116.628 (6)
O2xxvi—S1—H1xxx82.80 (7)H2v—H3—H475.6768 (18)
O2xxvi—S1—H2xxxi137.18 (6)H2v—H3—H4xv69.8089 (13)
O2xxvi—S1—H2xxxii55.78 (8)H2v—H3—H4xvi92.9681 (16)
O2xxvi—S1—H2xxxiii56.02 (7)H2v—H3—H5xviii79.2907 (7)
O2xxvi—S1—H4xxxiv42.86 (6)H2vi—H3—H2xlvi89.384 (8)
O2xxvi—S1—H4xxxv123.89 (8)H2vi—H3—H2xliii116.596 (7)
O2xxvi—S1—H4xxxvi124.32 (7)H2vi—H3—H2xlvii116.596 (7)
O2xxvii—S1—H1xxviii82.80 (6)H2vi—H3—H2xliv28.068 (5)
O2xxvii—S1—H1xxix153.25 (6)H2vi—H3—H475.9189 (17)
O2xxvii—S1—H1xxx82.85 (7)H2vi—H3—H4xv92.843 (2)
O2xxvii—S1—H2xxxi56.02 (7)H2vi—H3—H4xvi69.5324 (14)
O2xxvii—S1—H2xxxii137.18 (6)H2vi—H3—H5xviii79.2384 (9)
O2xxvii—S1—H2xxxiii55.78 (7)H2xlvi—H3—H2xliii142.096 (5)
O2xxvii—S1—H4xxxiv124.32 (7)H2xlvi—H3—H2xlvii28.068 (5)
O2xxvii—S1—H4xxxv42.86 (6)H2xlvi—H3—H2xliv116.628 (7)
O2xxvii—S1—H4xxxvi123.89 (7)H2xlvi—H3—H492.968 (3)
H1xxviii—S1—H1xxix76.227 (15)H2xlvi—H3—H4xv75.6768 (17)
H1xxviii—S1—H1xxx76.227 (14)H2xlvi—H3—H4xvi69.8089 (15)
H1xxviii—S1—H2xxxi69.572 (6)H2xlvi—H3—H5xviii79.2907 (11)
H1xxviii—S1—H2xxxii128.418 (7)H2xliii—H3—H2xlvii116.596 (7)
H1xxviii—S1—H2xxxiii128.162 (8)H2xliii—H3—H2xliv89.384 (7)
H1xxviii—S1—H4xxxiv110.393 (18)H2xliii—H3—H469.5324 (13)
H1xxviii—S1—H4xxxv51.821 (7)H2xliii—H3—H4xv75.919 (2)
H1xxviii—S1—H4xxxvi51.555 (7)H2xliii—H3—H4xvi92.8430 (16)
H1xxix—S1—H1xxx76.227 (14)H2xliii—H3—H5xviii79.2384 (8)
H1xxix—S1—H2xxxi128.162 (7)H2xlvii—H3—H2xliv142.096 (5)
H1xxix—S1—H2xxxii69.572 (5)H2xlvii—H3—H492.843 (3)
H1xxix—S1—H2xxxiii128.418 (8)H2xlvii—H3—H4xv69.5324 (12)
H1xxix—S1—H4xxxiv51.555 (7)H2xlvii—H3—H4xvi75.919 (2)
H1xxix—S1—H4xxxv110.393 (18)H2xlvii—H3—H5xviii79.2384 (13)
H1xxix—S1—H4xxxvi51.821 (7)H2xliv—H3—H469.8089 (14)
H1xxx—S1—H2xxxi128.418 (8)H2xliv—H3—H4xv92.968 (3)
H1xxx—S1—H2xxxii128.162 (8)H2xliv—H3—H4xvi75.677 (2)
H1xxx—S1—H2xxxiii69.572 (3)H2xliv—H3—H5xviii79.2907 (12)
H1xxx—S1—H4xxxiv51.821 (7)H4—H3—H4xv24.300 (3)
H1xxx—S1—H4xxxv51.555 (8)H4—H3—H4xvi24.300 (2)
H1xxx—S1—H4xxxvi110.393 (18)H4—H3—H5xviii14.0657 (16)
H2xxxi—S1—H2xxxii103.388 (13)H4xv—H3—H4xvi24.3002 (19)
H2xxxi—S1—H2xxxiii103.388 (12)H4xv—H3—H5xviii14.0657 (14)
H2xxxi—S1—H4xxxiv179.666 (5)H4xvi—H3—H5xviii14.0657 (9)
H2xxxi—S1—H4xxxv76.901 (7)K1—H4—N10.0 (5)
H2xxxi—S1—H4xxxvi76.366 (5)K1—H4—S1iii174.966 (9)
H2xxxii—S1—H2xxxiii103.388 (12)K1—H4—O1iii143.74 (6)
H2xxxii—S1—H4xxxiv76.366 (7)K1—H4—O1v100.27 (3)
H2xxxii—S1—H4xxxv179.666 (5)K1—H4—O1vi99.14 (3)
H2xxxii—S1—H4xxxvi76.901 (5)K1—H4—O2vii70.27 (3)
H2xxxiii—S1—H4xxxiv76.901 (6)K1—H4—O2ix69.63 (2)
H2xxxiii—S1—H4xxxv76.366 (5)K1—H4—O2x76.65 (3)
H2xxxiii—S1—H4xxxvi179.666 (5)K1—H4—O2xi156.63 (5)
H4xxxiv—S1—H4xxxv103.346 (13)K1—H4—O2xii77.31 (3)
H4xxxiv—S1—H4xxxvi103.346 (12)K1—H4—H1xiii74.100 (6)
H4xxxv—S1—H4xxxvi103.346 (12)K1—H4—H173.052 (6)
K1xxxiv—O1—K1xxviii119.817 (10)K1—H4—H1xv125.021 (5)
K1xxxiv—O1—K1xlv119.817 (10)K1—H4—H1xvii123.982 (6)
K1xxxiv—O1—N1xxxiv0.0 (5)K1—H4—H3105.976 (5)
K1xxxiv—O1—N1xxviii119.817 (10)K1—H4—H4xv41.437 (5)
K1xxxiv—O1—N1xlv119.817 (10)K1—H4—H4xvi41.437 (5)
K1xxxiv—O1—K287.54 (5)K1—H4—H4xviii0.0 (5)
K1xxxiv—O1—N287.54 (5)K1—H4—H4xix48.563 (5)
K1xxxiv—O1—S192.46 (5)K1—H4—H4xx48.563 (4)
K1xxxiv—O1—O1xxxvii59.908 (8)K1—H4—H536.8766 (5)
K1xxxiv—O1—O1x59.908 (7)K1—H4—H5xviii79.997 (6)
K1xxxiv—O1—O1xxxi172.62 (10)N1—H4—S1iii174.966 (9)
K1xxxiv—O1—O2xxv108.85 (6)N1—H4—O1iii143.74 (6)
K1xxxiv—O1—O2xxvi57.21 (4)N1—H4—O1v100.27 (3)
K1xxxiv—O1—O2xxvii108.90 (6)N1—H4—O1vi99.14 (3)
K1xxxiv—O1—H1xxviii172.62 (14)N1—H4—O2vii70.27 (3)
K1xxxiv—O1—H1xxix59.908 (8)N1—H4—O2ix69.63 (2)
K1xxxiv—O1—H1xxx59.908 (7)N1—H4—O2x76.65 (3)
K1xxxiv—O1—H2103.74 (6)N1—H4—O2xi156.63 (5)
K1xxxiv—O1—H2xv79.72 (4)N1—H4—O2xii77.31 (3)
K1xxxiv—O1—H2xvi79.46 (4)N1—H4—H1xiii74.100 (6)
K1xxxiv—O1—H4xxxiv8.676 (12)N1—H4—H173.052 (6)
K1xxxiv—O1—H4xxxv119.898 (9)N1—H4—H1xv125.021 (5)
K1xxxiv—O1—H4xxxvi120.269 (9)N1—H4—H1xvii123.982 (6)
K1xxxiv—O1—H4v107.094 (16)N1—H4—H3105.976 (5)
K1xxxiv—O1—H4vi107.004 (16)N1—H4—H4xv41.437 (5)
K1xxxiv—O1—H4xlvi14.535 (4)N1—H4—H4xvi41.437 (5)
K1xxxiv—O1—H4xliii130.66 (2)N1—H4—H4xviii0.0 (5)
K1xxxiv—O1—H4xlvii14.585 (4)N1—H4—H4xix48.563 (5)
K1xxxiv—O1—H4xliv130.56 (2)N1—H4—H4xx48.563 (4)
K1xxviii—O1—K1xlv119.817 (10)N1—H4—H536.8766 (5)
K1xxviii—O1—N1xxxiv119.817 (10)N1—H4—H5xviii79.997 (6)
K1xxviii—O1—N1xxviii0.0 (5)S1iii—H4—O1iii31.27 (6)
K1xxviii—O1—N1xlv119.817 (10)S1iii—H4—O1v78.90 (2)
K1xxviii—O1—K287.54 (5)S1iii—H4—O1vi78.63 (2)
K1xxviii—O1—N287.54 (5)S1iii—H4—O2vii106.13 (3)
K1xxviii—O1—S192.46 (5)S1iii—H4—O2ix105.92 (2)
K1xxviii—O1—O1xxxvii59.908 (8)S1iii—H4—O2x106.88 (3)
K1xxviii—O1—O1x172.62 (10)S1iii—H4—O2xi28.34 (5)
K1xxviii—O1—O1xxxi59.908 (7)S1iii—H4—O2xii107.11 (3)
K1xxviii—O1—O2xxv57.21 (4)S1iii—H4—H1xiii106.574 (7)
K1xxviii—O1—O2xxvi108.90 (7)S1iii—H4—H1106.146 (7)
K1xxviii—O1—O2xxvii108.85 (7)S1iii—H4—H1xv52.357 (8)
K1xxviii—O1—H1xxviii59.908 (7)S1iii—H4—H1xvii52.292 (8)
K1xxviii—O1—H1xxix59.908 (8)S1iii—H4—H379.001 (10)
K1xxviii—O1—H1xxx172.62 (14)S1iii—H4—H4xv142.286 (7)
K1xxviii—O1—H279.72 (4)S1iii—H4—H4xvi141.053 (7)
K1xxviii—O1—H2xv79.46 (4)S1iii—H4—H4xviii174.965 (9)
K1xxviii—O1—H2xvi103.74 (6)S1iii—H4—H4xix127.523 (8)
K1xxviii—O1—H4xxxiv119.898 (9)S1iii—H4—H4xx128.624 (7)
K1xxviii—O1—H4xxxv120.269 (9)S1iii—H4—H5138.142 (9)
K1xxviii—O1—H4xxxvi8.676 (12)S1iii—H4—H5xviii104.978 (11)
K1xxviii—O1—H4v14.535 (4)O1iii—H4—O1v71.495 (12)
K1xxviii—O1—H4vi130.66 (2)O1iii—H4—O1vi71.228 (12)
K1xxviii—O1—H4xlvi130.56 (2)O1iii—H4—O2vii80.31 (5)
K1xxviii—O1—H4xliii14.585 (4)O1iii—H4—O2ix80.16 (5)
K1xxviii—O1—H4xlvii107.004 (16)O1iii—H4—O2x129.91 (4)
K1xxviii—O1—H4xliv107.094 (16)O1iii—H4—O2xi59.61 (7)
K1xlv—O1—N1xxxiv119.817 (10)O1iii—H4—O2xii130.31 (5)
K1xlv—O1—N1xxviii119.817 (10)O1iii—H4—H1xiii103.398 (13)
K1xlv—O1—N1xlv0.0 (5)O1iii—H4—H1102.961 (12)
K1xlv—O1—K287.54 (5)O1iii—H4—H1xv39.121 (11)
K1xlv—O1—N287.54 (5)O1iii—H4—H1xvii39.075 (11)
K1xlv—O1—S192.46 (5)O1iii—H4—H3110.27 (6)
K1xlv—O1—O1xxxvii172.62 (10)O1iii—H4—H4xv150.247 (12)
K1xlv—O1—O1x59.908 (8)O1iii—H4—H4xvi148.597 (12)
K1xlv—O1—O1xxxi59.908 (8)O1iii—H4—H4xviii143.74 (6)
K1xlv—O1—O2xxv108.90 (6)O1iii—H4—H4xix103.59 (5)
K1xlv—O1—O2xxvi108.85 (6)O1iii—H4—H4xx104.57 (5)
K1xlv—O1—O2xxvii57.21 (4)O1iii—H4—H5106.87 (6)
K1xlv—O1—H1xxviii59.908 (8)O1iii—H4—H5xviii136.25 (6)
K1xlv—O1—H1xxix172.62 (14)O1v—H4—O1vi138.61 (3)
K1xlv—O1—H1xxx59.908 (8)O1v—H4—O2vii45.65 (6)
K1xlv—O1—H279.46 (4)O1v—H4—O2ix110.42 (6)
K1xlv—O1—H2xv103.74 (6)O1v—H4—O2x145.68 (4)
K1xlv—O1—H2xvi79.72 (4)O1v—H4—O2xi88.44 (7)
K1xlv—O1—H4xxxiv120.269 (9)O1v—H4—O2xii74.97 (5)
K1xlv—O1—H4xxxv8.676 (12)O1v—H4—H1xiii31.912 (6)
K1xlv—O1—H4xxxvi119.898 (9)O1v—H4—H1160.88 (5)
K1xlv—O1—H4v130.56 (2)O1v—H4—H1xv32.375 (6)
K1xlv—O1—H4vi14.585 (4)O1v—H4—H1xvii108.727 (14)
K1xlv—O1—H4xlvi107.094 (16)O1v—H4—H3104.80 (5)
K1xlv—O1—H4xliii107.004 (16)O1v—H4—H4xv78.765 (7)
K1xlv—O1—H4xlvii130.66 (2)O1v—H4—H4xvi137.457 (12)
K1xlv—O1—H4xliv14.535 (4)O1v—H4—H4xviii100.27 (3)
N1xxxiv—O1—N1xxviii119.817 (10)O1v—H4—H4xix119.34 (5)
N1xxxiv—O1—N1xlv119.817 (10)O1v—H4—H4xx55.58 (4)
N1xxxiv—O1—K287.54 (5)O1v—H4—H587.28 (5)
N1xxxiv—O1—N287.54 (5)O1v—H4—H5xviii110.06 (4)
N1xxxiv—O1—S192.46 (5)O1vi—H4—O2vii110.22 (5)
N1xxxiv—O1—O1xxxvii59.908 (8)O1vi—H4—O2ix45.45 (6)
N1xxxiv—O1—O1x59.908 (7)O1vi—H4—O2x74.63 (4)
N1xxxiv—O1—O1xxxi172.62 (10)O1vi—H4—O2xi87.95 (6)
N1xxxiv—O1—O2xxv108.85 (6)O1vi—H4—O2xii145.34 (5)
N1xxxiv—O1—O2xxvi57.21 (4)O1vi—H4—H1xiii160.92 (5)
N1xxxiv—O1—O2xxvii108.90 (6)O1vi—H4—H131.740 (6)
N1xxxiv—O1—H1xxviii172.62 (14)O1vi—H4—H1xv108.509 (15)
N1xxxiv—O1—H1xxix59.908 (8)O1vi—H4—H1xvii32.153 (6)
N1xxxiv—O1—H1xxx59.908 (7)O1vi—H4—H3104.42 (5)
N1xxxiv—O1—H2103.74 (6)O1vi—H4—H4xv136.107 (11)
N1xxxiv—O1—H2xv79.72 (4)O1vi—H4—H4xvi77.375 (8)
N1xxxiv—O1—H2xvi79.46 (4)O1vi—H4—H4xviii99.14 (3)
N1xxxiv—O1—H4xxxiv8.676 (12)O1vi—H4—H4xix54.80 (4)
N1xxxiv—O1—H4xxxv119.898 (9)O1vi—H4—H4xx119.18 (5)
N1xxxiv—O1—H4xxxvi120.269 (9)O1vi—H4—H586.81 (5)
N1xxxiv—O1—H4v107.094 (16)O1vi—H4—H5xviii109.11 (4)
N1xxxiv—O1—H4vi107.004 (16)O2vii—H4—O2ix68.10 (5)
N1xxxiv—O1—H4xlvi14.535 (4)O2vii—H4—O2x146.92 (4)
N1xxxiv—O1—H4xliii130.66 (2)O2vii—H4—O2xi128.11 (7)
N1xxxiv—O1—H4xlvii14.585 (4)O2vii—H4—O2xii101.05 (4)
N1xxxiv—O1—H4xliv130.56 (2)O2vii—H4—H1xiii50.78 (2)
N1xxviii—O1—N1xlv119.817 (10)O2vii—H4—H1116.01 (3)
N1xxviii—O1—K287.54 (5)O2vii—H4—H1xv55.93 (3)
N1xxviii—O1—N287.54 (5)O2vii—H4—H1xvii97.78 (2)
N1xxviii—O1—S192.46 (5)O2vii—H4—H3145.34 (3)
N1xxviii—O1—O1xxxvii59.908 (8)O2vii—H4—H4xv78.32 (2)
N1xxviii—O1—O1x172.62 (10)O2vii—H4—H4xvi110.76 (3)
N1xxviii—O1—O1xxxi59.908 (7)O2vii—H4—H4xviii70.27 (3)
N1xxviii—O1—O2xxv57.21 (4)O2vii—H4—H4xix73.70 (3)
N1xxviii—O1—O2xxvi108.90 (7)O2vii—H4—H4xx24.28 (2)
N1xxviii—O1—O2xxvii108.85 (7)O2vii—H4—H543.50 (3)
N1xxviii—O1—H1xxviii59.908 (7)O2vii—H4—H5xviii133.53 (2)
N1xxviii—O1—H1xxix59.908 (8)O2ix—H4—O2x100.58 (5)
N1xxviii—O1—H1xxx172.62 (14)O2ix—H4—O2xi127.62 (4)
N1xxviii—O1—H279.72 (4)O2ix—H4—O2xii146.94 (3)
N1xxviii—O1—H2xv79.46 (4)O2ix—H4—H1xiii116.22 (3)
N1xxviii—O1—H2xvi103.74 (6)O2ix—H4—H150.52 (4)
N1xxviii—O1—H4xxxiv119.898 (9)O2ix—H4—H1xv97.80 (3)
N1xxviii—O1—H4xxxv120.269 (9)O2ix—H4—H1xvii55.73 (2)
N1xxviii—O1—H4xxxvi8.676 (12)O2ix—H4—H3144.74 (4)
N1xxviii—O1—H4v14.535 (4)O2ix—H4—H4xv110.21 (2)
N1xxviii—O1—H4vi130.66 (2)O2ix—H4—H4xvi77.44 (3)
N1xxviii—O1—H4xlvi130.56 (2)O2ix—H4—H4xviii69.63 (2)
N1xxviii—O1—H4xliii14.585 (4)O2ix—H4—H4xix23.45 (3)
N1xxviii—O1—H4xlvii107.004 (16)O2ix—H4—H4xx73.75 (3)
N1xxviii—O1—H4xliv107.094 (16)O2ix—H4—H543.25 (3)
N1xlv—O1—K287.54 (5)O2ix—H4—H5xviii132.67 (3)
N1xlv—O1—N287.54 (5)O2x—H4—O2xi83.93 (6)
N1xlv—O1—S192.46 (5)O2x—H4—O2xii71.00 (5)
N1xlv—O1—O1xxxvii172.62 (10)O2x—H4—H1xiii119.65 (2)
N1xlv—O1—O1x59.908 (8)O2x—H4—H151.52 (3)
N1xlv—O1—O1xxxi59.908 (8)O2x—H4—H1xv155.76 (3)
N1xlv—O1—O2xxv108.90 (6)O2x—H4—H1xvii100.61 (2)
N1xlv—O1—O2xxvi108.85 (6)O2x—H4—H346.33 (3)
N1xlv—O1—O2xxvii57.21 (4)O2x—H4—H4xv76.97 (2)
N1xlv—O1—H1xxviii59.908 (8)O2x—H4—H4xvi36.77 (3)
N1xlv—O1—H1xxix172.62 (14)O2x—H4—H4xviii76.65 (3)
N1xlv—O1—H1xxx59.908 (8)O2x—H4—H4xix84.63 (3)
N1xlv—O1—H279.46 (4)O2x—H4—H4xx123.95 (2)
N1xlv—O1—H2xv103.74 (6)O2x—H4—H5106.62 (3)
N1xlv—O1—H2xvi79.72 (4)O2x—H4—H5xviii35.65 (3)
N1xlv—O1—H4xxxiv120.269 (9)O2xi—H4—O2xii84.20 (4)
N1xlv—O1—H4xxxv8.676 (12)O2xi—H4—H1xiii105.35 (5)
N1xlv—O1—H4xxxvi119.898 (9)O2xi—H4—H1104.74 (5)
N1xlv—O1—H4v130.56 (2)O2xi—H4—H1xv72.32 (6)
N1xlv—O1—H4vi14.585 (4)O2xi—H4—H1xvii72.05 (4)
N1xlv—O1—H4xlvi107.094 (16)O2xi—H4—H350.66 (5)
N1xlv—O1—H4xliii107.004 (16)O2xi—H4—H4xv121.47 (4)
N1xlv—O1—H4xlvii130.66 (2)O2xi—H4—H4xvi120.70 (6)
N1xlv—O1—H4xliv14.535 (4)O2xi—H4—H4xviii156.63 (5)
K2—O1—N20.0 (5)O2xi—H4—H4xix142.72 (4)
K2—O1—S1180.0 (5)O2xi—H4—H4xx143.98 (6)
K2—O1—O1xxxvii85.08 (6)O2xi—H4—H5166.47 (5)
K2—O1—O1x85.08 (6)O2xi—H4—H5xviii76.64 (5)
K2—O1—O1xxxi85.08 (6)O2xii—H4—H1xiii51.74 (4)
K2—O1—O2xxv144.74 (6)O2xii—H4—H1119.47 (4)
K2—O1—O2xxvi144.74 (6)O2xii—H4—H1xv101.11 (4)
K2—O1—O2xxvii144.74 (6)O2xii—H4—H1xvii155.68 (3)
K2—O1—H1xxviii85.08 (9)O2xii—H4—H346.40 (3)
K2—O1—H1xxix85.08 (9)O2xii—H4—H4xv37.27 (3)
K2—O1—H1xxx85.08 (9)O2xii—H4—H4xvi77.88 (4)
K2—O1—H216.204 (14)O2xii—H4—H4xviii77.31 (3)
K2—O1—H2xv16.204 (14)O2xii—H4—H4xix124.72 (3)
K2—O1—H2xvi16.204 (14)O2xii—H4—H4xx84.61 (3)
K2—O1—H4xxxiv96.21 (6)O2xii—H4—H5107.01 (3)
K2—O1—H4xxxv96.21 (6)O2xii—H4—H5xviii36.25 (4)
K2—O1—H4xxxvi96.21 (6)H1xiii—H4—H1147.152 (5)
K2—O1—H4v79.34 (5)H1xiii—H4—H1xv64.281 (7)
K2—O1—H4vi79.39 (5)H1xiii—H4—H1xvii139.413 (5)
K2—O1—H4xlvi79.34 (5)H1xiii—H4—H394.630 (2)
K2—O1—H4xliii79.39 (5)H1xiii—H4—H4xv46.855 (6)
K2—O1—H4xlvii79.39 (5)H1xiii—H4—H4xvi106.133 (8)
K2—O1—H4xliv79.34 (5)H1xiii—H4—H4xviii74.100 (6)
N2—O1—S1180.0 (5)H1xiii—H4—H4xix111.144 (4)
N2—O1—O1xxxvii85.08 (6)H1xiii—H4—H4xx43.219 (3)
N2—O1—O1x85.08 (6)H1xiii—H4—H577.146 (3)
N2—O1—O1xxxi85.08 (6)H1xiii—H4—H5xviii87.585 (5)
N2—O1—O2xxv144.74 (6)H1—H4—H1xv139.050 (5)
N2—O1—O2xxvi144.74 (6)H1—H4—H1xvii63.889 (7)
N2—O1—O2xxvii144.74 (6)H1—H4—H394.2980 (17)
N2—O1—H1xxviii85.08 (9)H1—H4—H4xv104.914 (7)
N2—O1—H1xxix85.08 (9)H1—H4—H4xvi45.638 (6)
N2—O1—H1xxx85.08 (9)H1—H4—H4xviii73.052 (6)
N2—O1—H216.204 (14)H1—H4—H4xix42.9448 (18)
N2—O1—H2xv16.204 (14)H1—H4—H4xx110.584 (4)
N2—O1—H2xvi16.204 (14)H1—H4—H576.710 (3)
N2—O1—H4xxxiv96.21 (6)H1—H4—H5xviii86.787 (4)
N2—O1—H4xxxv96.21 (6)H1xv—H4—H1xvii77.013 (7)
N2—O1—H4xxxvi96.21 (6)H1xv—H4—H3111.4482 (12)
N2—O1—H4v79.34 (5)H1xv—H4—H4xv111.136 (7)
N2—O1—H4vi79.39 (5)H1xv—H4—H4xvi166.446 (3)
N2—O1—H4xlvi79.34 (5)H1xv—H4—H4xviii125.021 (5)
N2—O1—H4xliii79.39 (5)H1xv—H4—H4xix117.303 (3)
N2—O1—H4xlvii79.39 (5)H1xv—H4—H4xx76.461 (5)
N2—O1—H4xliv79.34 (5)H1xv—H4—H597.598 (3)
S1—O1—O1xxxvii94.92 (6)H1xv—H4—H5xviii129.498 (4)
S1—O1—O1x94.92 (6)H1xvii—H4—H3111.1332 (12)
S1—O1—O1xxxi94.92 (6)H1xvii—H4—H4xv165.408 (4)
S1—O1—O2xxv35.26 (6)H1xvii—H4—H4xvi109.527 (8)
S1—O1—O2xxvi35.26 (6)H1xvii—H4—H4xviii123.982 (6)
S1—O1—O2xxvii35.26 (6)H1xvii—H4—H4xix75.422 (5)
S1—O1—H1xxviii94.92 (9)H1xvii—H4—H4xx117.771 (4)
S1—O1—H1xxix94.92 (9)H1xvii—H4—H597.241 (4)
S1—O1—H1xxx94.92 (9)H1xvii—H4—H5xviii128.608 (4)
S1—O1—H2163.796 (14)H3—H4—H4xv77.8499 (18)
S1—O1—H2xv163.796 (14)H3—H4—H4xvi77.8499 (17)
S1—O1—H2xvi163.796 (14)H3—H4—H4xviii105.976 (5)
S1—O1—H4xxxiv83.79 (6)H3—H4—H4xix130.868 (3)
S1—O1—H4xxxv83.79 (6)H3—H4—H4xx130.868 (5)
S1—O1—H4xxxvi83.79 (6)H3—H4—H5142.852 (4)
S1—O1—H4v100.66 (5)H3—H4—H5xviii25.9788 (17)
S1—O1—H4vi100.61 (5)H4xv—H4—H4xvi60.000 (7)
S1—O1—H4xlvi100.66 (5)H4xv—H4—H4xviii41.437 (5)
S1—O1—H4xliii100.61 (5)H4xv—H4—H4xix90.000 (5)
S1—O1—H4xlvii100.61 (5)H4xv—H4—H4xx55.500 (4)
S1—O1—H4xliv100.66 (5)H4xv—H4—H570.152 (3)
O1xxxvii—O1—O1x119.273 (18)H4xv—H4—H5xviii56.139 (4)
O1xxxvii—O1—O1xxxi119.273 (18)H4xvi—H4—H4xviii41.437 (5)
O1xxxvii—O1—O2xxv77.41 (5)H4xvi—H4—H4xix55.500 (3)
O1xxxvii—O1—O2xxvi77.46 (6)H4xvi—H4—H4xx90.000 (5)
O1xxxvii—O1—O2xxvii130.17 (10)H4xvi—H4—H570.152 (3)
O1xxxvii—O1—H1xxviii119.27 (2)H4xvi—H4—H5xviii56.139 (4)
O1xxxvii—O1—H1xxix0.0 (5)H4xviii—H4—H4xix48.563 (5)
O1xxxvii—O1—H1xxx119.27 (2)H4xviii—H4—H4xx48.563 (4)
O1xxxvii—O1—H293.38 (7)H4xviii—H4—H536.8766 (5)
O1xxxvii—O1—H2xv68.88 (6)H4xviii—H4—H5xviii79.997 (6)
O1xxxvii—O1—H2xvi93.12 (7)H4xix—H4—H4xx69.000 (4)
O1xxxvii—O1—H4xxxiv60.742 (11)H4xix—H4—H534.501 (3)
O1xxxvii—O1—H4xxxv178.69 (11)H4xix—H4—H5xviii111.636 (5)
O1xxxvii—O1—H4xxxvi61.108 (11)H4xx—H4—H534.501 (3)
O1xxxvii—O1—H4v47.763 (11)H4xx—H4—H5xviii111.636 (7)
O1xxxvii—O1—H4vi160.29 (8)H5—H4—H5xviii116.873 (6)
O1xxxvii—O1—H4xlvi71.523 (14)K1—H5—N10.0 (5)
O1xxxvii—O1—H4xliii71.621 (14)K1—H5—K2xviii180.0 (5)
O1xxxvii—O1—H4xlvii47.664 (11)K1—H5—N2xviii180.0 (5)
O1xxxvii—O1—H4xliv160.31 (8)K1—H5—O2vii111.58 (4)
O1x—O1—O1xxxi119.273 (18)K1—H5—O2viii111.58 (4)
O1x—O1—O2xxv130.17 (10)K1—H5—O2ix111.58 (4)
O1x—O1—O2xxvi77.41 (7)K1—H5—H1xiii65.7147 (16)
O1x—O1—O2xxvii77.46 (7)K1—H5—H165.7147 (16)
O1x—O1—H1xxviii119.27 (2)K1—H5—H1xiv65.7147 (19)
O1x—O1—H1xxix119.27 (2)K1—H5—H1xv65.7147 (19)
O1x—O1—H1xxx0.0 (5)K1—H5—H1xvi65.715 (3)
O1x—O1—H293.12 (7)K1—H5—H1xvii65.715 (3)
O1x—O1—H2xv93.38 (7)K1—H5—H2i116.557 (2)
O1x—O1—H2xvi68.88 (6)K1—H5—H2xxii116.5565 (17)
O1x—O1—H4xxxiv61.108 (10)K1—H5—H2xxiv116.557 (3)
O1x—O1—H4xxxv60.742 (11)K1—H5—H3xviii180.0 (5)
O1x—O1—H4xxxvi178.69 (11)K1—H5—H423.082 (2)
O1x—O1—H4v160.31 (8)K1—H5—H4xv23.082 (2)
O1x—O1—H4vi47.664 (11)K1—H5—H4xvi23.0821 (14)
O1x—O1—H4xlvi47.763 (11)K1—H5—H4xviii40.044 (3)
O1x—O1—H4xliii160.29 (8)K1—H5—H4xix40.044 (3)
O1x—O1—H4xlvii71.621 (14)K1—H5—H4xx40.0445 (19)
O1x—O1—H4xliv71.523 (14)K1—H5—H5xviii0.0 (5)
O1xxxi—O1—O2xxv77.46 (5)N1—H5—K2xviii180.0 (5)
O1xxxi—O1—O2xxvi130.17 (10)N1—H5—N2xviii180.0 (5)
O1xxxi—O1—O2xxvii77.41 (6)N1—H5—O2vii111.58 (4)
O1xxxi—O1—H1xxviii0.0 (5)N1—H5—O2viii111.58 (4)
O1xxxi—O1—H1xxix119.27 (2)N1—H5—O2ix111.58 (4)
O1xxxi—O1—H1xxx119.27 (2)N1—H5—H1xiii65.7147 (16)
O1xxxi—O1—H268.88 (6)N1—H5—H165.7147 (16)
O1xxxi—O1—H2xv93.12 (7)N1—H5—H1xiv65.7147 (19)
O1xxxi—O1—H2xvi93.38 (7)N1—H5—H1xv65.7147 (19)
O1xxxi—O1—H4xxxiv178.69 (11)N1—H5—H1xvi65.715 (3)
O1xxxi—O1—H4xxxv61.108 (11)N1—H5—H1xvii65.715 (3)
O1xxxi—O1—H4xxxvi60.742 (10)N1—H5—H2i116.557 (2)
O1xxxi—O1—H4v71.523 (14)N1—H5—H2xxii116.5565 (17)
O1xxxi—O1—H4vi71.621 (14)N1—H5—H2xxiv116.557 (3)
O1xxxi—O1—H4xlvi160.31 (8)N1—H5—H3xviii180.0 (5)
O1xxxi—O1—H4xliii47.664 (11)N1—H5—H423.082 (2)
O1xxxi—O1—H4xlvii160.29 (8)N1—H5—H4xv23.082 (2)
O1xxxi—O1—H4xliv47.763 (12)N1—H5—H4xvi23.0821 (14)
O2xxv—O1—O2xxvi59.99 (9)N1—H5—H4xviii40.044 (3)
O2xxv—O1—O2xxvii59.99 (9)N1—H5—H4xix40.044 (3)
O2xxv—O1—H1xxviii77.46 (7)N1—H5—H4xx40.0445 (19)
O2xxv—O1—H1xxix77.41 (7)N1—H5—H5xviii0.0 (5)
O2xxv—O1—H1xxx130.17 (13)K2xviii—H5—N2xviii0.0 (5)
O2xxv—O1—H2134.83 (5)K2xviii—H5—O2vii68.42 (4)
O2xxv—O1—H2xv134.61 (5)K2xviii—H5—O2viii68.42 (4)
O2xxv—O1—H2xvi160.95 (7)K2xviii—H5—O2ix68.42 (4)
O2xxv—O1—H4xxxiv101.33 (7)K2xviii—H5—H1xiii114.2853 (16)
O2xxv—O1—H4xxxv101.57 (7)K2xviii—H5—H1114.2853 (16)
O2xxv—O1—H4xxxvi48.53 (5)K2xviii—H5—H1xiv114.2853 (19)
O2xxv—O1—H4v66.19 (4)K2xviii—H5—H1xv114.2853 (19)
O2xxv—O1—H4vi122.12 (7)K2xviii—H5—H1xvi114.285 (3)
O2xxv—O1—H4xlvi122.07 (7)K2xviii—H5—H1xvii114.285 (3)
O2xxv—O1—H4xliii66.16 (4)K2xviii—H5—H2i63.443 (2)
O2xxv—O1—H4xlvii108.87 (5)K2xviii—H5—H2xxii63.4435 (17)
O2xxv—O1—H4xliv109.02 (5)K2xviii—H5—H2xxiv63.443 (3)
O2xxvi—O1—O2xxvii59.99 (7)K2xviii—H5—H3xviii0.0 (5)
O2xxvi—O1—H1xxviii130.17 (13)K2xviii—H5—H4156.918 (2)
O2xxvi—O1—H1xxix77.46 (7)K2xviii—H5—H4xv156.918 (2)
O2xxvi—O1—H1xxx77.41 (8)K2xviii—H5—H4xvi156.9180 (14)
O2xxvi—O1—H2160.95 (7)K2xviii—H5—H4xviii139.956 (3)
O2xxvi—O1—H2xv134.83 (4)K2xviii—H5—H4xix139.956 (3)
O2xxvi—O1—H2xvi134.61 (5)K2xviii—H5—H4xx139.9555 (19)
O2xxvi—O1—H4xxxiv48.53 (5)K2xviii—H5—H5xviii180.0 (5)
O2xxvi—O1—H4xxxv101.33 (8)N2xviii—H5—O2vii68.42 (4)
O2xxvi—O1—H4xxxvi101.57 (9)N2xviii—H5—O2viii68.42 (4)
O2xxvi—O1—H4v109.02 (7)N2xviii—H5—O2ix68.42 (4)
O2xxvi—O1—H4vi108.87 (6)N2xviii—H5—H1xiii114.2853 (16)
O2xxvi—O1—H4xlvi66.19 (5)N2xviii—H5—H1114.2853 (16)
O2xxvi—O1—H4xliii122.12 (8)N2xviii—H5—H1xiv114.2853 (19)
O2xxvi—O1—H4xlvii66.16 (4)N2xviii—H5—H1xv114.2853 (19)
O2xxvi—O1—H4xliv122.07 (7)N2xviii—H5—H1xvi114.285 (3)
O2xxvii—O1—H1xxviii77.41 (7)N2xviii—H5—H1xvii114.285 (3)
O2xxvii—O1—H1xxix130.17 (13)N2xviii—H5—H2i63.443 (2)
O2xxvii—O1—H1xxx77.46 (8)N2xviii—H5—H2xxii63.4435 (17)
O2xxvii—O1—H2134.61 (4)N2xviii—H5—H2xxiv63.443 (3)
O2xxvii—O1—H2xv160.95 (7)N2xviii—H5—H3xviii0.0 (5)
O2xxvii—O1—H2xvi134.83 (5)N2xviii—H5—H4156.918 (2)
O2xxvii—O1—H4xxxiv101.57 (8)N2xviii—H5—H4xv156.918 (2)
O2xxvii—O1—H4xxxv48.53 (5)N2xviii—H5—H4xvi156.9179 (14)
O2xxvii—O1—H4xxxvi101.33 (8)N2xviii—H5—H4xviii139.956 (3)
O2xxvii—O1—H4v122.07 (8)N2xviii—H5—H4xix139.956 (3)
O2xxvii—O1—H4vi66.16 (5)N2xviii—H5—H4xx139.9555 (19)
O2xxvii—O1—H4xlvi109.02 (6)N2xviii—H5—H5xviii180.0 (5)
O2xxvii—O1—H4xliii108.87 (6)O2vii—H5—O2viii107.28 (6)
O2xxvii—O1—H4xlvii122.12 (7)O2vii—H5—O2ix107.28 (6)
O2xxvii—O1—H4xliv66.19 (4)O2vii—H5—H1xiii54.37 (4)
H1xxviii—O1—H1xxix119.27 (3)O2vii—H5—H1152.26 (3)
H1xxviii—O1—H1xxx119.27 (3)O2vii—H5—H1xiv152.32 (3)
H1xxviii—O1—H268.88 (8)O2vii—H5—H1xv54.34 (4)
H1xxviii—O1—H2xv93.12 (10)O2vii—H5—H1xvi98.73 (3)
H1xxviii—O1—H2xvi93.38 (10)O2vii—H5—H1xvii98.67 (3)
H1xxviii—O1—H4xxxiv178.69 (15)O2vii—H5—H2i41.88 (3)
H1xxviii—O1—H4xxxv61.108 (10)O2vii—H5—H2xxii129.93 (4)
H1xxviii—O1—H4xxxvi60.742 (9)O2vii—H5—H2xxiv67.00 (3)
H1xxviii—O1—H4v71.523 (18)O2vii—H5—H3xviii68.42 (4)
H1xxviii—O1—H4vi71.621 (18)O2vii—H5—H498.76 (4)
H1xxviii—O1—H4xlvi160.31 (11)O2vii—H5—H4xv99.20 (4)
H1xxviii—O1—H4xliii47.664 (14)O2vii—H5—H4xvi134.66 (4)
H1xxviii—O1—H4xlvii160.29 (11)O2vii—H5—H4xviii125.94 (3)
H1xxviii—O1—H4xliv47.763 (15)O2vii—H5—H4xix125.06 (4)
H1xxix—O1—H1xxx119.27 (3)O2vii—H5—H4xx71.54 (4)
H1xxix—O1—H293.38 (10)O2vii—H5—H5xviii111.58 (4)
H1xxix—O1—H2xv68.88 (8)O2viii—H5—O2ix107.28 (6)
H1xxix—O1—H2xvi93.12 (10)O2viii—H5—H1xiii98.67 (5)
H1xxix—O1—H4xxxiv60.742 (10)O2viii—H5—H198.73 (5)
H1xxix—O1—H4xxxv178.69 (15)O2viii—H5—H1xiv54.37 (5)
H1xxix—O1—H4xxxvi61.108 (10)O2viii—H5—H1xv152.26 (5)
H1xxix—O1—H4v47.763 (15)O2viii—H5—H1xvi54.34 (4)
H1xxix—O1—H4vi160.29 (11)O2viii—H5—H1xvii152.32 (5)
H1xxix—O1—H4xlvi71.523 (18)O2viii—H5—H2i67.00 (5)
H1xxix—O1—H4xliii71.621 (18)O2viii—H5—H2xxii41.88 (5)
H1xxix—O1—H4xlvii47.664 (15)O2viii—H5—H2xxiv129.93 (4)
H1xxix—O1—H4xliv160.31 (11)O2viii—H5—H3xviii68.42 (4)
H1xxx—O1—H293.12 (10)O2viii—H5—H4134.66 (4)
H1xxx—O1—H2xv93.38 (10)O2viii—H5—H4xv98.76 (4)
H1xxx—O1—H2xvi68.88 (8)O2viii—H5—H4xvi99.20 (4)
H1xxx—O1—H4xxxiv61.108 (9)O2viii—H5—H4xviii71.54 (4)
H1xxx—O1—H4xxxv60.742 (10)O2viii—H5—H4xix125.94 (5)
H1xxx—O1—H4xxxvi178.69 (15)O2viii—H5—H4xx125.06 (4)
H1xxx—O1—H4v160.31 (11)O2viii—H5—H5xviii111.58 (4)
H1xxx—O1—H4vi47.664 (15)O2ix—H5—H1xiii152.32 (5)
H1xxx—O1—H4xlvi47.763 (15)O2ix—H5—H154.34 (5)
H1xxx—O1—H4xliii160.29 (11)O2ix—H5—H1xiv98.67 (5)
H1xxx—O1—H4xlvii71.621 (18)O2ix—H5—H1xv98.73 (4)
H1xxx—O1—H4xliv71.523 (18)O2ix—H5—H1xvi152.26 (5)
H2—O1—H2xv27.97 (2)O2ix—H5—H1xvii54.37 (4)
H2—O1—H2xvi27.97 (2)O2ix—H5—H2i129.93 (4)
H2—O1—H4xxxiv112.41 (7)O2ix—H5—H2xxii67.00 (4)
H2—O1—H4xxxv87.92 (5)O2ix—H5—H2xxiv41.88 (5)
H2—O1—H4xxxvi88.08 (5)O2ix—H5—H3xviii68.42 (4)
H2—O1—H4v74.95 (4)O2ix—H5—H499.20 (4)
H2—O1—H4vi74.75 (4)O2ix—H5—H4xv134.66 (4)
H2—O1—H4xlvi95.16 (6)O2ix—H5—H4xvi98.76 (4)
H2—O1—H4xliii68.95 (4)O2ix—H5—H4xviii125.06 (5)
H2—O1—H4xlvii95.27 (6)O2ix—H5—H4xix71.54 (4)
H2—O1—H4xliv68.70 (4)O2ix—H5—H4xx125.94 (4)
H2xv—O1—H2xvi27.97 (2)O2ix—H5—H5xviii111.58 (4)
H2xv—O1—H4xxxiv88.08 (5)H1xiii—H5—H1131.429 (3)
H2xv—O1—H4xxxv112.41 (7)H1xiii—H5—H1xiv104.257 (5)
H2xv—O1—H4xxxvi87.92 (5)H1xiii—H5—H1xv54.227 (7)
H2xv—O1—H4v68.70 (4)H1xiii—H5—H1xvi54.227 (6)
H2xv—O1—H4vi95.27 (6)H1xiii—H5—H1xvii104.257 (6)
H2xv—O1—H4xlvi74.95 (4)H1xiii—H5—H2i53.069 (4)
H2xv—O1—H4xliii74.75 (4)H1xiii—H5—H2xxii140.167 (6)
H2xv—O1—H4xlvii68.95 (4)H1xiii—H5—H2xxiv112.616 (6)
H2xv—O1—H4xliv95.16 (6)H1xiii—H5—H3xviii114.2853 (16)
H2xvi—O1—H4xxxiv87.92 (5)H1xiii—H5—H467.514 (4)
H2xvi—O1—H4xxxv88.08 (5)H1xiii—H5—H4xv46.7043 (15)
H2xvi—O1—H4xxxvi112.41 (7)H1xiii—H5—H4xvi86.167 (3)
H2xvi—O1—H4v95.16 (6)H1xiii—H5—H4xviii72.054 (4)
H2xvi—O1—H4vi68.95 (4)H1xiii—H5—H4xix100.931 (5)
H2xvi—O1—H4xlvi68.70 (4)H1xiii—H5—H4xx34.303 (3)
H2xvi—O1—H4xliii95.27 (6)H1xiii—H5—H5xviii65.7147 (16)
H2xvi—O1—H4xlvii74.75 (4)H1—H5—H1xiv54.227 (7)
H2xvi—O1—H4xliv74.95 (4)H1—H5—H1xv104.257 (5)
H4xxxiv—O1—H4xxxv118.85 (2)H1—H5—H1xvi104.257 (6)
H4xxxiv—O1—H4xxxvi118.85 (2)H1—H5—H1xvii54.227 (6)
H4xxxiv—O1—H4v108.505 (10)H1—H5—H2i165.604 (4)
H4xxxiv—O1—H4vi108.772 (10)H1—H5—H2xxii66.412 (4)
H4xxxiv—O1—H4xlvi20.836 (9)H1—H5—H2xxiv89.037 (7)
H4xxxiv—O1—H4xliii132.361 (12)H1—H5—H3xviii114.2853 (16)
H4xxxiv—O1—H4xlvii20.631 (9)H1—H5—H468.022 (3)
H4xxxiv—O1—H4xliv132.630 (12)H1—H5—H4xv85.932 (4)
H4xxxv—O1—H4xxxvi118.85 (2)H1—H5—H4xvi46.3806 (17)
H4xxxv—O1—H4v132.630 (12)H1—H5—H4xviii71.241 (6)
H4xxxv—O1—H4vi20.631 (9)H1—H5—H4xix34.982 (3)
H4xxxv—O1—H4xlvi108.505 (10)H1—H5—H4xx101.324 (3)
H4xxxv—O1—H4xliii108.772 (10)H1—H5—H5xviii65.7147 (16)
H4xxxv—O1—H4xlvii132.361 (12)H1xiv—H5—H1xv131.429 (4)
H4xxxv—O1—H4xliv20.836 (9)H1xiv—H5—H1xvi54.227 (6)
H4xxxvi—O1—H4v20.836 (8)H1xiv—H5—H1xvii104.257 (7)
H4xxxvi—O1—H4vi132.361 (12)H1xiv—H5—H2i112.616 (7)
H4xxxvi—O1—H4xlvi132.630 (12)H1xiv—H5—H2xxii53.069 (4)
H4xxxvi—O1—H4xliii20.631 (9)H1xiv—H5—H2xxiv140.167 (5)
H4xxxvi—O1—H4xlvii108.772 (10)H1xiv—H5—H3xviii114.2853 (19)
H4xxxvi—O1—H4xliv108.505 (10)H1xiv—H5—H486.167 (4)
H4v—O1—H4vi138.61 (5)H1xiv—H5—H4xv67.514 (3)
H4v—O1—H4xlvi116.66 (3)H1xiv—H5—H4xvi46.7044 (19)
H4v—O1—H4xliii23.860 (7)H1xiv—H5—H4xviii34.303 (3)
H4v—O1—H4xlvii93.56 (2)H1xiv—H5—H4xix72.054 (6)
H4v—O1—H4xliv116.66 (3)H1xiv—H5—H4xx100.931 (4)
H4vi—O1—H4xlvi93.56 (2)H1xiv—H5—H5xviii65.7147 (19)
H4vi—O1—H4xliii116.69 (3)H1xv—H5—H1xvi104.257 (7)
H4vi—O1—H4xlvii116.69 (3)H1xv—H5—H1xvii54.227 (6)
H4vi—O1—H4xliv23.860 (6)H1xv—H5—H2i89.037 (6)
H4xlvi—O1—H4xliii138.61 (5)H1xv—H5—H2xxii165.604 (4)
H4xlvi—O1—H4xlvii23.860 (7)H1xv—H5—H2xxiv66.412 (6)
H4xlvi—O1—H4xliv116.66 (3)H1xv—H5—H3xviii114.2853 (19)
H4xliii—O1—H4xlvii116.69 (3)H1xv—H5—H446.3806 (15)
H4xliii—O1—H4xliv93.56 (2)H1xv—H5—H4xv68.022 (4)
H4xlvii—O1—H4xliv138.61 (5)H1xv—H5—H4xvi85.932 (3)
K1xlviii—O2—N1xlviii0.0 (5)H1xv—H5—H4xviii101.324 (5)
K1xlviii—O2—K2xxxiv97.79 (5)H1xv—H5—H4xix71.241 (4)
K1xlviii—O2—K2xlv97.84 (5)H1xv—H5—H4xx34.982 (3)
K1xlviii—O2—K2x96.80 (6)H1xv—H5—H5xviii65.7147 (19)
K1xlviii—O2—N2xxxiv97.83 (4)H1xvi—H5—H1xvii131.429 (5)
K1xlviii—O2—N2xlv97.88 (4)H1xvi—H5—H2i66.412 (6)
K1xlviii—O2—S1xxv115.57 (7)H1xvi—H5—H2xxii89.037 (7)
K1xlviii—O2—O1xxv78.63 (5)H1xvi—H5—H2xxiv165.604 (4)
K1xlviii—O2—O2xv126.53 (6)H1xvi—H5—H3xviii114.285 (3)
K1xlviii—O2—O2xvi126.46 (6)H1xvi—H5—H485.932 (5)
K1xlviii—O2—H1xlix63.75 (3)H1xvi—H5—H4xv46.3806 (16)
K1xlviii—O2—H1l63.76 (3)H1xvi—H5—H4xvi68.022 (4)
K1xlviii—O2—H2xxxiv105.50 (5)H1xvi—H5—H4xviii34.982 (3)
K1xlviii—O2—H2xxxv105.75 (5)H1xvi—H5—H4xix101.324 (6)
K1xlviii—O2—H2li85.14 (4)H1xvi—H5—H4xx71.241 (5)
K1xlviii—O2—H2xxx85.16 (4)H1xvi—H5—H5xviii65.715 (3)
K1xlviii—O2—H2xxxiii112.56 (6)H1xvii—H5—H2i140.167 (5)
K1xlviii—O2—H3x79.85 (5)H1xvii—H5—H2xxii112.616 (6)
K1xlviii—O2—H4xlviii16.259 (9)H1xvii—H5—H2xxiv53.069 (6)
K1xlviii—O2—H4l16.191 (9)H1xvii—H5—H3xviii114.285 (3)
K1xlviii—O2—H4x16.822 (10)H1xvii—H5—H446.7044 (16)
K1xlviii—O2—H4lii16.869 (10)H1xvii—H5—H4xv86.167 (5)
K1xlviii—O2—H4xxxiii6.777 (15)H1xvii—H5—H4xvi67.514 (4)
K1xlviii—O2—H5xlviii25.047 (18)H1xvii—H5—H4xviii100.931 (6)
N1xlviii—O2—K2xxxiv97.79 (5)H1xvii—H5—H4xix34.303 (3)
N1xlviii—O2—K2xlv97.84 (5)H1xvii—H5—H4xx72.054 (5)
N1xlviii—O2—K2x96.80 (6)H1xvii—H5—H5xviii65.715 (3)
N1xlviii—O2—N2xxxiv97.83 (4)H2i—H5—H2xxii101.547 (5)
N1xlviii—O2—N2xlv97.88 (4)H2i—H5—H2xxiv101.547 (7)
N1xlviii—O2—S1xxv115.57 (7)H2i—H5—H3xviii63.443 (2)
N1xlviii—O2—O1xxv78.63 (5)H2i—H5—H4120.173 (3)
N1xlviii—O2—O2xv126.53 (6)H2i—H5—H4xv94.152 (4)
N1xlviii—O2—O2xvi126.46 (6)H2i—H5—H4xvi131.213 (3)
N1xlviii—O2—H1xlix63.75 (3)H2i—H5—H4xviii101.093 (6)
N1xlviii—O2—H1l63.76 (3)H2i—H5—H4xix153.9478 (19)
N1xlviii—O2—H2xxxiv105.50 (5)H2i—H5—H4xx86.330 (4)
N1xlviii—O2—H2xxxv105.75 (5)H2i—H5—H5xviii116.557 (2)
N1xlviii—O2—H2li85.14 (4)H2xxii—H5—H2xxiv101.547 (6)
N1xlviii—O2—H2xxx85.16 (4)H2xxii—H5—H3xviii63.4435 (17)
N1xlviii—O2—H2xxxiii112.56 (6)H2xxii—H5—H4131.213 (2)
N1xlviii—O2—H3x79.85 (5)H2xxii—H5—H4xv120.173 (4)
N1xlviii—O2—H4xlviii16.259 (9)H2xxii—H5—H4xvi94.152 (3)
N1xlviii—O2—H4l16.191 (9)H2xxii—H5—H4xviii86.330 (5)
N1xlviii—O2—H4x16.822 (10)H2xxii—H5—H4xix101.093 (4)
N1xlviii—O2—H4lii16.869 (10)H2xxii—H5—H4xx153.9478 (18)
N1xlviii—O2—H4xxxiii6.777 (15)H2xxii—H5—H5xviii116.5565 (17)
N1xlviii—O2—H5xlviii25.047 (18)H2xxiv—H5—H3xviii63.443 (3)
K2xxxiv—O2—K2xlv145.44 (7)H2xxiv—H5—H494.152 (5)
K2xxxiv—O2—K2x73.83 (4)H2xxiv—H5—H4xv131.213 (2)
K2xxxiv—O2—N2x73.83 (4)H2xxiv—H5—H4xvi120.173 (4)
K2xxxiv—O2—S1xxv100.29 (6)H2xxiv—H5—H4xviii153.9478 (18)
K2xxxiv—O2—O1xxv106.57 (5)H2xxiv—H5—H4xix86.330 (6)
K2xxxiv—O2—O2xv124.20 (7)H2xxiv—H5—H4xx101.093 (5)
K2xxxiv—O2—O2xvi66.87 (4)H2xxiv—H5—H5xviii116.557 (3)
K2xxxiv—O2—H1xlix73.29 (4)H3xviii—H5—H4156.918 (2)
K2xxxiv—O2—H1l141.07 (6)H3xviii—H5—H4xv156.918 (2)
K2xxxiv—O2—H2xxxiv9.023 (16)H3xviii—H5—H4xvi156.9180 (14)
K2xxxiv—O2—H2xxxv145.23 (7)H3xviii—H5—H4xviii139.956 (3)
K2xxxiv—O2—H2li15.647 (10)H3xviii—H5—H4xix139.956 (3)
K2xxxiv—O2—H2xxx139.88 (6)H3xviii—H5—H4xx139.9555 (19)
K2xxxiv—O2—H2xxxiii72.93 (4)H3xviii—H5—H5xviii180.0 (5)
K2xxxiv—O2—H3x76.33 (4)H4—H5—H4xv39.696 (5)
K2xxxiv—O2—H4xlviii112.26 (5)H4—H5—H4xvi39.696 (3)
K2xxxiv—O2—H4l88.67 (5)H4—H5—H4xviii63.127 (6)
K2xxxiv—O2—H4x82.69 (4)H4—H5—H4xix33.862 (3)
K2xxxiv—O2—H4lii106.82 (5)H4—H5—H4xx33.862 (3)
K2xxxiv—O2—H4xxxiii99.30 (5)H4—H5—H5xviii23.082 (2)
K2xxxiv—O2—H5xlviii90.62 (5)H4xv—H5—H4xvi39.696 (3)
K2xlv—O2—K2x73.86 (4)H4xv—H5—H4xviii33.862 (3)
K2xlv—O2—N2xxxiv145.39 (6)H4xv—H5—H4xix63.127 (5)
K2xlv—O2—N2xlv0.0 (5)H4xv—H5—H4xx33.862 (3)
K2xlv—O2—N2x73.86 (4)H4xv—H5—H5xviii23.082 (2)
K2xlv—O2—S1xxv100.39 (6)H4xvi—H5—H4xviii33.862 (4)
K2xlv—O2—O1xxv106.63 (5)H4xvi—H5—H4xix33.862 (4)
K2xlv—O2—O2xv66.96 (4)H4xvi—H5—H4xx63.127 (3)
K2xlv—O2—O2xvi124.30 (7)H4xvi—H5—H5xviii23.0821 (14)
K2xlv—O2—H1xlix141.13 (6)H4xviii—H5—H4xix67.723 (7)
K2xlv—O2—H1l73.35 (4)H4xviii—H5—H4xx67.723 (5)
K2xlv—O2—H2xxxiv145.14 (7)H4xviii—H5—H5xviii40.044 (3)
K2xlv—O2—H2xxxv9.336 (15)H4xix—H5—H4xx67.723 (4)
K2xlv—O2—H2li140.00 (6)H4xix—H5—H5xviii40.044 (3)
K2xlv—O2—H2xxx15.744 (10)H4xx—H5—H5xviii40.0445 (19)
Symmetry codes: (i) x2/3, y1/3, z1/3; (ii) x+1/3, y1/3, z1/3; (iii) x+1/3, y+2/3, z1/3; (iv) x1/3, y2/3, z+1/3; (v) x1/3, y+1/3, z+1/3; (vi) x+2/3, y+1/3, z+1/3; (vii) x1/3, y+1/3, z2/3; (viii) y1/3, xy2/3, z2/3; (ix) x+y+2/3, x+1/3, z2/3; (x) x+1/3, y1/3, z+2/3; (xi) y+1/3, x+y+2/3, z+2/3; (xii) xy2/3, x1/3, z+2/3; (xiii) x1, y, z; (xiv) y, xy1, z; (xv) y, xy, z; (xvi) x+y, x, z; (xvii) x+y+1, x+1, z; (xviii) x, y, z; (xix) y, x+y, z; (xx) xy, x, z; (xxi) y2/3, xy1/3, z1/3; (xxii) y+1/3, xy1/3, z1/3; (xxiii) x+y+1/3, x1/3, z1/3; (xxiv) x+y+1/3, x+2/3, z1/3; (xxv) x, y, z+1; (xxvi) y, x+y, z+1; (xxvii) xy, x, z+1; (xxviii) x1/3, y+1/3, z+1/3; (xxix) y1/3, xy2/3, z+1/3; (xxx) x+y+2/3, x+1/3, z+1/3; (xxxi) x+1/3, y+2/3, z+2/3; (xxxii) y2/3, x+y1/3, z+2/3; (xxxiii) xy+1/3, x1/3, z+2/3; (xxxiv) x1/3, y2/3, z+1/3; (xxxv) y+2/3, xy+1/3, z+1/3; (xxxvi) x+y1/3, x+1/3, z+1/3; (xxxvii) x2/3, y1/3, z+2/3; (xxxviii) y+1, xy, z; (xxxix) x+y+1, x, z; (xl) x+1, y, z; (xli) x+1, y, z; (xlii) xy+1, x, z; (xliii) y1/3, x+y+1/3, z+1/3; (xliv) xy+2/3, x+1/3, z+1/3; (xlv) x+2/3, y+1/3, z+1/3; (xlvi) y1/3, x+y2/3, z+1/3; (xlvii) xy1/3, x2/3, z+1/3; (xlviii) x+1/3, y1/3, z+2/3; (xlix) x2/3, y1/3, z+2/3; (l) y+1/3, xy1/3, z+2/3; (li) x+y1/3, x2/3, z+1/3; (lii) y+1/3, x+y1/3, z+2/3; (liii) x+2/3, y+1/3, z2/3.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1ii—H1···O1vi1.6738 (4)1.6738 (4)3.3476 (8)**
Symmetry codes: (ii) x+1/3, y1/3, z1/3; (vi) x+2/3, y+1/3, z+1/3.
 

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