Ethyl 4-(9H-carbazol-9-yl)benzoate: fivefold superstructure with ten crystallographically independent mol­ecules refined from a twinned crystal

The photophysical properties of organic fluoro­phores are sensitive to the local sterics of the surrounding environment. Restriction of torsional motion in aggregates and crystals can give rise to enhanced emissive behavior. N-Aryl-substituted carbazoles serve an essential role as ubiquitous host matrices for organic light-emitting diodes, due to their large band gaps and high triplet energies, and so studies connecting photophysical behaviors with detailed crystallographic structural information are important. To elucidate the structural changes involved in the excited-state charge-transfer processes of N-aryl-substituted carbazoles with ester withdrawing groups, ethyl 4-(9H-carbazol-9-yl) benzoate, C₂₁H₁₇NO₂, was synthesized. The compound crystallizes with ten independent mol­ecules in the asymmetric unit that pack together through moderate C-H...[pi] inter­actions between carbazole units (2.5-2.9 Å) and [pi]-stacks of benzoate groups (3.8-3.9 Å) between neighboring mol­ecules. Four of the ten independent mol­ecules show disorder by rotation of the ethyl carboxyl­ate groups, with major occupancy rates between 0.931 (3) and 0.840 (3). The attached benzoate groups are also disordered, with identical occupancies, to compensate for the altered steric profile of the misaligned ethyl ester groups. For two mol­ecules, the disorder extends to the entire carbazole units as well. Torsion angles between the nonplanar carbazole and benzoate groups range from [theta] = 44.8 to 57.2°, while those between the benzoate planes and the carboxyl­ate COO atoms vary from [alpha] = 6.4 to 15.7°. The crystal is twinned by pseudomerohedry. The superstructure can be reduced to a hypothetical averaged parent structure in the space group Pbcn with Z' = 1, displaying fourfold disorder. Variable-temperature data collection shows that there is no phase transition between the disordered supercell and the hypothetical parent structure; supercell reflections persist up to 350 K. We propose that the disorder and variation in torsion angles result from frustrated close-packing and necessitate a unit cell with a high Z' number.

Computing details

Data collection: APEX2 (Bruker, 2012); cell refinement: SAINT (Bruker, 2012); data reduction: SAINT (Bruker, 2012); program(s) used to solve structure: XM in SHELXD (Usón & Sheldrick, 1999; Sheldrick et al., 2001); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015) and SHELXLE (Hübschle et al., 2011); molecular graphics: Mercury (Macrae et al., 2006) and SHELXLE (Hübschle et al., 2011); software used to prepare material for publication: SHELXTL (Bruker, 2012) and publCIF (Westrip, 2010).

Ethyl 4-(9H-carbazol-9-yl)benzoate

Crystal data

C21H17NO2	F(000) = 6640
Mr = 315.36	Dx = 1.278 Mg m^−3
Monoclinic, P21/c	Cu Kα radiation, λ = 1.54178 Å
a = 16.4815 (9) Å	Cell parameters from 9774 reflections
b = 24.8758 (14) Å	θ = 3.8–74.6°
c = 39.975 (2) Å	µ = 0.65 mm^−1
β = 90.0317 (19)°	T = 100 K
V = 16389.5 (15) Å^3	Plate, colourless
Z = 40	0.70 × 0.58 × 0.05 mm

Data collection

Bruker AXS D8 Quest ECO CMOS diffractometer	34664 independent reflections
Radiation source: I-mu-S microsource X-ray tube	27847 reflections with I > 2σ(I)
Laterally graded multilayer (Goebel) mirror monochromator	Rint = 0.100
ω and phi scans	θmax = 79.3°, θmin = 2.7°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −20→20
Tmin = 0.497, Tmax = 0.754	k = −30→27
166434 measured reflections	l = −42→50

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.089	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.239	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.1322P)^2 + 15.8371P] where P = (Fo^2 + 2Fc^2)/3
34664 reflections	(Δ/σ)max = 0.002
2816 parameters	Δρmax = 0.64 e Å^−3
2422 restraints	Δρmin = −0.64 e Å^−3

Special details

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. Refined as a 2-component twin

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1A	0.3114 (3)	0.14853 (16)	−0.01801 (10)	0.0254 (8)
C2A	0.3667 (3)	0.13870 (17)	0.00745 (11)	0.0286 (9)
H2A	0.3531	0.1167	0.0260	0.034*
C3A	0.4432 (3)	0.1625 (2)	0.00467 (12)	0.0383 (11)
H3A	0.4824	0.1568	0.0217	0.046*
C4A	0.4629 (3)	0.1944 (2)	−0.02286 (13)	0.0446 (13)
H4A	0.5153	0.2102	−0.0242	0.054*
C5A	0.4076 (3)	0.20346 (18)	−0.04808 (12)	0.0362 (11)
H5A	0.4219	0.2248	−0.0669	0.043*
C6A	0.3304 (3)	0.18095 (16)	−0.04569 (10)	0.0276 (9)
C7A	0.2590 (3)	0.18261 (15)	−0.06676 (10)	0.0260 (9)
C8A	0.2399 (3)	0.21081 (17)	−0.09585 (10)	0.0330 (10)
H8A	0.2793	0.2332	−0.1061	0.040*
C9A	0.1633 (3)	0.20596 (16)	−0.10963 (11)	0.0332 (10)
H9A	0.1498	0.2253	−0.1294	0.040*
C10A	0.1052 (3)	0.17236 (17)	−0.09444 (10)	0.0305 (10)
H10A	0.0531	0.1687	−0.1044	0.037*
C11A	0.1224 (3)	0.14447 (16)	−0.06521 (10)	0.0254 (9)
H11A	0.0830	0.1220	−0.0550	0.031*
C12A	0.1997 (3)	0.15059 (14)	−0.05131 (9)	0.0207 (8)
N1A	0.2313 (2)	0.12960 (12)	−0.02150 (8)	0.0208 (7)
C13A	0.1907 (2)	0.09443 (14)	0.00079 (9)	0.0179 (7)
C14A	0.1906 (2)	0.10429 (14)	0.03526 (9)	0.0192 (7)
H14A	0.2170	0.1352	0.0440	0.023*
C15A	0.1520 (2)	0.06884 (15)	0.05661 (9)	0.0199 (8)
H15A	0.1541	0.0746	0.0801	0.024*
C16A	0.1098 (2)	0.02447 (14)	0.04388 (9)	0.0170 (7)
C17A	0.1081 (2)	0.01596 (14)	0.00938 (9)	0.0184 (7)
H17A	0.0787	−0.0137	0.0006	0.022*
C18A	0.1485 (2)	0.05021 (14)	−0.01203 (8)	0.0190 (7)
H18A	0.1477	0.0438	−0.0355	0.023*
C19A	0.0690 (2)	−0.01572 (15)	0.06560 (9)	0.0200 (8)
O1A	0.08134 (18)	−0.00678 (11)	0.09816 (6)	0.0256 (6)
O2A	0.02904 (19)	−0.05266 (11)	0.05473 (7)	0.0278 (6)
C20A	0.0441 (3)	−0.04615 (18)	0.12072 (10)	0.0236 (9)	0.931 (3)
H20A	0.0665	−0.0825	0.1166	0.028*	0.931 (3)
H20B	−0.0154	−0.0473	0.1173	0.028*	0.931 (3)
C21A	0.0638 (5)	−0.0279 (3)	0.15582 (13)	0.0503 (17)	0.931 (3)
H21A	0.0372	−0.0517	0.1720	0.075*	0.931 (3)
H21B	0.0444	0.0090	0.1590	0.075*	0.931 (3)
H21C	0.1227	−0.0290	0.1592	0.075*	0.931 (3)
C20K	0.075 (4)	−0.0556 (16)	0.1192 (13)	0.0236 (9)	0.069 (3)
H20V	0.1290	−0.0721	0.1237	0.028*	0.069 (3)
H20W	0.0378	−0.0827	0.1098	0.028*	0.069 (3)
C21K	0.041 (4)	−0.027 (4)	0.1493 (15)	0.040 (8)	0.069 (3)
H214	0.0319	−0.0534	0.1673	0.061*	0.069 (3)
H215	0.0793	0.0002	0.1570	0.061*	0.069 (3)
H216	−0.0106	−0.0102	0.1433	0.061*	0.069 (3)
C1B	0.2452 (3)	0.16136 (14)	0.15317 (9)	0.0205 (8)
C2B	0.1629 (3)	0.15471 (16)	0.14584 (10)	0.0276 (9)
H2B	0.1302	0.1303	0.1582	0.033*
C3B	0.1307 (3)	0.18493 (17)	0.11999 (12)	0.0363 (11)
H3B	0.0746	0.1818	0.1149	0.044*
C4B	0.1788 (3)	0.22018 (18)	0.10106 (11)	0.0382 (12)
H4B	0.1556	0.2396	0.0830	0.046*
C5B	0.2606 (3)	0.22667 (15)	0.10876 (10)	0.0291 (10)
H5B	0.2933	0.2510	0.0963	0.035*
C6B	0.2935 (3)	0.19717 (14)	0.13480 (9)	0.0210 (8)
C7B	0.3743 (2)	0.19576 (14)	0.14961 (8)	0.0189 (8)
C8B	0.4468 (3)	0.22243 (16)	0.14226 (9)	0.0246 (8)
H8B	0.4493	0.2485	0.1249	0.030*
C9B	0.5150 (3)	0.20970 (17)	0.16101 (10)	0.0299 (9)
H9B	0.5647	0.2277	0.1566	0.036*
C10B	0.5119 (3)	0.17121 (16)	0.18605 (10)	0.0258 (8)
H10B	0.5602	0.1628	0.1980	0.031*
C11B	0.4409 (2)	0.14456 (15)	0.19431 (9)	0.0215 (8)
H11B	0.4392	0.1185	0.2117	0.026*
C12B	0.3717 (2)	0.15804 (15)	0.17565 (8)	0.0185 (7)
N1B	0.2929 (2)	0.13744 (12)	0.17794 (7)	0.0186 (6)
C13B	0.2643 (2)	0.10626 (14)	0.20505 (8)	0.0134 (7)	0.931 (3)
C14B	0.2219 (2)	0.05854 (15)	0.19907 (9)	0.0182 (7)	0.931 (3)
H14B	0.2117	0.0472	0.1768	0.022*	0.931 (3)
C15B	0.1948 (2)	0.02809 (16)	0.22555 (9)	0.0188 (7)	0.931 (3)
H15B	0.1652	−0.0041	0.2216	0.023*	0.931 (3)
C16B	0.2114 (3)	0.04499 (16)	0.25857 (10)	0.0192 (8)	0.931 (3)
C17B	0.2520 (3)	0.09270 (17)	0.26423 (9)	0.0239 (8)	0.931 (3)
H17B	0.2622	0.1042	0.2865	0.029*	0.931 (3)
C18B	0.2779 (3)	0.12377 (16)	0.23750 (9)	0.0213 (8)	0.931 (3)
H18B	0.3049	0.1569	0.2414	0.026*	0.931 (3)
C19B	0.1876 (3)	0.01256 (16)	0.28819 (10)	0.0216 (8)	0.931 (3)
O1B	0.1398 (2)	−0.02932 (12)	0.28023 (7)	0.0228 (7)	0.931 (3)
O2B	0.2103 (2)	0.02194 (14)	0.31633 (7)	0.0338 (8)	0.931 (3)
C20B	0.1130 (3)	−0.0611 (2)	0.30872 (11)	0.0266 (11)	0.931 (3)
H20C	0.0884	−0.0376	0.3259	0.032*	0.931 (3)
H20D	0.1595	−0.0804	0.3189	0.032*	0.931 (3)
C21B	0.0516 (3)	−0.10048 (19)	0.29588 (11)	0.0308 (10)	0.931 (3)
H21D	0.0114	−0.0815	0.2822	0.046*	0.931 (3)
H21E	0.0243	−0.1178	0.3148	0.046*	0.931 (3)
H21F	0.0789	−0.1278	0.2823	0.046*	0.931 (3)
C13L	0.232 (3)	0.0907 (16)	0.1947 (8)	0.018 (3)	0.069 (3)
C14L	0.189 (3)	0.0485 (15)	0.1786 (7)	0.020 (3)	0.069 (3)
H14L	0.1897	0.0455	0.1550	0.023*	0.069 (3)
C15L	0.148 (3)	0.0121 (15)	0.1979 (6)	0.019 (3)	0.069 (3)
H15L	0.1173	−0.0153	0.1870	0.023*	0.069 (3)
C16L	0.148 (3)	0.0136 (14)	0.2333 (6)	0.021 (3)	0.069 (3)
C17L	0.187 (3)	0.0561 (17)	0.2486 (8)	0.021 (2)	0.069 (3)
H17L	0.1869	0.0589	0.2723	0.025*	0.069 (3)
C18L	0.225 (3)	0.0949 (15)	0.2292 (8)	0.020 (2)	0.069 (3)
H18L	0.2473	0.1256	0.2400	0.024*	0.069 (3)
C19L	0.108 (3)	−0.0289 (15)	0.2537 (6)	0.021 (3)	0.069 (3)
O1L	0.117 (3)	−0.0198 (16)	0.2867 (6)	0.022 (3)	0.069 (3)
O2L	0.061 (2)	−0.0608 (15)	0.2416 (8)	0.0338 (8)	0.069 (3)
C20L	0.087 (4)	−0.060 (2)	0.3098 (9)	0.024 (3)	0.069 (3)
H20X	0.1141	−0.0948	0.3059	0.029*	0.069 (3)
H20Y	0.0278	−0.0648	0.3071	0.029*	0.069 (3)
C21L	0.106 (3)	−0.039 (2)	0.3441 (8)	0.022 (7)	0.069 (3)
H217	0.0682	−0.0553	0.3602	0.034*	0.069 (3)
H218	0.1008	−0.0002	0.3445	0.034*	0.069 (3)
H219	0.1617	−0.0496	0.3501	0.034*	0.069 (3)
C1C	0.3271 (3)	0.1627 (2)	0.37328 (12)	0.0239 (10)	0.840 (3)
C2C	0.3955 (3)	0.15629 (19)	0.39307 (12)	0.0272 (9)	0.840 (3)
H2C	0.3950	0.1329	0.4118	0.033*	0.840 (3)
C3C	0.4649 (4)	0.1851 (2)	0.38465 (16)	0.0315 (12)	0.840 (3)
H3C	0.5123	0.1817	0.3980	0.038*	0.840 (3)
C4C	0.4655 (3)	0.21921 (19)	0.35663 (12)	0.0294 (10)	0.840 (3)
H4C	0.5132	0.2390	0.3515	0.035*	0.840 (3)
C5C	0.3981 (3)	0.22441 (18)	0.33647 (12)	0.0255 (9)	0.840 (3)
H5C	0.3992	0.2467	0.3172	0.031*	0.840 (3)
C6C	0.3273 (3)	0.19573 (19)	0.34532 (12)	0.0233 (10)	0.840 (3)
C7C	0.2469 (4)	0.1933 (3)	0.33043 (17)	0.0249 (11)	0.840 (3)
C8C	0.2117 (4)	0.2190 (3)	0.30299 (15)	0.0287 (13)	0.840 (3)
H8C	0.2426	0.2431	0.2897	0.034*	0.840 (3)
C9C	0.1315 (4)	0.2090 (3)	0.29540 (14)	0.0310 (13)	0.840 (3)
H9C	0.1072	0.2264	0.2767	0.037*	0.840 (3)
C10C	0.0856 (4)	0.1735 (3)	0.31504 (14)	0.0297 (13)	0.840 (3)
H10C	0.0308	0.1666	0.3090	0.036*	0.840 (3)
C11C	0.1175 (4)	0.1484 (3)	0.34251 (13)	0.0266 (13)	0.840 (3)
H11C	0.0853	0.1253	0.3560	0.032*	0.840 (3)
C12C	0.2001 (5)	0.1581 (4)	0.3503 (2)	0.0221 (12)	0.840 (3)
N1C	0.2489 (3)	0.1389 (2)	0.37618 (10)	0.0234 (9)	0.840 (3)
C13C	0.2230 (4)	0.10537 (19)	0.40250 (11)	0.0267 (10)	0.840 (3)
C14C	0.2433 (3)	0.11741 (18)	0.43550 (10)	0.0284 (10)	0.840 (3)
H14C	0.2734	0.1489	0.4406	0.034*	0.840 (3)
C15C	0.2191 (3)	0.08289 (18)	0.46090 (11)	0.0280 (10)	0.840 (3)
H15C	0.2320	0.0913	0.4835	0.034*	0.840 (3)
C16C	0.1762 (3)	0.03627 (19)	0.45366 (11)	0.0288 (10)	0.840 (3)
C17C	0.1533 (3)	0.02551 (18)	0.42083 (11)	0.0289 (10)	0.840 (3)
H17C	0.1208	−0.0050	0.4159	0.035*	0.840 (3)
C18C	0.1784 (4)	0.0598 (2)	0.39522 (12)	0.0305 (11)	0.840 (3)
H18C	0.1648	0.0517	0.3727	0.037*	0.840 (3)
C19C	0.1565 (3)	−0.0017 (2)	0.48167 (11)	0.0320 (10)	0.840 (3)
O1C	0.1165 (2)	−0.04511 (14)	0.47147 (9)	0.0363 (8)	0.840 (3)
O2C	0.1771 (3)	0.00589 (15)	0.50996 (8)	0.0447 (10)	0.840 (3)
C20C	0.0992 (4)	−0.0865 (2)	0.49630 (13)	0.0401 (12)	0.840 (3)
H20E	0.1439	−0.0878	0.5128	0.048*	0.840 (3)
H20F	0.0962	−0.1220	0.4851	0.048*	0.840 (3)
C21C	0.0229 (4)	−0.0760 (3)	0.51362 (14)	0.0478 (15)	0.840 (3)
H21G	0.0134	−0.1041	0.5303	0.072*	0.840 (3)
H21H	−0.0217	−0.0758	0.4974	0.072*	0.840 (3)
H21I	0.0258	−0.0409	0.5248	0.072*	0.840 (3)
C1M	0.3069 (12)	0.1509 (10)	0.3835 (5)	0.023 (2)	0.160 (3)
C2M	0.3642 (13)	0.1395 (9)	0.4078 (5)	0.025 (3)	0.160 (3)
H2M	0.3531	0.1155	0.4257	0.030*	0.160 (3)
C3M	0.4382 (14)	0.1647 (10)	0.4047 (6)	0.030 (3)	0.160 (3)
H3M	0.4770	0.1600	0.4220	0.036*	0.160 (3)
C4M	0.4596 (17)	0.1975 (13)	0.3770 (7)	0.027 (3)	0.160 (3)
H4M	0.5122	0.2130	0.3754	0.033*	0.160 (3)
C5M	0.4026 (12)	0.2064 (9)	0.3524 (6)	0.027 (2)	0.160 (3)
H5M	0.4152	0.2274	0.3332	0.032*	0.160 (3)
C6M	0.3245 (12)	0.1833 (11)	0.3563 (6)	0.024 (2)	0.160 (3)
C7M	0.2516 (17)	0.187 (2)	0.3360 (10)	0.024 (2)	0.160 (3)
C8M	0.2353 (18)	0.2155 (16)	0.3069 (8)	0.028 (3)	0.160 (3)
H8M	0.2753	0.2381	0.2973	0.033*	0.160 (3)
C9M	0.1607 (18)	0.2104 (15)	0.2923 (8)	0.029 (3)	0.160 (3)
H9M	0.1490	0.2282	0.2718	0.035*	0.160 (3)
C10M	0.1019 (18)	0.1785 (17)	0.3078 (8)	0.028 (3)	0.160 (3)
H10M	0.0481	0.1796	0.2992	0.034*	0.160 (3)
C11M	0.1176 (17)	0.1458 (16)	0.3347 (8)	0.024 (3)	0.160 (3)
H11M	0.0785	0.1208	0.3426	0.029*	0.160 (3)
C12M	0.195 (2)	0.151 (2)	0.3502 (11)	0.024 (2)	0.160 (3)
N1M	0.2258 (13)	0.1327 (10)	0.3809 (5)	0.023 (2)	0.160 (3)
C13M	0.1886 (18)	0.0963 (10)	0.4032 (4)	0.025 (2)	0.160 (3)
C14M	0.1922 (17)	0.1029 (8)	0.4379 (4)	0.028 (2)	0.160 (3)
H14M	0.2193	0.1329	0.4473	0.033*	0.160 (3)
C15M	0.1553 (17)	0.0647 (9)	0.4584 (5)	0.031 (2)	0.160 (3)
H15M	0.1591	0.0681	0.4820	0.037*	0.160 (3)
C16M	0.1128 (16)	0.0214 (8)	0.4445 (4)	0.031 (2)	0.160 (3)
C17M	0.1059 (17)	0.0159 (9)	0.4101 (4)	0.030 (3)	0.160 (3)
H17M	0.0732	−0.0115	0.4005	0.036*	0.160 (3)
C18M	0.149 (2)	0.0521 (10)	0.3900 (5)	0.028 (3)	0.160 (3)
H18M	0.1507	0.0462	0.3665	0.034*	0.160 (3)
C19M	0.0766 (17)	−0.0206 (9)	0.4670 (4)	0.032 (3)	0.160 (3)
O1M	0.1098 (12)	−0.0194 (7)	0.4966 (4)	0.035 (2)	0.160 (3)
O2M	0.0337 (12)	−0.0559 (7)	0.4559 (4)	0.036 (4)	0.160 (3)
C20M	0.0942 (16)	−0.0638 (9)	0.5189 (6)	0.032 (3)	0.160 (3)
H20Z	0.1380	−0.0662	0.5358	0.039*	0.160 (3)
H201	0.0935	−0.0978	0.5060	0.039*	0.160 (3)
C21M	0.0151 (18)	−0.0562 (14)	0.5358 (7)	0.056 (6)	0.160 (3)
H220	−0.0277	−0.0522	0.5190	0.084*	0.160 (3)
H221	0.0173	−0.0238	0.5498	0.084*	0.160 (3)
H222	0.0035	−0.0875	0.5499	0.084*	0.160 (3)
C1D	0.2249 (3)	0.15697 (16)	0.55133 (10)	0.0252 (8)
C2D	0.1490 (3)	0.15821 (18)	0.53636 (10)	0.0304 (9)
H2D	0.1046	0.1389	0.5455	0.037*
C3D	0.1400 (3)	0.18882 (18)	0.50737 (10)	0.0348 (11)
H3D	0.0886	0.1905	0.4967	0.042*
C4D	0.2052 (4)	0.21699 (18)	0.49376 (10)	0.0392 (12)
H4D	0.1973	0.2381	0.4742	0.047*
C5D	0.2816 (3)	0.21445 (18)	0.50845 (11)	0.0386 (11)
H5D	0.3262	0.2333	0.4990	0.046*
C6D	0.2916 (3)	0.18387 (17)	0.53718 (10)	0.0301 (9)
C7D	0.3603 (3)	0.17328 (16)	0.55909 (10)	0.0282 (9)
C8D	0.4435 (3)	0.18522 (19)	0.55745 (11)	0.0379 (11)
H8D	0.4643	0.2064	0.5396	0.045*
C9D	0.4948 (3)	0.1658 (2)	0.58198 (12)	0.0451 (13)
H9D	0.5515	0.1724	0.5804	0.054*
C10D	0.4645 (3)	0.13706 (19)	0.60869 (12)	0.0370 (11)
H10D	0.5008	0.1254	0.6257	0.044*
C11D	0.3820 (3)	0.12441 (16)	0.61162 (11)	0.0299 (9)
H11D	0.3614	0.1050	0.6302	0.036*
C12D	0.3320 (3)	0.14187 (15)	0.58582 (10)	0.0249 (8)
N1D	0.2485 (2)	0.13189 (13)	0.58113 (8)	0.0244 (7)
C13D	0.2002 (2)	0.09754 (15)	0.60095 (9)	0.0230 (8)
C14D	0.1590 (3)	0.05458 (16)	0.58579 (10)	0.0273 (9)
H14D	0.1622	0.0495	0.5623	0.033*
C15D	0.1138 (3)	0.01974 (16)	0.60524 (10)	0.0293 (9)
H15D	0.0855	−0.0091	0.5949	0.035*
C16D	0.1094 (3)	0.02660 (15)	0.63999 (10)	0.0255 (8)
C17D	0.1497 (3)	0.06954 (15)	0.65491 (9)	0.0246 (8)
H17D	0.1471	0.0744	0.6785	0.029*
C18D	0.1936 (2)	0.10513 (15)	0.63553 (9)	0.0240 (8)
H18D	0.2195	0.1350	0.6458	0.029*
C19D	0.0651 (3)	−0.01476 (17)	0.65983 (11)	0.0325 (10)
O1D	0.0743 (2)	−0.00737 (11)	0.69287 (7)	0.0327 (7)
O2D	0.0274 (2)	−0.05156 (13)	0.64741 (8)	0.0432 (8)
C20D	0.0388 (3)	−0.04841 (17)	0.71453 (12)	0.0389 (11)
H20G	0.0651	−0.0836	0.7105	0.047*
H20H	−0.0200	−0.0520	0.7100	0.047*
C21D	0.0526 (4)	−0.0307 (2)	0.74972 (13)	0.0557 (15)
H21J	0.0239	0.0032	0.7537	0.084*
H21K	0.1108	−0.0255	0.7535	0.084*
H21L	0.0321	−0.0583	0.7651	0.084*
C1E	0.3600 (2)	0.16142 (14)	0.77568 (9)	0.0184 (7)
C2E	0.4307 (2)	0.15061 (15)	0.79360 (9)	0.0206 (8)
H2E	0.4317	0.1241	0.8107	0.025*
C3E	0.4996 (3)	0.18000 (15)	0.78555 (9)	0.0248 (8)
H3E	0.5484	0.1739	0.7977	0.030*
C4E	0.4989 (3)	0.21849 (15)	0.75995 (10)	0.0253 (8)
H4E	0.5466	0.2386	0.7553	0.030*
C5E	0.4294 (3)	0.22743 (15)	0.74132 (10)	0.0247 (8)
H5E	0.4292	0.2528	0.7236	0.030*
C6E	0.3594 (2)	0.19832 (14)	0.74919 (9)	0.0188 (7)
C7E	0.2786 (3)	0.19742 (15)	0.73498 (9)	0.0206 (8)
C8E	0.2428 (3)	0.22607 (16)	0.70896 (9)	0.0270 (9)
H8E	0.2739	0.2503	0.6958	0.032*
C9E	0.1612 (3)	0.21858 (18)	0.70271 (10)	0.0330 (10)
H9E	0.1359	0.2377	0.6850	0.040*
C10E	0.1154 (3)	0.18314 (18)	0.72220 (11)	0.0342 (10)
H10E	0.0592	0.1790	0.7176	0.041*
C11E	0.1502 (3)	0.15377 (16)	0.74808 (10)	0.0267 (9)
H11E	0.1187	0.1298	0.7613	0.032*
C12E	0.2332 (2)	0.16070 (14)	0.75403 (8)	0.0194 (8)
N1E	0.2831 (2)	0.13867 (11)	0.77854 (7)	0.0175 (6)
C13E	0.2568 (2)	0.10563 (14)	0.80572 (8)	0.0180 (7)
C14E	0.2789 (2)	0.11928 (14)	0.83820 (9)	0.0197 (8)
H14E	0.3092	0.1511	0.8422	0.024*
C15E	0.2570 (2)	0.08670 (14)	0.86450 (9)	0.0215 (8)
H15E	0.2736	0.0955	0.8866	0.026*
C16E	0.2106 (2)	0.04096 (14)	0.85874 (9)	0.0192 (7)
C17E	0.1863 (2)	0.02792 (14)	0.82635 (9)	0.0194 (7)
H17E	0.1531	−0.0027	0.8225	0.023*
C18E	0.2107 (2)	0.05980 (14)	0.79977 (9)	0.0189 (7)
H18E	0.1960	0.0504	0.7776	0.023*
C19E	0.1912 (2)	0.00669 (14)	0.88824 (9)	0.0190 (7)
O1E	0.13631 (17)	−0.03190 (10)	0.88142 (6)	0.0234 (6)
O2E	0.21996 (18)	0.01300 (11)	0.91570 (6)	0.0258 (6)
C20E	0.1117 (3)	−0.06400 (16)	0.91006 (9)	0.0251 (8)
H20I	0.0900	−0.0405	0.9279	0.030*
H20J	0.1588	−0.0840	0.9191	0.030*
C21E	0.0477 (3)	−0.10245 (17)	0.89850 (10)	0.0283 (9)
H21M	0.0247	−0.1212	0.9179	0.042*
H21N	0.0719	−0.1287	0.8832	0.042*
H21O	0.0048	−0.0826	0.8869	0.042*
C1F	0.8654 (2)	0.15946 (14)	0.02383 (9)	0.0179 (7)
C2F	0.9358 (2)	0.14582 (15)	0.00650 (9)	0.0221 (8)
H2F	0.9359	0.1187	−0.0102	0.027*
C3F	1.0058 (2)	0.17387 (16)	0.01498 (9)	0.0236 (8)
H3F	1.0550	0.1659	0.0036	0.028*
C4F	1.0058 (3)	0.21361 (16)	0.03981 (9)	0.0242 (9)
H4F	1.0545	0.2325	0.0446	0.029*
C5F	0.9362 (3)	0.22579 (15)	0.05741 (9)	0.0224 (8)
H5F	0.9369	0.2525	0.0744	0.027*
C6F	0.8646 (2)	0.19804 (14)	0.04971 (9)	0.0193 (8)
C7F	0.7838 (2)	0.20006 (15)	0.06277 (9)	0.0210 (8)
C8F	0.7467 (3)	0.23130 (17)	0.08745 (10)	0.0280 (9)
H8F	0.7776	0.2560	0.1003	0.034*
C9F	0.6641 (3)	0.22570 (18)	0.09281 (10)	0.0342 (10)
H9F	0.6382	0.2468	0.1095	0.041*
C10F	0.6186 (3)	0.18924 (18)	0.07394 (11)	0.0330 (10)
H10F	0.5620	0.1861	0.0781	0.040*
C11F	0.6536 (3)	0.15745 (16)	0.04928 (10)	0.0275 (9)
H11F	0.6222	0.1329	0.0365	0.033*
C12F	0.7369 (3)	0.16312 (15)	0.04405 (9)	0.0211 (8)
N1F	0.78663 (19)	0.13791 (12)	0.02054 (8)	0.0198 (7)
C13F	0.7605 (2)	0.10527 (14)	−0.00664 (9)	0.0201 (8)
C14F	0.7806 (2)	0.11922 (15)	−0.03904 (9)	0.0212 (8)
H14F	0.8108	0.1510	−0.0432	0.025*
C15F	0.7567 (2)	0.08704 (14)	−0.06534 (9)	0.0211 (8)
H15F	0.7711	0.0965	−0.0876	0.025*
C16F	0.7117 (2)	0.04068 (14)	−0.05938 (9)	0.0179 (7)
C17F	0.6896 (2)	0.02749 (14)	−0.02683 (9)	0.0196 (7)
H17F	0.6569	−0.0032	−0.0228	0.023*
C18F	0.7155 (2)	0.05928 (15)	−0.00012 (9)	0.0211 (8)
H18F	0.7026	0.0496	0.0222	0.025*
C19F	0.6899 (2)	0.00649 (14)	−0.08871 (9)	0.0192 (7)
O1F	0.63588 (17)	−0.03172 (10)	−0.08121 (6)	0.0226 (6)
O2F	0.71731 (19)	0.01312 (12)	−0.11645 (6)	0.0291 (7)
C20F	0.6087 (3)	−0.06368 (16)	−0.10930 (10)	0.0254 (9)
H20L	0.6549	−0.0838	−0.1191	0.030*
H20M	0.5853	−0.0402	−0.1268	0.030*
C21F	0.5456 (3)	−0.10207 (16)	−0.09644 (10)	0.0277 (9)
H21P	0.5208	−0.1212	−0.1153	0.042*
H21Q	0.5037	−0.0820	−0.0843	0.042*
H21R	0.5711	−0.1281	−0.0813	0.042*
C1G	0.8215 (3)	0.14002 (14)	0.21528 (9)	0.0238 (9)
C2G	0.8761 (3)	0.12702 (17)	0.18989 (10)	0.0282 (9)
H2G	0.8607	0.1047	0.1717	0.034*
C3G	0.9536 (3)	0.1481 (2)	0.19244 (12)	0.0418 (12)
H3G	0.9917	0.1405	0.1753	0.050*
C4G	0.9777 (3)	0.1802 (2)	0.21950 (11)	0.0425 (13)
H4G	1.0316	0.1936	0.2205	0.051*
C5G	0.9244 (3)	0.19239 (18)	0.24446 (11)	0.0384 (12)
H5G	0.9409	0.2143	0.2627	0.046*
C6G	0.8451 (3)	0.17220 (15)	0.24296 (10)	0.0276 (10)
C7G	0.7756 (3)	0.17796 (15)	0.26384 (9)	0.0271 (9)
C8G	0.7594 (4)	0.20833 (15)	0.29266 (10)	0.0373 (12)
H8G	0.8004	0.2302	0.3024	0.045*
C9G	0.6833 (4)	0.20595 (17)	0.30664 (11)	0.0413 (13)
H9G	0.6720	0.2264	0.3262	0.050*
C10G	0.6219 (3)	0.17382 (17)	0.29257 (10)	0.0359 (11)
H10G	0.5702	0.1727	0.3030	0.043*
C11G	0.6349 (3)	0.14374 (16)	0.26393 (9)	0.0291 (9)
H11G	0.5934	0.1220	0.2545	0.035*
C12G	0.7124 (3)	0.14686 (14)	0.24951 (9)	0.0244 (9)
N1G	0.7409 (2)	0.12425 (13)	0.21972 (8)	0.0227 (7)
C13G	0.6959 (2)	0.09047 (14)	0.19778 (9)	0.0192 (8)
C14G	0.6947 (2)	0.10079 (15)	0.16347 (9)	0.0201 (8)
H14G	0.7227	0.1311	0.1547	0.024*
C15G	0.6527 (2)	0.06670 (15)	0.14220 (9)	0.0199 (8)
H15G	0.6520	0.0735	0.1188	0.024*
C16G	0.6110 (2)	0.02210 (14)	0.15524 (9)	0.0192 (7)
C17G	0.6107 (2)	0.01364 (15)	0.18964 (9)	0.0210 (8)
H17G	0.5803	−0.0154	0.1987	0.025*
C18G	0.6540 (2)	0.04693 (14)	0.21092 (9)	0.0197 (7)
H18G	0.6549	0.0400	0.2343	0.024*
C19G	0.5684 (2)	−0.01742 (14)	0.13386 (9)	0.0200 (8)
O1G	0.57791 (18)	−0.00830 (11)	0.10114 (6)	0.0242 (6)
O2G	0.53060 (18)	−0.05552 (11)	0.14441 (7)	0.0271 (6)
C20G	0.5418 (3)	−0.04755 (17)	0.07876 (10)	0.0282 (9)
H20N	0.4829	−0.0506	0.0831	0.034*
H20O	0.5670	−0.0833	0.0822	0.034*
C21G	0.5565 (4)	−0.0285 (2)	0.04395 (11)	0.0480 (14)
H21S	0.5357	−0.0551	0.0280	0.072*
H21T	0.6149	−0.0236	0.0404	0.072*
H21U	0.5286	0.0059	0.0405	0.072*
C1H	0.8509 (3)	0.16183 (15)	0.42487 (9)	0.0244 (9)
C2H	0.9233 (3)	0.15717 (16)	0.40694 (10)	0.0290 (9)
H2H	0.9278	0.1331	0.3886	0.035*
C3H	0.9880 (3)	0.18860 (17)	0.41675 (10)	0.0331 (10)
H3H	1.0378	0.1865	0.4049	0.040*
C4H	0.9811 (3)	0.22376 (17)	0.44418 (10)	0.0326 (10)
H4H	1.0258	0.2461	0.4499	0.039*
C5H	0.9111 (3)	0.22649 (15)	0.46286 (10)	0.0283 (9)
H5H	0.9084	0.2492	0.4819	0.034*
C6H	0.8441 (3)	0.19557 (15)	0.45359 (9)	0.0246 (9)
C7H	0.7632 (3)	0.19032 (15)	0.46678 (9)	0.0251 (9)
C8H	0.7220 (3)	0.21329 (18)	0.49373 (10)	0.0344 (10)
H8H	0.7493	0.2373	0.5084	0.041*
C9H	0.6416 (3)	0.2009 (2)	0.49898 (12)	0.0439 (12)
H9H	0.6132	0.2168	0.5171	0.053*
C10H	0.6014 (3)	0.1648 (2)	0.47752 (11)	0.0421 (11)
H10H	0.5460	0.1565	0.4815	0.051*
C11H	0.6408 (3)	0.14128 (18)	0.45085 (11)	0.0342 (10)
H11H	0.6129	0.1173	0.4364	0.041*
C12H	0.7226 (3)	0.15345 (16)	0.44554 (10)	0.0264 (9)
N1H	0.7758 (2)	0.13622 (13)	0.42034 (7)	0.0239 (7)
C13H	0.7555 (3)	0.10204 (14)	0.39326 (9)	0.0235 (8)
C14H	0.7786 (3)	0.11628 (15)	0.36073 (9)	0.0260 (9)
H14H	0.8074	0.1488	0.3569	0.031*
C15H	0.7593 (3)	0.08286 (15)	0.33433 (9)	0.0241 (8)
H15H	0.7761	0.0920	0.3123	0.029*
C16H	0.7157 (3)	0.03614 (15)	0.33965 (9)	0.0241 (8)
C17H	0.6902 (3)	0.02302 (15)	0.37195 (9)	0.0257 (8)
H17H	0.6578	−0.0080	0.3755	0.031*
C18H	0.7122 (3)	0.05519 (15)	0.39874 (10)	0.0272 (9)
H18H	0.6977	0.0451	0.4209	0.033*
C19H	0.6964 (3)	0.00225 (15)	0.31004 (10)	0.0257 (9)
O1H	0.64159 (18)	−0.03612 (11)	0.31668 (7)	0.0289 (6)
O2H	0.7270 (2)	0.00853 (12)	0.28265 (7)	0.0328 (7)
C20H	0.6141 (3)	−0.06633 (17)	0.28777 (10)	0.0305 (9)
H20P	0.6587	−0.0889	0.2790	0.037*
H20Q	0.5963	−0.0415	0.2699	0.037*
C21H	0.5449 (3)	−0.10088 (17)	0.29875 (11)	0.0325 (10)
H21V	0.5220	−0.1196	0.2793	0.049*
H21W	0.5030	−0.0784	0.3091	0.049*
H21X	0.5642	−0.1273	0.3151	0.049*
C1I	0.7323 (3)	0.1594 (2)	0.65287 (10)	0.0189 (9)	0.865 (3)
C2I	0.6548 (3)	0.1570 (2)	0.66630 (13)	0.0241 (10)	0.865 (3)
H2I	0.6149	0.1337	0.6571	0.029*	0.865 (3)
C3I	0.6374 (3)	0.1895 (2)	0.69339 (12)	0.0251 (10)	0.865 (3)
H3I	0.5844	0.1889	0.7027	0.030*	0.865 (3)
C4I	0.6964 (3)	0.2231 (2)	0.70727 (13)	0.0275 (12)	0.865 (3)
H4I	0.6832	0.2446	0.7261	0.033*	0.865 (3)
C5I	0.7730 (4)	0.2255 (3)	0.69414 (14)	0.0247 (13)	0.865 (3)
H5I	0.8125	0.2486	0.7038	0.030*	0.865 (3)
C6I	0.7926 (4)	0.1941 (6)	0.6665 (2)	0.0207 (12)	0.865 (3)
C7I	0.8644 (4)	0.1859 (3)	0.64734 (19)	0.0262 (13)	0.865 (3)
C8I	0.9435 (3)	0.2075 (4)	0.64878 (15)	0.0333 (12)	0.865 (3)
H8I	0.9565	0.2357	0.6639	0.040*	0.865 (3)
C9I	1.0013 (3)	0.1866 (2)	0.62752 (14)	0.0340 (11)	0.865 (3)
H9I	1.0554	0.1996	0.6287	0.041*	0.865 (3)
C10I	0.9822 (4)	0.1471 (2)	0.60463 (14)	0.0355 (12)	0.865 (3)
H10I	1.0240	0.1335	0.5906	0.043*	0.865 (3)
C11I	0.9040 (4)	0.12612 (19)	0.60109 (13)	0.0314 (10)	0.865 (3)
H11I	0.8912	0.0996	0.5848	0.038*	0.865 (3)
C12I	0.8456 (4)	0.14684 (19)	0.62312 (12)	0.0283 (11)	0.865 (3)
N1I	0.7659 (3)	0.13130 (15)	0.62629 (10)	0.0241 (8)	0.865 (3)
C13I	0.7215 (3)	0.09391 (19)	0.60509 (11)	0.0297 (10)	0.865 (3)
C14I	0.6835 (3)	0.04966 (19)	0.62016 (11)	0.0301 (10)	0.865 (3)
H14I	0.6863	0.0444	0.6437	0.036*	0.865 (3)
C15I	0.6418 (3)	0.0137 (2)	0.59993 (11)	0.0320 (10)	0.865 (3)
H15I	0.6150	−0.0163	0.6097	0.038*	0.865 (3)
C16I	0.6390 (3)	0.02132 (17)	0.56553 (11)	0.0288 (10)	0.865 (3)
C17I	0.6765 (3)	0.06564 (19)	0.55125 (12)	0.0306 (10)	0.865 (3)
H17I	0.6742	0.0708	0.5277	0.037*	0.865 (3)
C18I	0.7172 (3)	0.10231 (18)	0.57092 (12)	0.0287 (10)	0.865 (3)
H18I	0.7420	0.1330	0.5611	0.034*	0.865 (3)
C19I	0.5972 (3)	−0.02025 (18)	0.54446 (11)	0.0311 (10)	0.865 (3)
O1I	0.6103 (3)	−0.01257 (14)	0.51208 (9)	0.0358 (9)	0.865 (3)
O2I	0.5576 (2)	−0.05772 (13)	0.55584 (8)	0.0360 (9)	0.865 (3)
C20I	0.5749 (5)	−0.0535 (2)	0.48957 (15)	0.0389 (13)	0.865 (3)
H20R	0.5155	−0.0560	0.4927	0.047*	0.865 (3)
H20S	0.5993	−0.0892	0.4937	0.047*	0.865 (3)
C21I	0.5948 (4)	−0.0341 (2)	0.45505 (12)	0.0394 (13)	0.865 (3)
H21Y	0.5654	−0.0558	0.4386	0.059*	0.865 (3)
H21Z	0.6533	−0.0374	0.4512	0.059*	0.865 (3)
H210	0.5787	0.0037	0.4528	0.059*	0.865 (3)
C1N	0.7422 (16)	0.1599 (16)	0.6441 (7)	0.022 (2)	0.135 (3)
C2N	0.6642 (16)	0.1541 (15)	0.6549 (7)	0.022 (3)	0.135 (3)
H2N	0.6293	0.1297	0.6437	0.026*	0.135 (3)
C3N	0.6351 (18)	0.1828 (15)	0.6817 (7)	0.024 (3)	0.135 (3)
H3N	0.5806	0.1770	0.6886	0.029*	0.135 (3)
C4N	0.6819 (19)	0.2199 (17)	0.6991 (8)	0.025 (3)	0.135 (3)
H4N	0.6600	0.2403	0.7170	0.029*	0.135 (3)
C5N	0.762 (2)	0.226 (2)	0.6892 (11)	0.025 (3)	0.135 (3)
H5N	0.7955	0.2514	0.7001	0.030*	0.135 (3)
C6N	0.793 (2)	0.195 (4)	0.6631 (18)	0.023 (2)	0.135 (3)
C7N	0.8694 (17)	0.193 (3)	0.6460 (13)	0.027 (2)	0.135 (3)
C8N	0.9453 (17)	0.215 (2)	0.6561 (11)	0.031 (3)	0.135 (3)
H8N	0.9488	0.2329	0.6768	0.037*	0.135 (3)
C9N	1.0151 (16)	0.2097 (13)	0.6366 (7)	0.030 (3)	0.135 (3)
H9N	1.0628	0.2305	0.6399	0.036*	0.135 (3)
C10N	1.0068 (16)	0.1705 (13)	0.6114 (8)	0.026 (3)	0.135 (3)
H10N	1.0539	0.1608	0.5991	0.032*	0.135 (3)
C11N	0.9338 (16)	0.1449 (13)	0.6032 (7)	0.030 (2)	0.135 (3)
H11N	0.9348	0.1176	0.5865	0.036*	0.135 (3)
C12N	0.8584 (13)	0.1574 (15)	0.6184 (8)	0.030 (2)	0.135 (3)
N1N	0.7767 (13)	0.1417 (10)	0.6145 (5)	0.030 (2)	0.135 (3)
C13N	0.7199 (15)	0.1196 (9)	0.5838 (5)	0.034 (2)	0.135 (3)
C14N	0.7178 (19)	0.0647 (9)	0.6000 (5)	0.028 (2)	0.135 (3)
H14N	0.7303	0.0561	0.6226	0.033*	0.135 (3)
C15N	0.693 (2)	0.0290 (9)	0.5745 (5)	0.029 (2)	0.135 (3)
H15N	0.6720	−0.0057	0.5793	0.034*	0.135 (3)
C16N	0.702 (2)	0.0479 (9)	0.5421 (5)	0.028 (2)	0.135 (3)
C17N	0.7453 (18)	0.0943 (9)	0.5338 (5)	0.028 (3)	0.135 (3)
H17N	0.7536	0.1037	0.5111	0.034*	0.135 (3)
C18N	0.7759 (17)	0.1262 (10)	0.5590 (5)	0.031 (3)	0.135 (3)
H18N	0.8238	0.1475	0.5591	0.037*	0.135 (3)
C19N	0.6827 (19)	0.0127 (10)	0.5128 (5)	0.033 (3)	0.135 (3)
O1N	0.6337 (17)	−0.0287 (9)	0.5201 (6)	0.036 (3)	0.135 (3)
O2N	0.6994 (17)	0.0232 (10)	0.4839 (4)	0.051 (6)	0.135 (3)
C20N	0.574 (3)	−0.0384 (11)	0.4927 (11)	0.040 (3)	0.135 (3)
H202	0.5241	−0.0162	0.4949	0.048*	0.135 (3)
H203	0.5974	−0.0339	0.4701	0.048*	0.135 (3)
C21N	0.5605 (16)	−0.0948 (8)	0.5016 (5)	0.044 (6)	0.135 (3)
H223	0.5202	−0.1106	0.4865	0.067*	0.135 (3)
H224	0.5408	−0.0970	0.5247	0.067*	0.135 (3)
H225	0.6117	−0.1146	0.4997	0.067*	0.135 (3)
C1J	0.8066 (2)	0.15101 (15)	0.81822 (10)	0.0229 (8)
C2J	0.8636 (3)	0.13974 (18)	0.79332 (11)	0.0326 (10)
H2J	0.8512	0.1169	0.7749	0.039*
C3J	0.9385 (3)	0.1634 (2)	0.79680 (12)	0.0385 (11)
H3J	0.9784	0.1565	0.7802	0.046*
C4J	0.9584 (3)	0.19648 (19)	0.82323 (12)	0.0376 (11)
H4J	1.0111	0.2118	0.8243	0.045*
C5J	0.9021 (3)	0.20789 (17)	0.84853 (11)	0.0341 (10)
H5J	0.9157	0.2305	0.8668	0.041*
C6J	0.8246 (3)	0.18446 (16)	0.84578 (10)	0.0277 (9)
C7J	0.7532 (3)	0.18801 (15)	0.86660 (9)	0.0236 (8)
C8J	0.7344 (3)	0.21609 (16)	0.89536 (10)	0.0309 (10)
H8J	0.7735	0.2388	0.9056	0.037*
C9J	0.6581 (3)	0.21075 (16)	0.90904 (10)	0.0329 (10)
H9J	0.6445	0.2300	0.9288	0.039*
C10J	0.6004 (3)	0.17697 (17)	0.89392 (10)	0.0289 (9)
H10J	0.5482	0.1736	0.9038	0.035*
C11J	0.6173 (2)	0.14843 (15)	0.86496 (9)	0.0219 (8)
H11J	0.5779	0.1257	0.8548	0.026*
C12J	0.6944 (3)	0.15449 (14)	0.85138 (9)	0.0200 (8)
N1J	0.7268 (2)	0.13278 (12)	0.82191 (8)	0.0207 (7)
C13J	0.6855 (3)	0.09674 (16)	0.79983 (10)	0.0166 (9)	0.911 (3)
C14J	0.6894 (3)	0.10336 (18)	0.76510 (11)	0.0192 (8)	0.911 (3)
H14J	0.7172	0.1335	0.7561	0.023*	0.911 (3)
C15J	0.6538 (3)	0.06711 (18)	0.74380 (9)	0.0175 (8)	0.911 (3)
H15J	0.6587	0.0718	0.7203	0.021*	0.911 (3)
C16J	0.6110 (3)	0.02404 (15)	0.75627 (9)	0.0165 (8)	0.911 (3)
C17J	0.6041 (3)	0.01748 (15)	0.79138 (10)	0.0169 (8)	0.911 (3)
H17J	0.5725	−0.0110	0.8003	0.020*	0.911 (3)
C18J	0.6442 (3)	0.05312 (19)	0.81281 (9)	0.0165 (8)	0.911 (3)
H18J	0.6430	0.0474	0.8363	0.020*	0.911 (3)
C19J	0.5739 (3)	−0.01836 (17)	0.73457 (9)	0.0224 (8)	0.911 (3)
O1J	0.6017 (2)	−0.01522 (15)	0.70281 (8)	0.0374 (9)	0.911 (3)
O2J	0.5291 (2)	−0.05328 (12)	0.74440 (7)	0.0260 (7)	0.911 (3)
C20J	0.5832 (4)	−0.0614 (2)	0.68122 (12)	0.0392 (11)	0.911 (3)
H20T	0.5821	−0.0948	0.6947	0.047*	0.911 (3)
H20U	0.6257	−0.0653	0.6639	0.047*	0.911 (3)
C21J	0.5027 (4)	−0.0532 (2)	0.66491 (15)	0.0485 (14)	0.911 (3)
H211	0.4599	−0.0540	0.6819	0.073*	0.911 (3)
H212	0.4932	−0.0818	0.6485	0.073*	0.911 (3)
H213	0.5021	−0.0183	0.6536	0.073*	0.911 (3)
C13O	0.704 (3)	0.0891 (13)	0.7938 (7)	0.019 (3)	0.089 (3)
C14O	0.705 (3)	0.1182 (15)	0.7640 (9)	0.018 (3)	0.089 (3)
H14O	0.7302	0.1520	0.7608	0.022*	0.089 (3)
C15O	0.662 (3)	0.0903 (13)	0.7397 (7)	0.021 (3)	0.089 (3)
H15O	0.6436	0.1073	0.7198	0.026*	0.089 (3)
C16O	0.648 (2)	0.0364 (12)	0.7459 (6)	0.020 (2)	0.089 (3)
C17O	0.616 (2)	0.0216 (14)	0.7776 (7)	0.018 (2)	0.089 (3)
H17O	0.5788	−0.0070	0.7806	0.022*	0.089 (3)
C18O	0.646 (4)	0.054 (2)	0.8042 (7)	0.019 (3)	0.089 (3)
H18O	0.6270	0.0512	0.8267	0.022*	0.089 (3)
C19O	0.6362 (18)	0.0039 (13)	0.7149 (6)	0.027 (2)	0.089 (3)
O1O	0.5555 (17)	0.0015 (13)	0.7053 (7)	0.033 (3)	0.089 (3)
O2O	0.674 (2)	0.0142 (15)	0.6893 (7)	0.045 (6)	0.089 (3)
C20O	0.534 (3)	−0.0393 (16)	0.6806 (7)	0.031 (3)	0.089 (3)
H204	0.4755	−0.0466	0.6824	0.037*	0.089 (3)
H205	0.5633	−0.0729	0.6865	0.037*	0.089 (3)
C21O	0.553 (3)	−0.0256 (18)	0.6449 (7)	0.027 (6)	0.089 (3)
H226	0.6123	−0.0216	0.6422	0.041*	0.089 (3)
H227	0.5265	0.0081	0.6388	0.041*	0.089 (3)
H228	0.5340	−0.0545	0.6303	0.041*	0.089 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1A	0.027 (2)	0.0224 (19)	0.026 (2)	−0.0060 (16)	0.0017 (16)	−0.0072 (15)
C2A	0.027 (2)	0.029 (2)	0.030 (2)	−0.0050 (17)	−0.0024 (17)	−0.0070 (17)
C3A	0.022 (2)	0.048 (3)	0.045 (3)	−0.0066 (19)	−0.0043 (19)	−0.016 (2)
C4A	0.032 (3)	0.048 (3)	0.054 (3)	−0.016 (2)	0.016 (2)	−0.016 (2)
C5A	0.041 (3)	0.029 (2)	0.038 (2)	−0.017 (2)	0.013 (2)	−0.0128 (18)
C6A	0.033 (2)	0.0208 (19)	0.029 (2)	−0.0087 (16)	0.0076 (17)	−0.0059 (16)
C7A	0.040 (2)	0.0134 (18)	0.0250 (19)	−0.0060 (16)	0.0065 (17)	−0.0056 (14)
C8A	0.057 (3)	0.021 (2)	0.0217 (19)	−0.0041 (19)	0.014 (2)	−0.0019 (15)
C9A	0.058 (3)	0.0183 (19)	0.023 (2)	0.0017 (19)	0.007 (2)	0.0042 (15)
C10A	0.048 (3)	0.024 (2)	0.0187 (18)	0.0072 (18)	−0.0006 (18)	−0.0005 (15)
C11A	0.035 (2)	0.0200 (19)	0.0210 (18)	0.0014 (16)	−0.0051 (17)	0.0011 (14)
C12A	0.030 (2)	0.0143 (17)	0.0178 (17)	−0.0044 (14)	0.0011 (15)	−0.0012 (13)
N1A	0.0250 (17)	0.0186 (15)	0.0187 (15)	−0.0057 (13)	−0.0021 (13)	0.0000 (12)
C13A	0.0210 (18)	0.0134 (16)	0.0193 (17)	0.0008 (14)	−0.0044 (14)	0.0012 (13)
C14A	0.0235 (19)	0.0138 (17)	0.0202 (17)	0.0013 (14)	−0.0051 (15)	−0.0025 (13)
C15A	0.0237 (19)	0.0228 (19)	0.0133 (16)	0.0022 (15)	−0.0075 (14)	−0.0019 (14)
C16A	0.0176 (17)	0.0160 (17)	0.0174 (17)	0.0022 (13)	−0.0032 (14)	0.0010 (13)
C17A	0.0210 (18)	0.0175 (18)	0.0166 (17)	−0.0029 (14)	−0.0070 (14)	−0.0006 (13)
C18A	0.0262 (19)	0.0214 (18)	0.0094 (15)	−0.0003 (15)	−0.0053 (14)	−0.0001 (13)
C19A	0.0236 (19)	0.0193 (18)	0.0172 (17)	0.0003 (15)	−0.0047 (15)	−0.0008 (14)
O1A	0.0412 (17)	0.0227 (14)	0.0129 (12)	−0.0088 (12)	−0.0066 (11)	0.0047 (10)
O2A	0.0353 (17)	0.0280 (15)	0.0203 (13)	−0.0107 (13)	−0.0032 (12)	−0.0008 (11)
C20A	0.029 (2)	0.021 (2)	0.0212 (19)	−0.0027 (17)	−0.0001 (18)	0.0068 (16)
C21A	0.088 (5)	0.043 (3)	0.020 (3)	−0.016 (4)	−0.012 (3)	0.012 (2)
C20K	0.029 (2)	0.021 (2)	0.0212 (19)	−0.0027 (17)	−0.0001 (18)	0.0068 (16)
C21K	0.055 (15)	0.035 (14)	0.032 (14)	−0.019 (14)	−0.007 (14)	0.021 (14)
C1B	0.030 (2)	0.0154 (17)	0.0157 (16)	−0.0012 (15)	−0.0059 (15)	−0.0032 (13)
C2B	0.027 (2)	0.024 (2)	0.031 (2)	−0.0084 (16)	−0.0080 (17)	−0.0009 (16)
C3B	0.037 (2)	0.025 (2)	0.047 (3)	−0.0049 (18)	−0.026 (2)	−0.0012 (18)
C4B	0.057 (3)	0.027 (2)	0.031 (2)	−0.011 (2)	−0.030 (2)	0.0090 (17)
C5B	0.051 (3)	0.0164 (18)	0.0202 (18)	−0.0122 (17)	−0.0135 (18)	0.0042 (14)
C6B	0.033 (2)	0.0143 (17)	0.0156 (17)	−0.0050 (15)	−0.0079 (15)	−0.0025 (13)
C7B	0.028 (2)	0.0181 (17)	0.0107 (15)	−0.0031 (14)	−0.0032 (14)	−0.0050 (13)
C8B	0.033 (2)	0.0228 (19)	0.0180 (17)	−0.0095 (16)	−0.0013 (15)	−0.0061 (14)
C9B	0.033 (2)	0.032 (2)	0.025 (2)	−0.0081 (17)	0.0024 (17)	−0.0153 (17)
C10B	0.028 (2)	0.027 (2)	0.0224 (19)	0.0000 (16)	−0.0004 (16)	−0.0109 (16)
C11B	0.031 (2)	0.0175 (18)	0.0158 (17)	0.0041 (15)	−0.0026 (15)	−0.0028 (13)
C12B	0.0237 (19)	0.0195 (18)	0.0123 (15)	0.0023 (14)	−0.0014 (14)	−0.0054 (13)
N1B	0.0255 (17)	0.0173 (15)	0.0131 (13)	−0.0022 (12)	0.0010 (12)	0.0015 (11)
C13B	0.0149 (17)	0.0158 (17)	0.0094 (15)	−0.0006 (13)	−0.0028 (13)	−0.0008 (12)
C14B	0.0236 (18)	0.0171 (18)	0.0140 (16)	−0.0004 (15)	−0.0021 (14)	−0.0013 (13)
C15B	0.0208 (18)	0.0184 (17)	0.0172 (16)	−0.0027 (14)	−0.0034 (14)	0.0000 (13)
C16B	0.0206 (18)	0.0218 (18)	0.0151 (17)	0.0006 (14)	0.0009 (14)	0.0004 (14)
C17B	0.029 (2)	0.029 (2)	0.0129 (16)	−0.0034 (17)	0.0038 (15)	−0.0030 (14)
C18B	0.029 (2)	0.0170 (18)	0.0176 (17)	−0.0061 (15)	0.0023 (15)	−0.0036 (14)
C19B	0.0227 (19)	0.0247 (19)	0.0174 (17)	−0.0006 (15)	0.0026 (14)	−0.0003 (14)
O1B	0.0264 (17)	0.0248 (16)	0.0173 (13)	−0.0046 (13)	−0.0030 (12)	0.0068 (11)
O2B	0.0399 (19)	0.046 (2)	0.0149 (14)	−0.0121 (15)	0.0026 (13)	−0.0007 (13)
C20B	0.030 (3)	0.029 (2)	0.0209 (19)	−0.004 (2)	−0.0016 (18)	0.0093 (16)
C21B	0.033 (2)	0.030 (2)	0.029 (2)	−0.0060 (19)	−0.0044 (19)	0.0112 (18)
C13L	0.023 (5)	0.017 (5)	0.014 (5)	−0.002 (5)	0.000 (5)	−0.004 (5)
C14L	0.024 (6)	0.019 (5)	0.015 (5)	−0.001 (5)	−0.001 (5)	−0.005 (5)
C15L	0.024 (5)	0.019 (5)	0.016 (5)	−0.002 (5)	−0.002 (5)	−0.004 (5)
C16L	0.024 (5)	0.023 (5)	0.016 (5)	−0.001 (5)	0.000 (5)	−0.003 (5)
C17L	0.024 (4)	0.023 (4)	0.016 (4)	−0.003 (4)	0.000 (4)	−0.001 (4)
C18L	0.024 (4)	0.021 (4)	0.015 (4)	−0.002 (4)	−0.001 (4)	−0.002 (4)
C19L	0.023 (6)	0.025 (6)	0.015 (6)	−0.004 (6)	0.000 (6)	−0.001 (6)
O1L	0.024 (5)	0.024 (5)	0.019 (5)	−0.004 (5)	−0.003 (5)	0.003 (5)
O2L	0.0399 (19)	0.046 (2)	0.0149 (14)	−0.0121 (15)	0.0026 (13)	−0.0007 (13)
C20L	0.026 (6)	0.026 (6)	0.020 (6)	−0.004 (6)	−0.004 (6)	0.008 (6)
C21L	0.025 (11)	0.024 (11)	0.018 (11)	−0.007 (10)	−0.011 (10)	0.015 (10)
C1C	0.040 (2)	0.015 (2)	0.017 (2)	−0.0031 (17)	0.0059 (18)	−0.0047 (16)
C2C	0.040 (3)	0.020 (2)	0.021 (2)	−0.0022 (18)	0.0004 (19)	−0.0016 (16)
C3C	0.041 (3)	0.024 (3)	0.030 (3)	0.001 (2)	−0.003 (2)	−0.002 (2)
C4C	0.039 (3)	0.020 (2)	0.030 (2)	−0.0035 (18)	0.001 (2)	−0.0019 (18)
C5C	0.041 (2)	0.014 (2)	0.021 (2)	−0.0043 (18)	0.0053 (19)	0.0023 (16)
C6C	0.038 (2)	0.013 (2)	0.018 (2)	−0.0044 (17)	0.0060 (18)	−0.0048 (16)
C7C	0.038 (2)	0.017 (3)	0.020 (3)	−0.007 (2)	0.0050 (19)	−0.0045 (18)
C8C	0.044 (3)	0.021 (2)	0.021 (2)	−0.006 (3)	0.005 (2)	−0.0002 (18)
C9C	0.041 (3)	0.029 (2)	0.022 (2)	−0.006 (3)	−0.001 (2)	−0.0004 (19)
C10C	0.036 (3)	0.024 (2)	0.029 (3)	−0.006 (2)	0.000 (2)	−0.002 (2)
C11C	0.035 (2)	0.021 (2)	0.024 (3)	−0.0066 (18)	0.006 (2)	−0.003 (2)
C12C	0.035 (2)	0.015 (3)	0.0168 (18)	−0.0043 (18)	0.0007 (18)	−0.0035 (18)
N1C	0.041 (2)	0.0159 (18)	0.0138 (17)	−0.0052 (18)	0.0036 (17)	0.0031 (13)
C13C	0.047 (3)	0.0144 (19)	0.0182 (18)	−0.0010 (19)	0.0124 (19)	−0.0004 (15)
C14C	0.051 (3)	0.018 (2)	0.0155 (18)	0.001 (2)	0.0112 (19)	−0.0029 (15)
C15C	0.045 (3)	0.022 (2)	0.0165 (19)	0.0032 (19)	0.0093 (18)	−0.0021 (16)
C16C	0.044 (2)	0.018 (2)	0.024 (2)	0.0009 (19)	0.0177 (19)	−0.0018 (16)
C17C	0.045 (3)	0.0179 (19)	0.023 (2)	−0.0040 (19)	0.0128 (19)	−0.0018 (16)
C18C	0.051 (3)	0.021 (2)	0.019 (2)	−0.004 (2)	0.012 (2)	−0.0036 (17)
C19C	0.046 (3)	0.029 (2)	0.020 (2)	0.006 (2)	0.0125 (19)	0.0005 (17)
O1C	0.050 (2)	0.0262 (17)	0.0324 (17)	−0.0014 (15)	0.0114 (16)	0.0112 (14)
O2C	0.078 (3)	0.034 (2)	0.0221 (17)	0.0003 (19)	0.0128 (18)	0.0076 (15)
C20C	0.059 (3)	0.028 (2)	0.033 (2)	−0.001 (2)	0.007 (2)	0.014 (2)
C21C	0.061 (4)	0.051 (4)	0.031 (3)	−0.004 (3)	0.007 (3)	0.020 (3)
C1M	0.038 (4)	0.014 (4)	0.017 (4)	−0.001 (4)	0.003 (4)	−0.001 (4)
C2M	0.035 (5)	0.020 (5)	0.020 (5)	0.002 (5)	−0.005 (5)	−0.005 (5)
C3M	0.039 (5)	0.024 (5)	0.028 (5)	0.001 (5)	−0.004 (5)	−0.004 (5)
C4M	0.037 (5)	0.019 (5)	0.026 (5)	−0.005 (5)	−0.005 (5)	0.000 (5)
C5M	0.040 (4)	0.017 (4)	0.023 (4)	−0.005 (4)	0.002 (4)	−0.001 (4)
C6M	0.038 (4)	0.017 (4)	0.019 (4)	−0.003 (3)	0.003 (4)	−0.001 (3)
C7M	0.039 (4)	0.017 (4)	0.017 (4)	−0.003 (4)	0.002 (4)	0.001 (4)
C8M	0.038 (5)	0.022 (5)	0.023 (5)	−0.006 (5)	0.002 (5)	0.000 (4)
C9M	0.039 (5)	0.025 (5)	0.024 (5)	−0.005 (5)	0.001 (5)	0.003 (4)
C10M	0.036 (5)	0.024 (5)	0.024 (5)	−0.002 (5)	0.000 (5)	0.002 (5)
C11M	0.033 (5)	0.017 (5)	0.024 (5)	−0.006 (4)	0.004 (5)	−0.002 (5)
C12M	0.037 (4)	0.017 (4)	0.017 (4)	−0.005 (4)	0.004 (4)	0.000 (4)
N1M	0.039 (4)	0.015 (4)	0.014 (4)	−0.004 (4)	0.002 (4)	−0.003 (4)
C13M	0.045 (4)	0.016 (4)	0.015 (4)	−0.004 (4)	0.007 (4)	0.000 (4)
C14M	0.047 (4)	0.019 (4)	0.017 (4)	−0.001 (4)	0.007 (4)	−0.001 (4)
C15M	0.045 (4)	0.025 (4)	0.022 (4)	0.000 (4)	0.005 (4)	0.001 (4)
C16M	0.045 (4)	0.025 (4)	0.021 (4)	0.000 (4)	0.007 (4)	0.002 (4)
C17M	0.046 (5)	0.022 (5)	0.022 (5)	0.001 (5)	0.008 (5)	−0.002 (5)
C18M	0.048 (5)	0.018 (5)	0.019 (5)	−0.002 (5)	0.010 (5)	0.000 (4)
C19M	0.047 (5)	0.024 (5)	0.026 (5)	0.000 (5)	0.003 (5)	0.007 (5)
O1M	0.053 (5)	0.024 (4)	0.027 (4)	−0.009 (4)	−0.002 (4)	0.009 (4)
O2M	0.040 (9)	0.039 (9)	0.030 (8)	−0.002 (7)	−0.014 (7)	−0.003 (7)
C20M	0.054 (6)	0.018 (5)	0.025 (5)	−0.004 (5)	0.000 (5)	0.013 (5)
C21M	0.094 (13)	0.055 (12)	0.020 (10)	0.011 (12)	−0.004 (11)	0.009 (10)
C1D	0.032 (2)	0.0219 (19)	0.0219 (18)	0.0062 (16)	−0.0024 (16)	−0.0012 (14)
C2D	0.030 (2)	0.042 (2)	0.0193 (19)	0.0101 (18)	−0.0027 (16)	0.0025 (17)
C3D	0.050 (3)	0.037 (2)	0.0177 (19)	0.021 (2)	−0.0035 (19)	0.0002 (17)
C4D	0.075 (4)	0.029 (2)	0.0140 (18)	0.013 (2)	0.003 (2)	0.0042 (16)
C5D	0.061 (3)	0.030 (2)	0.025 (2)	0.000 (2)	0.007 (2)	−0.0015 (17)
C6D	0.043 (3)	0.023 (2)	0.0241 (19)	0.0013 (18)	0.0094 (18)	−0.0052 (15)
C7D	0.034 (2)	0.025 (2)	0.026 (2)	0.0044 (17)	0.0004 (17)	−0.0097 (16)
C8D	0.041 (3)	0.038 (3)	0.034 (2)	−0.012 (2)	0.012 (2)	−0.0130 (19)
C9D	0.035 (3)	0.056 (3)	0.044 (3)	−0.009 (2)	0.001 (2)	−0.030 (2)
C10D	0.034 (2)	0.038 (3)	0.039 (2)	−0.0087 (19)	−0.0046 (19)	−0.017 (2)
C11D	0.033 (2)	0.023 (2)	0.034 (2)	−0.0038 (16)	−0.0083 (18)	−0.0050 (16)
C12D	0.028 (2)	0.0178 (18)	0.029 (2)	−0.0009 (15)	−0.0012 (17)	−0.0022 (15)
N1D	0.0270 (17)	0.0230 (16)	0.0233 (16)	−0.0004 (13)	−0.0068 (13)	0.0053 (13)
C13D	0.029 (2)	0.0151 (17)	0.0249 (19)	−0.0001 (14)	−0.0120 (16)	0.0036 (14)
C14D	0.034 (2)	0.028 (2)	0.0206 (18)	0.0002 (17)	−0.0118 (17)	0.0002 (15)
C15D	0.036 (2)	0.021 (2)	0.031 (2)	−0.0033 (17)	−0.0134 (18)	−0.0074 (15)
C16D	0.028 (2)	0.0171 (18)	0.031 (2)	−0.0005 (15)	−0.0052 (16)	0.0022 (15)
C17D	0.036 (2)	0.0158 (17)	0.0218 (18)	−0.0008 (16)	−0.0080 (16)	−0.0019 (14)
C18D	0.032 (2)	0.0161 (18)	0.0236 (18)	−0.0018 (15)	−0.0066 (16)	0.0027 (14)
C19D	0.038 (2)	0.020 (2)	0.040 (2)	−0.0051 (17)	0.0002 (19)	−0.0043 (17)
O1D	0.0450 (18)	0.0179 (14)	0.0352 (16)	−0.0072 (12)	−0.0035 (14)	0.0096 (11)
O2D	0.051 (2)	0.0305 (17)	0.0478 (19)	−0.0172 (15)	0.0071 (16)	−0.0087 (14)
C20D	0.045 (3)	0.020 (2)	0.052 (3)	−0.0036 (18)	0.005 (2)	0.0171 (19)
C21D	0.078 (4)	0.043 (3)	0.046 (3)	−0.009 (3)	−0.008 (3)	0.026 (2)
C1E	0.028 (2)	0.0142 (17)	0.0127 (16)	−0.0031 (14)	0.0006 (14)	−0.0016 (13)
C2E	0.032 (2)	0.0167 (17)	0.0130 (16)	−0.0015 (15)	−0.0026 (15)	0.0028 (13)
C3E	0.033 (2)	0.0215 (19)	0.0200 (18)	−0.0048 (16)	−0.0034 (16)	−0.0039 (14)
C4E	0.029 (2)	0.0191 (19)	0.028 (2)	−0.0048 (15)	0.0036 (16)	−0.0060 (15)
C5E	0.036 (2)	0.0153 (18)	0.0227 (19)	−0.0027 (16)	0.0025 (17)	0.0007 (14)
C6E	0.029 (2)	0.0127 (17)	0.0147 (16)	0.0020 (14)	−0.0005 (14)	−0.0023 (13)
C7E	0.029 (2)	0.0162 (17)	0.0163 (17)	0.0020 (15)	−0.0032 (15)	0.0019 (13)
C8E	0.036 (2)	0.025 (2)	0.0205 (18)	0.0014 (17)	0.0007 (16)	0.0074 (15)
C9E	0.040 (3)	0.037 (2)	0.0217 (19)	0.0100 (19)	−0.0092 (18)	0.0084 (17)
C10E	0.033 (2)	0.036 (2)	0.033 (2)	0.0045 (19)	−0.0097 (19)	0.0016 (18)
C11E	0.028 (2)	0.028 (2)	0.0235 (19)	−0.0018 (17)	−0.0026 (16)	−0.0003 (15)
C12E	0.029 (2)	0.0173 (18)	0.0114 (16)	0.0023 (15)	−0.0055 (14)	0.0008 (13)
N1E	0.0262 (17)	0.0101 (14)	0.0163 (14)	−0.0022 (12)	−0.0026 (13)	0.0038 (11)
C13E	0.027 (2)	0.0134 (17)	0.0135 (16)	−0.0010 (14)	−0.0019 (14)	0.0028 (12)
C14E	0.031 (2)	0.0095 (16)	0.0184 (17)	−0.0037 (14)	−0.0035 (15)	−0.0013 (13)
C15E	0.032 (2)	0.0159 (18)	0.0170 (17)	−0.0005 (15)	−0.0030 (16)	−0.0006 (13)
C16E	0.028 (2)	0.0117 (17)	0.0182 (17)	0.0004 (14)	0.0010 (15)	0.0034 (13)
C17E	0.0256 (19)	0.0134 (17)	0.0191 (17)	−0.0015 (14)	−0.0038 (15)	0.0024 (13)
C18E	0.0235 (19)	0.0177 (17)	0.0155 (16)	−0.0021 (14)	−0.0044 (15)	0.0015 (13)
C19E	0.027 (2)	0.0125 (17)	0.0173 (17)	0.0020 (14)	0.0012 (15)	−0.0005 (13)
O1E	0.0315 (15)	0.0220 (14)	0.0167 (12)	−0.0038 (11)	−0.0032 (11)	0.0062 (10)
O2E	0.0366 (16)	0.0262 (14)	0.0146 (12)	−0.0043 (12)	−0.0016 (12)	0.0008 (10)
C20E	0.031 (2)	0.025 (2)	0.0191 (18)	−0.0016 (17)	−0.0030 (16)	0.0116 (15)
C21E	0.036 (2)	0.026 (2)	0.023 (2)	−0.0066 (17)	−0.0054 (17)	0.0123 (16)
C1F	0.025 (2)	0.0106 (16)	0.0182 (17)	−0.0044 (14)	−0.0095 (15)	0.0018 (13)
C2F	0.026 (2)	0.0200 (19)	0.0204 (18)	−0.0014 (15)	−0.0074 (15)	0.0024 (14)
C3F	0.0228 (19)	0.026 (2)	0.0216 (19)	−0.0007 (15)	−0.0078 (15)	0.0101 (15)
C4F	0.028 (2)	0.026 (2)	0.0186 (18)	−0.0101 (16)	−0.0146 (16)	0.0085 (15)
C5F	0.034 (2)	0.0177 (18)	0.0158 (17)	−0.0081 (16)	−0.0142 (15)	0.0000 (14)
C6F	0.026 (2)	0.0158 (17)	0.0157 (17)	−0.0055 (15)	−0.0078 (15)	−0.0009 (13)
C7F	0.028 (2)	0.0216 (19)	0.0128 (16)	−0.0079 (15)	−0.0071 (15)	0.0007 (13)
C8F	0.039 (2)	0.027 (2)	0.0187 (18)	−0.0066 (17)	−0.0004 (17)	−0.0058 (15)
C9F	0.050 (3)	0.029 (2)	0.024 (2)	−0.0080 (19)	0.0093 (19)	−0.0090 (16)
C10F	0.030 (2)	0.035 (2)	0.033 (2)	−0.0089 (18)	0.0084 (18)	−0.0053 (18)
C11F	0.031 (2)	0.026 (2)	0.026 (2)	−0.0088 (17)	0.0000 (17)	−0.0059 (16)
C12F	0.030 (2)	0.0193 (18)	0.0144 (17)	−0.0047 (15)	−0.0045 (15)	−0.0022 (13)
N1F	0.0200 (16)	0.0221 (16)	0.0174 (15)	−0.0050 (12)	−0.0060 (13)	−0.0058 (12)
C13F	0.0228 (19)	0.0148 (17)	0.0225 (18)	−0.0004 (14)	−0.0111 (15)	−0.0024 (14)
C14F	0.026 (2)	0.0172 (18)	0.0203 (17)	−0.0038 (15)	−0.0112 (16)	0.0023 (14)
C15F	0.032 (2)	0.0169 (18)	0.0140 (16)	−0.0003 (15)	−0.0089 (15)	0.0030 (13)
C16F	0.0183 (18)	0.0183 (18)	0.0170 (17)	−0.0005 (14)	−0.0087 (14)	−0.0005 (13)
C17F	0.0245 (19)	0.0142 (17)	0.0201 (17)	−0.0022 (14)	−0.0064 (15)	−0.0010 (14)
C18F	0.030 (2)	0.0183 (18)	0.0155 (16)	−0.0015 (15)	−0.0037 (15)	−0.0002 (14)
C19F	0.0225 (19)	0.0179 (18)	0.0171 (17)	0.0002 (14)	−0.0096 (15)	−0.0007 (14)
O1F	0.0319 (15)	0.0186 (13)	0.0173 (12)	−0.0065 (11)	−0.0056 (11)	−0.0067 (10)
O2F	0.0398 (17)	0.0339 (16)	0.0135 (12)	−0.0081 (13)	−0.0066 (12)	−0.0019 (11)
C20F	0.034 (2)	0.022 (2)	0.0203 (18)	−0.0063 (17)	−0.0099 (17)	−0.0089 (15)
C21F	0.034 (2)	0.021 (2)	0.028 (2)	−0.0073 (17)	−0.0081 (18)	−0.0045 (15)
C1G	0.039 (2)	0.0106 (17)	0.0215 (18)	−0.0048 (15)	−0.0127 (17)	0.0052 (13)
C2G	0.036 (2)	0.027 (2)	0.0222 (19)	−0.0090 (17)	−0.0092 (17)	0.0077 (15)
C3G	0.040 (3)	0.055 (3)	0.031 (2)	−0.018 (2)	−0.011 (2)	0.014 (2)
C4G	0.041 (3)	0.051 (3)	0.035 (2)	−0.026 (2)	−0.016 (2)	0.019 (2)
C5G	0.055 (3)	0.029 (2)	0.031 (2)	−0.021 (2)	−0.026 (2)	0.0131 (17)
C6G	0.046 (3)	0.0123 (17)	0.0241 (19)	−0.0097 (16)	−0.0197 (18)	0.0087 (14)
C7G	0.050 (3)	0.0120 (17)	0.0192 (18)	−0.0001 (16)	−0.0197 (18)	0.0041 (14)
C8G	0.077 (4)	0.0105 (18)	0.024 (2)	0.0016 (19)	−0.025 (2)	−0.0001 (15)
C9G	0.080 (4)	0.023 (2)	0.022 (2)	0.018 (2)	−0.014 (2)	−0.0069 (16)
C10G	0.057 (3)	0.026 (2)	0.025 (2)	0.013 (2)	−0.015 (2)	−0.0041 (16)
C11G	0.044 (3)	0.025 (2)	0.0183 (18)	0.0077 (18)	−0.0128 (17)	−0.0026 (15)
C12G	0.042 (2)	0.0129 (17)	0.0178 (17)	0.0041 (16)	−0.0135 (16)	−0.0002 (13)
N1G	0.0301 (18)	0.0194 (15)	0.0185 (15)	−0.0017 (13)	−0.0108 (13)	−0.0022 (12)
C13G	0.0245 (19)	0.0127 (16)	0.0204 (17)	0.0018 (14)	−0.0132 (15)	−0.0044 (13)
C14G	0.0241 (19)	0.0167 (17)	0.0194 (17)	−0.0011 (15)	−0.0033 (15)	0.0020 (14)
C15G	0.027 (2)	0.0181 (18)	0.0142 (16)	0.0004 (15)	−0.0093 (15)	−0.0024 (13)
C16G	0.0192 (18)	0.0158 (17)	0.0227 (18)	0.0023 (14)	−0.0038 (14)	0.0016 (14)
C17G	0.0235 (19)	0.0169 (18)	0.0226 (18)	0.0008 (14)	−0.0047 (15)	0.0001 (14)
C18G	0.0221 (19)	0.0170 (17)	0.0200 (17)	0.0022 (14)	−0.0056 (14)	0.0025 (13)
C19G	0.0216 (19)	0.0142 (17)	0.0242 (19)	0.0012 (14)	−0.0071 (15)	0.0004 (14)
O1G	0.0320 (15)	0.0219 (14)	0.0187 (13)	−0.0042 (11)	−0.0052 (11)	−0.0036 (10)
O2G	0.0298 (15)	0.0233 (14)	0.0283 (14)	−0.0114 (12)	−0.0063 (12)	−0.0004 (11)
C20G	0.033 (2)	0.024 (2)	0.027 (2)	−0.0044 (17)	0.0002 (17)	−0.0102 (16)
C21G	0.081 (4)	0.041 (3)	0.022 (2)	−0.018 (3)	0.004 (2)	−0.0149 (19)
C1H	0.044 (2)	0.0148 (17)	0.0147 (17)	−0.0041 (16)	−0.0087 (16)	−0.0027 (13)
C2H	0.047 (3)	0.023 (2)	0.0169 (17)	−0.0053 (18)	−0.0044 (17)	0.0010 (15)
C3H	0.045 (3)	0.028 (2)	0.027 (2)	−0.0078 (19)	−0.0095 (19)	0.0045 (17)
C4H	0.051 (3)	0.024 (2)	0.0229 (19)	−0.0110 (18)	−0.0191 (19)	0.0063 (16)
C5H	0.048 (3)	0.0174 (18)	0.0199 (18)	−0.0004 (17)	−0.0177 (18)	−0.0028 (14)
C6H	0.043 (2)	0.0161 (18)	0.0147 (17)	−0.0009 (16)	−0.0115 (16)	0.0013 (13)
C7H	0.042 (2)	0.0207 (19)	0.0132 (16)	0.0038 (16)	−0.0133 (16)	0.0009 (14)
C8H	0.048 (3)	0.036 (2)	0.0192 (19)	0.007 (2)	−0.0095 (19)	−0.0015 (16)
C9H	0.051 (3)	0.052 (3)	0.029 (2)	0.017 (2)	−0.004 (2)	0.003 (2)
C10H	0.043 (3)	0.051 (3)	0.032 (2)	0.005 (2)	−0.003 (2)	0.008 (2)
C11H	0.039 (3)	0.035 (2)	0.028 (2)	0.0007 (19)	−0.0070 (18)	0.0052 (17)
C12H	0.039 (2)	0.0209 (19)	0.0189 (18)	−0.0006 (17)	−0.0128 (17)	0.0035 (14)
N1H	0.0351 (19)	0.0221 (16)	0.0146 (14)	−0.0045 (14)	−0.0053 (13)	−0.0012 (12)
C13H	0.036 (2)	0.0136 (17)	0.0206 (17)	0.0029 (15)	−0.0113 (16)	−0.0022 (13)
C14H	0.037 (2)	0.0185 (18)	0.0220 (18)	−0.0023 (16)	−0.0098 (17)	0.0013 (14)
C15H	0.036 (2)	0.0223 (19)	0.0138 (16)	0.0008 (16)	−0.0112 (15)	0.0016 (14)
C16H	0.032 (2)	0.0190 (18)	0.0215 (18)	−0.0006 (15)	−0.0128 (16)	0.0007 (14)
C17H	0.034 (2)	0.0189 (18)	0.0244 (19)	−0.0028 (16)	−0.0114 (16)	0.0029 (14)
C18H	0.040 (2)	0.0178 (19)	0.0234 (19)	−0.0005 (16)	−0.0105 (17)	0.0023 (14)
C19H	0.038 (2)	0.0178 (18)	0.0214 (19)	−0.0014 (16)	−0.0129 (17)	−0.0002 (14)
O1H	0.0360 (16)	0.0244 (14)	0.0261 (14)	−0.0070 (12)	−0.0092 (12)	−0.0063 (11)
O2H	0.0480 (19)	0.0324 (16)	0.0179 (13)	−0.0049 (14)	−0.0102 (13)	−0.0024 (11)
C20H	0.043 (3)	0.028 (2)	0.0201 (19)	−0.0103 (18)	−0.0075 (17)	−0.0094 (16)
C21H	0.036 (2)	0.028 (2)	0.034 (2)	−0.0066 (18)	−0.0075 (18)	−0.0077 (17)
C1I	0.035 (2)	0.0126 (17)	0.0093 (19)	0.0050 (16)	−0.0042 (17)	−0.0050 (18)
C2I	0.028 (2)	0.022 (2)	0.023 (2)	−0.0018 (18)	−0.0082 (19)	−0.003 (2)
C3I	0.030 (2)	0.021 (2)	0.024 (2)	0.0028 (18)	−0.003 (2)	0.000 (2)
C4I	0.041 (3)	0.020 (2)	0.022 (3)	−0.003 (2)	−0.004 (2)	−0.005 (2)
C5I	0.038 (3)	0.020 (2)	0.015 (2)	−0.006 (2)	−0.011 (2)	−0.001 (2)
C6I	0.029 (2)	0.0158 (18)	0.017 (3)	0.0002 (16)	−0.0085 (17)	0.005 (2)
C7I	0.032 (2)	0.021 (3)	0.026 (2)	0.0033 (17)	−0.0039 (18)	0.015 (2)
C8I	0.034 (2)	0.039 (3)	0.027 (3)	0.002 (2)	−0.001 (2)	0.017 (2)
C9I	0.033 (2)	0.034 (3)	0.034 (3)	0.004 (2)	0.003 (2)	0.021 (2)
C10I	0.039 (3)	0.028 (3)	0.039 (3)	0.008 (2)	0.013 (2)	0.019 (2)
C11I	0.042 (3)	0.017 (2)	0.036 (2)	−0.0015 (19)	0.012 (2)	0.0039 (18)
C12I	0.046 (2)	0.018 (2)	0.021 (2)	0.0103 (18)	0.0093 (18)	0.0086 (17)
N1I	0.042 (2)	0.0148 (17)	0.0153 (16)	−0.0002 (15)	0.0011 (16)	−0.0043 (14)
C13I	0.045 (2)	0.019 (2)	0.024 (2)	0.0036 (19)	−0.0036 (19)	−0.0083 (17)
C14I	0.039 (2)	0.028 (2)	0.023 (2)	−0.0084 (19)	0.0027 (18)	−0.0047 (17)
C15I	0.044 (3)	0.028 (2)	0.025 (2)	−0.0090 (19)	0.0043 (19)	−0.0042 (17)
C16I	0.042 (2)	0.0164 (19)	0.028 (2)	−0.0010 (18)	0.0022 (19)	−0.0041 (16)
C17I	0.047 (3)	0.022 (2)	0.023 (2)	−0.0017 (19)	0.0063 (19)	−0.0067 (17)
C18I	0.045 (2)	0.0143 (19)	0.027 (2)	−0.0040 (17)	0.0069 (19)	−0.0105 (16)
C19I	0.051 (3)	0.020 (2)	0.022 (2)	0.0013 (19)	0.0011 (19)	0.0007 (16)
O1I	0.064 (2)	0.0216 (18)	0.0222 (17)	−0.0090 (16)	−0.0006 (16)	−0.0053 (13)
O2I	0.053 (2)	0.0254 (18)	0.0298 (17)	−0.0105 (16)	−0.0031 (16)	0.0014 (13)
C20I	0.073 (3)	0.016 (2)	0.027 (2)	−0.008 (2)	0.000 (2)	−0.013 (2)
C21I	0.065 (4)	0.023 (2)	0.031 (3)	0.000 (2)	−0.003 (2)	−0.0082 (19)
C1N	0.035 (4)	0.016 (4)	0.016 (4)	0.001 (4)	−0.004 (4)	−0.001 (4)
C2N	0.032 (5)	0.018 (5)	0.016 (5)	0.001 (4)	−0.012 (5)	−0.005 (5)
C3N	0.032 (5)	0.021 (5)	0.019 (5)	−0.001 (5)	−0.010 (5)	−0.006 (5)
C4N	0.036 (5)	0.021 (5)	0.016 (5)	−0.003 (5)	−0.007 (5)	−0.003 (5)
C5N	0.037 (5)	0.019 (5)	0.018 (5)	−0.004 (5)	−0.012 (5)	−0.002 (5)
C6N	0.034 (4)	0.017 (4)	0.017 (4)	0.000 (4)	−0.007 (4)	0.003 (4)
C7N	0.034 (4)	0.023 (4)	0.024 (4)	0.004 (4)	0.000 (4)	0.012 (4)
C8N	0.032 (5)	0.031 (5)	0.029 (5)	0.005 (5)	0.001 (5)	0.016 (5)
C9N	0.031 (5)	0.033 (6)	0.026 (6)	0.007 (5)	0.003 (5)	0.018 (5)
C10N	0.030 (5)	0.025 (6)	0.025 (5)	0.009 (5)	0.008 (5)	0.015 (5)
C11N	0.038 (5)	0.022 (4)	0.030 (4)	0.005 (4)	0.006 (4)	0.017 (4)
C12N	0.043 (4)	0.021 (4)	0.026 (4)	0.005 (4)	0.006 (4)	0.011 (4)
N1N	0.047 (4)	0.020 (4)	0.021 (4)	0.001 (4)	0.003 (4)	−0.002 (4)
C13N	0.049 (4)	0.024 (4)	0.028 (4)	0.000 (4)	0.003 (4)	−0.008 (4)
C14N	0.039 (4)	0.022 (4)	0.022 (4)	−0.003 (4)	−0.002 (4)	−0.006 (4)
C15N	0.042 (4)	0.020 (4)	0.023 (4)	−0.006 (4)	−0.001 (4)	−0.006 (4)
C16N	0.041 (5)	0.020 (4)	0.022 (4)	−0.006 (4)	−0.004 (4)	−0.006 (4)
C17N	0.041 (5)	0.019 (5)	0.024 (5)	−0.004 (5)	−0.001 (5)	−0.002 (5)
C18N	0.046 (6)	0.019 (6)	0.029 (6)	−0.001 (6)	0.001 (6)	−0.007 (6)
C19N	0.054 (6)	0.025 (6)	0.021 (6)	−0.012 (6)	−0.008 (6)	−0.010 (5)
O1N	0.060 (5)	0.025 (5)	0.024 (5)	−0.011 (5)	−0.001 (5)	−0.008 (4)
O2N	0.083 (15)	0.051 (12)	0.018 (9)	−0.002 (12)	−0.020 (10)	−0.013 (9)
C20N	0.069 (6)	0.022 (6)	0.030 (6)	−0.007 (6)	−0.001 (5)	−0.011 (6)
C21N	0.073 (11)	0.027 (10)	0.034 (10)	0.007 (10)	−0.005 (10)	−0.020 (9)
C1J	0.025 (2)	0.0160 (18)	0.028 (2)	−0.0001 (14)	−0.0064 (16)	0.0118 (14)
C2J	0.037 (2)	0.030 (2)	0.031 (2)	−0.0031 (18)	−0.0043 (18)	0.0078 (17)
C3J	0.029 (2)	0.044 (3)	0.042 (3)	−0.004 (2)	−0.006 (2)	0.009 (2)
C4J	0.025 (2)	0.040 (3)	0.048 (3)	−0.0099 (19)	−0.011 (2)	0.019 (2)
C5J	0.037 (2)	0.028 (2)	0.037 (2)	−0.0120 (18)	−0.017 (2)	0.0097 (18)
C6J	0.030 (2)	0.024 (2)	0.029 (2)	−0.0048 (16)	−0.0122 (17)	0.0144 (16)
C7J	0.038 (2)	0.0159 (18)	0.0169 (17)	−0.0032 (16)	−0.0150 (16)	0.0059 (14)
C8J	0.053 (3)	0.0168 (19)	0.0223 (19)	−0.0071 (18)	−0.0131 (19)	0.0006 (15)
C9J	0.060 (3)	0.021 (2)	0.0179 (18)	0.002 (2)	−0.008 (2)	−0.0082 (15)
C10J	0.041 (2)	0.026 (2)	0.0203 (18)	−0.0008 (17)	−0.0006 (17)	−0.0050 (15)
C11J	0.029 (2)	0.0201 (18)	0.0165 (17)	−0.0025 (15)	−0.0086 (15)	0.0018 (14)
C12J	0.031 (2)	0.0147 (17)	0.0138 (16)	0.0020 (15)	−0.0084 (15)	0.0021 (13)
N1J	0.0204 (16)	0.0203 (16)	0.0213 (15)	−0.0008 (12)	−0.0042 (13)	0.0013 (12)
C13J	0.022 (2)	0.0140 (17)	0.0141 (17)	0.0064 (15)	−0.0024 (15)	−0.0033 (13)
C14J	0.024 (2)	0.016 (2)	0.0174 (17)	−0.0033 (16)	0.0005 (15)	0.0031 (15)
C15J	0.0273 (19)	0.0128 (18)	0.0124 (16)	−0.0021 (16)	−0.0034 (14)	0.0039 (14)
C16J	0.0207 (18)	0.0146 (17)	0.0141 (17)	−0.0014 (14)	−0.0018 (14)	0.0013 (13)
C17J	0.025 (2)	0.0152 (17)	0.0101 (17)	−0.0004 (14)	0.0001 (15)	0.0011 (14)
C18J	0.0267 (19)	0.0127 (16)	0.0100 (17)	0.0030 (14)	−0.0038 (19)	0.0014 (16)
C19J	0.032 (2)	0.0230 (19)	0.0125 (17)	−0.0047 (16)	−0.0055 (15)	0.0040 (14)
O1J	0.054 (2)	0.0398 (19)	0.0181 (14)	−0.0120 (16)	0.0018 (15)	−0.0107 (13)
O2J	0.0345 (18)	0.0223 (15)	0.0213 (15)	−0.0096 (13)	−0.0044 (13)	−0.0037 (12)
C20J	0.054 (3)	0.037 (3)	0.027 (2)	−0.005 (2)	0.004 (2)	−0.0099 (19)
C21J	0.047 (3)	0.048 (3)	0.050 (3)	0.005 (3)	−0.001 (3)	−0.014 (3)
C13O	0.023 (5)	0.017 (5)	0.018 (5)	0.003 (5)	0.000 (5)	0.001 (5)
C14O	0.026 (5)	0.016 (5)	0.013 (5)	0.002 (5)	−0.001 (5)	−0.001 (5)
C15O	0.029 (5)	0.018 (5)	0.017 (5)	0.000 (5)	0.000 (5)	0.003 (5)
C16O	0.029 (4)	0.017 (4)	0.014 (4)	−0.002 (4)	−0.001 (4)	0.003 (4)
C17O	0.027 (4)	0.015 (4)	0.013 (4)	0.001 (4)	0.000 (4)	0.002 (4)
C18O	0.027 (5)	0.016 (5)	0.012 (5)	0.005 (5)	−0.003 (5)	0.001 (5)
C19O	0.037 (4)	0.025 (4)	0.018 (4)	−0.004 (4)	−0.001 (4)	−0.001 (4)
O1O	0.046 (5)	0.033 (5)	0.021 (5)	−0.005 (5)	−0.002 (5)	−0.006 (5)
O2O	0.062 (13)	0.044 (12)	0.028 (11)	−0.008 (12)	−0.011 (11)	−0.002 (11)
C20O	0.044 (6)	0.034 (6)	0.016 (6)	−0.007 (6)	−0.006 (6)	−0.012 (6)
C21O	0.039 (10)	0.032 (10)	0.011 (9)	−0.009 (9)	−0.005 (9)	−0.003 (9)

Geometric parameters (Å, º)

C1A—C2A	1.388 (6)	C21E—H21M	0.9800
C1A—C6A	1.405 (6)	C21E—H21N	0.9800
C1A—N1A	1.408 (5)	C21E—H21O	0.9800
C2A—C3A	1.397 (6)	C1F—C2F	1.393 (6)
C2A—H2A	0.9500	C1F—N1F	1.411 (5)
C3A—C4A	1.396 (7)	C1F—C6F	1.411 (5)
C3A—H3A	0.9500	C2F—C3F	1.391 (5)
C4A—C5A	1.377 (7)	C2F—H2F	0.9500
C4A—H4A	0.9500	C3F—C4F	1.401 (5)
C5A—C6A	1.394 (6)	C3F—H3F	0.9500
C5A—H5A	0.9500	C4F—C5F	1.379 (6)
C6A—C7A	1.447 (6)	C4F—H4F	0.9500
C7A—C8A	1.394 (6)	C5F—C6F	1.402 (5)
C7A—C12A	1.404 (5)	C5F—H5F	0.9500
C8A—C9A	1.384 (7)	C6F—C7F	1.431 (6)
C8A—H8A	0.9500	C7F—C8F	1.398 (6)
C9A—C10A	1.409 (6)	C7F—C12F	1.415 (5)
C9A—H9A	0.9500	C8F—C9F	1.384 (7)
C10A—C11A	1.388 (5)	C8F—H8F	0.9500
C10A—H10A	0.9500	C9F—C10F	1.398 (6)
C11A—C12A	1.397 (6)	C9F—H9F	0.9500
C11A—H11A	0.9500	C10F—C11F	1.390 (6)
C12A—N1A	1.401 (5)	C10F—H10F	0.9500
N1A—C13A	1.417 (5)	C11F—C12F	1.396 (6)
C13A—C18A	1.398 (5)	C11F—H11F	0.9500
C13A—C14A	1.400 (5)	C12F—N1F	1.396 (5)
C14A—C15A	1.383 (5)	N1F—C13F	1.423 (4)
C14A—H14A	0.9500	C13F—C14F	1.381 (5)
C15A—C16A	1.400 (5)	C13F—C18F	1.388 (5)
C15A—H15A	0.9500	C14F—C15F	1.378 (5)
C16A—C17A	1.395 (5)	C14F—H14F	0.9500
C16A—C19A	1.486 (5)	C15F—C16F	1.392 (5)
C17A—C18A	1.380 (5)	C15F—H15F	0.9500
C17A—H17A	0.9500	C16F—C17F	1.391 (5)
C18A—H18A	0.9500	C16F—C19F	1.492 (5)
C19A—O2A	1.211 (5)	C17F—C18F	1.395 (5)
C19A—O1A	1.336 (4)	C17F—H17F	0.9500
O1A—C20A	1.467 (5)	C18F—H18F	0.9500
O1A—C20K	1.48 (2)	C19F—O2F	1.209 (5)
C20A—C21A	1.510 (6)	C19F—O1F	1.337 (5)
C20A—H20A	0.9900	O1F—C20F	1.446 (4)
C20A—H20B	0.9900	C20F—C21F	1.503 (6)
C21A—H21A	0.9800	C20F—H20L	0.9900
C21A—H21B	0.9800	C20F—H20M	0.9900
C21A—H21C	0.9800	C21F—H21P	0.9800
C20K—C21K	1.51 (2)	C21F—H21Q	0.9800
C20K—H20V	0.9900	C21F—H21R	0.9800
C20K—H20W	0.9900	C1G—C2G	1.394 (6)
C21K—H214	0.9800	C1G—N1G	1.397 (6)
C21K—H215	0.9800	C1G—C6G	1.420 (5)
C21K—H216	0.9800	C2G—C3G	1.384 (6)
C1B—N1B	1.397 (5)	C2G—H2G	0.9500
C1B—C2B	1.399 (6)	C3G—C4G	1.403 (7)
C1B—C6B	1.402 (5)	C3G—H3G	0.9500
C2B—C3B	1.383 (6)	C4G—C5G	1.364 (7)
C2B—H2B	0.9500	C4G—H4G	0.9500
C3B—C4B	1.404 (7)	C5G—C6G	1.402 (6)
C3B—H3B	0.9500	C5G—H5G	0.9500
C4B—C5B	1.391 (6)	C6G—C7G	1.425 (7)
C4B—H4B	0.9500	C7G—C8G	1.403 (6)
C5B—C6B	1.384 (5)	C7G—C12G	1.418 (5)
C5B—H5B	0.9500	C8G—C9G	1.375 (8)
C6B—C7B	1.457 (5)	C8G—H8G	0.9500
C7B—C8B	1.398 (5)	C9G—C10G	1.406 (7)
C7B—C12B	1.402 (5)	C9G—H9G	0.9500
C8B—C9B	1.387 (6)	C10G—C11G	1.385 (6)
C8B—H8B	0.9500	C10G—H10G	0.9500
C9B—C10B	1.386 (6)	C11G—C12G	1.403 (7)
C9B—H9B	0.9500	C11G—H11G	0.9500
C10B—C11B	1.385 (6)	C12G—N1G	1.399 (5)
C10B—H10B	0.9500	N1G—C13G	1.422 (4)
C11B—C12B	1.404 (5)	C13G—C18G	1.389 (5)
C11B—H11B	0.9500	C13G—C14G	1.396 (5)
C12B—N1B	1.398 (5)	C14G—C15G	1.387 (5)
N1B—C13B	1.414 (4)	C14G—H14G	0.9500
N1B—C13L	1.675 (19)	C15G—C16G	1.405 (5)
C13B—C18B	1.387 (5)	C15G—H15G	0.9500
C13B—C14B	1.398 (5)	C16G—C17G	1.391 (5)
C14B—C15B	1.376 (5)	C16G—C19G	1.480 (5)
C14B—H14B	0.9500	C17G—C18G	1.385 (5)
C15B—C16B	1.412 (5)	C17G—H17G	0.9500
C15B—H15B	0.9500	C18G—H18G	0.9500
C16B—C17B	1.381 (6)	C19G—O2G	1.210 (5)
C16B—C19B	1.486 (5)	C19G—O1G	1.337 (4)
C17B—C18B	1.386 (5)	O1G—C20G	1.451 (4)
C17B—H17B	0.9500	C20G—C21G	1.490 (6)
C18B—H18B	0.9500	C20G—H20N	0.9900
C19B—O2B	1.208 (5)	C20G—H20O	0.9900
C19B—O1B	1.344 (5)	C21G—H21S	0.9800
O1B—C20B	1.456 (5)	C21G—H21T	0.9800
C20B—C21B	1.499 (6)	C21G—H21U	0.9800
C20B—H20C	0.9900	C1H—C2H	1.398 (6)
C20B—H20D	0.9900	C1H—N1H	1.403 (5)
C21B—H21D	0.9800	C1H—C6H	1.427 (5)
C21B—H21E	0.9800	C2H—C3H	1.379 (6)
C21B—H21F	0.9800	C2H—H2H	0.9500
C13L—C18L	1.389 (19)	C3H—C4H	1.407 (6)
C13L—C14L	1.417 (19)	C3H—H3H	0.9500
C14L—C15L	1.376 (19)	C4H—C5H	1.377 (7)
C14L—H14L	0.9500	C4H—H4H	0.9500
C15L—C16L	1.414 (18)	C5H—C6H	1.397 (6)
C15L—H15L	0.9500	C5H—H5H	0.9500
C16L—C17L	1.379 (19)	C6H—C7H	1.439 (6)
C16L—C19L	1.488 (18)	C7H—C8H	1.396 (6)
C17L—C18L	1.391 (19)	C7H—C12H	1.417 (5)
C17L—H17L	0.9500	C8H—C9H	1.376 (7)
C18L—H18L	0.9500	C8H—H8H	0.9500
C19L—O2L	1.212 (19)	C9H—C10H	1.408 (7)
C19L—O1L	1.343 (19)	C9H—H9H	0.9500
O1L—C20L	1.45 (2)	C10H—C11H	1.379 (7)
C20L—C21L	1.49 (2)	C10H—H10H	0.9500
C20L—H20X	0.9900	C11H—C12H	1.399 (7)
C20L—H20Y	0.9900	C11H—H11H	0.9500
C21L—H217	0.9800	C12H—N1H	1.403 (5)
C21L—H218	0.9800	N1H—C13H	1.417 (4)
C21L—H219	0.9800	C13H—C18H	1.384 (6)
C1C—C2C	1.386 (7)	C13H—C14H	1.401 (5)
C1C—C6C	1.387 (6)	C14H—C15H	1.381 (5)
C1C—N1C	1.423 (7)	C14H—H14H	0.9500
C2C—C3C	1.392 (8)	C15H—C16H	1.383 (5)
C2C—H2C	0.9500	C15H—H15H	0.9500
C3C—C4C	1.405 (7)	C16H—C17H	1.397 (6)
C3C—H3C	0.9500	C16H—C19H	1.487 (5)
C4C—C5C	1.378 (7)	C17H—C18H	1.385 (5)
C4C—H4C	0.9500	C17H—H17H	0.9500
C5C—C6C	1.413 (7)	C18H—H18H	0.9500
C5C—H5C	0.9500	C19H—O2H	1.216 (5)
C6C—C7C	1.453 (7)	C19H—O1H	1.341 (5)
C7C—C8C	1.396 (7)	O1H—C20H	1.451 (4)
C7C—C12C	1.410 (6)	C20H—C21H	1.494 (6)
C8C—C9C	1.378 (8)	C20H—H20P	0.9900
C8C—H8C	0.9500	C20H—H20Q	0.9900
C9C—C10C	1.405 (7)	C21H—H21V	0.9800
C9C—H9C	0.9500	C21H—H21W	0.9800
C10C—C11C	1.367 (7)	C21H—H21X	0.9800
C10C—H10C	0.9500	C1I—C2I	1.386 (7)
C11C—C12C	1.418 (7)	C1I—N1I	1.387 (6)
C11C—H11C	0.9500	C1I—C6I	1.425 (6)
C12C—N1C	1.396 (6)	C2I—C3I	1.381 (7)
N1C—C13C	1.409 (6)	C2I—H2I	0.9500
C13C—C18C	1.383 (7)	C3I—C4I	1.398 (7)
C13C—C14C	1.393 (6)	C3I—H3I	0.9500
C14C—C15C	1.388 (6)	C4I—C5I	1.368 (7)
C14C—H14C	0.9500	C4I—H4I	0.9500
C15C—C16C	1.389 (7)	C5I—C6I	1.393 (6)
C15C—H15C	0.9500	C5I—H5I	0.9500
C16C—C17C	1.391 (7)	C6I—C7I	1.425 (7)
C16C—C19C	1.500 (6)	C7I—C12I	1.406 (6)
C17C—C18C	1.395 (6)	C7I—C8I	1.411 (7)
C17C—H17C	0.9500	C8I—C9I	1.380 (8)
C18C—H18C	0.9500	C8I—H8I	0.9500
C19C—O2C	1.196 (6)	C9I—C10I	1.379 (9)
C19C—O1C	1.329 (6)	C9I—H9I	0.9500
O1C—C20C	1.459 (5)	C10I—C11I	1.397 (8)
C20C—C21C	1.459 (8)	C10I—H10I	0.9500
C20C—H20E	0.9900	C11I—C12I	1.403 (7)
C20C—H20F	0.9900	C11I—H11I	0.9500
C21C—H21G	0.9800	C12I—N1I	1.375 (7)
C21C—H21H	0.9800	N1I—C13I	1.456 (6)
C21C—H21I	0.9800	C13I—C18I	1.383 (6)
C1M—C6M	1.382 (17)	C13I—C14I	1.403 (7)
C1M—C2M	1.385 (16)	C14I—C15I	1.389 (6)
C1M—N1M	1.416 (17)	C14I—H14I	0.9500
C2M—C3M	1.377 (18)	C15I—C16I	1.389 (6)
C2M—H2M	0.9500	C15I—H15I	0.9500
C3M—C4M	1.421 (19)	C16I—C17I	1.387 (7)
C3M—H3M	0.9500	C16I—C19I	1.501 (6)
C4M—C5M	1.377 (19)	C17I—C18I	1.378 (6)
C4M—H4M	0.9500	C17I—H17I	0.9500
C5M—C6M	1.418 (17)	C18I—H18I	0.9500
C5M—H5M	0.9500	C19I—O2I	1.226 (6)
C6M—C7M	1.453 (16)	C19I—O1I	1.326 (6)
C7M—C8M	1.388 (17)	O1I—C20I	1.478 (5)
C7M—C12M	1.415 (17)	C20I—C21I	1.498 (8)
C8M—C9M	1.366 (19)	C20I—H20R	0.9900
C8M—H8M	0.9500	C20I—H20S	0.9900
C9M—C10M	1.396 (19)	C21I—H21Y	0.9800
C9M—H9M	0.9500	C21I—H21Z	0.9800
C10M—C11M	1.375 (18)	C21I—H210	0.9800
C10M—H10M	0.9500	C1N—C2N	1.364 (18)
C11M—C12M	1.421 (17)	C1N—N1N	1.391 (17)
C11M—H11M	0.9500	C1N—C6N	1.424 (17)
C12M—N1M	1.403 (16)	C2N—C3N	1.372 (18)
N1M—C13M	1.412 (16)	C2N—H2N	0.9500
C13M—C18M	1.385 (18)	C3N—C4N	1.390 (19)
C13M—C14M	1.394 (16)	C3N—H3N	0.9500
C14M—C15M	1.395 (17)	C4N—C5N	1.382 (18)
C14M—H14M	0.9500	C4N—H4N	0.9500
C15M—C16M	1.399 (17)	C5N—C6N	1.403 (17)
C15M—H15M	0.9500	C5N—H5N	0.9500
C16M—C17M	1.389 (17)	C6N—C7N	1.427 (17)
C16M—C19M	1.501 (16)	C7N—C8N	1.419 (18)
C17M—C18M	1.399 (17)	C7N—C12N	1.428 (17)
C17M—H17M	0.9500	C8N—C9N	1.395 (19)
C18M—H18M	0.9500	C8N—H8N	0.9500
C19M—O2M	1.210 (16)	C9N—C10N	1.41 (2)
C19M—O1M	1.306 (16)	C9N—H9N	0.9500
O1M—C20M	1.440 (16)	C10N—C11N	1.40 (2)
C20M—C21M	1.48 (2)	C10N—H10N	0.9500
C20M—H20Z	0.9900	C11N—C12N	1.419 (17)
C20M—H201	0.9900	C11N—H11N	0.9500
C21M—H220	0.9800	C12N—N1N	1.409 (17)
C21M—H221	0.9800	N1N—C13N	1.640 (17)
C21M—H222	0.9800	C13N—C18N	1.364 (19)
C1D—C2D	1.388 (6)	C13N—C14N	1.512 (19)
C1D—N1D	1.400 (5)	C14N—C15N	1.412 (18)
C1D—C6D	1.406 (6)	C14N—H14N	0.9500
C2D—C3D	1.394 (5)	C15N—C16N	1.387 (18)
C2D—H2D	0.9500	C15N—H15N	0.9500
C3D—C4D	1.393 (7)	C16N—C17N	1.395 (18)
C3D—H3D	0.9500	C16N—C19N	1.496 (17)
C4D—C5D	1.391 (7)	C17N—C18N	1.379 (18)
C4D—H4D	0.9500	C17N—H17N	0.9500
C5D—C6D	1.387 (6)	C18N—H18N	0.9500
C5D—H5D	0.9500	C19N—O2N	1.216 (17)
C6D—C7D	1.455 (6)	C19N—O1N	1.339 (18)
C7D—C12D	1.404 (6)	O1N—C20N	1.495 (19)
C7D—C8D	1.405 (6)	C20N—C21N	1.47 (2)
C8D—C9D	1.382 (7)	C20N—H202	0.9900
C8D—H8D	0.9500	C20N—H203	0.9900
C9D—C10D	1.379 (7)	C21N—H223	0.9800
C9D—H9D	0.9500	C21N—H224	0.9800
C10D—C11D	1.400 (6)	C21N—H225	0.9800
C10D—H10D	0.9500	C1J—C2J	1.398 (6)
C11D—C12D	1.390 (6)	C1J—N1J	1.398 (5)
C11D—H11D	0.9500	C1J—C6J	1.412 (6)
C12D—N1D	1.410 (5)	C2J—C3J	1.373 (6)
N1D—C13D	1.412 (5)	C2J—H2J	0.9500
C13D—C18D	1.399 (5)	C3J—C4J	1.379 (7)
C13D—C14D	1.404 (5)	C3J—H3J	0.9500
C14D—C15D	1.382 (6)	C4J—C5J	1.402 (7)
C14D—H14D	0.9500	C4J—H4J	0.9500
C15D—C16D	1.401 (6)	C5J—C6J	1.409 (6)
C15D—H15D	0.9500	C5J—H5J	0.9500
C16D—C17D	1.393 (5)	C6J—C7J	1.445 (6)
C16D—C19D	1.490 (6)	C7J—C8J	1.381 (6)
C17D—C18D	1.381 (6)	C7J—C12J	1.415 (5)
C17D—H17D	0.9500	C8J—C9J	1.377 (7)
C18D—H18D	0.9500	C8J—H8J	0.9500
C19D—O2D	1.213 (5)	C9J—C10J	1.406 (6)
C19D—O1D	1.342 (5)	C9J—H9J	0.9500
O1D—C20D	1.461 (5)	C10J—C11J	1.386 (5)
C20D—C21D	1.491 (7)	C10J—H10J	0.9500
C20D—H20G	0.9900	C11J—C12J	1.390 (6)
C20D—H20H	0.9900	C11J—H11J	0.9500
C21D—H21J	0.9800	C12J—N1J	1.402 (5)
C21D—H21K	0.9800	N1J—C13J	1.431 (5)
C21D—H21L	0.9800	N1J—C13O	1.61 (2)
C1E—C2E	1.393 (5)	C13J—C18J	1.382 (5)
C1E—N1E	1.394 (5)	C13J—C14J	1.399 (5)
C1E—C6E	1.401 (5)	C14J—C15J	1.372 (6)
C2E—C3E	1.389 (6)	C14J—H14J	0.9500
C2E—H2E	0.9500	C15J—C16J	1.376 (6)
C3E—C4E	1.401 (5)	C15J—H15J	0.9500
C3E—H3E	0.9500	C16J—C17J	1.418 (5)
C4E—C5E	1.385 (6)	C16J—C19J	1.496 (5)
C4E—H4E	0.9500	C17J—C18J	1.398 (5)
C5E—C6E	1.398 (6)	C17J—H17J	0.9500
C5E—H5E	0.9500	C18J—H18J	0.9500
C6E—C7E	1.447 (5)	C19J—O2J	1.205 (5)
C7E—C8E	1.392 (5)	C19J—O1J	1.353 (5)
C7E—C12E	1.405 (5)	O1J—C20J	1.470 (5)
C8E—C9E	1.380 (6)	C20J—C21J	1.491 (8)
C8E—H8E	0.9500	C20J—H20T	0.9900
C9E—C10E	1.398 (6)	C20J—H20U	0.9900
C9E—H9E	0.9500	C21J—H211	0.9800
C10E—C11E	1.390 (6)	C21J—H212	0.9800
C10E—H10E	0.9500	C21J—H213	0.9800
C11E—C12E	1.400 (6)	C13O—C18O	1.371 (19)
C11E—H11E	0.9500	C13O—C14O	1.392 (19)
C12E—N1E	1.391 (4)	C14O—C15O	1.384 (19)
N1E—C13E	1.429 (4)	C14O—H14O	0.9500
C13E—C18E	1.390 (5)	C15O—C16O	1.382 (19)
C13E—C14E	1.391 (5)	C15O—H15O	0.9500
C14E—C15E	1.376 (5)	C16O—C17O	1.423 (19)
C14E—H14E	0.9500	C16O—C19O	1.490 (18)
C15E—C16E	1.390 (5)	C17O—C18O	1.419 (19)
C15E—H15E	0.9500	C17O—H17O	0.9500
C16E—C17E	1.393 (5)	C18O—H18O	0.9500
C16E—C19E	1.490 (5)	C19O—O2O	1.232 (19)
C17E—C18E	1.386 (5)	C19O—O1O	1.386 (19)
C17E—H17E	0.9500	O1O—C20O	1.457 (19)
C18E—H18E	0.9500	C20O—C21O	1.50 (2)
C19E—O2E	1.206 (4)	C20O—H204	0.9900
C19E—O1E	1.347 (4)	C20O—H205	0.9900
O1E—C20E	1.454 (4)	C21O—H226	0.9800
C20E—C21E	1.497 (6)	C21O—H227	0.9800
C20E—H20I	0.9900	C21O—H228	0.9800
C20E—H20J	0.9900
C2A—C1A—C6A	122.1 (4)	C20E—C21E—H21M	109.5
C2A—C1A—N1A	129.0 (4)	C20E—C21E—H21N	109.5
C6A—C1A—N1A	108.9 (4)	H21M—C21E—H21N	109.5
C1A—C2A—C3A	117.4 (4)	C20E—C21E—H21O	109.5
C1A—C2A—H2A	121.3	H21M—C21E—H21O	109.5
C3A—C2A—H2A	121.3	H21N—C21E—H21O	109.5
C4A—C3A—C2A	120.9 (4)	C2F—C1F—N1F	128.9 (3)
C4A—C3A—H3A	119.5	C2F—C1F—C6F	122.6 (3)
C2A—C3A—H3A	119.5	N1F—C1F—C6F	108.5 (3)
C5A—C4A—C3A	121.1 (4)	C3F—C2F—C1F	116.6 (4)
C5A—C4A—H4A	119.5	C3F—C2F—H2F	121.7
C3A—C4A—H4A	119.5	C1F—C2F—H2F	121.7
C4A—C5A—C6A	119.2 (4)	C2F—C3F—C4F	121.7 (4)
C4A—C5A—H5A	120.4	C2F—C3F—H3F	119.1
C6A—C5A—H5A	120.4	C4F—C3F—H3F	119.1
C5A—C6A—C1A	119.2 (4)	C5F—C4F—C3F	121.1 (4)
C5A—C6A—C7A	133.7 (4)	C5F—C4F—H4F	119.4
C1A—C6A—C7A	107.0 (4)	C3F—C4F—H4F	119.4
C8A—C7A—C12A	119.7 (4)	C4F—C5F—C6F	118.7 (3)
C8A—C7A—C6A	133.0 (4)	C4F—C5F—H5F	120.6
C12A—C7A—C6A	107.1 (3)	C6F—C5F—H5F	120.6
C9A—C8A—C7A	119.6 (4)	C5F—C6F—C1F	119.1 (4)
C9A—C8A—H8A	120.2	C5F—C6F—C7F	133.4 (3)
C7A—C8A—H8A	120.2	C1F—C6F—C7F	107.5 (3)
C8A—C9A—C10A	120.1 (4)	C8F—C7F—C12F	119.7 (4)
C8A—C9A—H9A	120.0	C8F—C7F—C6F	133.2 (3)
C10A—C9A—H9A	120.0	C12F—C7F—C6F	107.0 (3)
C11A—C10A—C9A	121.4 (4)	C9F—C8F—C7F	119.0 (4)
C11A—C10A—H10A	119.3	C9F—C8F—H8F	120.5
C9A—C10A—H10A	119.3	C7F—C8F—H8F	120.5
C10A—C11A—C12A	117.8 (4)	C8F—C9F—C10F	120.6 (4)
C10A—C11A—H11A	121.1	C8F—C9F—H9F	119.7
C12A—C11A—H11A	121.1	C10F—C9F—H9F	119.7
C11A—C12A—N1A	129.5 (4)	C11F—C10F—C9F	121.9 (4)
C11A—C12A—C7A	121.4 (4)	C11F—C10F—H10F	119.0
N1A—C12A—C7A	109.1 (3)	C9F—C10F—H10F	119.0
C12A—N1A—C1A	107.9 (3)	C10F—C11F—C12F	117.2 (4)
C12A—N1A—C13A	126.1 (3)	C10F—C11F—H11F	121.4
C1A—N1A—C13A	125.9 (3)	C12F—C11F—H11F	121.4
C18A—C13A—C14A	119.9 (3)	C11F—C12F—N1F	129.3 (3)
C18A—C13A—N1A	119.4 (3)	C11F—C12F—C7F	121.6 (4)
C14A—C13A—N1A	120.8 (3)	N1F—C12F—C7F	109.1 (3)
C15A—C14A—C13A	119.8 (3)	C12F—N1F—C1F	107.9 (3)
C15A—C14A—H14A	120.1	C12F—N1F—C13F	126.3 (3)
C13A—C14A—H14A	120.1	C1F—N1F—C13F	124.5 (3)
C14A—C15A—C16A	120.5 (3)	C14F—C13F—C18F	120.8 (3)
C14A—C15A—H15A	119.8	C14F—C13F—N1F	120.0 (3)
C16A—C15A—H15A	119.8	C18F—C13F—N1F	119.2 (3)
C17A—C16A—C15A	119.3 (3)	C15F—C14F—C13F	120.1 (3)
C17A—C16A—C19A	117.8 (3)	C15F—C14F—H14F	120.0
C15A—C16A—C19A	122.9 (3)	C13F—C14F—H14F	120.0
C18A—C17A—C16A	120.6 (3)	C14F—C15F—C16F	120.2 (3)
C18A—C17A—H17A	119.7	C14F—C15F—H15F	119.9
C16A—C17A—H17A	119.7	C16F—C15F—H15F	119.9
C17A—C18A—C13A	119.9 (3)	C17F—C16F—C15F	119.7 (3)
C17A—C18A—H18A	120.0	C17F—C16F—C19F	122.5 (3)
C13A—C18A—H18A	120.0	C15F—C16F—C19F	117.8 (3)
O2A—C19A—O1A	124.0 (4)	C16F—C17F—C18F	120.2 (3)
O2A—C19A—C16A	123.2 (3)	C16F—C17F—H17F	119.9
O1A—C19A—C16A	112.9 (3)	C18F—C17F—H17F	119.9
C19A—O1A—C20A	115.1 (3)	C13F—C18F—C17F	119.1 (3)
C19A—O1A—C20K	114 (3)	C13F—C18F—H18F	120.5
O1A—C20A—C21A	106.3 (4)	C17F—C18F—H18F	120.5
O1A—C20A—H20A	110.5	O2F—C19F—O1F	123.5 (3)
C21A—C20A—H20A	110.5	O2F—C19F—C16F	123.6 (3)
O1A—C20A—H20B	110.5	O1F—C19F—C16F	112.9 (3)
C21A—C20A—H20B	110.5	C19F—O1F—C20F	115.0 (3)
H20A—C20A—H20B	108.7	O1F—C20F—C21F	107.3 (3)
C20A—C21A—H21A	109.5	O1F—C20F—H20L	110.2
C20A—C21A—H21B	109.5	C21F—C20F—H20L	110.2
H21A—C21A—H21B	109.5	O1F—C20F—H20M	110.2
C20A—C21A—H21C	109.5	C21F—C20F—H20M	110.2
H21A—C21A—H21C	109.5	H20L—C20F—H20M	108.5
H21B—C21A—H21C	109.5	C20F—C21F—H21P	109.5
O1A—C20K—C21K	96 (5)	C20F—C21F—H21Q	109.5
O1A—C20K—H20V	112.6	H21P—C21F—H21Q	109.5
C21K—C20K—H20V	112.6	C20F—C21F—H21R	109.5
O1A—C20K—H20W	112.6	H21P—C21F—H21R	109.5
C21K—C20K—H20W	112.6	H21Q—C21F—H21R	109.5
H20V—C20K—H20W	110.1	C2G—C1G—N1G	129.9 (4)
C20K—C21K—H214	109.5	C2G—C1G—C6G	121.4 (4)
C20K—C21K—H215	109.5	N1G—C1G—C6G	108.6 (4)
H214—C21K—H215	109.5	C3G—C2G—C1G	117.0 (4)
C20K—C21K—H216	109.5	C3G—C2G—H2G	121.5
H214—C21K—H216	109.5	C1G—C2G—H2G	121.5
H215—C21K—H216	109.5	C2G—C3G—C4G	122.2 (5)
N1B—C1B—C2B	130.1 (4)	C2G—C3G—H3G	118.9
N1B—C1B—C6B	108.8 (3)	C4G—C3G—H3G	118.9
C2B—C1B—C6B	121.1 (4)	C5G—C4G—C3G	120.6 (4)
C3B—C2B—C1B	117.6 (4)	C5G—C4G—H4G	119.7
C3B—C2B—H2B	121.2	C3G—C4G—H4G	119.7
C1B—C2B—H2B	121.2	C4G—C5G—C6G	119.3 (4)
C2B—C3B—C4B	121.7 (4)	C4G—C5G—H5G	120.3
C2B—C3B—H3B	119.2	C6G—C5G—H5G	120.3
C4B—C3B—H3B	119.2	C5G—C6G—C1G	119.4 (5)
C5B—C4B—C3B	120.1 (4)	C5G—C6G—C7G	133.5 (4)
C5B—C4B—H4B	120.0	C1G—C6G—C7G	107.1 (4)
C3B—C4B—H4B	120.0	C8G—C7G—C12G	119.0 (5)
C6B—C5B—C4B	119.0 (4)	C8G—C7G—C6G	133.5 (4)
C6B—C5B—H5B	120.5	C12G—C7G—C6G	107.4 (3)
C4B—C5B—H5B	120.5	C9G—C8G—C7G	119.0 (4)
C5B—C6B—C1B	120.5 (4)	C9G—C8G—H8G	120.5
C5B—C6B—C7B	132.5 (4)	C7G—C8G—H8G	120.5
C1B—C6B—C7B	106.9 (3)	C8G—C9G—C10G	121.2 (4)
C8B—C7B—C12B	120.0 (3)	C8G—C9G—H9G	119.4
C8B—C7B—C6B	133.2 (3)	C10G—C9G—H9G	119.4
C12B—C7B—C6B	106.8 (3)	C11G—C10G—C9G	121.8 (5)
C9B—C8B—C7B	118.1 (4)	C11G—C10G—H10G	119.1
C9B—C8B—H8B	121.0	C9G—C10G—H10G	119.1
C7B—C8B—H8B	121.0	C10G—C11G—C12G	116.8 (4)
C10B—C9B—C8B	121.2 (4)	C10G—C11G—H11G	121.6
C10B—C9B—H9B	119.4	C12G—C11G—H11G	121.6
C8B—C9B—H9B	119.4	N1G—C12G—C11G	129.3 (4)
C11B—C10B—C9B	122.3 (4)	N1G—C12G—C7G	108.5 (4)
C11B—C10B—H10B	118.8	C11G—C12G—C7G	122.2 (4)
C9B—C10B—H10B	118.8	C1G—N1G—C12G	108.4 (3)
C10B—C11B—C12B	116.5 (3)	C1G—N1G—C13G	125.6 (3)
C10B—C11B—H11B	121.8	C12G—N1G—C13G	126.0 (4)
C12B—C11B—H11B	121.8	C18G—C13G—C14G	120.6 (3)
N1B—C12B—C7B	108.9 (3)	C18G—C13G—N1G	119.2 (3)
N1B—C12B—C11B	129.2 (3)	C14G—C13G—N1G	120.3 (3)
C7B—C12B—C11B	121.9 (4)	C15G—C14G—C13G	119.8 (3)
C1B—N1B—C12B	108.6 (3)	C15G—C14G—H14G	120.1
C1B—N1B—C13B	126.1 (3)	C13G—C14G—H14G	120.1
C12B—N1B—C13B	124.2 (3)	C14G—C15G—C16G	120.0 (3)
C1B—N1B—C13L	104.1 (18)	C14G—C15G—H15G	120.0
C12B—N1B—C13L	146.6 (19)	C16G—C15G—H15G	120.0
C18B—C13B—C14B	120.5 (3)	C17G—C16G—C15G	119.2 (3)
C18B—C13B—N1B	119.4 (3)	C17G—C16G—C19G	117.9 (3)
C14B—C13B—N1B	120.1 (3)	C15G—C16G—C19G	122.8 (3)
C15B—C14B—C13B	119.9 (3)	C18G—C17G—C16G	120.9 (4)
C15B—C14B—H14B	120.1	C18G—C17G—H17G	119.5
C13B—C14B—H14B	120.1	C16G—C17G—H17G	119.5
C14B—C15B—C16B	119.5 (4)	C17G—C18G—C13G	119.4 (3)
C14B—C15B—H15B	120.2	C17G—C18G—H18G	120.3
C16B—C15B—H15B	120.2	C13G—C18G—H18G	120.3
C17B—C16B—C15B	120.2 (4)	O2G—C19G—O1G	122.3 (3)
C17B—C16B—C19B	117.7 (3)	O2G—C19G—C16G	124.3 (3)
C15B—C16B—C19B	122.2 (4)	O1G—C19G—C16G	113.4 (3)
C16B—C17B—C18B	120.1 (4)	C19G—O1G—C20G	116.2 (3)
C16B—C17B—H17B	119.9	O1G—C20G—C21G	107.1 (3)
C18B—C17B—H17B	119.9	O1G—C20G—H20N	110.3
C17B—C18B—C13B	119.8 (4)	C21G—C20G—H20N	110.3
C17B—C18B—H18B	120.1	O1G—C20G—H20O	110.3
C13B—C18B—H18B	120.1	C21G—C20G—H20O	110.3
O2B—C19B—O1B	123.5 (4)	H20N—C20G—H20O	108.5
O2B—C19B—C16B	123.7 (4)	C20G—C21G—H21S	109.5
O1B—C19B—C16B	112.8 (3)	C20G—C21G—H21T	109.5
C19B—O1B—C20B	114.5 (3)	H21S—C21G—H21T	109.5
O1B—C20B—C21B	107.0 (3)	C20G—C21G—H21U	109.5
O1B—C20B—H20C	110.3	H21S—C21G—H21U	109.5
C21B—C20B—H20C	110.3	H21T—C21G—H21U	109.5
O1B—C20B—H20D	110.3	C2H—C1H—N1H	130.5 (3)
C21B—C20B—H20D	110.3	C2H—C1H—C6H	121.9 (4)
H20C—C20B—H20D	108.6	N1H—C1H—C6H	107.5 (4)
C20B—C21B—H21D	109.5	C3H—C2H—C1H	117.9 (4)
C20B—C21B—H21E	109.5	C3H—C2H—H2H	121.1
H21D—C21B—H21E	109.5	C1H—C2H—H2H	121.1
C20B—C21B—H21F	109.5	C2H—C3H—C4H	120.7 (5)
H21D—C21B—H21F	109.5	C2H—C3H—H3H	119.6
H21E—C21B—H21F	109.5	C4H—C3H—H3H	119.6
C18L—C13L—C14L	117.6 (18)	C5H—C4H—C3H	121.4 (4)
C18L—C13L—N1B	113 (2)	C5H—C4H—H4H	119.3
C14L—C13L—N1B	129 (2)	C3H—C4H—H4H	119.3
C15L—C14L—C13L	119 (2)	C4H—C5H—C6H	119.5 (4)
C15L—C14L—H14L	120.6	C4H—C5H—H5H	120.2
C13L—C14L—H14L	120.6	C6H—C5H—H5H	120.2
C14L—C15L—C16L	123 (2)	C5H—C6H—C1H	118.4 (4)
C14L—C15L—H15L	118.6	C5H—C6H—C7H	133.3 (4)
C16L—C15L—H15L	118.6	C1H—C6H—C7H	108.3 (4)
C17L—C16L—C15L	117.7 (18)	C8H—C7H—C12H	119.8 (4)
C17L—C16L—C19L	120.4 (19)	C8H—C7H—C6H	134.1 (4)
C15L—C16L—C19L	122.0 (19)	C12H—C7H—C6H	106.0 (4)
C16L—C17L—C18L	120 (2)	C9H—C8H—C7H	119.7 (4)
C16L—C17L—H17L	120.1	C9H—C8H—H8H	120.2
C18L—C17L—H17L	120.1	C7H—C8H—H8H	120.2
C13L—C18L—C17L	123 (2)	C8H—C9H—C10H	120.2 (5)
C13L—C18L—H18L	118.7	C8H—C9H—H9H	119.9
C17L—C18L—H18L	118.7	C10H—C9H—H9H	119.9
O2L—C19L—O1L	125 (2)	C11H—C10H—C9H	121.4 (5)
O2L—C19L—C16L	122 (2)	C11H—C10H—H10H	119.3
O1L—C19L—C16L	112 (2)	C9H—C10H—H10H	119.3
C19L—O1L—C20L	118 (3)	C10H—C11H—C12H	118.7 (4)
O1L—C20L—C21L	106 (3)	C10H—C11H—H11H	120.7
O1L—C20L—H20X	110.5	C12H—C11H—H11H	120.7
C21L—C20L—H20X	110.5	C11H—C12H—N1H	130.2 (4)
O1L—C20L—H20Y	110.4	C11H—C12H—C7H	120.3 (4)
C21L—C20L—H20Y	110.4	N1H—C12H—C7H	109.4 (4)
H20X—C20L—H20Y	108.6	C1H—N1H—C12H	108.7 (3)
C20L—C21L—H217	109.5	C1H—N1H—C13H	125.4 (4)
C20L—C21L—H218	109.5	C12H—N1H—C13H	125.7 (4)
H217—C21L—H218	109.5	C18H—C13H—C14H	120.0 (3)
C20L—C21L—H219	109.5	C18H—C13H—N1H	120.4 (3)
H217—C21L—H219	109.5	C14H—C13H—N1H	119.5 (3)
H218—C21L—H219	109.5	C15H—C14H—C13H	119.6 (4)
C2C—C1C—C6C	121.7 (5)	C15H—C14H—H14H	120.2
C2C—C1C—N1C	129.9 (5)	C13H—C14H—H14H	120.2
C6C—C1C—N1C	108.4 (4)	C14H—C15H—C16H	120.5 (4)
C1C—C2C—C3C	118.1 (5)	C14H—C15H—H15H	119.7
C1C—C2C—H2C	121.0	C16H—C15H—H15H	119.7
C3C—C2C—H2C	121.0	C15H—C16H—C17H	119.7 (3)
C2C—C3C—C4C	120.7 (5)	C15H—C16H—C19H	117.7 (3)
C2C—C3C—H3C	119.7	C17H—C16H—C19H	122.6 (4)
C4C—C3C—H3C	119.7	C18H—C17H—C16H	120.1 (4)
C5C—C4C—C3C	121.1 (5)	C18H—C17H—H17H	120.0
C5C—C4C—H4C	119.5	C16H—C17H—H17H	120.0
C3C—C4C—H4C	119.5	C13H—C18H—C17H	119.9 (4)
C4C—C5C—C6C	118.2 (4)	C13H—C18H—H18H	120.0
C4C—C5C—H5C	120.9	C17H—C18H—H18H	120.0
C6C—C5C—H5C	120.9	O2H—C19H—O1H	123.3 (3)
C1C—C6C—C5C	120.2 (5)	O2H—C19H—C16H	123.7 (4)
C1C—C6C—C7C	107.6 (4)	O1H—C19H—C16H	112.9 (3)
C5C—C6C—C7C	132.2 (5)	C19H—O1H—C20H	114.9 (3)
C8C—C7C—C12C	119.9 (5)	O1H—C20H—C21H	107.6 (3)
C8C—C7C—C6C	133.0 (5)	O1H—C20H—H20P	110.2
C12C—C7C—C6C	107.1 (4)	C21H—C20H—H20P	110.2
C9C—C8C—C7C	119.3 (5)	O1H—C20H—H20Q	110.2
C9C—C8C—H8C	120.4	C21H—C20H—H20Q	110.2
C7C—C8C—H8C	120.4	H20P—C20H—H20Q	108.5
C8C—C9C—C10C	120.5 (5)	C20H—C21H—H21V	109.5
C8C—C9C—H9C	119.8	C20H—C21H—H21W	109.5
C10C—C9C—H9C	119.8	H21V—C21H—H21W	109.5
C11C—C10C—C9C	121.9 (5)	C20H—C21H—H21X	109.5
C11C—C10C—H10C	119.0	H21V—C21H—H21X	109.5
C9C—C10C—H10C	119.0	H21W—C21H—H21X	109.5
C10C—C11C—C12C	117.8 (5)	C2I—C1I—N1I	130.1 (4)
C10C—C11C—H11C	121.1	C2I—C1I—C6I	121.3 (4)
C12C—C11C—H11C	121.1	N1I—C1I—C6I	108.5 (4)
N1C—C12C—C7C	108.4 (5)	C3I—C2I—C1I	118.1 (4)
N1C—C12C—C11C	131.0 (5)	C3I—C2I—H2I	120.9
C7C—C12C—C11C	120.6 (5)	C1I—C2I—H2I	120.9
C12C—N1C—C13C	125.7 (5)	C2I—C3I—C4I	121.0 (5)
C12C—N1C—C1C	108.5 (4)	C2I—C3I—H3I	119.5
C13C—N1C—C1C	125.6 (4)	C4I—C3I—H3I	119.5
C18C—C13C—C14C	120.2 (4)	C5I—C4I—C3I	121.1 (5)
C18C—C13C—N1C	119.3 (4)	C5I—C4I—H4I	119.5
C14C—C13C—N1C	120.5 (5)	C3I—C4I—H4I	119.5
C15C—C14C—C13C	119.4 (5)	C4I—C5I—C6I	119.6 (5)
C15C—C14C—H14C	120.3	C4I—C5I—H5I	120.2
C13C—C14C—H14C	120.3	C6I—C5I—H5I	120.2
C14C—C15C—C16C	120.7 (4)	C5I—C6I—C7I	134.5 (5)
C14C—C15C—H15C	119.7	C5I—C6I—C1I	118.7 (5)
C16C—C15C—H15C	119.7	C7I—C6I—C1I	106.7 (4)
C15C—C16C—C17C	119.7 (4)	C12I—C7I—C8I	119.7 (5)
C15C—C16C—C19C	118.7 (4)	C12I—C7I—C6I	106.6 (4)
C17C—C16C—C19C	121.6 (4)	C8I—C7I—C6I	133.7 (5)
C16C—C17C—C18C	119.6 (5)	C9I—C8I—C7I	118.0 (6)
C16C—C17C—H17C	120.2	C9I—C8I—H8I	121.0
C18C—C17C—H17C	120.2	C7I—C8I—H8I	121.0
C13C—C18C—C17C	120.3 (5)	C10I—C9I—C8I	121.3 (5)
C13C—C18C—H18C	119.8	C10I—C9I—H9I	119.3
C17C—C18C—H18C	119.8	C8I—C9I—H9I	119.3
O2C—C19C—O1C	124.0 (4)	C9I—C10I—C11I	122.9 (5)
O2C—C19C—C16C	123.0 (5)	C9I—C10I—H10I	118.5
O1C—C19C—C16C	113.0 (4)	C11I—C10I—H10I	118.5
C19C—O1C—C20C	117.5 (4)	C10I—C11I—C12I	115.6 (5)
O1C—C20C—C21C	111.4 (4)	C10I—C11I—H11I	122.2
O1C—C20C—H20E	109.3	C12I—C11I—H11I	122.2
C21C—C20C—H20E	109.3	N1I—C12I—C11I	127.6 (5)
O1C—C20C—H20F	109.3	N1I—C12I—C7I	109.9 (4)
C21C—C20C—H20F	109.3	C11I—C12I—C7I	122.4 (5)
H20E—C20C—H20F	108.0	C12I—N1I—C1I	108.2 (4)
C20C—C21C—H21G	109.5	C12I—N1I—C13I	127.3 (4)
C20C—C21C—H21H	109.5	C1I—N1I—C13I	124.5 (4)
H21G—C21C—H21H	109.5	C18I—C13I—C14I	121.3 (4)
C20C—C21C—H21I	109.5	C18I—C13I—N1I	120.2 (4)
H21G—C21C—H21I	109.5	C14I—C13I—N1I	118.4 (4)
H21H—C21C—H21I	109.5	C15I—C14I—C13I	118.5 (4)
C6M—C1M—C2M	121.8 (16)	C15I—C14I—H14I	120.8
C6M—C1M—N1M	109.1 (13)	C13I—C14I—H14I	120.8
C2M—C1M—N1M	129.0 (17)	C14I—C15I—C16I	120.3 (4)
C3M—C2M—C1M	116.5 (18)	C14I—C15I—H15I	119.9
C3M—C2M—H2M	121.8	C16I—C15I—H15I	119.9
C1M—C2M—H2M	121.8	C17I—C16I—C15I	120.1 (4)
C2M—C3M—C4M	123.6 (19)	C17I—C16I—C19I	121.4 (4)
C2M—C3M—H3M	118.2	C15I—C16I—C19I	118.4 (4)
C4M—C3M—H3M	118.2	C18I—C17I—C16I	120.5 (4)
C5M—C4M—C3M	119 (2)	C18I—C17I—H17I	119.7
C5M—C4M—H4M	120.7	C16I—C17I—H17I	119.7
C3M—C4M—H4M	120.7	C17I—C18I—C13I	119.2 (5)
C4M—C5M—C6M	118.3 (19)	C17I—C18I—H18I	120.4
C4M—C5M—H5M	120.8	C13I—C18I—H18I	120.4
C6M—C5M—H5M	120.8	O2I—C19I—O1I	124.0 (4)
C1M—C6M—C5M	121.0 (16)	O2I—C19I—C16I	124.1 (4)
C1M—C6M—C7M	107.6 (14)	O1I—C19I—C16I	111.9 (4)
C5M—C6M—C7M	131.5 (18)	C19I—O1I—C20I	115.5 (4)
C8M—C7M—C12M	122.1 (17)	O1I—C20I—C21I	104.7 (5)
C8M—C7M—C6M	131.4 (18)	O1I—C20I—H20R	110.8
C12M—C7M—C6M	106.4 (15)	C21I—C20I—H20R	110.8
C9M—C8M—C7M	119 (2)	O1I—C20I—H20S	110.8
C9M—C8M—H8M	120.5	C21I—C20I—H20S	110.8
C7M—C8M—H8M	120.5	H20R—C20I—H20S	108.9
C8M—C9M—C10M	119 (2)	C20I—C21I—H21Y	109.5
C8M—C9M—H9M	120.4	C20I—C21I—H21Z	109.5
C10M—C9M—H9M	120.4	H21Y—C21I—H21Z	109.5
C11M—C10M—C9M	124 (2)	C20I—C21I—H210	109.5
C11M—C10M—H10M	118.2	H21Y—C21I—H210	109.5
C9M—C10M—H10M	118.2	H21Z—C21I—H210	109.5
C10M—C11M—C12M	117 (2)	C2N—C1N—N1N	128.5 (18)
C10M—C11M—H11M	121.4	C2N—C1N—C6N	117.0 (17)
C12M—C11M—H11M	121.4	N1N—C1N—C6N	114.0 (17)
N1M—C12M—C7M	108.4 (16)	C1N—C2N—C3N	121 (2)
N1M—C12M—C11M	133 (2)	C1N—C2N—H2N	119.3
C7M—C12M—C11M	118.3 (16)	C3N—C2N—H2N	119.3
C12M—N1M—C13M	127.1 (17)	C2N—C3N—C4N	123 (2)
C12M—N1M—C1M	107.6 (14)	C2N—C3N—H3N	118.6
C13M—N1M—C1M	124.7 (17)	C4N—C3N—H3N	118.6
C18M—C13M—C14M	119.5 (16)	C5N—C4N—C3N	117 (2)
C18M—C13M—N1M	118.1 (16)	C5N—C4N—H4N	121.4
C14M—C13M—N1M	122.4 (17)	C3N—C4N—H4N	121.4
C13M—C14M—C15M	119.1 (17)	C4N—C5N—C6N	121 (2)
C13M—C14M—H14M	120.4	C4N—C5N—H5N	119.7
C15M—C14M—H14M	120.4	C6N—C5N—H5N	119.7
C14M—C15M—C16M	120.6 (16)	C5N—C6N—C1N	120.7 (19)
C14M—C15M—H15M	119.7	C5N—C6N—C7N	134 (2)
C16M—C15M—H15M	119.7	C1N—C6N—C7N	104.5 (15)
C17M—C16M—C15M	120.6 (15)	C8N—C7N—C6N	129 (2)
C17M—C16M—C19M	119.4 (15)	C8N—C7N—C12N	124.4 (18)
C15M—C16M—C19M	119.9 (14)	C6N—C7N—C12N	106.0 (15)
C16M—C17M—C18M	117.6 (18)	C9N—C8N—C7N	122 (2)
C16M—C17M—H17M	121.2	C9N—C8N—H8N	118.8
C18M—C17M—H17M	121.2	C7N—C8N—H8N	118.8
C13M—C18M—C17M	122.1 (18)	C8N—C9N—C10N	112 (2)
C13M—C18M—H18M	118.9	C8N—C9N—H9N	123.9
C17M—C18M—H18M	118.9	C10N—C9N—H9N	123.9
O2M—C19M—O1M	126.4 (16)	C11N—C10N—C9N	125 (2)
O2M—C19M—C16M	121.3 (16)	C11N—C10N—H10N	117.7
O1M—C19M—C16M	111.1 (15)	C9N—C10N—H10N	117.7
C19M—O1M—C20M	117.9 (16)	C10N—C11N—C12N	123 (2)
O1M—C20M—C21M	109.9 (19)	C10N—C11N—H11N	118.3
O1M—C20M—H20Z	109.7	C12N—C11N—H11N	118.3
C21M—C20M—H20Z	109.7	N1N—C12N—C11N	137 (2)
O1M—C20M—H201	109.7	N1N—C12N—C7N	112.2 (15)
C21M—C20M—H201	109.7	C11N—C12N—C7N	110.9 (17)
H20Z—C20M—H201	108.2	C1N—N1N—C12N	102.0 (14)
C20M—C21M—H220	109.5	C1N—N1N—C13N	121.0 (16)
C20M—C21M—H221	109.5	C12N—N1N—C13N	136.1 (17)
H220—C21M—H221	109.5	C18N—C13N—C14N	116 (2)
C20M—C21M—H222	109.5	C18N—C13N—N1N	96.7 (16)
H220—C21M—H222	109.5	C14N—C13N—N1N	89.7 (15)
H221—C21M—H222	109.5	C15N—C14N—C13N	105.2 (16)
C2D—C1D—N1D	128.8 (4)	C15N—C14N—H14N	127.4
C2D—C1D—C6D	121.4 (4)	C13N—C14N—H14N	127.4
N1D—C1D—C6D	109.8 (4)	C16N—C15N—C14N	115.6 (17)
C1D—C2D—C3D	117.7 (4)	C16N—C15N—H15N	122.2
C1D—C2D—H2D	121.1	C14N—C15N—H15N	122.2
C3D—C2D—H2D	121.1	C15N—C16N—C17N	123.7 (16)
C4D—C3D—C2D	121.2 (4)	C15N—C16N—C19N	120.7 (16)
C4D—C3D—H3D	119.4	C17N—C16N—C19N	114.1 (15)
C2D—C3D—H3D	119.4	C18N—C17N—C16N	119.4 (17)
C5D—C4D—C3D	120.7 (4)	C18N—C17N—H17N	120.3
C5D—C4D—H4D	119.7	C16N—C17N—H17N	120.3
C3D—C4D—H4D	119.7	C13N—C18N—C17N	102.2 (18)
C6D—C5D—C4D	118.8 (5)	C13N—C18N—H18N	128.9
C6D—C5D—H5D	120.6	C17N—C18N—H18N	128.9
C4D—C5D—H5D	120.6	O2N—C19N—O1N	120.6 (18)
C5D—C6D—C1D	120.1 (4)	O2N—C19N—C16N	124.6 (17)
C5D—C6D—C7D	133.6 (5)	O1N—C19N—C16N	114.2 (16)
C1D—C6D—C7D	106.2 (4)	C19N—O1N—C20N	111 (2)
C12D—C7D—C8D	118.6 (4)	C21N—C20N—O1N	94.2 (17)
C12D—C7D—C6D	107.5 (4)	C21N—C20N—H202	112.9
C8D—C7D—C6D	133.8 (4)	O1N—C20N—H202	112.9
C9D—C8D—C7D	119.4 (5)	C21N—C20N—H203	112.9
C9D—C8D—H8D	120.3	O1N—C20N—H203	112.9
C7D—C8D—H8D	120.3	H202—C20N—H203	110.3
C10D—C9D—C8D	120.6 (5)	C20N—C21N—H223	109.5
C10D—C9D—H9D	119.7	C20N—C21N—H224	109.5
C8D—C9D—H9D	119.7	H223—C21N—H224	109.5
C9D—C10D—C11D	122.2 (5)	C20N—C21N—H225	109.5
C9D—C10D—H10D	118.9	H223—C21N—H225	109.5
C11D—C10D—H10D	118.9	H224—C21N—H225	109.5
C12D—C11D—C10D	116.3 (4)	C2J—C1J—N1J	130.0 (4)
C12D—C11D—H11D	121.8	C2J—C1J—C6J	122.2 (4)
C10D—C11D—H11D	121.8	N1J—C1J—C6J	107.8 (4)
C11D—C12D—C7D	122.8 (4)	C3J—C2J—C1J	116.5 (4)
C11D—C12D—N1D	128.5 (4)	C3J—C2J—H2J	121.7
C7D—C12D—N1D	108.8 (3)	C1J—C2J—H2J	121.7
C1D—N1D—C12D	107.8 (3)	C2J—C3J—C4J	123.2 (5)
C1D—N1D—C13D	126.2 (3)	C2J—C3J—H3J	118.4
C12D—N1D—C13D	125.6 (3)	C4J—C3J—H3J	118.4
C18D—C13D—C14D	119.4 (4)	C3J—C4J—C5J	121.1 (4)
C18D—C13D—N1D	121.1 (3)	C3J—C4J—H4J	119.5
C14D—C13D—N1D	119.4 (3)	C5J—C4J—H4J	119.5
C15D—C14D—C13D	119.7 (4)	C4J—C5J—C6J	117.4 (4)
C15D—C14D—H14D	120.2	C4J—C5J—H5J	121.3
C13D—C14D—H14D	120.2	C6J—C5J—H5J	121.3
C14D—C15D—C16D	120.7 (4)	C5J—C6J—C1J	119.7 (4)
C14D—C15D—H15D	119.7	C5J—C6J—C7J	132.0 (4)
C16D—C15D—H15D	119.7	C1J—C6J—C7J	108.3 (3)
C17D—C16D—C15D	119.5 (4)	C8J—C7J—C12J	120.1 (4)
C17D—C16D—C19D	122.4 (4)	C8J—C7J—C6J	133.9 (4)
C15D—C16D—C19D	118.0 (4)	C12J—C7J—C6J	105.9 (3)
C18D—C17D—C16D	120.1 (4)	C9J—C8J—C7J	119.1 (4)
C18D—C17D—H17D	119.9	C9J—C8J—H8J	120.4
C16D—C17D—H17D	119.9	C7J—C8J—H8J	120.4
C17D—C18D—C13D	120.6 (4)	C8J—C9J—C10J	120.3 (4)
C17D—C18D—H18D	119.7	C8J—C9J—H9J	119.8
C13D—C18D—H18D	119.7	C10J—C9J—H9J	119.8
O2D—C19D—O1D	124.3 (4)	C11J—C10J—C9J	121.9 (4)
O2D—C19D—C16D	123.6 (4)	C11J—C10J—H10J	119.0
O1D—C19D—C16D	112.0 (3)	C9J—C10J—H10J	119.0
C19D—O1D—C20D	116.3 (3)	C10J—C11J—C12J	117.0 (4)
O1D—C20D—C21D	107.0 (4)	C10J—C11J—H11J	121.5
O1D—C20D—H20G	110.3	C12J—C11J—H11J	121.5
C21D—C20D—H20G	110.3	C11J—C12J—N1J	129.5 (3)
O1D—C20D—H20H	110.3	C11J—C12J—C7J	121.4 (4)
C21D—C20D—H20H	110.3	N1J—C12J—C7J	109.1 (4)
H20G—C20D—H20H	108.6	C1J—N1J—C12J	108.8 (3)
C20D—C21D—H21J	109.5	C1J—N1J—C13J	125.8 (3)
C20D—C21D—H21K	109.5	C12J—N1J—C13J	125.3 (3)
H21J—C21D—H21K	109.5	C1J—N1J—C13O	111.3 (16)
C20D—C21D—H21L	109.5	C12J—N1J—C13O	139.4 (16)
H21J—C21D—H21L	109.5	C18J—C13J—C14J	119.2 (4)
H21K—C21D—H21L	109.5	C18J—C13J—N1J	119.7 (3)
C2E—C1E—N1E	129.8 (3)	C14J—C13J—N1J	121.1 (4)
C2E—C1E—C6E	121.4 (4)	C15J—C14J—C13J	121.2 (4)
N1E—C1E—C6E	108.7 (3)	C15J—C14J—H14J	119.4
C3E—C2E—C1E	117.6 (3)	C13J—C14J—H14J	119.4
C3E—C2E—H2E	121.2	C14J—C15J—C16J	120.4 (4)
C1E—C2E—H2E	121.2	C14J—C15J—H15J	119.8
C2E—C3E—C4E	121.5 (4)	C16J—C15J—H15J	119.8
C2E—C3E—H3E	119.3	C15J—C16J—C17J	119.3 (3)
C4E—C3E—H3E	119.3	C15J—C16J—C19J	123.3 (4)
C5E—C4E—C3E	120.6 (4)	C17J—C16J—C19J	117.4 (3)
C5E—C4E—H4E	119.7	C18J—C17J—C16J	119.7 (4)
C3E—C4E—H4E	119.7	C18J—C17J—H17J	120.1
C4E—C5E—C6E	118.6 (3)	C16J—C17J—H17J	120.1
C4E—C5E—H5E	120.7	C13J—C18J—C17J	120.0 (3)
C6E—C5E—H5E	120.7	C13J—C18J—H18J	120.0
C5E—C6E—C1E	120.2 (4)	C17J—C18J—H18J	120.0
C5E—C6E—C7E	132.8 (3)	O2J—C19J—O1J	123.8 (4)
C1E—C6E—C7E	107.0 (3)	O2J—C19J—C16J	124.7 (4)
C8E—C7E—C12E	120.8 (4)	O1J—C19J—C16J	111.4 (4)
C8E—C7E—C6E	132.4 (4)	C19J—O1J—C20J	115.8 (4)
C12E—C7E—C6E	106.7 (3)	O1J—C20J—C21J	109.5 (4)
C9E—C8E—C7E	118.6 (4)	O1J—C20J—H20T	109.8
C9E—C8E—H8E	120.7	C21J—C20J—H20T	109.8
C7E—C8E—H8E	120.7	O1J—C20J—H20U	109.8
C8E—C9E—C10E	120.7 (4)	C21J—C20J—H20U	109.8
C8E—C9E—H9E	119.7	H20T—C20J—H20U	108.2
C10E—C9E—H9E	119.7	C20J—C21J—H211	109.5
C11E—C10E—C9E	121.6 (4)	C20J—C21J—H212	109.5
C11E—C10E—H10E	119.2	H211—C21J—H212	109.5
C9E—C10E—H10E	119.2	C20J—C21J—H213	109.5
C10E—C11E—C12E	117.6 (4)	H211—C21J—H213	109.5
C10E—C11E—H11E	121.2	H212—C21J—H213	109.5
C12E—C11E—H11E	121.2	C18O—C13O—C14O	127 (3)
N1E—C12E—C11E	130.4 (4)	C18O—C13O—N1J	113 (3)
N1E—C12E—C7E	108.9 (3)	C14O—C13O—N1J	104 (2)
C11E—C12E—C7E	120.6 (3)	C15O—C14O—C13O	110 (2)
C12E—N1E—C1E	108.6 (3)	C15O—C14O—H14O	125.1
C12E—N1E—C13E	125.6 (3)	C13O—C14O—H14O	125.1
C1E—N1E—C13E	124.9 (3)	C16O—C15O—C14O	116 (2)
C18E—C13E—C14E	120.2 (3)	C16O—C15O—H15O	121.8
C18E—C13E—N1E	120.5 (3)	C14O—C15O—H15O	121.8
C14E—C13E—N1E	119.3 (3)	C15O—C16O—C17O	118 (2)
C15E—C14E—C13E	120.1 (3)	C15O—C16O—C19O	114 (2)
C15E—C14E—H14E	120.0	C17O—C16O—C19O	123 (2)
C13E—C14E—H14E	120.0	C18O—C17O—C16O	113 (2)
C14E—C15E—C16E	120.0 (3)	C18O—C17O—H17O	123.3
C14E—C15E—H15E	120.0	C16O—C17O—H17O	123.3
C16E—C15E—H15E	120.0	C13O—C18O—C17O	112 (2)
C15E—C16E—C17E	120.1 (3)	C13O—C18O—H18O	124.1
C15E—C16E—C19E	117.1 (3)	C17O—C18O—H18O	124.1
C17E—C16E—C19E	122.7 (3)	O2O—C19O—O1O	106 (2)
C18E—C17E—C16E	119.7 (3)	O2O—C19O—C16O	121 (2)
C18E—C17E—H17E	120.1	O1O—C19O—C16O	113 (2)
C16E—C17E—H17E	120.1	C19O—O1O—C20O	117 (3)
C17E—C18E—C13E	119.8 (3)	O1O—C20O—C21O	116 (2)
C17E—C18E—H18E	120.1	O1O—C20O—H204	108.3
C13E—C18E—H18E	120.1	C21O—C20O—H204	108.3
O2E—C19E—O1E	122.7 (3)	O1O—C20O—H205	108.3
O2E—C19E—C16E	124.1 (3)	C21O—C20O—H205	108.3
O1E—C19E—C16E	113.1 (3)	H204—C20O—H205	107.4
C19E—O1E—C20E	114.8 (3)	C20O—C21O—H226	109.5
O1E—C20E—C21E	107.7 (3)	C20O—C21O—H227	109.5
O1E—C20E—H20I	110.2	H226—C21O—H227	109.5
C21E—C20E—H20I	110.2	C20O—C21O—H228	109.5
O1E—C20E—H20J	110.2	H226—C21O—H228	109.5
C21E—C20E—H20J	110.2	H227—C21O—H228	109.5
H20I—C20E—H20J	108.5
C6A—C1A—C2A—C3A	0.0 (6)	C19E—O1E—C20E—C21E	176.9 (3)
N1A—C1A—C2A—C3A	179.6 (4)	N1F—C1F—C2F—C3F	−179.9 (3)
C1A—C2A—C3A—C4A	−0.5 (7)	C6F—C1F—C2F—C3F	−2.6 (5)
C2A—C3A—C4A—C5A	−0.1 (7)	C1F—C2F—C3F—C4F	0.4 (5)
C3A—C4A—C5A—C6A	1.1 (7)	C2F—C3F—C4F—C5F	1.3 (6)
C4A—C5A—C6A—C1A	−1.5 (6)	C3F—C4F—C5F—C6F	−0.8 (5)
C4A—C5A—C6A—C7A	179.2 (5)	C4F—C5F—C6F—C1F	−1.3 (5)
C2A—C1A—C6A—C5A	1.0 (6)	C4F—C5F—C6F—C7F	179.4 (4)
N1A—C1A—C6A—C5A	−178.7 (4)	C2F—C1F—C6F—C5F	3.1 (5)
C2A—C1A—C6A—C7A	−179.5 (4)	N1F—C1F—C6F—C5F	−179.1 (3)
N1A—C1A—C6A—C7A	0.8 (4)	C2F—C1F—C6F—C7F	−177.4 (3)
C5A—C6A—C7A—C8A	−5.8 (8)	N1F—C1F—C6F—C7F	0.4 (4)
C1A—C6A—C7A—C8A	174.8 (4)	C5F—C6F—C7F—C8F	1.7 (7)
C5A—C6A—C7A—C12A	178.6 (4)	C1F—C6F—C7F—C8F	−177.7 (4)
C1A—C6A—C7A—C12A	−0.7 (4)	C5F—C6F—C7F—C12F	178.4 (4)
C12A—C7A—C8A—C9A	−1.5 (6)	C1F—C6F—C7F—C12F	−1.0 (4)
C6A—C7A—C8A—C9A	−176.6 (4)	C12F—C7F—C8F—C9F	−0.6 (6)
C7A—C8A—C9A—C10A	−0.5 (6)	C6F—C7F—C8F—C9F	175.7 (4)
C8A—C9A—C10A—C11A	1.4 (6)	C7F—C8F—C9F—C10F	0.2 (7)
C9A—C10A—C11A—C12A	−0.3 (6)	C8F—C9F—C10F—C11F	−0.1 (7)
C10A—C11A—C12A—N1A	176.4 (4)	C9F—C10F—C11F—C12F	0.3 (7)
C10A—C11A—C12A—C7A	−1.8 (6)	C10F—C11F—C12F—N1F	−177.7 (4)
C8A—C7A—C12A—C11A	2.7 (6)	C10F—C11F—C12F—C7F	−0.7 (6)
C6A—C7A—C12A—C11A	179.0 (4)	C8F—C7F—C12F—C11F	0.8 (6)
C8A—C7A—C12A—N1A	−175.8 (3)	C6F—C7F—C12F—C11F	−176.4 (4)
C6A—C7A—C12A—N1A	0.4 (4)	C8F—C7F—C12F—N1F	178.5 (3)
C11A—C12A—N1A—C1A	−178.3 (4)	C6F—C7F—C12F—N1F	1.2 (4)
C7A—C12A—N1A—C1A	0.1 (4)	C11F—C12F—N1F—C1F	176.4 (4)
C11A—C12A—N1A—C13A	3.2 (6)	C7F—C12F—N1F—C1F	−1.0 (4)
C7A—C12A—N1A—C13A	−178.5 (3)	C11F—C12F—N1F—C13F	8.9 (6)
C2A—C1A—N1A—C12A	179.8 (4)	C7F—C12F—N1F—C13F	−168.5 (3)
C6A—C1A—N1A—C12A	−0.5 (4)	C2F—C1F—N1F—C12F	178.0 (4)
C2A—C1A—N1A—C13A	−1.7 (7)	C6F—C1F—N1F—C12F	0.4 (4)
C6A—C1A—N1A—C13A	178.0 (3)	C2F—C1F—N1F—C13F	−14.2 (6)
C12A—N1A—C13A—C18A	45.7 (5)	C6F—C1F—N1F—C13F	168.1 (3)
C1A—N1A—C13A—C18A	−132.6 (4)	C12F—N1F—C13F—C14F	121.4 (4)
C12A—N1A—C13A—C14A	−132.6 (4)	C1F—N1F—C13F—C14F	−44.1 (5)
C1A—N1A—C13A—C14A	49.2 (5)	C12F—N1F—C13F—C18F	−59.3 (5)
C18A—C13A—C14A—C15A	3.0 (6)	C1F—N1F—C13F—C18F	135.2 (4)
N1A—C13A—C14A—C15A	−178.7 (3)	C18F—C13F—C14F—C15F	−0.7 (6)
C13A—C14A—C15A—C16A	−2.9 (6)	N1F—C13F—C14F—C15F	178.6 (4)
C14A—C15A—C16A—C17A	0.8 (6)	C13F—C14F—C15F—C16F	0.6 (6)
C14A—C15A—C16A—C19A	178.4 (3)	C14F—C15F—C16F—C17F	1.1 (6)
C15A—C16A—C17A—C18A	1.2 (6)	C14F—C15F—C16F—C19F	−178.1 (3)
C19A—C16A—C17A—C18A	−176.5 (3)	C15F—C16F—C17F—C18F	−2.8 (6)
C16A—C17A—C18A—C13A	−1.0 (6)	C19F—C16F—C17F—C18F	176.4 (4)
C14A—C13A—C18A—C17A	−1.1 (6)	C14F—C13F—C18F—C17F	−1.0 (6)
N1A—C13A—C18A—C17A	−179.3 (3)	N1F—C13F—C18F—C17F	179.7 (3)
C17A—C16A—C19A—O2A	−6.3 (6)	C16F—C17F—C18F—C13F	2.7 (6)
C15A—C16A—C19A—O2A	176.2 (4)	C17F—C16F—C19F—O2F	−169.7 (4)
C17A—C16A—C19A—O1A	173.5 (3)	C15F—C16F—C19F—O2F	9.5 (6)
C15A—C16A—C19A—O1A	−4.0 (5)	C17F—C16F—C19F—O1F	11.3 (5)
O2A—C19A—O1A—C20A	1.3 (6)	C15F—C16F—C19F—O1F	−169.5 (3)
C16A—C19A—O1A—C20A	−178.5 (3)	O2F—C19F—O1F—C20F	−2.9 (5)
O2A—C19A—O1A—C20K	26 (3)	C16F—C19F—O1F—C20F	176.1 (3)
C16A—C19A—O1A—C20K	−154 (3)	C19F—O1F—C20F—C21F	−177.0 (3)
C19A—O1A—C20A—C21A	−178.8 (4)	N1G—C1G—C2G—C3G	−178.8 (4)
C19A—O1A—C20K—C21K	−147 (3)	C6G—C1G—C2G—C3G	−1.7 (6)
N1B—C1B—C2B—C3B	178.5 (4)	C1G—C2G—C3G—C4G	1.2 (7)
C6B—C1B—C2B—C3B	−0.4 (6)	C2G—C3G—C4G—C5G	−0.6 (7)
C1B—C2B—C3B—C4B	1.6 (7)	C3G—C4G—C5G—C6G	0.4 (7)
C2B—C3B—C4B—C5B	−2.0 (7)	C4G—C5G—C6G—C1G	−0.8 (6)
C3B—C4B—C5B—C6B	1.2 (7)	C4G—C5G—C6G—C7G	−178.4 (4)
C4B—C5B—C6B—C1B	−0.1 (6)	C2G—C1G—C6G—C5G	1.5 (5)
C4B—C5B—C6B—C7B	−177.8 (4)	N1G—C1G—C6G—C5G	179.1 (3)
N1B—C1B—C6B—C5B	−179.4 (3)	C2G—C1G—C6G—C7G	179.6 (3)
C2B—C1B—C6B—C5B	−0.3 (6)	N1G—C1G—C6G—C7G	−2.7 (4)
N1B—C1B—C6B—C7B	−1.2 (4)	C5G—C6G—C7G—C8G	4.2 (7)
C2B—C1B—C6B—C7B	177.9 (3)	C1G—C6G—C7G—C8G	−173.6 (4)
C5B—C6B—C7B—C8B	−1.9 (7)	C5G—C6G—C7G—C12G	−179.1 (4)
C1B—C6B—C7B—C8B	−179.8 (4)	C1G—C6G—C7G—C12G	3.2 (4)
C5B—C6B—C7B—C12B	179.5 (4)	C12G—C7G—C8G—C9G	1.7 (5)
C1B—C6B—C7B—C12B	1.6 (4)	C6G—C7G—C8G—C9G	178.2 (4)
C12B—C7B—C8B—C9B	1.0 (5)	C7G—C8G—C9G—C10G	−0.1 (6)
C6B—C7B—C8B—C9B	−177.3 (4)	C8G—C9G—C10G—C11G	−0.8 (6)
C7B—C8B—C9B—C10B	0.8 (6)	C9G—C10G—C11G—C12G	−0.1 (6)
C8B—C9B—C10B—C11B	−1.7 (6)	C10G—C11G—C12G—N1G	−175.1 (4)
C9B—C10B—C11B—C12B	0.8 (6)	C10G—C11G—C12G—C7G	1.7 (6)
C8B—C7B—C12B—N1B	179.8 (3)	C8G—C7G—C12G—N1G	174.9 (3)
C6B—C7B—C12B—N1B	−1.4 (4)	C6G—C7G—C12G—N1G	−2.5 (4)
C8B—C7B—C12B—C11B	−2.0 (5)	C8G—C7G—C12G—C11G	−2.6 (5)
C6B—C7B—C12B—C11B	176.7 (3)	C6G—C7G—C12G—C11G	−179.9 (3)
C10B—C11B—C12B—N1B	178.9 (3)	C2G—C1G—N1G—C12G	178.6 (4)
C10B—C11B—C12B—C7B	1.1 (5)	C6G—C1G—N1G—C12G	1.2 (4)
C2B—C1B—N1B—C12B	−178.7 (4)	C2G—C1G—N1G—C13G	−0.8 (6)
C6B—C1B—N1B—C12B	0.3 (4)	C6G—C1G—N1G—C13G	−178.2 (3)
C2B—C1B—N1B—C13B	−10.5 (6)	C11G—C12G—N1G—C1G	178.0 (4)
C6B—C1B—N1B—C13B	168.5 (3)	C7G—C12G—N1G—C1G	0.8 (4)
C2B—C1B—N1B—C13L	7.8 (16)	C11G—C12G—N1G—C13G	−2.6 (6)
C6B—C1B—N1B—C13L	−173.2 (15)	C7G—C12G—N1G—C13G	−179.8 (3)
C7B—C12B—N1B—C1B	0.7 (4)	C1G—N1G—C13G—C18G	130.1 (4)
C11B—C12B—N1B—C1B	−177.3 (4)	C12G—N1G—C13G—C18G	−49.1 (5)
C7B—C12B—N1B—C13B	−167.7 (3)	C1G—N1G—C13G—C14G	−49.3 (5)
C11B—C12B—N1B—C13B	14.3 (6)	C12G—N1G—C13G—C14G	131.4 (4)
C7B—C12B—N1B—C13L	169 (2)	C18G—C13G—C14G—C15G	−1.3 (6)
C11B—C12B—N1B—C13L	−9 (2)	N1G—C13G—C14G—C15G	178.1 (4)
C1B—N1B—C13B—C18B	−118.1 (4)	C13G—C14G—C15G—C16G	0.4 (6)
C12B—N1B—C13B—C18B	48.3 (5)	C14G—C15G—C16G—C17G	1.9 (6)
C1B—N1B—C13B—C14B	61.3 (5)	C14G—C15G—C16G—C19G	−176.8 (4)
C12B—N1B—C13B—C14B	−132.3 (4)	C15G—C16G—C17G—C18G	−3.3 (6)
C18B—C13B—C14B—C15B	−1.3 (6)	C19G—C16G—C17G—C18G	175.5 (3)
N1B—C13B—C14B—C15B	179.4 (4)	C16G—C17G—C18G—C13G	2.3 (6)
C13B—C14B—C15B—C16B	−1.0 (6)	C14G—C13G—C18G—C17G	0.0 (6)
C14B—C15B—C16B—C17B	2.3 (6)	N1G—C13G—C18G—C17G	−179.5 (3)
C14B—C15B—C16B—C19B	−176.8 (4)	C17G—C16G—C19G—O2G	2.9 (6)
C15B—C16B—C17B—C18B	−1.1 (7)	C15G—C16G—C19G—O2G	−178.3 (4)
C19B—C16B—C17B—C18B	178.0 (4)	C17G—C16G—C19G—O1G	−174.7 (3)
C16B—C17B—C18B—C13B	−1.3 (7)	C15G—C16G—C19G—O1G	4.0 (5)
C14B—C13B—C18B—C17B	2.5 (6)	O2G—C19G—O1G—C20G	−1.5 (6)
N1B—C13B—C18B—C17B	−178.2 (4)	C16G—C19G—O1G—C20G	176.3 (3)
C17B—C16B—C19B—O2B	−9.6 (7)	C19G—O1G—C20G—C21G	177.6 (4)
C15B—C16B—C19B—O2B	169.4 (4)	N1H—C1H—C2H—C3H	178.6 (4)
C17B—C16B—C19B—O1B	172.2 (4)	C6H—C1H—C2H—C3H	−3.3 (6)
C15B—C16B—C19B—O1B	−8.8 (6)	C1H—C2H—C3H—C4H	0.6 (6)
O2B—C19B—O1B—C20B	3.7 (6)	C2H—C3H—C4H—C5H	2.5 (6)
C16B—C19B—O1B—C20B	−178.1 (3)	C3H—C4H—C5H—C6H	−2.9 (6)
C19B—O1B—C20B—C21B	171.9 (4)	C4H—C5H—C6H—C1H	0.2 (6)
C1B—N1B—C13L—C18L	−126 (4)	C4H—C5H—C6H—C7H	−178.0 (4)
C12B—N1B—C13L—C18L	65 (5)	C2H—C1H—C6H—C5H	3.0 (6)
C1B—N1B—C13L—C14L	54 (6)	N1H—C1H—C6H—C5H	−178.6 (3)
C12B—N1B—C13L—C14L	−115 (5)	C2H—C1H—C6H—C7H	−178.4 (3)
C18L—C13L—C14L—C15L	−4 (8)	N1H—C1H—C6H—C7H	0.0 (4)
N1B—C13L—C14L—C15L	175 (4)	C5H—C6H—C7H—C8H	−1.0 (8)
C13L—C14L—C15L—C16L	−2 (8)	C1H—C6H—C7H—C8H	−179.4 (4)
C14L—C15L—C16L—C17L	5 (8)	C5H—C6H—C7H—C12H	178.2 (4)
C14L—C15L—C16L—C19L	−175 (5)	C1H—C6H—C7H—C12H	−0.2 (4)
C15L—C16L—C17L—C18L	−1 (9)	C12H—C7H—C8H—C9H	−1.6 (6)
C19L—C16L—C17L—C18L	179 (5)	C6H—C7H—C8H—C9H	177.5 (4)
C14L—C13L—C18L—C17L	8 (8)	C7H—C8H—C9H—C10H	0.8 (7)
N1B—C13L—C18L—C17L	−171 (5)	C8H—C9H—C10H—C11H	−0.3 (7)
C16L—C17L—C18L—C13L	−5 (9)	C9H—C10H—C11H—C12H	0.8 (7)
C17L—C16L—C19L—O2L	166 (6)	C10H—C11H—C12H—N1H	−178.6 (4)
C15L—C16L—C19L—O2L	−14 (9)	C10H—C11H—C12H—C7H	−1.6 (6)
C17L—C16L—C19L—O1L	−1 (8)	C8H—C7H—C12H—C11H	2.0 (6)
C15L—C16L—C19L—O1L	179 (5)	C6H—C7H—C12H—C11H	−177.3 (4)
O2L—C19L—O1L—C20L	19 (9)	C8H—C7H—C12H—N1H	179.6 (3)
C16L—C19L—O1L—C20L	−175 (5)	C6H—C7H—C12H—N1H	0.3 (4)
C19L—O1L—C20L—C21L	179 (5)	C2H—C1H—N1H—C12H	178.4 (4)
C6C—C1C—C2C—C3C	1.6 (7)	C6H—C1H—N1H—C12H	0.2 (4)
N1C—C1C—C2C—C3C	−179.5 (5)	C2H—C1H—N1H—C13H	−6.2 (6)
C1C—C2C—C3C—C4C	−0.8 (8)	C6H—C1H—N1H—C13H	175.5 (3)
C2C—C3C—C4C—C5C	−1.0 (8)	C11H—C12H—N1H—C1H	177.0 (4)
C3C—C4C—C5C—C6C	1.9 (7)	C7H—C12H—N1H—C1H	−0.3 (4)
C2C—C1C—C6C—C5C	−0.7 (7)	C11H—C12H—N1H—C13H	1.6 (6)
N1C—C1C—C6C—C5C	−179.8 (4)	C7H—C12H—N1H—C13H	−175.7 (3)
C2C—C1C—C6C—C7C	179.9 (6)	C1H—N1H—C13H—C18H	138.0 (4)
N1C—C1C—C6C—C7C	0.8 (6)	C12H—N1H—C13H—C18H	−47.4 (6)
C4C—C5C—C6C—C1C	−1.1 (7)	C1H—N1H—C13H—C14H	−42.7 (6)
C4C—C5C—C6C—C7C	178.2 (7)	C12H—N1H—C13H—C14H	131.9 (4)
C1C—C6C—C7C—C8C	177.7 (9)	C18H—C13H—C14H—C15H	−1.2 (6)
C5C—C6C—C7C—C8C	−1.7 (15)	N1H—C13H—C14H—C15H	179.6 (4)
C1C—C6C—C7C—C12C	−0.1 (9)	C13H—C14H—C15H—C16H	1.5 (6)
C5C—C6C—C7C—C12C	−179.4 (7)	C14H—C15H—C16H—C17H	0.7 (6)
C12C—C7C—C8C—C9C	−0.9 (13)	C14H—C15H—C16H—C19H	179.5 (4)
C6C—C7C—C8C—C9C	−178.4 (9)	C15H—C16H—C17H—C18H	−3.4 (6)
C7C—C8C—C9C—C10C	0.1 (11)	C19H—C16H—C17H—C18H	177.9 (4)
C8C—C9C—C10C—C11C	1.4 (10)	C14H—C13H—C18H—C17H	−1.5 (6)
C9C—C10C—C11C—C12C	−1.9 (10)	N1H—C13H—C18H—C17H	177.8 (4)
C8C—C7C—C12C—N1C	−178.7 (8)	C16H—C17H—C18H—C13H	3.8 (6)
C6C—C7C—C12C—N1C	−0.6 (11)	C15H—C16H—C19H—O2H	11.9 (6)
C8C—C7C—C12C—C11C	0.3 (15)	C17H—C16H—C19H—O2H	−169.3 (4)
C6C—C7C—C12C—C11C	178.4 (8)	C15H—C16H—C19H—O1H	−168.0 (3)
C10C—C11C—C12C—N1C	179.9 (10)	C17H—C16H—C19H—O1H	10.7 (6)
C10C—C11C—C12C—C7C	1.1 (13)	O2H—C19H—O1H—C20H	−6.6 (6)
C7C—C12C—N1C—C13C	175.9 (7)	C16H—C19H—O1H—C20H	173.4 (3)
C11C—C12C—N1C—C13C	−3.0 (15)	C19H—O1H—C20H—C21H	−171.4 (3)
C7C—C12C—N1C—C1C	1.1 (10)	N1I—C1I—C2I—C3I	179.3 (5)
C11C—C12C—N1C—C1C	−177.8 (10)	C6I—C1I—C2I—C3I	0.2 (10)
C2C—C1C—N1C—C12C	179.8 (7)	C1I—C2I—C3I—C4I	−1.1 (7)
C6C—C1C—N1C—C12C	−1.2 (7)	C2I—C3I—C4I—C5I	1.1 (8)
C2C—C1C—N1C—C13C	5.1 (8)	C3I—C4I—C5I—C6I	−0.1 (11)
C6C—C1C—N1C—C13C	−175.9 (5)	C4I—C5I—C6I—C7I	−178.6 (14)
C12C—N1C—C13C—C18C	48.8 (9)	C4I—C5I—C6I—C1I	−0.8 (16)
C1C—N1C—C13C—C18C	−137.3 (6)	C2I—C1I—C6I—C5I	0.8 (16)
C12C—N1C—C13C—C14C	−132.3 (8)	N1I—C1I—C6I—C5I	−178.5 (10)
C1C—N1C—C13C—C14C	41.6 (8)	C2I—C1I—C6I—C7I	179.1 (7)
C18C—C13C—C14C—C15C	0.7 (8)	N1I—C1I—C6I—C7I	−0.2 (12)
N1C—C13C—C14C—C15C	−178.1 (5)	C5I—C6I—C7I—C12I	177.6 (14)
C13C—C14C—C15C—C16C	1.0 (8)	C1I—C6I—C7I—C12I	−0.3 (12)
C14C—C15C—C16C—C17C	−3.5 (8)	C5I—C6I—C7I—C8I	−1 (2)
C14C—C15C—C16C—C19C	175.7 (5)	C1I—C6I—C7I—C8I	−179.1 (10)
C15C—C16C—C17C—C18C	4.3 (8)	C12I—C7I—C8I—C9I	−4.3 (12)
C19C—C16C—C17C—C18C	−175.0 (5)	C6I—C7I—C8I—C9I	174.4 (12)
C14C—C13C—C18C—C17C	0.1 (8)	C7I—C8I—C9I—C10I	2.4 (11)
N1C—C13C—C18C—C17C	178.9 (5)	C8I—C9I—C10I—C11I	0.7 (8)
C16C—C17C—C18C—C13C	−2.6 (8)	C9I—C10I—C11I—C12I	−1.7 (7)
C15C—C16C—C19C—O2C	−1.2 (8)	C10I—C11I—C12I—N1I	−176.1 (5)
C17C—C16C—C19C—O2C	178.1 (5)	C10I—C11I—C12I—C7I	−0.4 (8)
C15C—C16C—C19C—O1C	−179.0 (5)	C8I—C7I—C12I—N1I	179.7 (7)
C17C—C16C—C19C—O1C	0.3 (7)	C6I—C7I—C12I—N1I	0.7 (10)
O2C—C19C—O1C—C20C	−1.9 (8)	C8I—C7I—C12I—C11I	3.4 (11)
C16C—C19C—O1C—C20C	175.8 (4)	C6I—C7I—C12I—C11I	−175.6 (8)
C19C—O1C—C20C—C21C	87.7 (6)	C11I—C12I—N1I—C1I	175.2 (5)
C6M—C1M—C2M—C3M	4 (4)	C7I—C12I—N1I—C1I	−0.9 (6)
N1M—C1M—C2M—C3M	−178 (3)	C11I—C12I—N1I—C13I	−7.3 (8)
C1M—C2M—C3M—C4M	−5 (4)	C7I—C12I—N1I—C13I	176.6 (6)
C2M—C3M—C4M—C5M	3 (5)	C2I—C1I—N1I—C12I	−178.6 (5)
C3M—C4M—C5M—C6M	1 (5)	C6I—C1I—N1I—C12I	0.7 (8)
C2M—C1M—C6M—C5M	0 (4)	C2I—C1I—N1I—C13I	3.9 (8)
N1M—C1M—C6M—C5M	−179 (3)	C6I—C1I—N1I—C13I	−176.9 (8)
C2M—C1M—C6M—C7M	−180 (3)	C12I—N1I—C13I—C18I	−55.3 (7)
N1M—C1M—C6M—C7M	2 (4)	C1I—N1I—C13I—C18I	121.7 (6)
C4M—C5M—C6M—C1M	−2 (4)	C12I—N1I—C13I—C14I	124.7 (5)
C4M—C5M—C6M—C7M	177 (4)	C1I—N1I—C13I—C14I	−58.2 (7)
C1M—C6M—C7M—C8M	178 (6)	C18I—C13I—C14I—C15I	0.7 (8)
C5M—C6M—C7M—C8M	−2 (9)	N1I—C13I—C14I—C15I	−179.4 (5)
C1M—C6M—C7M—C12M	−7 (6)	C13I—C14I—C15I—C16I	0.9 (8)
C5M—C6M—C7M—C12M	174 (4)	C14I—C15I—C16I—C17I	−1.4 (8)
C12M—C7M—C8M—C9M	3 (8)	C14I—C15I—C16I—C19I	176.6 (5)
C6M—C7M—C8M—C9M	178 (5)	C15I—C16I—C17I—C18I	0.4 (8)
C7M—C8M—C9M—C10M	3 (7)	C19I—C16I—C17I—C18I	−177.6 (5)
C8M—C9M—C10M—C11M	−9 (6)	C16I—C17I—C18I—C13I	1.2 (8)
C9M—C10M—C11M—C12M	9 (7)	C14I—C13I—C18I—C17I	−1.7 (8)
C8M—C7M—C12M—N1M	−174 (5)	N1I—C13I—C18I—C17I	178.3 (5)
C6M—C7M—C12M—N1M	10 (7)	C17I—C16I—C19I—O2I	−173.8 (5)
C8M—C7M—C12M—C11M	−3 (9)	C15I—C16I—C19I—O2I	8.2 (8)
C6M—C7M—C12M—C11M	−179 (5)	C17I—C16I—C19I—O1I	8.2 (7)
C10M—C11M—C12M—N1M	166 (6)	C15I—C16I—C19I—O1I	−169.8 (5)
C10M—C11M—C12M—C7M	−3 (8)	O2I—C19I—O1I—C20I	−1.2 (8)
C7M—C12M—N1M—C13M	180 (4)	C16I—C19I—O1I—C20I	176.8 (5)
C11M—C12M—N1M—C13M	10 (10)	C19I—O1I—C20I—C21I	177.3 (5)
C7M—C12M—N1M—C1M	−9 (6)	N1N—C1N—C2N—C3N	−167 (4)
C11M—C12M—N1M—C1M	−179 (6)	C6N—C1N—C2N—C3N	4 (8)
C6M—C1M—N1M—C12M	4 (4)	C1N—C2N—C3N—C4N	1 (6)
C2M—C1M—N1M—C12M	−174 (4)	C2N—C3N—C4N—C5N	−2 (6)
C6M—C1M—N1M—C13M	176 (3)	C3N—C4N—C5N—C6N	−1 (9)
C2M—C1M—N1M—C13M	−2 (5)	C4N—C5N—C6N—C1N	6 (12)
C12M—N1M—C13M—C18M	41 (6)	C4N—C5N—C6N—C7N	176 (10)
C1M—N1M—C13M—C18M	−129 (3)	C2N—C1N—C6N—C5N	−7 (11)
C12M—N1M—C13M—C14M	−141 (5)	N1N—C1N—C6N—C5N	165 (7)
C1M—N1M—C13M—C14M	49 (4)	C2N—C1N—C6N—C7N	−180 (6)
C18M—C13M—C14M—C15M	0 (5)	N1N—C1N—C6N—C7N	−7 (9)
N1M—C13M—C14M—C15M	−179 (3)	C5N—C6N—C7N—C8N	18 (17)
C13M—C14M—C15M—C16M	−2 (5)	C1N—C6N—C7N—C8N	−171 (8)
C14M—C15M—C16M—C17M	−1 (5)	C5N—C6N—C7N—C12N	−171 (11)
C14M—C15M—C16M—C19M	177 (3)	C1N—C6N—C7N—C12N	0 (9)
C15M—C16M—C17M—C18M	6 (4)	C6N—C7N—C8N—C9N	180 (8)
C19M—C16M—C17M—C18M	−172 (3)	C12N—C7N—C8N—C9N	11 (11)
C14M—C13M—C18M—C17M	6 (5)	C7N—C8N—C9N—C10N	−15 (7)
N1M—C13M—C18M—C17M	−176 (3)	C8N—C9N—C10N—C11N	9 (5)
C16M—C17M—C18M—C13M	−8 (5)	C9N—C10N—C11N—C12N	3 (5)
C17M—C16M—C19M—O2M	−9 (4)	C10N—C11N—C12N—N1N	176 (4)
C15M—C16M—C19M—O2M	174 (3)	C10N—C11N—C12N—C7N	−9 (6)
C17M—C16M—C19M—O1M	159 (3)	C8N—C7N—C12N—N1N	179 (6)
C15M—C16M—C19M—O1M	−19 (4)	C6N—C7N—C12N—N1N	8 (8)
O2M—C19M—O1M—C20M	0 (4)	C8N—C7N—C12N—C11N	2 (9)
C16M—C19M—O1M—C20M	−167 (2)	C6N—C7N—C12N—C11N	−169 (6)
C19M—O1M—C20M—C21M	−82 (3)	C2N—C1N—N1N—C12N	−177 (4)
N1D—C1D—C2D—C3D	176.4 (4)	C6N—C1N—N1N—C12N	11 (6)
C6D—C1D—C2D—C3D	−2.4 (6)	C2N—C1N—N1N—C13N	12 (6)
C1D—C2D—C3D—C4D	0.3 (6)	C6N—C1N—N1N—C13N	−159 (6)
C2D—C3D—C4D—C5D	1.3 (7)	C11N—C12N—N1N—C1N	164 (5)
C3D—C4D—C5D—C6D	−0.8 (6)	C7N—C12N—N1N—C1N	−11 (5)
C4D—C5D—C6D—C1D	−1.2 (6)	C11N—C12N—N1N—C13N	−28 (7)
C4D—C5D—C6D—C7D	−178.4 (4)	C7N—C12N—N1N—C13N	156 (4)
C2D—C1D—C6D—C5D	2.9 (6)	C1N—N1N—C13N—C18N	159 (3)
N1D—C1D—C6D—C5D	−176.1 (4)	C12N—N1N—C13N—C18N	−7 (4)
C2D—C1D—C6D—C7D	−179.3 (4)	C1N—N1N—C13N—C14N	−85 (3)
N1D—C1D—C6D—C7D	1.7 (4)	C12N—N1N—C13N—C14N	109 (4)
C5D—C6D—C7D—C12D	175.9 (4)	C18N—C13N—C14N—C15N	−65 (3)
C1D—C6D—C7D—C12D	−1.5 (4)	N1N—C13N—C14N—C15N	−162 (2)
C5D—C6D—C7D—C8D	−8.1 (8)	C13N—C14N—C15N—C16N	19 (4)
C1D—C6D—C7D—C8D	174.5 (5)	C14N—C15N—C16N—C17N	11 (5)
C12D—C7D—C8D—C9D	0.0 (6)	C14N—C15N—C16N—C19N	176 (3)
C6D—C7D—C8D—C9D	−175.6 (4)	C15N—C16N—C17N—C18N	−6 (5)
C7D—C8D—C9D—C10D	−2.9 (7)	C19N—C16N—C17N—C18N	−171 (3)
C8D—C9D—C10D—C11D	2.5 (7)	C14N—C13N—C18N—C17N	70 (3)
C9D—C10D—C11D—C12D	0.8 (6)	N1N—C13N—C18N—C17N	162 (2)
C10D—C11D—C12D—C7D	−3.7 (6)	C16N—C17N—C18N—C13N	−32 (4)
C10D—C11D—C12D—N1D	175.4 (4)	C15N—C16N—C19N—O2N	−169 (4)
C8D—C7D—C12D—C11D	3.4 (6)	C17N—C16N—C19N—O2N	−3 (5)
C6D—C7D—C12D—C11D	−179.9 (4)	C15N—C16N—C19N—O1N	21 (5)
C8D—C7D—C12D—N1D	−175.9 (4)	C17N—C16N—C19N—O1N	−173 (3)
C6D—C7D—C12D—N1D	0.8 (4)	O2N—C19N—O1N—C20N	−30 (5)
C2D—C1D—N1D—C12D	179.8 (4)	C16N—C19N—O1N—C20N	141 (3)
C6D—C1D—N1D—C12D	−1.2 (4)	C19N—O1N—C20N—C21N	156 (3)
C2D—C1D—N1D—C13D	6.6 (7)	N1J—C1J—C2J—C3J	−179.0 (4)
C6D—C1D—N1D—C13D	−174.5 (4)	C6J—C1J—C2J—C3J	−0.6 (6)
C11D—C12D—N1D—C1D	−179.0 (4)	C1J—C2J—C3J—C4J	0.2 (7)
C7D—C12D—N1D—C1D	0.2 (4)	C2J—C3J—C4J—C5J	0.2 (7)
C11D—C12D—N1D—C13D	−5.7 (7)	C3J—C4J—C5J—C6J	−0.3 (6)
C7D—C12D—N1D—C13D	173.5 (4)	C4J—C5J—C6J—C1J	0.0 (6)
C1D—N1D—C13D—C18D	−131.1 (4)	C4J—C5J—C6J—C7J	−179.1 (4)
C12D—N1D—C13D—C18D	56.9 (6)	C2J—C1J—C6J—C5J	0.5 (6)
C1D—N1D—C13D—C14D	49.9 (6)	N1J—C1J—C6J—C5J	179.2 (3)
C12D—N1D—C13D—C14D	−122.1 (4)	C2J—C1J—C6J—C7J	179.8 (3)
C18D—C13D—C14D—C15D	−1.2 (6)	N1J—C1J—C6J—C7J	−1.5 (4)
N1D—C13D—C14D—C15D	177.8 (4)	C5J—C6J—C7J—C8J	2.4 (7)
C13D—C14D—C15D—C16D	−0.6 (6)	C1J—C6J—C7J—C8J	−176.8 (4)
C14D—C15D—C16D—C17D	1.2 (6)	C5J—C6J—C7J—C12J	−178.7 (4)
C14D—C15D—C16D—C19D	−175.2 (4)	C1J—C6J—C7J—C12J	2.1 (4)
C15D—C16D—C17D—C18D	0.2 (6)	C12J—C7J—C8J—C9J	0.4 (6)
C19D—C16D—C17D—C18D	176.4 (4)	C6J—C7J—C8J—C9J	179.2 (4)
C16D—C17D—C18D—C13D	−2.1 (6)	C7J—C8J—C9J—C10J	0.2 (6)
C14D—C13D—C18D—C17D	2.6 (6)	C8J—C9J—C10J—C11J	−0.5 (6)
N1D—C13D—C18D—C17D	−176.4 (4)	C9J—C10J—C11J—C12J	0.1 (6)
C17D—C16D—C19D—O2D	177.6 (4)	C10J—C11J—C12J—N1J	−176.9 (4)
C15D—C16D—C19D—O2D	−6.1 (7)	C10J—C11J—C12J—C7J	0.5 (5)
C17D—C16D—C19D—O1D	−4.4 (6)	C8J—C7J—C12J—C11J	−0.7 (5)
C15D—C16D—C19D—O1D	171.8 (4)	C6J—C7J—C12J—C11J	−179.9 (3)
O2D—C19D—O1D—C20D	2.9 (7)	C8J—C7J—C12J—N1J	177.1 (3)
C16D—C19D—O1D—C20D	−175.1 (4)	C6J—C7J—C12J—N1J	−2.0 (4)
C19D—O1D—C20D—C21D	−177.2 (4)	C2J—C1J—N1J—C12J	178.8 (4)
N1E—C1E—C2E—C3E	−179.6 (4)	C6J—C1J—N1J—C12J	0.2 (4)
C6E—C1E—C2E—C3E	3.6 (5)	C2J—C1J—N1J—C13J	0.4 (6)
C1E—C2E—C3E—C4E	−1.1 (6)	C6J—C1J—N1J—C13J	−178.2 (3)
C2E—C3E—C4E—C5E	−1.5 (6)	C2J—C1J—N1J—C13O	4.9 (16)
C3E—C4E—C5E—C6E	1.7 (6)	C6J—C1J—N1J—C13O	−173.7 (15)
C4E—C5E—C6E—C1E	0.7 (6)	C11J—C12J—N1J—C1J	178.8 (4)
C4E—C5E—C6E—C7E	−179.4 (4)	C7J—C12J—N1J—C1J	1.2 (4)
C2E—C1E—C6E—C5E	−3.5 (5)	C11J—C12J—N1J—C13J	−2.8 (6)
N1E—C1E—C6E—C5E	179.1 (3)	C7J—C12J—N1J—C13J	179.6 (3)
C2E—C1E—C6E—C7E	176.6 (3)	C11J—C12J—N1J—C13O	−10 (2)
N1E—C1E—C6E—C7E	−0.8 (4)	C7J—C12J—N1J—C13O	172 (2)
C5E—C6E—C7E—C8E	−1.4 (7)	C1J—N1J—C13J—C18J	131.6 (5)
C1E—C6E—C7E—C8E	178.6 (4)	C12J—N1J—C13J—C18J	−46.6 (6)
C5E—C6E—C7E—C12E	−178.7 (4)	C1J—N1J—C13J—C14J	−45.2 (6)
C1E—C6E—C7E—C12E	1.2 (4)	C12J—N1J—C13J—C14J	136.6 (4)
C12E—C7E—C8E—C9E	1.4 (6)	C18J—C13J—C14J—C15J	−0.7 (7)
C6E—C7E—C8E—C9E	−175.6 (4)	N1J—C13J—C14J—C15J	176.2 (4)
C7E—C8E—C9E—C10E	0.3 (6)	C13J—C14J—C15J—C16J	2.0 (7)
C8E—C9E—C10E—C11E	−0.9 (7)	C14J—C15J—C16J—C17J	−0.1 (7)
C9E—C10E—C11E—C12E	−0.2 (6)	C14J—C15J—C16J—C19J	−177.1 (4)
C10E—C11E—C12E—N1E	177.3 (4)	C15J—C16J—C17J—C18J	−3.2 (7)
C10E—C11E—C12E—C7E	1.9 (6)	C19J—C16J—C17J—C18J	174.0 (4)
C8E—C7E—C12E—N1E	−178.9 (3)	C14J—C13J—C18J—C17J	−2.6 (8)
C6E—C7E—C12E—N1E	−1.2 (4)	N1J—C13J—C18J—C17J	−179.5 (4)
C8E—C7E—C12E—C11E	−2.6 (6)	C16J—C17J—C18J—C13J	4.5 (8)
C6E—C7E—C12E—C11E	175.1 (3)	C15J—C16J—C19J—O2J	−171.9 (4)
C11E—C12E—N1E—C1E	−175.1 (4)	C17J—C16J—C19J—O2J	11.0 (7)
C7E—C12E—N1E—C1E	0.7 (4)	C15J—C16J—C19J—O1J	12.9 (6)
C11E—C12E—N1E—C13E	−5.2 (6)	C17J—C16J—C19J—O1J	−164.2 (4)
C7E—C12E—N1E—C13E	170.6 (3)	O2J—C19J—O1J—C20J	−7.9 (7)
C2E—C1E—N1E—C12E	−177.1 (4)	C16J—C19J—O1J—C20J	167.4 (4)
C6E—C1E—N1E—C12E	0.1 (4)	C19J—O1J—C20J—C21J	88.1 (5)
C2E—C1E—N1E—C13E	13.0 (6)	C1J—N1J—C13O—C18O	152 (4)
C6E—C1E—N1E—C13E	−169.9 (3)	C12J—N1J—C13O—C18O	−19 (5)
C12E—N1E—C13E—C18E	53.6 (5)	C1J—N1J—C13O—C14O	−67 (3)
C1E—N1E—C13E—C18E	−138.1 (4)	C12J—N1J—C13O—C14O	122 (3)
C12E—N1E—C13E—C14E	−127.4 (4)	C18O—C13O—C14O—C15O	−28 (7)
C1E—N1E—C13E—C14E	40.9 (5)	N1J—C13O—C14O—C15O	−161 (4)
C18E—C13E—C14E—C15E	1.7 (6)	C13O—C14O—C15O—C16O	−17 (6)
N1E—C13E—C14E—C15E	−177.3 (4)	C14O—C15O—C16O—C17O	49 (6)
C13E—C14E—C15E—C16E	−2.0 (6)	C14O—C15O—C16O—C19O	−155 (4)
C14E—C15E—C16E—C17E	0.1 (6)	C15O—C16O—C17O—C18O	−36 (6)
C14E—C15E—C16E—C19E	178.3 (4)	C19O—C16O—C17O—C18O	171 (4)
C15E—C16E—C17E—C18E	2.0 (6)	C14O—C13O—C18O—C17O	40 (7)
C19E—C16E—C17E—C18E	−176.0 (4)	N1J—C13O—C18O—C17O	170 (4)
C16E—C17E—C18E—C13E	−2.3 (6)	C16O—C17O—C18O—C13O	−5 (7)
C14E—C13E—C18E—C17E	0.5 (6)	C15O—C16O—C19O—O2O	36 (5)
N1E—C13E—C18E—C17E	179.4 (3)	C17O—C16O—C19O—O2O	−170 (4)
C15E—C16E—C19E—O2E	−8.1 (6)	C15O—C16O—C19O—O1O	−90 (4)
C17E—C16E—C19E—O2E	169.9 (4)	C17O—C16O—C19O—O1O	65 (4)
C15E—C16E—C19E—O1E	170.5 (3)	O2O—C19O—O1O—C20O	61 (4)
C17E—C16E—C19E—O1E	−11.4 (5)	C16O—C19O—O1O—C20O	−165 (3)
O2E—C19E—O1E—C20E	2.5 (5)	C19O—O1O—C20O—C21O	−80 (5)
C16E—C19E—O1E—C20E	−176.2 (3)