Single-crystal investigation of L-tryptophan with Z′ = 16

A complex, disorder-free structure in the space group P1 has been established for L-tryptophan, for which no crystal structure has previously been available. The 16 molecules in the asymmetric unit can be divided into two groups of eight; one where the side chains have gauche orientations and one with trans orientations. Molecules within each group have almost identical molecular geometries. The unit-cell parameters mimic a hexagonal cell, but deviations from 90° for the cell angles α = 84.421 (4) and β = 87.694 (4)° give a small tilt that rules out hexagonal symmetry. The hydrogen-bonding pattern resembles that found in the crystal structure of the racemic structure of DL-tryptophan, but a lower density combined with longer hydrogen bonds and inter-aromatic interactions show that the enantiomeric structure is less efficiently packed.

S1. Comment

Text

S2. Experimental

From a saturated solutions of L-Trp in water (approximately 10 µg/ml), 30 ml was deposited into a series of 30 x 6 mm test tubes. The tubes were subsequently sealed with parafilm. For each tube a needle was then used to prick a single small hole in the parafilm after which the tube was placed inside a larger test tube filled with 1 mL of acetonitrile. The system was ultimately capped and left for three days at 20 °C.

S3. Refinement

The structure of was refined without constraints or restraints on C, N or O positions. No postional disorder was indicated. H atoms were positioned with idealized geometry with fixed N—H = 0.88 (aromatic) or 0.91 Å (amino) and C—H = 0.95 (aromatic), 0.99 (methylene) or 1.00 Å (methine), while permitting free rotation for the amino groups. U_iso values were set to 1.2U_eq of the carrier atom, or 1.5U_eq for amino groups. In the absence of significant anomalous scattering effects, 23163 Friedel pairs were merged.

Computing details

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT-Plus (Bruker, 2007); data reduction: SAINT-Plus (Bruker, 2007); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures

The paper contains seven figures and two schemes

(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid

Crystal data

C11H12N2O2	Z = 16
Mr = 204.23	F(000) = 1728
Triclinic, P1	Dx = 1.348 Mg m^−3
Hall symbol: P 1	Mo Kα radiation, λ = 0.71073 Å
a = 11.430 (3) Å	Cell parameters from 50000 reflections
b = 11.464 (4) Å	θ = 1.7–30.8°
c = 35.606 (9) Å	µ = 0.10 mm^−1
α = 84.421 (4)°	T = 123 K
β = 87.694 (4)°	Prism, colourless
γ = 60.102 (2)°	0.62 × 0.28 × 0.14 mm
V = 4025.6 (19) Å^3

Data collection

Bruker APEXII CCD diffractometer	24736 independent reflections
Radiation source: fine-focus sealed tube	19659 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.043
Detector resolution: 8.3 pixels mm^-1	θmax = 30.8°, θmin = 1.7°
Sets of exposures each taken over 0.5°ω rotation scans	h = −16→16
Absorption correction: multi-scan (SADABS; Bruker, 2007)	k = −16→16
Tmin = 0.943, Tmax = 0.987	l = −51→51
66471 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.085	H-atom parameters constrained
wR(F^2) = 0.255	w = 1/[σ^2(Fo^2) + (0.0959P)^2 + 9.8235P] where P = (Fo^2 + 2Fc^2)/3
S = 1.13	(Δ/σ)max = 0.005
24736 reflections	Δρmax = 0.53 e Å^−3
2178 parameters	Δρmin = −0.47 e Å^−3
3 restraints	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0026 (5)

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. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq
O1A	0.2967 (4)	−0.0373 (4)	0.24253 (10)	0.0168 (7)
O2A	0.2201 (5)	−0.0540 (4)	0.18747 (11)	0.0241 (8)
N1A	0.2933 (4)	0.1920 (4)	0.21788 (12)	0.0152 (7)
H1A	0.2236	0.2140	0.2342	0.023*
H2A	0.2887	0.2688	0.2065	0.023*
H3A	0.3729	0.1422	0.2307	0.023*
N2A	0.4397 (5)	−0.1699 (5)	0.09282 (15)	0.0271 (10)
H4A	0.4736	−0.2494	0.0840	0.032*
C1A	0.2654 (5)	−0.0046 (5)	0.20811 (14)	0.0143 (8)
C2A	0.2846 (5)	0.1119 (5)	0.18880 (13)	0.0137 (8)
H21A	0.2044	0.1725	0.1722	0.016*
C3A	0.4115 (5)	0.0567 (5)	0.16437 (14)	0.0167 (9)
H31A	0.4270	0.1320	0.1549	0.020*
H32A	0.4903	−0.0092	0.1802	0.020*
C4A	0.4812 (6)	−0.1460 (6)	0.12593 (16)	0.0230 (10)
H41A	0.5521	−0.2118	0.1422	0.028*
C5A	0.4024 (5)	−0.0108 (5)	0.13135 (15)	0.0192 (9)
C6A	0.3113 (5)	0.0523 (5)	0.09987 (15)	0.0178 (9)
C7A	0.2106 (6)	0.1847 (6)	0.08898 (16)	0.0224 (10)
H71A	0.1914	0.2559	0.1041	0.027*
C8A	0.1392 (7)	0.2103 (7)	0.05565 (18)	0.0315 (13)
H81A	0.0700	0.2998	0.0482	0.038*
C9A	0.1674 (8)	0.1064 (9)	0.03275 (18)	0.0375 (16)
H91A	0.1182	0.1276	0.0098	0.045*
C10A	0.2642 (7)	−0.0248 (8)	0.04264 (18)	0.0331 (14)
H10A	0.2802	−0.0948	0.0274	0.040*
C11A	0.3394 (6)	−0.0529 (6)	0.07610 (16)	0.0232 (10)
O1B	0.2989 (4)	0.4615 (4)	0.24276 (10)	0.0166 (7)
O2B	0.2220 (4)	0.4444 (4)	0.18766 (11)	0.0227 (8)
N1B	0.2921 (4)	0.6931 (4)	0.21854 (12)	0.0156 (7)
H1B	0.2226	0.7147	0.2350	0.023*
H2B	0.2874	0.7702	0.2074	0.023*
H3B	0.3719	0.6428	0.2313	0.023*
N2B	0.4367 (5)	0.3304 (5)	0.09436 (14)	0.0247 (9)
H4B	0.4704	0.2502	0.0859	0.030*
C1B	0.2644 (5)	0.4962 (5)	0.20836 (14)	0.0149 (8)
C2B	0.2827 (5)	0.6137 (5)	0.18896 (14)	0.0137 (8)
H21B	0.2023	0.6745	0.1725	0.016*
C3B	0.4110 (5)	0.5594 (5)	0.16443 (15)	0.0194 (9)
H31B	0.4250	0.6354	0.1548	0.023*
H32B	0.4900	0.4946	0.1804	0.023*
C4B	0.4779 (5)	0.3572 (5)	0.12708 (16)	0.0208 (10)
H41B	0.5478	0.2921	0.1437	0.025*
C5B	0.4028 (5)	0.4906 (5)	0.13159 (14)	0.0177 (9)
C6B	0.3119 (5)	0.5540 (5)	0.09994 (15)	0.0190 (9)
C7B	0.2130 (6)	0.6855 (6)	0.08860 (15)	0.0227 (10)
H71B	0.1947	0.7571	0.1035	0.027*
C8B	0.1404 (6)	0.7118 (7)	0.05500 (17)	0.0266 (11)
H81B	0.0744	0.8018	0.0468	0.032*
C9B	0.1650 (7)	0.6051 (8)	0.03327 (16)	0.0315 (13)
H91B	0.1140	0.6244	0.0108	0.038*
C10B	0.2620 (7)	0.4726 (7)	0.04408 (16)	0.0290 (12)
H10B	0.2780	0.4011	0.0295	0.035*
C11B	0.3357 (6)	0.4478 (6)	0.07735 (15)	0.0216 (10)
O1C	0.8001 (4)	0.2296 (4)	0.24365 (10)	0.0169 (7)
O2C	0.7229 (5)	0.2162 (4)	0.18880 (12)	0.0284 (9)
N1C	0.7919 (4)	0.4639 (4)	0.21947 (12)	0.0154 (7)
H1C	0.7319	0.4735	0.2382	0.023*
H2C	0.7728	0.5469	0.2087	0.023*
H3C	0.8770	0.4201	0.2293	0.023*
N2C	0.9492 (5)	0.5797 (5)	0.09960 (14)	0.0253 (10)
H4C	0.9871	0.6287	0.0923	0.030*
C1C	0.7663 (5)	0.2679 (5)	0.20938 (14)	0.0147 (8)
C2C	0.7820 (5)	0.3850 (5)	0.19066 (14)	0.0146 (8)
H21C	0.7000	0.4457	0.1747	0.018*
C3C	0.9055 (5)	0.3322 (5)	0.16505 (15)	0.0198 (9)
H31C	0.9873	0.2984	0.1809	0.024*
H32C	0.9132	0.2548	0.1528	0.024*
C4C	0.9819 (6)	0.4945 (6)	0.13186 (16)	0.0215 (10)
H41C	1.0495	0.4783	0.1496	0.026*
C5C	0.9021 (5)	0.4359 (5)	0.13473 (14)	0.0181 (9)
C6C	0.8160 (5)	0.4868 (5)	0.10203 (14)	0.0179 (9)
C7C	0.7163 (5)	0.4642 (6)	0.08848 (16)	0.0222 (10)
H71C	0.6917	0.4053	0.1026	0.027*
C8C	0.6539 (7)	0.5291 (7)	0.05410 (18)	0.0307 (13)
H81C	0.5875	0.5127	0.0446	0.037*
C9C	0.6871 (7)	0.6189 (7)	0.03301 (18)	0.0313 (13)
H91C	0.6416	0.6632	0.0098	0.038*
C10C	0.7835 (7)	0.6432 (7)	0.04541 (17)	0.0318 (13)
H10C	0.8063	0.7029	0.0309	0.038*
C11C	0.8490 (6)	0.5780 (5)	0.08028 (15)	0.0206 (10)
O1D	0.8011 (4)	0.7290 (4)	0.24389 (10)	0.0166 (6)
O2D	0.7221 (5)	0.7169 (4)	0.18901 (12)	0.0287 (9)
N1D	0.7914 (4)	0.9643 (4)	0.21978 (12)	0.0151 (7)
H1D	0.7232	0.9845	0.2366	0.023*
H2D	0.7844	1.0421	0.2084	0.023*
H3D	0.8721	0.9155	0.2321	0.023*
N2D	0.9479 (6)	1.0817 (5)	0.10037 (15)	0.0278 (10)
H4D	0.9859	1.1304	0.0928	0.033*
C1D	0.7671 (5)	0.7677 (4)	0.20959 (14)	0.0132 (8)
C2D	0.7826 (5)	0.8842 (5)	0.19088 (13)	0.0132 (8)
H21D	0.7009	0.9443	0.1748	0.016*
C3D	0.9075 (5)	0.8315 (5)	0.16542 (15)	0.0198 (9)
H31D	0.9888	0.7986	0.1814	0.024*
H32D	0.9163	0.7537	0.1531	0.024*
C4D	0.9812 (6)	0.9938 (6)	0.13236 (16)	0.0235 (10)
H41D	1.0497	0.9765	0.1499	0.028*
C5D	0.9030 (5)	0.9351 (5)	0.13554 (15)	0.0191 (9)
C6D	0.8152 (5)	0.9872 (5)	0.10319 (14)	0.0174 (9)
C7D	0.7156 (6)	0.9640 (6)	0.08993 (16)	0.0217 (10)
H71D	0.6925	0.9036	0.1040	0.026*
C8D	0.6512 (6)	1.0308 (7)	0.05592 (18)	0.0303 (13)
H81D	0.5859	1.0127	0.0465	0.036*
C9D	0.6791 (8)	1.1236 (7)	0.03512 (18)	0.0371 (16)
H91D	0.6320	1.1688	0.0121	0.044*
C10D	0.7746 (8)	1.1491 (6)	0.04803 (17)	0.0341 (15)
H10D	0.7940	1.2125	0.0342	0.041*
C11D	0.8435 (6)	1.0804 (5)	0.08192 (15)	0.0220 (10)
O1E	0.0509 (4)	0.2870 (4)	0.25747 (10)	0.0166 (7)
O2E	−0.0319 (4)	0.3818 (4)	0.31137 (11)	0.0226 (8)
N1E	0.0438 (4)	0.0610 (4)	0.28194 (12)	0.0165 (8)
H1E	−0.0185	0.1113	0.2634	0.025*
H2E	0.0263	−0.0035	0.2930	0.025*
H3E	0.1277	0.0209	0.2718	0.025*
N2E	0.2077 (5)	0.2722 (5)	0.40525 (15)	0.0266 (10)
H4E	0.2444	0.3162	0.4137	0.032*
C1E	0.0165 (5)	0.2844 (5)	0.29135 (14)	0.0141 (8)
C2E	0.0369 (5)	0.1506 (5)	0.31095 (14)	0.0140 (8)
H21E	−0.0416	0.1694	0.3278	0.017*
C3E	0.1669 (5)	0.0774 (5)	0.33480 (14)	0.0177 (9)
H31E	0.1824	−0.0133	0.3443	0.021*
H32E	0.2439	0.0649	0.3185	0.021*
C4E	0.2425 (6)	0.2084 (6)	0.37236 (16)	0.0228 (10)
H41E	0.3108	0.2041	0.3555	0.027*
C5E	0.1631 (5)	0.1521 (5)	0.36781 (14)	0.0181 (9)
C6E	0.0749 (5)	0.1814 (5)	0.39972 (15)	0.0183 (9)
C7E	−0.0256 (6)	0.1497 (6)	0.41141 (15)	0.0222 (10)
H71E	−0.0487	0.0998	0.3965	0.027*
C8E	−0.0902 (6)	0.1928 (6)	0.44521 (17)	0.0277 (12)
H81E	−0.1577	0.1711	0.4534	0.033*
C9E	−0.0588 (7)	0.2667 (7)	0.46732 (17)	0.0304 (13)
H91E	−0.1058	0.2954	0.4902	0.037*
C10E	0.0407 (7)	0.2997 (7)	0.45651 (17)	0.0304 (13)
H10E	0.0624	0.3500	0.4717	0.036*
C11E	0.1075 (6)	0.2563 (6)	0.42250 (16)	0.0241 (11)
O1F	0.0506 (4)	0.7875 (4)	0.25783 (10)	0.0162 (6)
O2F	−0.0329 (4)	0.8821 (4)	0.31176 (11)	0.0225 (8)
N1F	0.0455 (4)	0.5608 (4)	0.28243 (12)	0.0146 (7)
H1F	−0.0206	0.6096	0.2648	0.022*
H2F	0.0347	0.4920	0.2936	0.022*
H3F	0.1275	0.5264	0.2712	0.022*
N2F	0.1954 (5)	0.7805 (5)	0.40603 (15)	0.0274 (10)
H4F	0.2295	0.8269	0.4146	0.033*
C1F	0.0167 (5)	0.7842 (5)	0.29209 (13)	0.0138 (8)
C2F	0.0369 (5)	0.6500 (4)	0.31153 (13)	0.0126 (8)
H21F	−0.0419	0.6683	0.3282	0.015*
C3F	0.1671 (5)	0.5791 (5)	0.33576 (14)	0.0163 (8)
H31F	0.1840	0.4881	0.3455	0.020*
H32F	0.2441	0.5675	0.3196	0.020*
C4F	0.2357 (6)	0.7140 (6)	0.37398 (17)	0.0244 (11)
H41F	0.3061	0.7094	0.3580	0.029*
C5F	0.1605 (5)	0.6555 (5)	0.36836 (15)	0.0190 (9)
C6F	0.0683 (5)	0.6840 (5)	0.39969 (14)	0.0184 (9)
C7F	−0.0295 (6)	0.6499 (6)	0.41090 (15)	0.0232 (10)
H71F	−0.0474	0.5958	0.3961	0.028*
C8F	−0.1015 (6)	0.6953 (6)	0.44400 (17)	0.0287 (12)
H81F	−0.1685	0.6723	0.4517	0.034*
C9F	−0.0750 (8)	0.7745 (7)	0.46576 (17)	0.0341 (14)
H91F	−0.1245	0.8044	0.4882	0.041*
C10F	0.0210 (7)	0.8107 (6)	0.45562 (17)	0.0305 (13)
H10F	0.0372	0.8657	0.4705	0.037*
C11F	0.0934 (6)	0.7640 (6)	0.42288 (16)	0.0230 (10)
O1G	0.5480 (4)	0.5224 (4)	0.25632 (10)	0.0172 (7)
O2G	0.4770 (5)	0.6104 (4)	0.31182 (12)	0.0278 (9)
N1G	0.5458 (5)	0.2940 (4)	0.28097 (12)	0.0173 (8)
H1G	0.4802	0.3422	0.2631	0.026*
H2G	0.5351	0.2253	0.2922	0.026*
H3G	0.6282	0.2596	0.2699	0.026*
N2G	0.7065 (5)	0.0186 (5)	0.40021 (14)	0.0225 (9)
H4G	0.7440	−0.0683	0.4073	0.027*
C1G	0.5181 (5)	0.5171 (5)	0.29092 (14)	0.0158 (8)
C2G	0.5357 (5)	0.3838 (5)	0.30973 (13)	0.0141 (8)
H21G	0.4545	0.4038	0.3255	0.017*
C3G	0.6608 (5)	0.3141 (6)	0.33578 (15)	0.0199 (9)
H31G	0.7423	0.2687	0.3202	0.024*
H32G	0.6671	0.3839	0.3484	0.024*
C4G	0.7378 (6)	0.0757 (5)	0.36777 (16)	0.0210 (10)
H41G	0.8043	0.0261	0.3500	0.025*
C5G	0.6597 (5)	0.2121 (5)	0.36528 (14)	0.0176 (9)
C6G	0.5747 (5)	0.2455 (5)	0.39826 (14)	0.0172 (9)
C7G	0.4779 (6)	0.3667 (6)	0.41215 (15)	0.0218 (10)
H71G	0.4548	0.4510	0.3986	0.026*
C8G	0.4168 (6)	0.3611 (7)	0.44586 (18)	0.0278 (12)
H81G	0.3513	0.4429	0.4556	0.033*
C9G	0.4490 (7)	0.2375 (7)	0.46617 (16)	0.0298 (12)
H91G	0.4043	0.2375	0.4892	0.036*
C10G	0.5442 (7)	0.1157 (6)	0.45341 (16)	0.0261 (11)
H10G	0.5657	0.0322	0.4672	0.031*
C11G	0.6077 (6)	0.1204 (5)	0.41922 (14)	0.0199 (10)
O1H	0.5478 (4)	1.0220 (4)	0.25616 (10)	0.0162 (6)
O2H	0.4892 (5)	1.1045 (4)	0.31260 (13)	0.0297 (9)
N1H	0.5441 (4)	0.7936 (4)	0.28025 (12)	0.0156 (7)
H1H	0.4760	0.8433	0.2632	0.023*
H2H	0.5353	0.7234	0.2913	0.023*
H3H	0.6248	0.7610	0.2683	0.023*
N2H	0.7075 (5)	0.5170 (5)	0.40121 (15)	0.0263 (10)
H4H	0.7450	0.4305	0.4089	0.032*
C1H	0.5231 (5)	1.0136 (5)	0.29091 (14)	0.0161 (9)
C2H	0.5380 (5)	0.8808 (5)	0.30980 (13)	0.0145 (8)
H21H	0.4569	0.9021	0.3258	0.017*
C3H	0.6635 (5)	0.8066 (6)	0.33504 (14)	0.0192 (9)
H31H	0.7431	0.7582	0.3190	0.023*
H32H	0.6751	0.8742	0.3472	0.023*
C4H	0.7403 (6)	0.5700 (5)	0.36872 (16)	0.0229 (10)
H41H	0.8080	0.5187	0.3514	0.028*
C5H	0.6610 (5)	0.7070 (5)	0.36518 (14)	0.0173 (9)
C6H	0.5760 (5)	0.7422 (5)	0.39778 (14)	0.0176 (9)
C7H	0.4778 (6)	0.8661 (6)	0.41067 (17)	0.0242 (11)
H71H	0.4562	0.9492	0.3966	0.029*
C8H	0.4137 (7)	0.8642 (8)	0.44409 (18)	0.0347 (15)
H81H	0.3463	0.9472	0.4528	0.042*
C9H	0.4454 (7)	0.7435 (9)	0.46540 (17)	0.0369 (16)
H91H	0.4004	0.7462	0.4886	0.044*
C10H	0.5422 (7)	0.6180 (8)	0.45338 (17)	0.0321 (14)
H10H	0.5624	0.5356	0.4676	0.038*
C11H	0.6078 (6)	0.6198 (6)	0.41946 (15)	0.0231 (10)
O1I	0.3543 (4)	0.0584 (4)	0.74197 (10)	0.0173 (7)
O2I	0.3848 (4)	−0.0335 (4)	0.68731 (11)	0.0233 (8)
N1I	0.1309 (4)	0.2845 (4)	0.71738 (12)	0.0152 (7)
H1I	0.1101	0.2348	0.7350	0.023*
H2I	0.0537	0.3531	0.7063	0.023*
H3I	0.1753	0.3193	0.7287	0.023*
N2I	0.5278 (5)	0.0672 (5)	0.59270 (15)	0.0270 (10)
H4I	0.6101	0.0207	0.5840	0.032*
C1I	0.3292 (5)	0.0621 (5)	0.70751 (14)	0.0140 (8)
C2I	0.2190 (5)	0.1964 (5)	0.68804 (13)	0.0135 (8)
H21I	0.1628	0.1772	0.6716	0.016*
C3I	0.2808 (5)	0.2692 (5)	0.66350 (15)	0.0190 (9)
H31I	0.2079	0.3598	0.6540	0.023*
H32I	0.3427	0.2815	0.6792	0.023*
C4I	0.4922 (6)	0.1348 (6)	0.62521 (16)	0.0220 (10)
H41I	0.5536	0.1395	0.6414	0.026*
C5I	0.3574 (5)	0.1930 (5)	0.63046 (14)	0.0172 (9)
C6I	0.3019 (5)	0.1647 (5)	0.59945 (15)	0.0190 (9)
C7I	0.1717 (6)	0.1986 (5)	0.58891 (15)	0.0231 (10)
H71I	0.0966	0.2520	0.6040	0.028*
C8I	0.1535 (7)	0.1532 (7)	0.55618 (17)	0.0301 (12)
H81I	0.0649	0.1770	0.5487	0.036*
C9I	0.2637 (7)	0.0723 (7)	0.53378 (17)	0.0302 (13)
H91I	0.2484	0.0422	0.5115	0.036*
C10I	0.3941 (7)	0.0362 (6)	0.54376 (17)	0.0293 (13)
H10I	0.4690	−0.0201	0.5291	0.035*
C11I	0.4118 (6)	0.0858 (5)	0.57640 (16)	0.0239 (11)
O1J	0.8536 (4)	0.5587 (4)	0.74219 (10)	0.0165 (7)
O2J	0.8873 (4)	0.4675 (4)	0.68723 (12)	0.0254 (8)
N1J	0.6295 (4)	0.7840 (4)	0.71783 (12)	0.0163 (8)
H1J	0.6102	0.7338	0.7357	0.024*
H2J	0.5515	0.8514	0.7068	0.024*
H3J	0.6730	0.8203	0.7288	0.024*
N2J	1.0305 (5)	0.5762 (5)	0.59339 (15)	0.0261 (10)
H4J	1.1132	0.5322	0.5847	0.031*
C1J	0.8295 (5)	0.5613 (5)	0.70768 (14)	0.0143 (8)
C2J	0.7175 (5)	0.6962 (5)	0.68863 (13)	0.0136 (8)
H21J	0.6614	0.6771	0.6721	0.016*
C3J	0.7794 (5)	0.7704 (5)	0.66413 (14)	0.0176 (9)
H31J	0.7059	0.8608	0.6547	0.021*
H32J	0.8399	0.7837	0.6801	0.021*
C4J	0.9934 (5)	0.6400 (5)	0.62609 (16)	0.0205 (9)
H41J	1.0539	0.6440	0.6428	0.025*
C5J	0.8572 (5)	0.6969 (5)	0.63131 (14)	0.0187 (9)
C6J	0.8047 (5)	0.6689 (5)	0.59944 (14)	0.0186 (9)
C7J	0.6764 (6)	0.6991 (5)	0.58830 (16)	0.0214 (10)
H71J	0.6002	0.7487	0.6035	0.026*
C8J	0.6613 (7)	0.6553 (7)	0.55443 (19)	0.0310 (13)
H81J	0.5743	0.6750	0.5467	0.037*
C9J	0.7741 (7)	0.5821 (7)	0.53164 (16)	0.0302 (13)
H91J	0.7613	0.5558	0.5083	0.036*
C10J	0.9027 (7)	0.5479 (7)	0.54258 (18)	0.0304 (12)
H10J	0.9790	0.4960	0.5277	0.037*
C11J	0.9163 (6)	0.5929 (6)	0.57645 (15)	0.0216 (10)
O1K	0.5863 (4)	0.3281 (4)	0.74365 (10)	0.0166 (6)
O2K	0.6102 (4)	0.2364 (4)	0.68940 (12)	0.0274 (9)
N1K	0.3581 (4)	0.5553 (4)	0.71904 (12)	0.0144 (7)
H1K	0.3281	0.5099	0.7354	0.022*
H2K	0.2863	0.6288	0.7073	0.022*
H3K	0.4061	0.5824	0.7320	0.022*
N2K	0.2751 (5)	0.8308 (5)	0.60072 (14)	0.0236 (9)
H4K	0.2271	0.9178	0.5938	0.028*
C1K	0.5550 (4)	0.3325 (4)	0.70956 (14)	0.0133 (8)
C2K	0.4455 (5)	0.4653 (5)	0.69054 (14)	0.0148 (8)
H21K	0.3886	0.4455	0.6746	0.018*
C3K	0.5081 (5)	0.5348 (5)	0.66489 (14)	0.0179 (9)
H31K	0.5391	0.5809	0.6806	0.021*
H32K	0.5882	0.4651	0.6525	0.021*
C4K	0.3536 (6)	0.7750 (5)	0.63270 (15)	0.0210 (10)
H41K	0.3655	0.8246	0.6506	0.025*
C5K	0.4125 (5)	0.6361 (5)	0.63510 (14)	0.0179 (9)
C6K	0.3702 (5)	0.6044 (5)	0.60201 (14)	0.0174 (9)
C7K	0.3972 (6)	0.4836 (6)	0.58826 (17)	0.0228 (10)
H71K	0.4537	0.3996	0.6022	0.027*
C8K	0.3404 (6)	0.4871 (6)	0.55379 (17)	0.0259 (11)
H81K	0.3594	0.4052	0.5441	0.031*
C9K	0.2548 (6)	0.6123 (7)	0.53339 (16)	0.0264 (11)
H91K	0.2172	0.6134	0.5100	0.032*
C10K	0.2247 (6)	0.7329 (7)	0.54684 (16)	0.0284 (12)
H10K	0.1656	0.8167	0.5333	0.034*
C11K	0.2833 (5)	0.7287 (6)	0.58087 (15)	0.0211 (10)
O1L	1.0849 (4)	0.8291 (4)	0.74331 (10)	0.0166 (6)
O2L	1.1150 (4)	0.7423 (4)	0.68815 (13)	0.0288 (10)
N1L	0.8562 (4)	1.0550 (4)	0.71953 (12)	0.0164 (8)
H1L	0.8305	1.0062	0.7360	0.025*
H2L	0.7818	1.1268	0.7082	0.025*
H3L	0.9019	1.0851	0.7323	0.025*
N2L	0.7758 (5)	1.3340 (5)	0.59949 (15)	0.0271 (10)
H4L	0.7302	1.4206	0.5919	0.033*
C1L	1.0572 (4)	0.8362 (5)	0.70892 (14)	0.0141 (8)
C2L	0.9446 (5)	0.9687 (5)	0.69046 (14)	0.0147 (8)
H21L	0.8892	0.9479	0.6742	0.018*
C3L	1.0051 (5)	1.0426 (6)	0.66534 (15)	0.0201 (10)
H31L	1.0324	1.0907	0.6815	0.024*
H32L	1.0873	0.9749	0.6531	0.024*
C4L	0.8519 (6)	1.2788 (6)	0.63202 (17)	0.0244 (11)
H41L	0.8629	1.3294	0.6498	0.029*
C5L	0.9093 (5)	1.1424 (5)	0.63535 (14)	0.0170 (9)
C6L	0.8681 (5)	1.1077 (5)	0.60243 (14)	0.0170 (9)
C7L	0.8953 (6)	0.9859 (6)	0.58977 (17)	0.0255 (11)
H71L	0.9505	0.9031	0.6044	0.031*
C8L	0.8408 (7)	0.9866 (8)	0.55543 (19)	0.0338 (14)
H81L	0.8607	0.9035	0.5463	0.041*
C9L	0.7562 (7)	1.1094 (9)	0.53394 (17)	0.0374 (17)
H91L	0.7194	1.1079	0.5106	0.045*
C10L	0.7269 (7)	1.2293 (9)	0.54622 (17)	0.0378 (16)
H10L	0.6693	1.3115	0.5317	0.045*
C11L	0.7825 (6)	1.2314 (6)	0.58076 (16)	0.0244 (11)
O1M	0.0242 (4)	0.1362 (4)	0.75713 (10)	0.0173 (7)
O2M	−0.0853 (4)	0.1447 (4)	0.81082 (12)	0.0238 (8)
N1M	0.2438 (4)	−0.0970 (4)	0.78142 (12)	0.0142 (7)
H1M	0.1984	−0.1084	0.7630	0.021*
H2M	0.3057	−0.1791	0.7925	0.021*
H3M	0.2865	−0.0527	0.7711	0.021*
N2M	−0.0085 (5)	0.2696 (5)	0.90384 (14)	0.0257 (10)
H4M	−0.0579	0.3501	0.9120	0.031*
C1M	0.0168 (5)	0.0983 (5)	0.79104 (14)	0.0144 (8)
C2M	0.1469 (5)	−0.0164 (5)	0.81028 (13)	0.0132 (8)
H21M	0.1236	−0.0770	0.8270	0.016*
C3M	0.2137 (5)	0.0389 (5)	0.83450 (14)	0.0163 (8)
H31M	0.3015	−0.0365	0.8442	0.020*
H32M	0.2315	0.1038	0.8184	0.020*
C4M	0.0674 (6)	0.2431 (6)	0.87165 (16)	0.0229 (10)
H41M	0.0764	0.3082	0.8551	0.027*
C5M	0.1280 (5)	0.1081 (5)	0.86718 (14)	0.0179 (9)
C6M	0.0904 (5)	0.0468 (5)	0.89887 (14)	0.0181 (9)
C7M	0.1211 (6)	−0.0852 (6)	0.91102 (16)	0.0233 (10)
H71M	0.1786	−0.1578	0.8965	0.028*
C8M	0.0668 (7)	−0.1094 (7)	0.94449 (17)	0.0290 (12)
H81M	0.0888	−0.1993	0.9528	0.035*
C9M	−0.0181 (7)	−0.0057 (7)	0.96584 (16)	0.0310 (13)
H91M	−0.0546	−0.0251	0.9884	0.037*
C10M	−0.0512 (6)	0.1272 (7)	0.95474 (17)	0.0294 (12)
H10M	−0.1098	0.1988	0.9694	0.035*
C11M	0.0044 (6)	0.1516 (6)	0.92140 (16)	0.0239 (10)
O1N	0.5242 (4)	0.6354 (4)	0.75730 (10)	0.0161 (6)
O2N	0.4137 (4)	0.6466 (4)	0.81132 (11)	0.0216 (8)
N1N	0.7431 (4)	0.4035 (4)	0.78188 (12)	0.0143 (7)
H1N	0.6994	0.3836	0.7650	0.021*
H2N	0.8110	0.3255	0.7932	0.021*
H3N	0.7781	0.4525	0.7696	0.021*
N2N	0.4962 (5)	0.7703 (5)	0.90568 (15)	0.0279 (10)
H4N	0.4498	0.8503	0.9143	0.033*
C1N	0.5167 (5)	0.5980 (5)	0.79126 (14)	0.0152 (8)
C2N	0.6462 (5)	0.4836 (5)	0.81099 (13)	0.0132 (8)
H21N	0.6228	0.4231	0.8278	0.016*
C3N	0.7107 (5)	0.5415 (5)	0.83500 (14)	0.0173 (9)
H31N	0.7994	0.4672	0.8445	0.021*
H32N	0.7268	0.6071	0.8187	0.021*
C4N	0.5700 (6)	0.7428 (6)	0.87287 (16)	0.0231 (10)
H41N	0.5796	0.8076	0.8563	0.028*
C5N	0.6268 (5)	0.6103 (5)	0.86783 (15)	0.0190 (9)
C6N	0.5894 (5)	0.5476 (6)	0.89952 (15)	0.0201 (9)
C7N	0.6185 (6)	0.4162 (6)	0.91066 (16)	0.0239 (10)
H71N	0.6745	0.3449	0.8956	0.029*
C8N	0.5649 (7)	0.3897 (7)	0.94407 (18)	0.0312 (13)
H81N	0.5832	0.3003	0.9515	0.037*
C9N	0.4833 (7)	0.4955 (8)	0.96706 (17)	0.0332 (14)
H91N	0.4489	0.4756	0.9901	0.040*
C10N	0.4529 (7)	0.6269 (8)	0.95650 (17)	0.0337 (14)
H10N	0.3971	0.6979	0.9717	0.040*
C11N	0.5066 (6)	0.6525 (6)	0.92274 (16)	0.0236 (10)
O1O	0.2892 (4)	0.3676 (4)	0.75593 (10)	0.0170 (7)
O2O	0.1880 (4)	0.3886 (4)	0.81176 (12)	0.0299 (10)
N1O	0.5109 (4)	0.1361 (4)	0.78058 (13)	0.0180 (8)
H1O	0.4671	0.1183	0.7632	0.027*
H2O	0.5771	0.0570	0.7920	0.027*
H3O	0.5482	0.1839	0.7689	0.027*
N2O	0.7531 (5)	0.0193 (5)	0.90101 (14)	0.0250 (9)
H4O	0.8379	−0.0291	0.9085	0.030*
C1O	0.2864 (5)	0.3332 (5)	0.79070 (14)	0.0159 (8)
C2O	0.4141 (5)	0.2159 (5)	0.80923 (13)	0.0137 (8)
H21O	0.3882	0.1555	0.8250	0.016*
C3O	0.4798 (6)	0.2671 (5)	0.83530 (14)	0.0191 (9)
H31O	0.5326	0.3004	0.8196	0.023*
H32O	0.4075	0.3448	0.8476	0.023*
C4O	0.7083 (6)	0.1051 (6)	0.86839 (16)	0.0227 (10)
H41O	0.7644	0.1212	0.8507	0.027*
C5O	0.5707 (5)	0.1639 (5)	0.86527 (14)	0.0189 (9)
C6O	0.5291 (5)	0.1115 (5)	0.89789 (14)	0.0167 (9)
C7O	0.4028 (6)	0.1339 (6)	0.91159 (16)	0.0232 (10)
H71O	0.3227	0.1926	0.8974	0.028*
C8O	0.3966 (7)	0.0696 (7)	0.94597 (18)	0.0281 (12)
H81O	0.3113	0.0857	0.9553	0.034*
C9O	0.5126 (7)	−0.0182 (7)	0.96727 (16)	0.0301 (13)
H91O	0.5049	−0.0601	0.9909	0.036*
C10O	0.6399 (7)	−0.0453 (7)	0.95425 (17)	0.0294 (12)
H10O	0.7193	−0.1068	0.9683	0.035*
C11O	0.6467 (5)	0.0207 (5)	0.91997 (15)	0.0208 (10)
O1P	0.7879 (4)	0.8685 (4)	0.75595 (10)	0.0175 (7)
O2P	0.6867 (4)	0.8878 (5)	0.81189 (13)	0.0315 (10)
N1P	1.0104 (4)	0.6370 (4)	0.78028 (12)	0.0163 (8)
H1P	0.9642	0.6265	0.7619	0.024*
H2P	1.0727	0.5544	0.7910	0.024*
H3P	1.0529	0.6815	0.7700	0.024*
N2P	1.2524 (5)	0.5165 (5)	0.90015 (14)	0.0254 (10)
H4P	1.3371	0.4670	0.9076	0.030*
C1P	0.7861 (5)	0.8328 (5)	0.79088 (14)	0.0165 (9)
C2P	0.9149 (5)	0.7161 (5)	0.80959 (14)	0.0161 (8)
H21P	0.8899	0.6552	0.8255	0.019*
C3P	0.9801 (6)	0.7680 (5)	0.83517 (15)	0.0207 (10)
H31P	1.0321	0.8017	0.8193	0.025*
H32P	0.9078	0.8453	0.8476	0.025*
C4P	1.2088 (6)	0.6043 (6)	0.86820 (16)	0.0237 (11)
H41P	1.2656	0.6207	0.8509	0.028*
C5P	1.0717 (6)	0.6648 (5)	0.86484 (15)	0.0194 (9)
C6P	1.0286 (5)	0.6112 (5)	0.89717 (14)	0.0181 (9)
C7P	0.9012 (6)	0.6346 (6)	0.91035 (16)	0.0226 (10)
H71P	0.8216	0.6964	0.8964	0.027*
C8P	0.8933 (8)	0.5671 (7)	0.94372 (19)	0.0339 (14)
H81P	0.8078	0.5828	0.9528	0.041*
C9P	1.0105 (8)	0.4757 (7)	0.96432 (17)	0.0357 (15)
H91P	1.0027	0.4311	0.9874	0.043*
C10P	1.1380 (8)	0.4481 (7)	0.95196 (18)	0.0330 (14)
H10P	1.2168	0.3842	0.9659	0.040*
C11P	1.1463 (6)	0.5172 (6)	0.91850 (16)	0.0232 (10)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1A	0.0167 (16)	0.0173 (16)	0.0171 (16)	−0.0096 (13)	−0.0004 (12)	0.0028 (13)
O2A	0.037 (2)	0.0255 (19)	0.0203 (18)	−0.0240 (18)	−0.0081 (16)	0.0032 (15)
N1A	0.0166 (18)	0.0163 (18)	0.0146 (18)	−0.0095 (15)	0.0010 (14)	−0.0023 (14)
N2A	0.029 (2)	0.022 (2)	0.030 (3)	−0.013 (2)	0.005 (2)	−0.0079 (19)
C1A	0.0127 (19)	0.0112 (18)	0.018 (2)	−0.0058 (16)	0.0007 (16)	0.0001 (16)
C2A	0.014 (2)	0.0144 (19)	0.0141 (19)	−0.0079 (16)	0.0009 (15)	−0.0002 (15)
C3A	0.013 (2)	0.021 (2)	0.017 (2)	−0.0096 (18)	0.0028 (16)	−0.0043 (17)
C4A	0.023 (2)	0.022 (2)	0.026 (3)	−0.012 (2)	0.006 (2)	−0.008 (2)
C5A	0.018 (2)	0.025 (2)	0.017 (2)	−0.012 (2)	0.0013 (17)	−0.0003 (18)
C6A	0.015 (2)	0.020 (2)	0.019 (2)	−0.0086 (18)	0.0018 (17)	−0.0025 (18)
C7A	0.026 (3)	0.022 (2)	0.021 (2)	−0.014 (2)	−0.0010 (19)	0.0030 (19)
C8A	0.032 (3)	0.041 (3)	0.024 (3)	−0.022 (3)	−0.005 (2)	0.011 (2)
C9A	0.047 (4)	0.061 (5)	0.016 (3)	−0.036 (4)	−0.005 (2)	0.005 (3)
C10A	0.037 (3)	0.051 (4)	0.023 (3)	−0.029 (3)	0.006 (2)	−0.013 (3)
C11A	0.024 (3)	0.029 (3)	0.021 (2)	−0.017 (2)	0.006 (2)	−0.006 (2)
O1B	0.0206 (17)	0.0177 (16)	0.0137 (15)	−0.0120 (14)	−0.0018 (12)	0.0041 (12)
O2B	0.034 (2)	0.0228 (18)	0.0219 (18)	−0.0224 (17)	−0.0075 (16)	0.0015 (14)
N1B	0.0183 (19)	0.0135 (17)	0.0148 (18)	−0.0078 (15)	−0.0006 (14)	−0.0016 (14)
N2B	0.029 (2)	0.022 (2)	0.025 (2)	−0.0131 (19)	0.0076 (19)	−0.0102 (18)
C1B	0.016 (2)	0.0116 (18)	0.019 (2)	−0.0087 (16)	0.0006 (16)	0.0004 (16)
C2B	0.015 (2)	0.0136 (19)	0.016 (2)	−0.0097 (17)	0.0015 (16)	−0.0026 (15)
C3B	0.019 (2)	0.024 (2)	0.018 (2)	−0.012 (2)	−0.0006 (17)	−0.0034 (18)
C4B	0.019 (2)	0.020 (2)	0.023 (2)	−0.0085 (19)	0.0043 (19)	−0.0041 (19)
C5B	0.015 (2)	0.020 (2)	0.018 (2)	−0.0079 (18)	0.0041 (17)	−0.0045 (17)
C6B	0.020 (2)	0.023 (2)	0.017 (2)	−0.0117 (19)	0.0040 (17)	−0.0059 (18)
C7B	0.029 (3)	0.024 (2)	0.016 (2)	−0.013 (2)	0.0046 (19)	−0.0025 (19)
C8B	0.024 (3)	0.034 (3)	0.022 (3)	−0.016 (2)	−0.002 (2)	0.005 (2)
C9B	0.035 (3)	0.050 (4)	0.014 (2)	−0.024 (3)	−0.003 (2)	0.003 (2)
C10B	0.036 (3)	0.043 (3)	0.017 (2)	−0.026 (3)	0.002 (2)	−0.006 (2)
C11B	0.027 (3)	0.028 (3)	0.015 (2)	−0.017 (2)	0.0075 (19)	−0.0090 (19)
O1C	0.0125 (15)	0.0171 (16)	0.0184 (17)	−0.0056 (13)	−0.0012 (12)	0.0008 (13)
O2C	0.047 (3)	0.0218 (19)	0.027 (2)	−0.0254 (19)	−0.0161 (18)	0.0089 (16)
N1C	0.0161 (18)	0.0132 (17)	0.0173 (19)	−0.0080 (15)	0.0034 (14)	0.0004 (14)
N2C	0.031 (3)	0.029 (2)	0.024 (2)	−0.021 (2)	0.0019 (19)	−0.0038 (19)
C1C	0.015 (2)	0.0110 (18)	0.020 (2)	−0.0090 (16)	−0.0006 (16)	0.0005 (16)
C2C	0.0123 (19)	0.015 (2)	0.016 (2)	−0.0066 (16)	−0.0006 (15)	0.0000 (16)
C3C	0.013 (2)	0.019 (2)	0.020 (2)	−0.0033 (18)	0.0026 (17)	0.0026 (18)
C4C	0.021 (2)	0.025 (2)	0.023 (2)	−0.014 (2)	0.0030 (19)	−0.007 (2)
C5C	0.016 (2)	0.023 (2)	0.016 (2)	−0.0108 (19)	0.0018 (17)	−0.0044 (18)
C6C	0.018 (2)	0.023 (2)	0.014 (2)	−0.0116 (19)	0.0029 (17)	−0.0034 (17)
C7C	0.019 (2)	0.023 (2)	0.025 (3)	−0.010 (2)	−0.0024 (19)	−0.002 (2)
C8C	0.032 (3)	0.031 (3)	0.027 (3)	−0.013 (3)	−0.009 (2)	−0.008 (2)
C9C	0.033 (3)	0.030 (3)	0.021 (3)	−0.008 (2)	0.000 (2)	−0.004 (2)
C10C	0.039 (3)	0.030 (3)	0.018 (3)	−0.012 (3)	0.003 (2)	0.002 (2)
C11C	0.022 (2)	0.020 (2)	0.018 (2)	−0.0091 (19)	0.0054 (18)	−0.0026 (18)
O1D	0.0161 (16)	0.0163 (16)	0.0151 (16)	−0.0063 (13)	−0.0004 (12)	−0.0015 (12)
O2D	0.050 (3)	0.0205 (19)	0.025 (2)	−0.0248 (19)	−0.0151 (19)	0.0068 (15)
N1D	0.0165 (18)	0.0173 (18)	0.0147 (18)	−0.0113 (16)	0.0000 (14)	0.0014 (14)
N2D	0.035 (3)	0.031 (2)	0.031 (3)	−0.026 (2)	0.008 (2)	−0.006 (2)
C1D	0.016 (2)	0.0096 (17)	0.018 (2)	−0.0095 (16)	0.0000 (16)	0.0005 (15)
C2D	0.0133 (19)	0.0119 (18)	0.0140 (19)	−0.0062 (16)	−0.0012 (15)	0.0008 (15)
C3D	0.016 (2)	0.018 (2)	0.019 (2)	−0.0042 (18)	0.0028 (17)	−0.0007 (18)
C4D	0.022 (2)	0.029 (3)	0.024 (3)	−0.015 (2)	0.005 (2)	−0.008 (2)
C5D	0.016 (2)	0.023 (2)	0.016 (2)	−0.0076 (18)	0.0044 (17)	−0.0052 (18)
C6D	0.024 (2)	0.019 (2)	0.011 (2)	−0.0124 (19)	0.0055 (17)	−0.0055 (16)
C7D	0.023 (2)	0.023 (2)	0.020 (2)	−0.012 (2)	0.0007 (19)	−0.0053 (19)
C8D	0.026 (3)	0.031 (3)	0.026 (3)	−0.007 (2)	−0.008 (2)	−0.009 (2)
C9D	0.042 (4)	0.032 (3)	0.017 (3)	−0.003 (3)	−0.001 (2)	−0.004 (2)
C10D	0.049 (4)	0.026 (3)	0.018 (3)	−0.013 (3)	0.014 (3)	0.001 (2)
C11D	0.029 (3)	0.019 (2)	0.019 (2)	−0.013 (2)	0.008 (2)	−0.0052 (18)
O1E	0.0156 (16)	0.0164 (15)	0.0176 (16)	−0.0082 (13)	0.0003 (12)	0.0007 (13)
O2E	0.033 (2)	0.0113 (15)	0.0231 (18)	−0.0107 (15)	0.0082 (16)	−0.0045 (13)
N1E	0.019 (2)	0.0139 (17)	0.0159 (18)	−0.0077 (15)	−0.0016 (15)	−0.0014 (14)
N2E	0.030 (3)	0.030 (2)	0.026 (2)	−0.019 (2)	0.0001 (19)	−0.0072 (19)
C1E	0.0120 (19)	0.0141 (19)	0.019 (2)	−0.0083 (16)	−0.0030 (16)	0.0001 (16)
C2E	0.0124 (19)	0.0114 (18)	0.016 (2)	−0.0044 (16)	−0.0012 (15)	−0.0002 (15)
C3E	0.017 (2)	0.014 (2)	0.018 (2)	−0.0051 (17)	−0.0030 (17)	−0.0004 (17)
C4E	0.023 (3)	0.026 (3)	0.022 (2)	−0.013 (2)	−0.0033 (19)	−0.004 (2)
C5E	0.019 (2)	0.021 (2)	0.012 (2)	−0.0083 (19)	−0.0036 (16)	0.0015 (17)
C6E	0.019 (2)	0.015 (2)	0.018 (2)	−0.0056 (18)	−0.0023 (17)	0.0020 (17)
C7E	0.023 (2)	0.025 (2)	0.018 (2)	−0.012 (2)	−0.0012 (19)	0.0009 (19)
C8E	0.027 (3)	0.030 (3)	0.024 (3)	−0.014 (2)	0.001 (2)	0.005 (2)
C9E	0.031 (3)	0.034 (3)	0.018 (2)	−0.010 (3)	0.001 (2)	−0.003 (2)
C10E	0.039 (3)	0.029 (3)	0.018 (2)	−0.013 (3)	−0.005 (2)	−0.004 (2)
C11E	0.029 (3)	0.021 (2)	0.021 (2)	−0.011 (2)	−0.007 (2)	−0.0017 (19)
O1F	0.0212 (17)	0.0183 (16)	0.0117 (15)	−0.0124 (14)	−0.0003 (12)	0.0024 (12)
O2F	0.029 (2)	0.0132 (16)	0.0207 (18)	−0.0078 (15)	0.0064 (15)	−0.0023 (13)
N1F	0.0172 (18)	0.0113 (16)	0.0152 (18)	−0.0071 (15)	−0.0013 (14)	−0.0001 (14)
N2F	0.029 (3)	0.026 (2)	0.032 (3)	−0.017 (2)	−0.009 (2)	−0.004 (2)
C1F	0.015 (2)	0.0146 (19)	0.015 (2)	−0.0094 (17)	−0.0006 (15)	0.0008 (16)
C2F	0.0141 (19)	0.0118 (18)	0.0130 (19)	−0.0073 (16)	0.0014 (15)	−0.0015 (15)
C3F	0.014 (2)	0.0129 (19)	0.019 (2)	−0.0037 (16)	−0.0003 (16)	−0.0019 (16)
C4F	0.022 (2)	0.024 (2)	0.028 (3)	−0.012 (2)	−0.008 (2)	0.001 (2)
C5F	0.020 (2)	0.018 (2)	0.017 (2)	−0.0077 (18)	−0.0030 (18)	−0.0012 (17)
C6F	0.021 (2)	0.015 (2)	0.016 (2)	−0.0072 (18)	−0.0034 (17)	0.0012 (17)
C7F	0.030 (3)	0.023 (2)	0.019 (2)	−0.015 (2)	−0.007 (2)	0.0028 (19)
C8F	0.029 (3)	0.031 (3)	0.023 (3)	−0.014 (2)	0.002 (2)	0.007 (2)
C9F	0.046 (4)	0.031 (3)	0.013 (2)	−0.010 (3)	−0.004 (2)	0.001 (2)
C10F	0.041 (4)	0.027 (3)	0.019 (3)	−0.013 (3)	−0.009 (2)	−0.003 (2)
C11F	0.029 (3)	0.023 (2)	0.021 (2)	−0.016 (2)	−0.008 (2)	−0.0003 (19)
O1G	0.0194 (17)	0.0170 (16)	0.0168 (16)	−0.0108 (14)	0.0003 (13)	0.0014 (13)
O2G	0.043 (3)	0.0214 (19)	0.026 (2)	−0.0210 (19)	0.0123 (18)	−0.0068 (16)
N1G	0.022 (2)	0.0146 (18)	0.0162 (19)	−0.0096 (16)	−0.0005 (15)	−0.0019 (15)
N2G	0.027 (2)	0.0151 (19)	0.024 (2)	−0.0103 (18)	−0.0056 (18)	0.0032 (16)
C1G	0.015 (2)	0.016 (2)	0.019 (2)	−0.0100 (17)	0.0017 (16)	0.0010 (17)
C2G	0.014 (2)	0.0153 (19)	0.0119 (19)	−0.0069 (16)	−0.0005 (15)	0.0013 (15)
C3G	0.016 (2)	0.026 (2)	0.020 (2)	−0.013 (2)	−0.0031 (17)	0.0013 (19)
C4G	0.024 (2)	0.020 (2)	0.022 (2)	−0.012 (2)	−0.0053 (19)	−0.0040 (18)
C5G	0.020 (2)	0.021 (2)	0.016 (2)	−0.0131 (19)	−0.0026 (17)	−0.0003 (17)
C6G	0.021 (2)	0.017 (2)	0.014 (2)	−0.0094 (18)	−0.0052 (17)	0.0012 (16)
C7G	0.029 (3)	0.020 (2)	0.020 (2)	−0.014 (2)	0.000 (2)	−0.0038 (18)
C8G	0.025 (3)	0.031 (3)	0.029 (3)	−0.013 (2)	0.007 (2)	−0.014 (2)
C9G	0.040 (3)	0.042 (3)	0.015 (2)	−0.026 (3)	0.002 (2)	−0.003 (2)
C10G	0.037 (3)	0.026 (3)	0.020 (2)	−0.019 (2)	−0.005 (2)	0.001 (2)
C11G	0.031 (3)	0.018 (2)	0.016 (2)	−0.015 (2)	−0.0076 (19)	0.0040 (17)
O1H	0.0158 (16)	0.0171 (16)	0.0157 (16)	−0.0090 (13)	0.0006 (12)	0.0031 (12)
O2H	0.044 (3)	0.028 (2)	0.026 (2)	−0.024 (2)	0.0140 (19)	−0.0109 (17)
N1H	0.0178 (19)	0.0171 (18)	0.0141 (18)	−0.0103 (16)	−0.0031 (14)	0.0003 (14)
N2H	0.034 (3)	0.017 (2)	0.027 (2)	−0.0127 (19)	−0.010 (2)	0.0056 (17)
C1H	0.013 (2)	0.017 (2)	0.018 (2)	−0.0083 (17)	0.0021 (16)	0.0014 (17)
C2H	0.0126 (19)	0.0148 (19)	0.014 (2)	−0.0054 (16)	−0.0011 (15)	0.0001 (16)
C3H	0.018 (2)	0.029 (3)	0.017 (2)	−0.017 (2)	−0.0001 (17)	0.0003 (19)
C4H	0.023 (2)	0.018 (2)	0.024 (3)	−0.007 (2)	−0.004 (2)	−0.0040 (19)
C5H	0.022 (2)	0.021 (2)	0.013 (2)	−0.0134 (19)	−0.0030 (17)	−0.0011 (17)
C6H	0.020 (2)	0.020 (2)	0.014 (2)	−0.0114 (19)	−0.0035 (17)	0.0023 (17)
C7H	0.020 (2)	0.027 (3)	0.025 (3)	−0.010 (2)	0.004 (2)	−0.010 (2)
C8H	0.028 (3)	0.057 (4)	0.024 (3)	−0.022 (3)	0.011 (2)	−0.019 (3)
C9H	0.034 (3)	0.073 (5)	0.015 (3)	−0.035 (4)	0.002 (2)	−0.006 (3)
C10H	0.045 (4)	0.050 (4)	0.017 (2)	−0.037 (3)	−0.005 (2)	0.006 (2)
C11H	0.033 (3)	0.031 (3)	0.013 (2)	−0.022 (2)	−0.0087 (19)	0.0058 (19)
O1I	0.0167 (16)	0.0175 (16)	0.0166 (17)	−0.0077 (13)	−0.0020 (13)	0.0001 (13)
O2I	0.0252 (19)	0.0149 (16)	0.0209 (18)	−0.0028 (15)	−0.0051 (15)	−0.0030 (14)
N1I	0.0120 (17)	0.0154 (18)	0.0148 (18)	−0.0046 (15)	0.0007 (14)	0.0002 (14)
N2I	0.022 (2)	0.025 (2)	0.029 (2)	−0.0081 (19)	0.0089 (19)	−0.0041 (19)
C1I	0.0117 (19)	0.0130 (19)	0.016 (2)	−0.0060 (16)	−0.0026 (15)	0.0032 (16)
C2I	0.0126 (19)	0.0119 (18)	0.016 (2)	−0.0063 (16)	−0.0012 (15)	0.0004 (15)
C3I	0.024 (2)	0.016 (2)	0.019 (2)	−0.0107 (19)	0.0024 (18)	−0.0025 (17)
C4I	0.020 (2)	0.021 (2)	0.026 (3)	−0.012 (2)	0.0050 (19)	0.0012 (19)
C5I	0.022 (2)	0.016 (2)	0.018 (2)	−0.0134 (19)	0.0019 (17)	0.0024 (17)
C6I	0.022 (2)	0.018 (2)	0.017 (2)	−0.0110 (19)	0.0031 (18)	0.0031 (17)
C7I	0.027 (3)	0.020 (2)	0.019 (2)	−0.009 (2)	0.0011 (19)	0.0012 (18)
C8I	0.036 (3)	0.032 (3)	0.023 (3)	−0.017 (3)	−0.006 (2)	0.004 (2)
C9I	0.047 (4)	0.032 (3)	0.017 (2)	−0.023 (3)	−0.001 (2)	0.000 (2)
C10I	0.043 (4)	0.021 (2)	0.024 (3)	−0.017 (2)	0.013 (2)	−0.003 (2)
C11I	0.028 (3)	0.018 (2)	0.021 (2)	−0.009 (2)	0.009 (2)	0.0012 (19)
O1J	0.0190 (17)	0.0155 (15)	0.0146 (16)	−0.0087 (13)	−0.0037 (13)	0.0030 (12)
O2J	0.028 (2)	0.0157 (17)	0.0241 (19)	−0.0036 (15)	−0.0037 (16)	−0.0042 (14)
N1J	0.0148 (18)	0.0171 (18)	0.0141 (18)	−0.0057 (15)	0.0010 (14)	−0.0019 (14)
N2J	0.020 (2)	0.032 (3)	0.029 (2)	−0.014 (2)	0.0078 (18)	−0.008 (2)
C1J	0.0096 (19)	0.0135 (19)	0.019 (2)	−0.0052 (16)	−0.0026 (16)	0.0022 (16)
C2J	0.015 (2)	0.0128 (18)	0.0138 (19)	−0.0076 (16)	−0.0001 (15)	−0.0009 (15)
C3J	0.021 (2)	0.016 (2)	0.019 (2)	−0.0117 (18)	0.0048 (18)	−0.0019 (17)
C4J	0.017 (2)	0.022 (2)	0.023 (2)	−0.0104 (19)	0.0034 (18)	−0.0020 (19)
C5J	0.022 (2)	0.022 (2)	0.014 (2)	−0.013 (2)	0.0019 (17)	−0.0009 (17)
C6J	0.021 (2)	0.021 (2)	0.016 (2)	−0.013 (2)	0.0031 (17)	−0.0001 (17)
C7J	0.023 (2)	0.021 (2)	0.021 (2)	−0.011 (2)	−0.0012 (19)	0.0015 (19)
C8J	0.035 (3)	0.030 (3)	0.031 (3)	−0.019 (3)	−0.011 (3)	0.007 (2)
C9J	0.047 (4)	0.037 (3)	0.015 (2)	−0.026 (3)	−0.001 (2)	−0.003 (2)
C10J	0.040 (3)	0.029 (3)	0.023 (3)	−0.018 (3)	0.003 (2)	−0.002 (2)
C11J	0.025 (3)	0.021 (2)	0.020 (2)	−0.012 (2)	0.0032 (19)	−0.0012 (19)
O1K	0.0157 (16)	0.0153 (15)	0.0177 (16)	−0.0073 (13)	−0.0043 (12)	0.0027 (12)
O2K	0.0202 (19)	0.0216 (19)	0.028 (2)	0.0009 (15)	−0.0088 (16)	−0.0101 (16)
N1K	0.0144 (18)	0.0131 (17)	0.0152 (18)	−0.0066 (15)	−0.0012 (14)	0.0009 (14)
N2K	0.024 (2)	0.018 (2)	0.024 (2)	−0.0080 (18)	0.0055 (18)	0.0002 (17)
C1K	0.0077 (18)	0.0106 (18)	0.018 (2)	−0.0024 (15)	−0.0015 (15)	0.0007 (15)
C2K	0.015 (2)	0.0136 (19)	0.014 (2)	−0.0063 (17)	−0.0024 (16)	0.0012 (15)
C3K	0.016 (2)	0.023 (2)	0.017 (2)	−0.0118 (19)	−0.0012 (17)	0.0041 (18)
C4K	0.028 (3)	0.020 (2)	0.018 (2)	−0.014 (2)	0.0017 (19)	−0.0024 (18)
C5K	0.016 (2)	0.024 (2)	0.016 (2)	−0.0120 (19)	0.0030 (17)	−0.0001 (18)
C6K	0.014 (2)	0.022 (2)	0.016 (2)	−0.0103 (18)	0.0033 (16)	−0.0003 (17)
C7K	0.020 (2)	0.021 (2)	0.027 (3)	−0.010 (2)	0.002 (2)	−0.003 (2)
C8K	0.025 (3)	0.028 (3)	0.024 (3)	−0.013 (2)	0.002 (2)	−0.008 (2)
C9K	0.021 (3)	0.040 (3)	0.016 (2)	−0.013 (2)	0.0017 (19)	−0.003 (2)
C10K	0.028 (3)	0.039 (3)	0.015 (2)	−0.016 (3)	0.000 (2)	0.007 (2)
C11K	0.019 (2)	0.023 (2)	0.017 (2)	−0.0077 (19)	0.0022 (17)	0.0029 (18)
O1L	0.0176 (16)	0.0177 (16)	0.0145 (15)	−0.0086 (13)	−0.0024 (12)	−0.0010 (12)
O2L	0.0191 (19)	0.0208 (19)	0.028 (2)	0.0059 (15)	−0.0076 (16)	−0.0117 (16)
N1L	0.0160 (19)	0.0123 (17)	0.0188 (19)	−0.0055 (15)	−0.0002 (15)	0.0000 (14)
N2L	0.026 (2)	0.018 (2)	0.031 (3)	−0.0079 (18)	0.007 (2)	0.0033 (18)
C1L	0.0085 (18)	0.0113 (18)	0.018 (2)	−0.0014 (15)	−0.0023 (15)	−0.0003 (16)
C2L	0.015 (2)	0.0122 (19)	0.016 (2)	−0.0066 (16)	−0.0031 (16)	0.0022 (15)
C3L	0.019 (2)	0.027 (2)	0.018 (2)	−0.016 (2)	−0.0031 (18)	0.0055 (19)
C4L	0.025 (3)	0.024 (3)	0.024 (3)	−0.012 (2)	0.006 (2)	−0.003 (2)
C5L	0.016 (2)	0.022 (2)	0.015 (2)	−0.0109 (19)	0.0023 (16)	−0.0024 (17)
C6L	0.017 (2)	0.017 (2)	0.014 (2)	−0.0065 (18)	0.0003 (16)	−0.0007 (16)
C7L	0.027 (3)	0.030 (3)	0.024 (3)	−0.017 (2)	0.003 (2)	−0.007 (2)
C8L	0.040 (3)	0.049 (4)	0.028 (3)	−0.032 (3)	0.008 (3)	−0.018 (3)
C9L	0.026 (3)	0.082 (6)	0.014 (2)	−0.034 (4)	0.001 (2)	−0.006 (3)
C10L	0.025 (3)	0.065 (5)	0.017 (3)	−0.020 (3)	0.001 (2)	0.009 (3)
C11L	0.020 (2)	0.028 (3)	0.019 (2)	−0.009 (2)	0.0050 (19)	0.005 (2)
O1M	0.0170 (16)	0.0173 (16)	0.0164 (16)	−0.0082 (13)	−0.0042 (13)	0.0043 (13)
O2M	0.0142 (17)	0.0263 (19)	0.0230 (19)	−0.0054 (15)	0.0034 (14)	0.0035 (15)
N1M	0.0105 (17)	0.0143 (17)	0.0159 (18)	−0.0042 (14)	−0.0003 (14)	−0.0039 (14)
N2M	0.025 (2)	0.027 (2)	0.024 (2)	−0.0099 (19)	0.0020 (18)	−0.0108 (18)
C1M	0.014 (2)	0.0099 (18)	0.020 (2)	−0.0060 (16)	−0.0037 (16)	0.0003 (16)
C2M	0.0102 (18)	0.0135 (19)	0.015 (2)	−0.0054 (16)	−0.0020 (15)	−0.0005 (15)
C3M	0.0117 (19)	0.021 (2)	0.017 (2)	−0.0081 (17)	−0.0001 (16)	−0.0029 (17)
C4M	0.024 (3)	0.023 (2)	0.023 (2)	−0.012 (2)	−0.003 (2)	−0.003 (2)
C5M	0.021 (2)	0.022 (2)	0.012 (2)	−0.0109 (19)	−0.0008 (17)	−0.0039 (17)
C6M	0.018 (2)	0.025 (2)	0.014 (2)	−0.0122 (19)	−0.0012 (17)	−0.0026 (17)
C7M	0.022 (2)	0.021 (2)	0.025 (3)	−0.008 (2)	−0.005 (2)	−0.003 (2)
C8M	0.035 (3)	0.030 (3)	0.020 (3)	−0.016 (3)	−0.003 (2)	0.004 (2)
C9M	0.035 (3)	0.046 (4)	0.015 (2)	−0.023 (3)	−0.001 (2)	0.001 (2)
C10M	0.025 (3)	0.039 (3)	0.019 (3)	−0.012 (2)	0.002 (2)	−0.009 (2)
C11M	0.021 (2)	0.027 (3)	0.023 (3)	−0.010 (2)	−0.0022 (19)	−0.006 (2)
O1N	0.0192 (16)	0.0159 (15)	0.0128 (15)	−0.0090 (13)	−0.0019 (12)	0.0024 (12)
O2N	0.0104 (15)	0.0237 (18)	0.0237 (18)	−0.0046 (14)	0.0024 (13)	0.0044 (14)
N1N	0.0123 (17)	0.0152 (17)	0.0148 (18)	−0.0065 (15)	0.0000 (14)	−0.0008 (14)
N2N	0.027 (2)	0.025 (2)	0.029 (3)	−0.009 (2)	0.002 (2)	−0.0108 (19)
C1N	0.016 (2)	0.0107 (18)	0.018 (2)	−0.0061 (16)	−0.0035 (16)	0.0006 (16)
C2N	0.0115 (19)	0.0131 (19)	0.015 (2)	−0.0066 (16)	0.0003 (15)	0.0016 (15)
C3N	0.016 (2)	0.022 (2)	0.018 (2)	−0.0123 (18)	−0.0011 (17)	−0.0033 (18)
C4N	0.027 (3)	0.021 (2)	0.025 (3)	−0.015 (2)	−0.004 (2)	−0.002 (2)
C5N	0.021 (2)	0.022 (2)	0.018 (2)	−0.012 (2)	−0.0026 (18)	−0.0051 (18)
C6N	0.018 (2)	0.027 (2)	0.017 (2)	−0.012 (2)	−0.0024 (17)	−0.0019 (19)
C7N	0.024 (3)	0.026 (3)	0.024 (3)	−0.014 (2)	−0.005 (2)	−0.001 (2)
C8N	0.036 (3)	0.038 (3)	0.023 (3)	−0.023 (3)	−0.005 (2)	0.008 (2)
C9N	0.036 (3)	0.052 (4)	0.016 (2)	−0.026 (3)	0.002 (2)	0.003 (2)
C10N	0.031 (3)	0.052 (4)	0.019 (3)	−0.021 (3)	0.001 (2)	−0.009 (3)
C11N	0.018 (2)	0.029 (3)	0.023 (3)	−0.011 (2)	0.0000 (19)	−0.007 (2)
O1O	0.0189 (17)	0.0162 (16)	0.0153 (16)	−0.0085 (14)	−0.0023 (13)	0.0009 (12)
O2O	0.0207 (19)	0.025 (2)	0.025 (2)	0.0008 (16)	0.0063 (16)	0.0065 (16)
N1O	0.0145 (19)	0.0180 (19)	0.019 (2)	−0.0066 (16)	−0.0030 (15)	−0.0004 (15)
N2O	0.019 (2)	0.028 (2)	0.026 (2)	−0.0096 (19)	−0.0048 (17)	−0.0042 (19)
C1O	0.0117 (19)	0.016 (2)	0.017 (2)	−0.0055 (17)	−0.0015 (16)	0.0012 (17)
C2O	0.014 (2)	0.0134 (19)	0.014 (2)	−0.0070 (16)	−0.0019 (15)	0.0000 (15)
C3O	0.030 (3)	0.014 (2)	0.015 (2)	−0.0119 (19)	−0.0027 (18)	−0.0016 (16)
C4O	0.020 (2)	0.028 (3)	0.022 (2)	−0.012 (2)	0.0032 (19)	−0.008 (2)
C5O	0.022 (2)	0.020 (2)	0.015 (2)	−0.0109 (19)	−0.0005 (17)	−0.0022 (17)
C6O	0.018 (2)	0.019 (2)	0.015 (2)	−0.0096 (18)	−0.0008 (16)	−0.0031 (17)
C7O	0.023 (2)	0.023 (2)	0.023 (2)	−0.010 (2)	0.0041 (19)	−0.006 (2)
C8O	0.031 (3)	0.033 (3)	0.028 (3)	−0.021 (3)	0.005 (2)	−0.005 (2)
C9O	0.048 (4)	0.031 (3)	0.013 (2)	−0.021 (3)	−0.001 (2)	0.000 (2)
C10O	0.037 (3)	0.031 (3)	0.019 (2)	−0.017 (3)	−0.007 (2)	0.002 (2)
C11O	0.018 (2)	0.022 (2)	0.018 (2)	−0.0064 (19)	−0.0043 (18)	−0.0033 (18)
O1P	0.0202 (17)	0.0157 (16)	0.0170 (16)	−0.0097 (14)	−0.0042 (13)	0.0033 (13)
O2P	0.022 (2)	0.027 (2)	0.026 (2)	−0.0007 (17)	0.0098 (16)	0.0079 (17)
N1P	0.0133 (18)	0.0158 (18)	0.0177 (19)	−0.0055 (15)	0.0004 (14)	−0.0036 (15)
N2P	0.018 (2)	0.029 (2)	0.026 (2)	−0.0079 (18)	−0.0035 (17)	−0.0099 (19)
C1P	0.016 (2)	0.0140 (19)	0.019 (2)	−0.0079 (17)	−0.0026 (17)	0.0019 (17)
C2P	0.018 (2)	0.0124 (19)	0.017 (2)	−0.0067 (17)	−0.0011 (17)	−0.0014 (16)
C3P	0.032 (3)	0.020 (2)	0.018 (2)	−0.019 (2)	−0.005 (2)	0.0007 (18)
C4P	0.022 (3)	0.031 (3)	0.020 (2)	−0.013 (2)	0.0014 (19)	−0.011 (2)
C5P	0.024 (2)	0.022 (2)	0.016 (2)	−0.013 (2)	−0.0028 (18)	−0.0039 (18)
C6P	0.018 (2)	0.022 (2)	0.015 (2)	−0.0108 (19)	−0.0013 (17)	−0.0018 (17)
C7P	0.023 (2)	0.022 (2)	0.020 (2)	−0.009 (2)	0.0039 (19)	−0.0058 (19)
C8P	0.042 (4)	0.037 (3)	0.029 (3)	−0.025 (3)	0.013 (3)	−0.009 (3)
C9P	0.062 (5)	0.030 (3)	0.017 (3)	−0.024 (3)	0.001 (3)	−0.001 (2)
C10P	0.045 (4)	0.027 (3)	0.023 (3)	−0.014 (3)	−0.009 (3)	−0.002 (2)
C11P	0.025 (3)	0.019 (2)	0.019 (2)	−0.005 (2)	−0.0066 (19)	−0.0053 (18)

Geometric parameters (Å, º)

O1A—C1A	1.258 (6)	O1I—C1I	1.263 (6)
O2A—C1A	1.238 (6)	O2I—C1I	1.243 (6)
N1A—C2A	1.486 (6)	N1I—C2I	1.494 (6)
N1A—H1A	0.9100	N1I—H1I	0.9100
N1A—H2A	0.9100	N1I—H2I	0.9100
N1A—H3A	0.9100	N1I—H3I	0.9100
N2A—C11A	1.354 (8)	N2I—C11I	1.378 (8)
N2A—C4A	1.389 (8)	N2I—C4I	1.389 (8)
N2A—H4A	0.8800	N2I—H4I	0.8800
C1A—C2A	1.552 (6)	C1I—C2I	1.538 (6)
C2A—C3A	1.534 (7)	C2I—C3I	1.534 (7)
C2A—H21A	1.0000	C2I—H21I	1.0000
C3A—C5A	1.502 (7)	C3I—C5I	1.506 (7)
C3A—H31A	0.9900	C3I—H31I	0.9900
C3A—H32A	0.9900	C3I—H32I	0.9900
C4A—C5A	1.380 (8)	C4I—C5I	1.354 (7)
C4A—H41A	0.9500	C4I—H41I	0.9500
C5A—C6A	1.432 (7)	C5I—C6I	1.435 (7)
C6A—C7A	1.399 (7)	C6I—C7I	1.395 (8)
C6A—C11A	1.437 (7)	C6I—C11I	1.414 (7)
C7A—C8A	1.390 (8)	C7I—C8I	1.385 (8)
C7A—H71A	0.9500	C7I—H71I	0.9500
C8A—C9A	1.405 (11)	C8I—C9I	1.407 (10)
C8A—H81A	0.9500	C8I—H81I	0.9500
C9A—C10A	1.371 (11)	C9I—C10I	1.385 (10)
C9A—H91A	0.9500	C9I—H91I	0.9500
C10A—C11A	1.412 (9)	C10I—C11I	1.406 (9)
C10A—H10A	0.9500	C10I—H10I	0.9500
O1B—C1B	1.265 (6)	O1J—C1J	1.265 (6)
O2B—C1B	1.237 (6)	O2J—C1J	1.237 (6)
N1B—C2B	1.498 (6)	N1J—C2J	1.488 (6)
N1B—H1B	0.9100	N1J—H1J	0.9100
N1B—H2B	0.9100	N1J—H2J	0.9100
N1B—H3B	0.9100	N1J—H3J	0.9100
N2B—C11B	1.364 (8)	N2J—C4J	1.373 (7)
N2B—C4B	1.390 (7)	N2J—C11J	1.377 (8)
N2B—H4B	0.8800	N2J—H4J	0.8800
C1B—C2B	1.558 (6)	C1J—C2J	1.544 (6)
C2B—C3B	1.547 (7)	C2J—C3J	1.546 (7)
C2B—H21B	1.0000	C2J—H21J	1.0000
C3B—C5B	1.503 (7)	C3J—C5J	1.493 (7)
C3B—H31B	0.9900	C3J—H31J	0.9900
C3B—H32B	0.9900	C3J—H32J	0.9900
C4B—C5B	1.352 (7)	C4J—C5J	1.368 (7)
C4B—H41B	0.9500	C4J—H41J	0.9500
C5B—C6B	1.435 (7)	C5J—C6J	1.438 (7)
C6B—C7B	1.391 (8)	C6J—C7J	1.394 (7)
C6B—C11B	1.430 (7)	C6J—C11J	1.415 (7)
C7B—C8B	1.404 (8)	C7J—C8J	1.399 (8)
C7B—H71B	0.9500	C7J—H71J	0.9500
C8B—C9B	1.414 (10)	C8J—C9J	1.412 (10)
C8B—H81B	0.9500	C8J—H81J	0.9500
C9B—C10B	1.388 (10)	C9J—C10J	1.382 (10)
C9B—H91B	0.9500	C9J—H91J	0.9500
C10B—C11B	1.403 (8)	C10J—C11J	1.400 (8)
C10B—H10B	0.9500	C10J—H10J	0.9500
O1C—C1C	1.263 (6)	O1K—C1K	1.269 (6)
O2C—C1C	1.242 (6)	O2K—C1K	1.245 (6)
N1C—C2C	1.474 (6)	N1K—C2K	1.479 (6)
N1C—H1C	0.9100	N1K—H1K	0.9100
N1C—H2C	0.9100	N1K—H2K	0.9100
N1C—H3C	0.9100	N1K—H3K	0.9100
N2C—C4C	1.366 (8)	N2K—C4K	1.370 (7)
N2C—C11C	1.369 (7)	N2K—C11K	1.388 (8)
N2C—H4C	0.8800	N2K—H4K	0.8800
C1C—C2C	1.528 (6)	C1K—C2K	1.520 (6)
C2C—C3C	1.530 (7)	C2K—C3K	1.535 (7)
C2C—H21C	1.0000	C2K—H21K	1.0000
C3C—C5C	1.513 (7)	C3K—C5K	1.502 (7)
C3C—H31C	0.9900	C3K—H31K	0.9900
C3C—H32C	0.9900	C3K—H32K	0.9900
C4C—C5C	1.373 (7)	C4K—C5K	1.380 (7)
C4C—H41C	0.9500	C4K—H41K	0.9500
C5C—C6C	1.433 (7)	C5K—C6K	1.435 (7)
C6C—C7C	1.400 (7)	C6K—C7K	1.395 (8)
C6C—C11C	1.432 (7)	C6K—C11K	1.422 (7)
C7C—C8C	1.387 (8)	C7K—C8K	1.399 (8)
C7C—H71C	0.9500	C7K—H71K	0.9500
C8C—C9C	1.409 (10)	C8K—C9K	1.414 (9)
C8C—H81C	0.9500	C8K—H81K	0.9500
C9C—C10C	1.361 (10)	C9K—C10K	1.378 (10)
C9C—H91C	0.9500	C9K—H91K	0.9500
C10C—C11C	1.413 (8)	C10K—C11K	1.393 (8)
C10C—H10C	0.9500	C10K—H10K	0.9500
O1D—C1D	1.265 (6)	O1L—C1L	1.262 (6)
O2D—C1D	1.246 (6)	O2L—C1L	1.244 (6)
N1D—C2D	1.483 (6)	N1L—C2L	1.480 (6)
N1D—H1D	0.9100	N1L—H1L	0.9100
N1D—H2D	0.9100	N1L—H2L	0.9100
N1D—H3D	0.9100	N1L—H3L	0.9100
N2D—C4D	1.374 (8)	N2L—C4L	1.374 (8)
N2D—C11D	1.393 (8)	N2L—C11L	1.375 (8)
N2D—H4D	0.8800	N2L—H4L	0.8800
C1D—C2D	1.520 (6)	C1L—C2L	1.523 (6)
C2D—C3D	1.538 (7)	C2L—C3L	1.544 (7)
C2D—H21D	1.0000	C2L—H21L	1.0000
C3D—C5D	1.498 (7)	C3L—C5L	1.502 (7)
C3D—H31D	0.9900	C3L—H31L	0.9900
C3D—H32D	0.9900	C3L—H32L	0.9900
C4D—C5D	1.358 (8)	C4L—C5L	1.356 (8)
C4D—H41D	0.9500	C4L—H41L	0.9500
C5D—C6D	1.432 (7)	C5L—C6L	1.440 (7)
C6D—C7D	1.400 (7)	C6L—C7L	1.388 (8)
C6D—C11D	1.410 (7)	C6L—C11L	1.424 (7)
C7D—C8D	1.387 (8)	C7L—C8L	1.392 (8)
C7D—H71D	0.9500	C7L—H71L	0.9500
C8D—C9D	1.396 (11)	C8L—C9L	1.412 (11)
C8D—H81D	0.9500	C8L—H81L	0.9500
C9D—C10D	1.368 (11)	C9L—C10L	1.357 (12)
C9D—H91D	0.9500	C9L—H91L	0.9500
C10D—C11D	1.403 (9)	C10L—C11L	1.415 (9)
C10D—H10D	0.9500	C10L—H10L	0.9500
O1E—C1E	1.256 (6)	O1M—C1M	1.257 (6)
O2E—C1E	1.252 (6)	O2M—C1M	1.236 (6)
N1E—C2E	1.499 (6)	N1M—C2M	1.486 (6)
N1E—H1E	0.9100	N1M—H1M	0.9100
N1E—H2E	0.9100	N1M—H2M	0.9100
N1E—H3E	0.9100	N1M—H3M	0.9100
N2E—C11E	1.361 (8)	N2M—C4M	1.372 (8)
N2E—C4E	1.379 (7)	N2M—C11M	1.375 (8)
N2E—H4E	0.8800	N2M—H4M	0.8800
C1E—C2E	1.531 (6)	C1M—C2M	1.539 (6)
C2E—C3E	1.534 (7)	C2M—C3M	1.540 (6)
C2E—H21E	1.0000	C2M—H21M	1.0000
C3E—C5E	1.507 (7)	C3M—C5M	1.502 (7)
C3E—H31E	0.9900	C3M—H31M	0.9900
C3E—H32E	0.9900	C3M—H32M	0.9900
C4E—C5E	1.372 (7)	C4M—C5M	1.368 (7)
C4E—H41E	0.9500	C4M—H41M	0.9500
C5E—C6E	1.437 (7)	C5M—C6M	1.435 (7)
C6E—C7E	1.404 (8)	C6M—C7M	1.399 (8)
C6E—C11E	1.418 (7)	C6M—C11M	1.414 (8)
C7E—C8E	1.385 (8)	C7M—C8M	1.389 (8)
C7E—H71E	0.9500	C7M—H71M	0.9500
C8E—C9E	1.386 (9)	C8M—C9M	1.378 (9)
C8E—H81E	0.9500	C8M—H81M	0.9500
C9E—C10E	1.397 (10)	C9M—C10M	1.393 (10)
C9E—H91E	0.9500	C9M—H91M	0.9500
C10E—C11E	1.400 (9)	C10M—C11M	1.394 (8)
C10E—H10E	0.9500	C10M—H10M	0.9500
O1F—C1F	1.268 (6)	O1N—C1N	1.257 (6)
O2F—C1F	1.248 (6)	O2N—C1N	1.250 (6)
N1F—C2F	1.492 (6)	N1N—C2N	1.491 (6)
N1F—H1F	0.9100	N1N—H1N	0.9100
N1F—H2F	0.9100	N1N—H2N	0.9100
N1F—H3F	0.9100	N1N—H3N	0.9100
N2F—C4F	1.368 (8)	N2N—C11N	1.375 (8)
N2F—C11F	1.377 (8)	N2N—C4N	1.380 (8)
N2F—H4F	0.8800	N2N—H4N	0.8800
C1F—C2F	1.533 (6)	C1N—C2N	1.541 (6)
C2F—C3F	1.543 (7)	C2N—C3N	1.538 (7)
C2F—H21F	1.0000	C2N—H21N	1.0000
C3F—C5F	1.499 (7)	C3N—C5N	1.497 (7)
C3F—H31F	0.9900	C3N—H31N	0.9900
C3F—H32F	0.9900	C3N—H32N	0.9900
C4F—C5F	1.357 (7)	C4N—C5N	1.350 (7)
C4F—H41F	0.9500	C4N—H41N	0.9500
C5F—C6F	1.448 (7)	C5N—C6N	1.443 (8)
C6F—C7F	1.389 (8)	C6N—C7N	1.391 (8)
C6F—C11F	1.426 (7)	C6N—C11N	1.422 (8)
C7F—C8F	1.397 (8)	C7N—C8N	1.392 (8)
C7F—H71F	0.9500	C7N—H71N	0.9500
C8F—C9F	1.395 (10)	C8N—C9N	1.419 (10)
C8F—H81F	0.9500	C8N—H81N	0.9500
C9F—C10F	1.378 (11)	C9N—C10N	1.383 (11)
C9F—H91F	0.9500	C9N—H91N	0.9500
C10F—C11F	1.390 (9)	C10N—C11N	1.400 (9)
C10F—H10F	0.9500	C10N—H10N	0.9500
O1G—C1G	1.269 (6)	O1O—C1O	1.266 (6)
O2G—C1G	1.243 (6)	O2O—C1O	1.243 (6)
N1G—C2G	1.483 (6)	N1O—C2O	1.478 (6)
N1G—H1G	0.9100	N1O—H1O	0.9100
N1G—H2G	0.9100	N1O—H2O	0.9100
N1G—H3G	0.9100	N1O—H3O	0.9100
N2G—C11G	1.369 (7)	N2O—C11O	1.361 (8)
N2G—C4G	1.394 (7)	N2O—C4O	1.379 (8)
N2G—H4G	0.8800	N2O—H4O	0.8800
C1G—C2G	1.526 (6)	C1O—C2O	1.524 (7)
C2G—C3G	1.538 (7)	C2O—C3O	1.540 (7)
C2G—H21G	1.0000	C2O—H21O	1.0000
C3G—C5G	1.498 (7)	C3O—C5O	1.495 (7)
C3G—H31G	0.9900	C3O—H31O	0.9900
C3G—H32G	0.9900	C3O—H32O	0.9900
C4G—C5G	1.356 (7)	C4O—C5O	1.372 (8)
C4G—H41G	0.9500	C4O—H41O	0.9500
C5G—C6G	1.447 (7)	C5O—C6O	1.429 (7)
C6G—C7G	1.399 (7)	C6O—C7O	1.409 (7)
C6G—C11G	1.425 (7)	C6O—C11O	1.428 (7)
C7G—C8G	1.376 (8)	C7O—C8O	1.385 (8)
C7G—H71G	0.9500	C7O—H71O	0.9500
C8G—C9G	1.403 (9)	C8O—C9O	1.395 (9)
C8G—H81G	0.9500	C8O—H81O	0.9500
C9G—C10G	1.381 (9)	C9O—C10O	1.397 (10)
C9G—H91G	0.9500	C9O—H91O	0.9500
C10G—C11G	1.402 (8)	C10O—C11O	1.393 (8)
C10G—H10G	0.9500	C10O—H10O	0.9500
O1H—C1H	1.263 (6)	O1P—C1P	1.273 (6)
O2H—C1H	1.250 (6)	O2P—C1P	1.248 (6)
N1H—C2H	1.497 (6)	N1P—C2P	1.487 (6)
N1H—H1H	0.9100	N1P—H1P	0.9100
N1H—H2H	0.9100	N1P—H2P	0.9100
N1H—H3H	0.9100	N1P—H3P	0.9100
N2H—C11H	1.364 (8)	N2P—C11P	1.351 (8)
N2H—C4H	1.380 (8)	N2P—C4P	1.370 (8)
N2H—H4H	0.8800	N2P—H4P	0.8800
C1H—C2H	1.533 (7)	C1P—C2P	1.530 (7)
C2H—C3H	1.525 (7)	C2P—C3P	1.530 (7)
C2H—H21H	1.0000	C2P—H21P	1.0000
C3H—C5H	1.499 (7)	C3P—C5P	1.491 (7)
C3H—H31H	0.9900	C3P—H31P	0.9900
C3H—H32H	0.9900	C3P—H32P	0.9900
C4H—C5H	1.362 (7)	C4P—C5P	1.366 (8)
C4H—H41H	0.9500	C4P—H41P	0.9500
C5H—C6H	1.437 (7)	C5P—C6P	1.436 (7)
C6H—C7H	1.409 (8)	C6P—C7P	1.412 (8)
C6H—C11H	1.414 (7)	C6P—C11P	1.423 (7)
C7H—C8H	1.376 (8)	C7P—C8P	1.379 (9)
C7H—H71H	0.9500	C7P—H71P	0.9500
C8H—C9H	1.393 (11)	C8P—C9P	1.400 (11)
C8H—H81H	0.9500	C8P—H81P	0.9500
C9H—C10H	1.405 (11)	C9P—C10P	1.390 (11)
C9H—H91H	0.9500	C9P—H91P	0.9500
C10H—C11H	1.399 (8)	C10P—C11P	1.392 (9)
C10H—H10H	0.9500	C10P—H10P	0.9500
C2A—N1A—H1A	109.5	C2I—N1I—H1I	109.5
C2A—N1A—H2A	109.5	C2I—N1I—H2I	109.5
H1A—N1A—H2A	109.5	H1I—N1I—H2I	109.5
C2A—N1A—H3A	109.5	C2I—N1I—H3I	109.5
H1A—N1A—H3A	109.5	H1I—N1I—H3I	109.5
H2A—N1A—H3A	109.5	H2I—N1I—H3I	109.5
C11A—N2A—C4A	110.1 (5)	C11I—N2I—C4I	108.1 (5)
C11A—N2A—H4A	124.9	C11I—N2I—H4I	125.9
C4A—N2A—H4A	124.9	C4I—N2I—H4I	125.9
O2A—C1A—O1A	127.8 (5)	O2I—C1I—O1I	126.3 (4)
O2A—C1A—C2A	115.3 (4)	O2I—C1I—C2I	115.7 (4)
O1A—C1A—C2A	116.9 (4)	O1I—C1I—C2I	118.1 (4)
N1A—C2A—C3A	110.3 (4)	N1I—C2I—C3I	109.9 (4)
N1A—C2A—C1A	109.8 (4)	N1I—C2I—C1I	109.2 (4)
C3A—C2A—C1A	110.9 (4)	C3I—C2I—C1I	111.3 (4)
N1A—C2A—H21A	108.6	N1I—C2I—H21I	108.8
C3A—C2A—H21A	108.6	C3I—C2I—H21I	108.8
C1A—C2A—H21A	108.6	C1I—C2I—H21I	108.8
C5A—C3A—C2A	113.2 (4)	C5I—C3I—C2I	112.6 (4)
C5A—C3A—H31A	108.9	C5I—C3I—H31I	109.1
C2A—C3A—H31A	108.9	C2I—C3I—H31I	109.1
C5A—C3A—H32A	108.9	C5I—C3I—H32I	109.1
C2A—C3A—H32A	108.9	C2I—C3I—H32I	109.1
H31A—C3A—H32A	107.8	H31I—C3I—H32I	107.8
C5A—C4A—N2A	108.6 (5)	C5I—C4I—N2I	110.0 (5)
C5A—C4A—H41A	125.7	C5I—C4I—H41I	125.0
N2A—C4A—H41A	125.7	N2I—C4I—H41I	125.0
C4A—C5A—C6A	107.4 (5)	C4I—C5I—C6I	107.4 (5)
C4A—C5A—C3A	125.9 (5)	C4I—C5I—C3I	126.1 (5)
C6A—C5A—C3A	126.7 (5)	C6I—C5I—C3I	126.4 (5)
C7A—C6A—C5A	134.5 (5)	C7I—C6I—C11I	119.3 (5)
C7A—C6A—C11A	119.3 (5)	C7I—C6I—C5I	134.2 (5)
C5A—C6A—C11A	106.3 (5)	C11I—C6I—C5I	106.4 (5)
C8A—C7A—C6A	118.9 (6)	C8I—C7I—C6I	119.1 (5)
C8A—C7A—H71A	120.5	C8I—C7I—H71I	120.5
C6A—C7A—H71A	120.5	C6I—C7I—H71I	120.5
C7A—C8A—C9A	121.2 (6)	C7I—C8I—C9I	121.3 (6)
C7A—C8A—H81A	119.4	C7I—C8I—H81I	119.4
C9A—C8A—H81A	119.4	C9I—C8I—H81I	119.4
C10A—C9A—C8A	121.6 (6)	C10I—C9I—C8I	120.9 (6)
C10A—C9A—H91A	119.2	C10I—C9I—H91I	119.6
C8A—C9A—H91A	119.2	C8I—C9I—H91I	119.6
C9A—C10A—C11A	118.2 (6)	C9I—C10I—C11I	117.7 (6)
C9A—C10A—H10A	120.9	C9I—C10I—H10I	121.2
C11A—C10A—H10A	120.9	C11I—C10I—H10I	121.2
N2A—C11A—C10A	131.6 (6)	N2I—C11I—C10I	130.2 (5)
N2A—C11A—C6A	107.6 (5)	N2I—C11I—C6I	108.0 (5)
C10A—C11A—C6A	120.8 (6)	C10I—C11I—C6I	121.7 (6)
C2B—N1B—H1B	109.5	C2J—N1J—H1J	109.5
C2B—N1B—H2B	109.5	C2J—N1J—H2J	109.5
H1B—N1B—H2B	109.5	H1J—N1J—H2J	109.5
C2B—N1B—H3B	109.5	C2J—N1J—H3J	109.5
H1B—N1B—H3B	109.5	H1J—N1J—H3J	109.5
H2B—N1B—H3B	109.5	H2J—N1J—H3J	109.5
C11B—N2B—C4B	109.3 (4)	C4J—N2J—C11J	108.4 (5)
C11B—N2B—H4B	125.3	C4J—N2J—H4J	125.8
C4B—N2B—H4B	125.3	C11J—N2J—H4J	125.8
O2B—C1B—O1B	127.7 (4)	O2J—C1J—O1J	126.9 (4)
O2B—C1B—C2B	115.5 (4)	O2J—C1J—C2J	116.1 (4)
O1B—C1B—C2B	116.8 (4)	O1J—C1J—C2J	117.0 (4)
N1B—C2B—C3B	109.7 (4)	N1J—C2J—C1J	110.0 (4)
N1B—C2B—C1B	109.3 (4)	N1J—C2J—C3J	109.5 (4)
C3B—C2B—C1B	111.2 (4)	C1J—C2J—C3J	110.7 (4)
N1B—C2B—H21B	108.9	N1J—C2J—H21J	108.9
C3B—C2B—H21B	108.9	C1J—C2J—H21J	108.9
C1B—C2B—H21B	108.9	C3J—C2J—H21J	108.9
C5B—C3B—C2B	112.8 (4)	C5J—C3J—C2J	113.5 (4)
C5B—C3B—H31B	109.0	C5J—C3J—H31J	108.9
C2B—C3B—H31B	109.0	C2J—C3J—H31J	108.9
C5B—C3B—H32B	109.0	C5J—C3J—H32J	108.9
C2B—C3B—H32B	109.0	C2J—C3J—H32J	108.9
H31B—C3B—H32B	107.8	H31J—C3J—H32J	107.7
C5B—C4B—N2B	109.3 (5)	C5J—C4J—N2J	110.6 (5)
C5B—C4B—H41B	125.3	C5J—C4J—H41J	124.7
N2B—C4B—H41B	125.3	N2J—C4J—H41J	124.7
C4B—C5B—C6B	107.8 (5)	C4J—C5J—C6J	106.4 (5)
C4B—C5B—C3B	126.0 (5)	C4J—C5J—C3J	126.6 (5)
C6B—C5B—C3B	126.2 (5)	C6J—C5J—C3J	126.9 (5)
C7B—C6B—C11B	119.1 (5)	C7J—C6J—C11J	119.0 (5)
C7B—C6B—C5B	134.9 (5)	C7J—C6J—C5J	134.3 (5)
C11B—C6B—C5B	106.0 (5)	C11J—C6J—C5J	106.7 (5)
C6B—C7B—C8B	119.5 (5)	C6J—C7J—C8J	119.1 (5)
C6B—C7B—H71B	120.2	C6J—C7J—H71J	120.5
C8B—C7B—H71B	120.2	C8J—C7J—H71J	120.5
C7B—C8B—C9B	120.4 (6)	C7J—C8J—C9J	120.7 (6)
C7B—C8B—H81B	119.8	C7J—C8J—H81J	119.6
C9B—C8B—H81B	119.8	C9J—C8J—H81J	119.6
C10B—C9B—C8B	121.3 (6)	C10J—C9J—C8J	121.2 (6)
C10B—C9B—H91B	119.3	C10J—C9J—H91J	119.4
C8B—C9B—H91B	119.3	C8J—C9J—H91J	119.4
C9B—C10B—C11B	117.8 (6)	C9J—C10J—C11J	117.4 (6)
C9B—C10B—H10B	121.1	C9J—C10J—H10J	121.3
C11B—C10B—H10B	121.1	C11J—C10J—H10J	121.3
N2B—C11B—C10B	130.7 (5)	N2J—C11J—C10J	129.5 (6)
N2B—C11B—C6B	107.5 (5)	N2J—C11J—C6J	108.0 (5)
C10B—C11B—C6B	121.9 (6)	C10J—C11J—C6J	122.5 (6)
C2C—N1C—H1C	109.5	C2K—N1K—H1K	109.5
C2C—N1C—H2C	109.5	C2K—N1K—H2K	109.5
H1C—N1C—H2C	109.5	H1K—N1K—H2K	109.5
C2C—N1C—H3C	109.5	C2K—N1K—H3K	109.5
H1C—N1C—H3C	109.5	H1K—N1K—H3K	109.5
H2C—N1C—H3C	109.5	H2K—N1K—H3K	109.5
C4C—N2C—C11C	110.2 (5)	C4K—N2K—C11K	109.4 (4)
C4C—N2C—H4C	124.9	C4K—N2K—H4K	125.3
C11C—N2C—H4C	124.9	C11K—N2K—H4K	125.3
O2C—C1C—O1C	125.3 (4)	O2K—C1K—O1K	125.1 (4)
O2C—C1C—C2C	116.0 (4)	O2K—C1K—C2K	116.0 (4)
O1C—C1C—C2C	118.7 (4)	O1K—C1K—C2K	118.9 (4)
N1C—C2C—C1C	110.4 (4)	N1K—C2K—C1K	110.6 (4)
N1C—C2C—C3C	111.0 (4)	N1K—C2K—C3K	110.5 (4)
C1C—C2C—C3C	110.4 (4)	C1K—C2K—C3K	110.6 (4)
N1C—C2C—H21C	108.3	N1K—C2K—H21K	108.4
C1C—C2C—H21C	108.3	C1K—C2K—H21K	108.4
C3C—C2C—H21C	108.3	C3K—C2K—H21K	108.4
C5C—C3C—C2C	114.4 (4)	C5K—C3K—C2K	113.5 (4)
C5C—C3C—H31C	108.7	C5K—C3K—H31K	108.9
C2C—C3C—H31C	108.7	C2K—C3K—H31K	108.9
C5C—C3C—H32C	108.7	C5K—C3K—H32K	108.9
C2C—C3C—H32C	108.7	C2K—C3K—H32K	108.9
H31C—C3C—H32C	107.6	H31K—C3K—H32K	107.7
N2C—C4C—C5C	109.5 (5)	N2K—C4K—C5K	110.0 (5)
N2C—C4C—H41C	125.2	N2K—C4K—H41K	125.0
C5C—C4C—H41C	125.2	C5K—C4K—H41K	125.0
C4C—C5C—C6C	106.9 (5)	C4K—C5K—C6K	106.4 (5)
C4C—C5C—C3C	128.0 (5)	C4K—C5K—C3K	128.1 (5)
C6C—C5C—C3C	125.0 (5)	C6K—C5K—C3K	125.4 (5)
C7C—C6C—C11C	119.0 (5)	C7K—C6K—C11K	119.0 (5)
C7C—C6C—C5C	134.4 (5)	C7K—C6K—C5K	133.6 (5)
C11C—C6C—C5C	106.6 (4)	C11K—C6K—C5K	107.4 (5)
C8C—C7C—C6C	119.2 (5)	C6K—C7K—C8K	119.4 (5)
C8C—C7C—H71C	120.4	C6K—C7K—H71K	120.3
C6C—C7C—H71C	120.4	C8K—C7K—H71K	120.3
C7C—C8C—C9C	121.3 (6)	C7K—C8K—C9K	120.1 (5)
C7C—C8C—H81C	119.3	C7K—C8K—H81K	119.9
C9C—C8C—H81C	119.3	C9K—C8K—H81K	119.9
C10C—C9C—C8C	121.0 (6)	C10K—C9K—C8K	121.3 (5)
C10C—C9C—H91C	119.5	C10K—C9K—H91K	119.3
C8C—C9C—H91C	119.5	C8K—C9K—H91K	119.3
C9C—C10C—C11C	118.8 (6)	C9K—C10K—C11K	118.3 (6)
C9C—C10C—H10C	120.6	C9K—C10K—H10K	120.9
C11C—C10C—H10C	120.6	C11K—C10K—H10K	120.9
N2C—C11C—C10C	132.5 (5)	N2K—C11K—C10K	131.4 (5)
N2C—C11C—C6C	106.8 (5)	N2K—C11K—C6K	106.8 (5)
C10C—C11C—C6C	120.7 (5)	C10K—C11K—C6K	121.8 (5)
C2D—N1D—H1D	109.5	C2L—N1L—H1L	109.5
C2D—N1D—H2D	109.5	C2L—N1L—H2L	109.5
H1D—N1D—H2D	109.5	H1L—N1L—H2L	109.5
C2D—N1D—H3D	109.5	C2L—N1L—H3L	109.5
H1D—N1D—H3D	109.5	H1L—N1L—H3L	109.5
H2D—N1D—H3D	109.5	H2L—N1L—H3L	109.5
C4D—N2D—C11D	108.0 (5)	C4L—N2L—C11L	108.7 (5)
C4D—N2D—H4D	126.0	C4L—N2L—H4L	125.6
C11D—N2D—H4D	126.0	C11L—N2L—H4L	125.6
O2D—C1D—O1D	125.2 (4)	O2L—C1L—O1L	125.2 (4)
O2D—C1D—C2D	115.8 (4)	O2L—C1L—C2L	115.9 (4)
O1D—C1D—C2D	119.0 (4)	O1L—C1L—C2L	118.9 (4)
N1D—C2D—C1D	110.4 (4)	N1L—C2L—C1L	110.4 (4)
N1D—C2D—C3D	110.7 (4)	N1L—C2L—C3L	110.7 (4)
C1D—C2D—C3D	110.7 (4)	C1L—C2L—C3L	110.1 (4)
N1D—C2D—H21D	108.3	N1L—C2L—H21L	108.5
C1D—C2D—H21D	108.3	C1L—C2L—H21L	108.5
C3D—C2D—H21D	108.3	C3L—C2L—H21L	108.5
C5D—C3D—C2D	113.9 (4)	C5L—C3L—C2L	113.4 (4)
C5D—C3D—H31D	108.8	C5L—C3L—H31L	108.9
C2D—C3D—H31D	108.8	C2L—C3L—H31L	108.9
C5D—C3D—H32D	108.8	C5L—C3L—H32L	108.9
C2D—C3D—H32D	108.8	C2L—C3L—H32L	108.9
H31D—C3D—H32D	107.7	H31L—C3L—H32L	107.7
C5D—C4D—N2D	110.8 (5)	C5L—C4L—N2L	110.9 (5)
C5D—C4D—H41D	124.6	C5L—C4L—H41L	124.6
N2D—C4D—H41D	124.6	N2L—C4L—H41L	124.6
C4D—C5D—C6D	106.5 (5)	C4L—C5L—C6L	106.4 (5)
C4D—C5D—C3D	128.5 (5)	C4L—C5L—C3L	128.3 (5)
C6D—C5D—C3D	124.9 (5)	C6L—C5L—C3L	125.1 (5)
C7D—C6D—C11D	118.6 (5)	C7L—C6L—C11L	119.9 (5)
C7D—C6D—C5D	134.1 (5)	C7L—C6L—C5L	133.4 (5)
C11D—C6D—C5D	107.3 (5)	C11L—C6L—C5L	106.7 (5)
C8D—C7D—C6D	118.8 (5)	C6L—C7L—C8L	119.2 (6)
C8D—C7D—H71D	120.6	C6L—C7L—H71L	120.4
C6D—C7D—H71D	120.6	C8L—C7L—H71L	120.4
C7D—C8D—C9D	122.3 (6)	C7L—C8L—C9L	120.9 (6)
C7D—C8D—H81D	118.9	C7L—C8L—H81L	119.6
C9D—C8D—H81D	118.9	C9L—C8L—H81L	119.6
C10D—C9D—C8D	119.6 (6)	C10L—C9L—C8L	120.7 (6)
C10D—C9D—H91D	120.2	C10L—C9L—H91L	119.7
C8D—C9D—H91D	120.2	C8L—C9L—H91L	119.7
C9D—C10D—C11D	119.2 (6)	C9L—C10L—C11L	119.7 (7)
C9D—C10D—H10D	120.4	C9L—C10L—H10L	120.2
C11D—C10D—H10D	120.4	C11L—C10L—H10L	120.2
N2D—C11D—C10D	131.2 (6)	N2L—C11L—C10L	133.0 (6)
N2D—C11D—C6D	107.2 (5)	N2L—C11L—C6L	107.3 (5)
C10D—C11D—C6D	121.5 (6)	C10L—C11L—C6L	119.7 (6)
C2E—N1E—H1E	109.5	C2M—N1M—H1M	109.5
C2E—N1E—H2E	109.5	C2M—N1M—H2M	109.5
H1E—N1E—H2E	109.5	H1M—N1M—H2M	109.5
C2E—N1E—H3E	109.5	C2M—N1M—H3M	109.5
H1E—N1E—H3E	109.5	H1M—N1M—H3M	109.5
H2E—N1E—H3E	109.5	H2M—N1M—H3M	109.5
C11E—N2E—C4E	109.3 (5)	C4M—N2M—C11M	109.8 (5)
C11E—N2E—H4E	125.4	C4M—N2M—H4M	125.1
C4E—N2E—H4E	125.4	C11M—N2M—H4M	125.1
O2E—C1E—O1E	126.0 (4)	O2M—C1M—O1M	126.4 (5)
O2E—C1E—C2E	115.7 (4)	O2M—C1M—C2M	116.1 (4)
O1E—C1E—C2E	118.3 (4)	O1M—C1M—C2M	117.5 (4)
N1E—C2E—C1E	109.6 (4)	N1M—C2M—C1M	110.1 (4)
N1E—C2E—C3E	109.1 (4)	N1M—C2M—C3M	109.5 (4)
C1E—C2E—C3E	111.5 (4)	C1M—C2M—C3M	111.4 (4)
N1E—C2E—H21E	108.9	N1M—C2M—H21M	108.6
C1E—C2E—H21E	108.9	C1M—C2M—H21M	108.6
C3E—C2E—H21E	108.9	C3M—C2M—H21M	108.6
C5E—C3E—C2E	113.2 (4)	C5M—C3M—C2M	112.7 (4)
C5E—C3E—H31E	108.9	C5M—C3M—H31M	109.1
C2E—C3E—H31E	108.9	C2M—C3M—H31M	109.1
C5E—C3E—H32E	108.9	C5M—C3M—H32M	109.1
C2E—C3E—H32E	108.9	C2M—C3M—H32M	109.1
H31E—C3E—H32E	107.8	H31M—C3M—H32M	107.8
C5E—C4E—N2E	109.4 (5)	C5M—C4M—N2M	109.2 (5)
C5E—C4E—H41E	125.3	C5M—C4M—H41M	125.4
N2E—C4E—H41E	125.3	N2M—C4M—H41M	125.4
C4E—C5E—C6E	107.0 (5)	C4M—C5M—C6M	107.0 (5)
C4E—C5E—C3E	125.7 (5)	C4M—C5M—C3M	126.1 (5)
C6E—C5E—C3E	127.3 (5)	C6M—C5M—C3M	126.9 (5)
C7E—C6E—C11E	119.7 (5)	C7M—C6M—C11M	118.3 (5)
C7E—C6E—C5E	134.1 (5)	C7M—C6M—C5M	134.8 (5)
C11E—C6E—C5E	106.3 (5)	C11M—C6M—C5M	106.9 (5)
C8E—C7E—C6E	118.6 (5)	C8M—C7M—C6M	119.5 (5)
C8E—C7E—H71E	120.7	C8M—C7M—H71M	120.3
C6E—C7E—H71E	120.7	C6M—C7M—H71M	120.3
C7E—C8E—C9E	121.7 (6)	C9M—C8M—C7M	121.4 (6)
C7E—C8E—H81E	119.2	C9M—C8M—H81M	119.3
C9E—C8E—H81E	119.2	C7M—C8M—H81M	119.3
C8E—C9E—C10E	121.1 (6)	C8M—C9M—C10M	121.0 (6)
C8E—C9E—H91E	119.4	C8M—C9M—H91M	119.5
C10E—C9E—H91E	119.4	C10M—C9M—H91M	119.5
C9E—C10E—C11E	117.8 (6)	C9M—C10M—C11M	117.8 (6)
C9E—C10E—H10E	121.1	C9M—C10M—H10M	121.1
C11E—C10E—H10E	121.1	C11M—C10M—H10M	121.1
N2E—C11E—C10E	130.8 (6)	N2M—C11M—C10M	130.9 (6)
N2E—C11E—C6E	108.1 (5)	N2M—C11M—C6M	107.0 (5)
C10E—C11E—C6E	121.1 (6)	C10M—C11M—C6M	122.1 (6)
C2F—N1F—H1F	109.5	C2N—N1N—H1N	109.5
C2F—N1F—H2F	109.5	C2N—N1N—H2N	109.5
H1F—N1F—H2F	109.5	H1N—N1N—H2N	109.5
C2F—N1F—H3F	109.5	C2N—N1N—H3N	109.5
H1F—N1F—H3F	109.5	H1N—N1N—H3N	109.5
H2F—N1F—H3F	109.5	H2N—N1N—H3N	109.5
C4F—N2F—C11F	109.7 (5)	C11N—N2N—C4N	109.1 (5)
C4F—N2F—H4F	125.1	C11N—N2N—H4N	125.5
C11F—N2F—H4F	125.1	C4N—N2N—H4N	125.5
O2F—C1F—O1F	125.4 (4)	O2N—C1N—O1N	126.2 (5)
O2F—C1F—C2F	116.3 (4)	O2N—C1N—C2N	115.7 (4)
O1F—C1F—C2F	118.3 (4)	O1N—C1N—C2N	118.0 (4)
N1F—C2F—C1F	109.5 (4)	N1N—C2N—C3N	110.0 (4)
N1F—C2F—C3F	109.7 (4)	N1N—C2N—C1N	109.1 (4)
C1F—C2F—C3F	110.4 (4)	C3N—C2N—C1N	110.7 (4)
N1F—C2F—H21F	109.1	N1N—C2N—H21N	109.0
C1F—C2F—H21F	109.1	C3N—C2N—H21N	109.0
C3F—C2F—H21F	109.1	C1N—C2N—H21N	109.0
C5F—C3F—C2F	113.1 (4)	C5N—C3N—C2N	113.8 (4)
C5F—C3F—H31F	109.0	C5N—C3N—H31N	108.8
C2F—C3F—H31F	109.0	C2N—C3N—H31N	108.8
C5F—C3F—H32F	109.0	C5N—C3N—H32N	108.8
C2F—C3F—H32F	109.0	C2N—C3N—H32N	108.8
H31F—C3F—H32F	107.8	H31N—C3N—H32N	107.7
C5F—C4F—N2F	110.2 (5)	C5N—C4N—N2N	110.0 (5)
C5F—C4F—H41F	124.9	C5N—C4N—H41N	125.0
N2F—C4F—H41F	124.9	N2N—C4N—H41N	125.0
C4F—C5F—C6F	106.8 (5)	C4N—C5N—C6N	107.4 (5)
C4F—C5F—C3F	127.5 (5)	C4N—C5N—C3N	126.3 (5)
C6F—C5F—C3F	125.7 (5)	C6N—C5N—C3N	126.3 (5)
C7F—C6F—C11F	118.5 (5)	C7N—C6N—C11N	119.3 (5)
C7F—C6F—C5F	135.0 (5)	C7N—C6N—C5N	134.5 (5)
C11F—C6F—C5F	106.5 (5)	C11N—C6N—C5N	106.2 (5)
C6F—C7F—C8F	119.8 (5)	C6N—C7N—C8N	119.6 (6)
C6F—C7F—H71F	120.1	C6N—C7N—H71N	120.2
C8F—C7F—H71F	120.1	C8N—C7N—H71N	120.2
C9F—C8F—C7F	120.0 (6)	C7N—C8N—C9N	120.4 (6)
C9F—C8F—H81F	120.0	C7N—C8N—H81N	119.8
C7F—C8F—H81F	120.0	C9N—C8N—H81N	119.8
C10F—C9F—C8F	122.0 (6)	C10N—C9N—C8N	121.0 (6)
C10F—C9F—H91F	119.0	C10N—C9N—H91N	119.5
C8F—C9F—H91F	119.0	C8N—C9N—H91N	119.5
C9F—C10F—C11F	117.8 (6)	C9N—C10N—C11N	118.1 (6)
C9F—C10F—H10F	121.1	C9N—C10N—H10N	121.0
C11F—C10F—H10F	121.1	C11N—C10N—H10N	121.0
N2F—C11F—C10F	131.3 (5)	N2N—C11N—C10N	131.0 (6)
N2F—C11F—C6F	106.8 (5)	N2N—C11N—C6N	107.3 (5)
C10F—C11F—C6F	121.9 (6)	C10N—C11N—C6N	121.6 (6)
C2G—N1G—H1G	109.5	C2O—N1O—H1O	109.5
C2G—N1G—H2G	109.5	C2O—N1O—H2O	109.5
H1G—N1G—H2G	109.5	H1O—N1O—H2O	109.5
C2G—N1G—H3G	109.5	C2O—N1O—H3O	109.5
H1G—N1G—H3G	109.5	H1O—N1O—H3O	109.5
H2G—N1G—H3G	109.5	H2O—N1O—H3O	109.5
C11G—N2G—C4G	108.6 (4)	C11O—N2O—C4O	110.0 (5)
C11G—N2G—H4G	125.7	C11O—N2O—H4O	125.0
C4G—N2G—H4G	125.7	C4O—N2O—H4O	125.0
O2G—C1G—O1G	126.3 (5)	O2O—C1O—O1O	125.6 (5)
O2G—C1G—C2G	115.4 (4)	O2O—C1O—C2O	115.9 (4)
O1G—C1G—C2G	118.3 (4)	O1O—C1O—C2O	118.5 (4)
N1G—C2G—C1G	110.7 (4)	N1O—C2O—C1O	111.1 (4)
N1G—C2G—C3G	110.8 (4)	N1O—C2O—C3O	110.6 (4)
C1G—C2G—C3G	110.4 (4)	C1O—C2O—C3O	110.8 (4)
N1G—C2G—H21G	108.3	N1O—C2O—H21O	108.1
C1G—C2G—H21G	108.3	C1O—C2O—H21O	108.1
C3G—C2G—H21G	108.3	C3O—C2O—H21O	108.1
C5G—C3G—C2G	114.0 (4)	C5O—C3O—C2O	114.7 (4)
C5G—C3G—H31G	108.8	C5O—C3O—H31O	108.6
C2G—C3G—H31G	108.8	C2O—C3O—H31O	108.6
C5G—C3G—H32G	108.8	C5O—C3O—H32O	108.6
C2G—C3G—H32G	108.8	C2O—C3O—H32O	108.6
H31G—C3G—H32G	107.7	H31O—C3O—H32O	107.6
C5G—C4G—N2G	110.2 (5)	C5O—C4O—N2O	109.9 (5)
C5G—C4G—H41G	124.9	C5O—C4O—H41O	125.1
N2G—C4G—H41G	124.9	N2O—C4O—H41O	125.1
C4G—C5G—C6G	106.9 (5)	C4O—C5O—C6O	105.9 (5)
C4G—C5G—C3G	128.6 (5)	C4O—C5O—C3O	128.0 (5)
C6G—C5G—C3G	124.4 (5)	C6O—C5O—C3O	126.1 (5)
C7G—C6G—C11G	119.5 (5)	C7O—C6O—C11O	118.2 (5)
C7G—C6G—C5G	134.1 (5)	C7O—C6O—C5O	133.8 (5)
C11G—C6G—C5G	106.4 (5)	C11O—C6O—C5O	107.9 (5)
C8G—C7G—C6G	118.6 (5)	C8O—C7O—C6O	119.3 (5)
C8G—C7G—H71G	120.7	C8O—C7O—H71O	120.4
C6G—C7G—H71G	120.7	C6O—C7O—H71O	120.4
C7G—C8G—C9G	121.5 (6)	C7O—C8O—C9O	121.7 (6)
C7G—C8G—H81G	119.2	C7O—C8O—H81O	119.2
C9G—C8G—H81G	119.2	C9O—C8O—H81O	119.2
C10G—C9G—C8G	121.6 (6)	C8O—C9O—C10O	120.7 (5)
C10G—C9G—H91G	119.2	C8O—C9O—H91O	119.6
C8G—C9G—H91G	119.2	C10O—C9O—H91O	119.6
C9G—C10G—C11G	117.3 (5)	C11O—C10O—C9O	117.9 (6)
C9G—C10G—H10G	121.4	C11O—C10O—H10O	121.0
C11G—C10G—H10G	121.4	C9O—C10O—H10O	121.0
N2G—C11G—C10G	130.6 (5)	N2O—C11O—C10O	131.5 (5)
N2G—C11G—C6G	107.9 (5)	N2O—C11O—C6O	106.4 (5)
C10G—C11G—C6G	121.5 (5)	C10O—C11O—C6O	122.1 (5)
C2H—N1H—H1H	109.5	C2P—N1P—H1P	109.5
C2H—N1H—H2H	109.5	C2P—N1P—H2P	109.5
H1H—N1H—H2H	109.5	H1P—N1P—H2P	109.5
C2H—N1H—H3H	109.5	C2P—N1P—H3P	109.5
H1H—N1H—H3H	109.5	H1P—N1P—H3P	109.5
H2H—N1H—H3H	109.5	H2P—N1P—H3P	109.5
C11H—N2H—C4H	109.2 (5)	C11P—N2P—C4P	110.1 (5)
C11H—N2H—H4H	125.4	C11P—N2P—H4P	125.0
C4H—N2H—H4H	125.4	C4P—N2P—H4P	125.0
O2H—C1H—O1H	125.9 (5)	O2P—C1P—O1P	124.9 (5)
O2H—C1H—C2H	114.7 (4)	O2P—C1P—C2P	116.1 (4)
O1H—C1H—C2H	119.3 (4)	O1P—C1P—C2P	119.0 (4)
N1H—C2H—C3H	110.4 (4)	N1P—C2P—C3P	111.2 (4)
N1H—C2H—C1H	109.7 (4)	N1P—C2P—C1P	110.0 (4)
C3H—C2H—C1H	111.0 (4)	C3P—C2P—C1P	111.1 (4)
N1H—C2H—H21H	108.5	N1P—C2P—H21P	108.2
C3H—C2H—H21H	108.5	C3P—C2P—H21P	108.2
C1H—C2H—H21H	108.5	C1P—C2P—H21P	108.2
C5H—C3H—C2H	114.9 (4)	C5P—C3P—C2P	114.2 (4)
C5H—C3H—H31H	108.5	C5P—C3P—H31P	108.7
C2H—C3H—H31H	108.5	C2P—C3P—H31P	108.7
C5H—C3H—H32H	108.5	C5P—C3P—H32P	108.7
C2H—C3H—H32H	108.5	C2P—C3P—H32P	108.7
H31H—C3H—H32H	107.5	H31P—C3P—H32P	107.6
C5H—C4H—N2H	109.8 (5)	C5P—C4P—N2P	110.1 (5)
C5H—C4H—H41H	125.1	C5P—C4P—H41P	125.0
N2H—C4H—H41H	125.1	N2P—C4P—H41P	125.0
C4H—C5H—C6H	106.6 (5)	C4P—C5P—C6P	105.7 (5)
C4H—C5H—C3H	128.4 (5)	C4P—C5P—C3P	129.2 (5)
C6H—C5H—C3H	124.8 (5)	C6P—C5P—C3P	125.0 (5)
C7H—C6H—C11H	119.7 (5)	C7P—C6P—C11P	119.2 (5)
C7H—C6H—C5H	133.4 (5)	C7P—C6P—C5P	133.6 (5)
C11H—C6H—C5H	106.8 (5)	C11P—C6P—C5P	107.3 (5)
C8H—C7H—C6H	118.6 (6)	C8P—C7P—C6P	119.4 (6)
C8H—C7H—H71H	120.7	C8P—C7P—H71P	120.3
C6H—C7H—H71H	120.7	C6P—C7P—H71P	120.3
C7H—C8H—C9H	121.5 (6)	C7P—C8P—C9P	120.4 (6)
C7H—C8H—H81H	119.2	C7P—C8P—H81P	119.8
C9H—C8H—H81H	119.2	C9P—C8P—H81P	119.8
C8H—C9H—C10H	121.5 (6)	C10P—C9P—C8P	121.9 (6)
C8H—C9H—H91H	119.2	C10P—C9P—H91P	119.0
C10H—C9H—H91H	119.2	C8P—C9P—H91P	119.0
C11H—C10H—C9H	117.0 (6)	C9P—C10P—C11P	117.9 (6)
C11H—C10H—H10H	121.5	C9P—C10P—H10P	121.1
C9H—C10H—H10H	121.5	C11P—C10P—H10P	121.1
N2H—C11H—C10H	130.8 (6)	N2P—C11P—C10P	131.9 (6)
N2H—C11H—C6H	107.5 (5)	N2P—C11P—C6P	106.8 (5)
C10H—C11H—C6H	121.6 (6)	C10P—C11P—C6P	121.3 (6)
O2A—C1A—C2A—N1A	160.8 (4)	O2I—C1I—C2I—N1I	160.5 (4)
O1A—C1A—C2A—N1A	−18.9 (6)	O1I—C1I—C2I—N1I	−19.1 (6)
O2A—C1A—C2A—C3A	−77.1 (5)	O2I—C1I—C2I—C3I	−78.0 (5)
O1A—C1A—C2A—C3A	103.2 (5)	O1I—C1I—C2I—C3I	102.4 (5)
N1A—C2A—C3A—C5A	−172.9 (4)	N1I—C2I—C3I—C5I	−173.1 (4)
C1A—C2A—C3A—C5A	65.3 (5)	C1I—C2I—C3I—C5I	65.8 (5)
C11A—N2A—C4A—C5A	2.1 (7)	C11I—N2I—C4I—C5I	1.4 (6)
N2A—C4A—C5A—C6A	−1.7 (6)	N2I—C4I—C5I—C6I	−1.4 (6)
N2A—C4A—C5A—C3A	178.2 (5)	N2I—C4I—C5I—C3I	176.7 (5)
C2A—C3A—C5A—C4A	−114.9 (6)	C2I—C3I—C5I—C4I	−113.3 (6)
C2A—C3A—C5A—C6A	65.1 (7)	C2I—C3I—C5I—C6I	64.4 (6)
C4A—C5A—C6A—C7A	−178.7 (6)	C4I—C5I—C6I—C7I	−178.8 (6)
C3A—C5A—C6A—C7A	1.4 (9)	C3I—C5I—C6I—C7I	3.2 (9)
C4A—C5A—C6A—C11A	0.8 (6)	C4I—C5I—C6I—C11I	0.8 (6)
C3A—C5A—C6A—C11A	−179.2 (5)	C3I—C5I—C6I—C11I	−177.3 (5)
C5A—C6A—C7A—C8A	−179.7 (6)	C11I—C6I—C7I—C8I	0.4 (8)
C11A—C6A—C7A—C8A	0.9 (8)	C5I—C6I—C7I—C8I	179.9 (6)
C6A—C7A—C8A—C9A	−0.7 (9)	C6I—C7I—C8I—C9I	0.9 (9)
C7A—C8A—C9A—C10A	1.5 (10)	C7I—C8I—C9I—C10I	−0.3 (9)
C8A—C9A—C10A—C11A	−2.3 (10)	C8I—C9I—C10I—C11I	−1.5 (9)
C4A—N2A—C11A—C10A	−179.4 (6)	C4I—N2I—C11I—C10I	−178.6 (6)
C4A—N2A—C11A—C6A	−1.5 (6)	C4I—N2I—C11I—C6I	−0.9 (6)
C9A—C10A—C11A—N2A	−179.8 (6)	C9I—C10I—C11I—N2I	−179.6 (6)
C9A—C10A—C11A—C6A	2.5 (9)	C9I—C10I—C11I—C6I	2.8 (8)
C7A—C6A—C11A—N2A	−180.0 (5)	C7I—C6I—C11I—N2I	179.7 (5)
C5A—C6A—C11A—N2A	0.4 (6)	C5I—C6I—C11I—N2I	0.0 (6)
C7A—C6A—C11A—C10A	−1.8 (8)	C7I—C6I—C11I—C10I	−2.3 (8)
C5A—C6A—C11A—C10A	178.6 (5)	C5I—C6I—C11I—C10I	178.0 (5)
O2B—C1B—C2B—N1B	162.6 (4)	O2J—C1J—C2J—N1J	162.3 (4)
O1B—C1B—C2B—N1B	−20.0 (6)	O1J—C1J—C2J—N1J	−18.7 (6)
O2B—C1B—C2B—C3B	−76.1 (6)	O2J—C1J—C2J—C3J	−76.6 (5)
O1B—C1B—C2B—C3B	101.3 (5)	O1J—C1J—C2J—C3J	102.5 (5)
N1B—C2B—C3B—C5B	−174.1 (4)	N1J—C2J—C3J—C5J	−173.6 (4)
C1B—C2B—C3B—C5B	64.9 (5)	C1J—C2J—C3J—C5J	65.0 (5)
C11B—N2B—C4B—C5B	1.0 (6)	C11J—N2J—C4J—C5J	0.8 (7)
N2B—C4B—C5B—C6B	−1.9 (6)	N2J—C4J—C5J—C6J	−0.9 (6)
N2B—C4B—C5B—C3B	176.8 (5)	N2J—C4J—C5J—C3J	177.7 (5)
C2B—C3B—C5B—C4B	−112.2 (6)	C2J—C3J—C5J—C4J	−113.2 (6)
C2B—C3B—C5B—C6B	66.1 (7)	C2J—C3J—C5J—C6J	65.1 (7)
C4B—C5B—C6B—C7B	−179.5 (6)	C4J—C5J—C6J—C7J	−179.9 (6)
C3B—C5B—C6B—C7B	1.9 (10)	C3J—C5J—C6J—C7J	1.6 (10)
C4B—C5B—C6B—C11B	2.0 (6)	C4J—C5J—C6J—C11J	0.7 (6)
C3B—C5B—C6B—C11B	−176.6 (5)	C3J—C5J—C6J—C11J	−177.8 (5)
C11B—C6B—C7B—C8B	−1.1 (8)	C11J—C6J—C7J—C8J	−1.0 (8)
C5B—C6B—C7B—C8B	−179.5 (6)	C5J—C6J—C7J—C8J	179.6 (6)
C6B—C7B—C8B—C9B	1.6 (9)	C6J—C7J—C8J—C9J	−0.3 (9)
C7B—C8B—C9B—C10B	−0.9 (9)	C7J—C8J—C9J—C10J	2.0 (10)
C8B—C9B—C10B—C11B	−0.3 (9)	C8J—C9J—C10J—C11J	−2.2 (10)
C4B—N2B—C11B—C10B	−179.8 (6)	C4J—N2J—C11J—C10J	179.1 (6)
C4B—N2B—C11B—C6B	0.3 (6)	C4J—N2J—C11J—C6J	−0.3 (6)
C9B—C10B—C11B—N2B	−179.1 (6)	C9J—C10J—C11J—N2J	−178.5 (6)
C9B—C10B—C11B—C6B	0.8 (8)	C9J—C10J—C11J—C6J	0.9 (9)
C7B—C6B—C11B—N2B	179.8 (5)	C7J—C6J—C11J—N2J	−179.8 (5)
C5B—C6B—C11B—N2B	−1.4 (6)	C5J—C6J—C11J—N2J	−0.3 (6)
C7B—C6B—C11B—C10B	−0.1 (8)	C7J—C6J—C11J—C10J	0.8 (8)
C5B—C6B—C11B—C10B	178.7 (5)	C5J—C6J—C11J—C10J	−179.7 (5)
O2C—C1C—C2C—N1C	162.1 (5)	O2K—C1K—C2K—N1K	160.9 (4)
O1C—C1C—C2C—N1C	−19.2 (6)	O1K—C1K—C2K—N1K	−21.3 (6)
O2C—C1C—C2C—C3C	−74.8 (6)	O2K—C1K—C2K—C3K	−76.4 (6)
O1C—C1C—C2C—C3C	103.9 (5)	O1K—C1K—C2K—C3K	101.5 (5)
N1C—C2C—C3C—C5C	−79.1 (5)	N1K—C2K—C3K—C5K	−78.2 (5)
C1C—C2C—C3C—C5C	158.1 (4)	C1K—C2K—C3K—C5K	159.0 (4)
C11C—N2C—C4C—C5C	−0.8 (7)	C11K—N2K—C4K—C5K	−1.2 (6)
N2C—C4C—C5C—C6C	0.7 (6)	N2K—C4K—C5K—C6K	1.4 (6)
N2C—C4C—C5C—C3C	178.0 (5)	N2K—C4K—C5K—C3K	178.6 (5)
C2C—C3C—C5C—C4C	111.2 (6)	C2K—C3K—C5K—C4K	109.8 (6)
C2C—C3C—C5C—C6C	−72.0 (7)	C2K—C3K—C5K—C6K	−73.5 (6)
C4C—C5C—C6C—C7C	178.6 (6)	C4K—C5K—C6K—C7K	178.9 (6)
C3C—C5C—C6C—C7C	1.2 (10)	C3K—C5K—C6K—C7K	1.6 (9)
C4C—C5C—C6C—C11C	−0.4 (6)	C4K—C5K—C6K—C11K	−1.1 (6)
C3C—C5C—C6C—C11C	−177.8 (5)	C3K—C5K—C6K—C11K	−178.3 (5)
C11C—C6C—C7C—C8C	1.0 (8)	C11K—C6K—C7K—C8K	1.1 (8)
C5C—C6C—C7C—C8C	−177.9 (6)	C5K—C6K—C7K—C8K	−178.8 (5)
C6C—C7C—C8C—C9C	−1.2 (9)	C6K—C7K—C8K—C9K	−0.9 (9)
C7C—C8C—C9C—C10C	1.2 (10)	C7K—C8K—C9K—C10K	−0.3 (9)
C8C—C9C—C10C—C11C	−0.9 (10)	C8K—C9K—C10K—C11K	1.3 (9)
C4C—N2C—C11C—C10C	−177.7 (6)	C4K—N2K—C11K—C10K	−179.0 (6)
C4C—N2C—C11C—C6C	0.6 (6)	C4K—N2K—C11K—C6K	0.5 (6)
C9C—C10C—C11C—N2C	178.7 (6)	C9K—C10K—C11K—N2K	178.3 (6)
C9C—C10C—C11C—C6C	0.7 (9)	C9K—C10K—C11K—C6K	−1.2 (8)
C7C—C6C—C11C—N2C	−179.3 (5)	C7K—C6K—C11K—N2K	−179.6 (5)
C5C—C6C—C11C—N2C	−0.1 (6)	C5K—C6K—C11K—N2K	0.3 (6)
C7C—C6C—C11C—C10C	−0.8 (8)	C7K—C6K—C11K—C10K	−0.1 (8)
C5C—C6C—C11C—C10C	178.4 (5)	C5K—C6K—C11K—C10K	179.9 (5)
O2D—C1D—C2D—N1D	161.0 (5)	O2L—C1L—C2L—N1L	161.4 (5)
O1D—C1D—C2D—N1D	−19.8 (6)	O1L—C1L—C2L—N1L	−18.5 (6)
O2D—C1D—C2D—C3D	−76.1 (6)	O2L—C1L—C2L—C3L	−76.1 (6)
O1D—C1D—C2D—C3D	103.1 (5)	O1L—C1L—C2L—C3L	104.0 (5)
N1D—C2D—C3D—C5D	−79.0 (5)	N1L—C2L—C3L—C5L	−79.8 (5)
C1D—C2D—C3D—C5D	158.3 (4)	C1L—C2L—C3L—C5L	157.9 (4)
C11D—N2D—C4D—C5D	0.1 (7)	C11L—N2L—C4L—C5L	0.1 (7)
N2D—C4D—C5D—C6D	0.9 (6)	N2L—C4L—C5L—C6L	0.7 (6)
N2D—C4D—C5D—C3D	178.5 (5)	N2L—C4L—C5L—C3L	176.6 (5)
C2D—C3D—C5D—C4D	112.1 (6)	C2L—C3L—C5L—C4L	113.5 (6)
C2D—C3D—C5D—C6D	−70.6 (7)	C2L—C3L—C5L—C6L	−71.3 (7)
C4D—C5D—C6D—C7D	178.2 (6)	C4L—C5L—C6L—C7L	179.0 (6)
C3D—C5D—C6D—C7D	0.4 (9)	C3L—C5L—C6L—C7L	2.9 (9)
C4D—C5D—C6D—C11D	−1.5 (6)	C4L—C5L—C6L—C11L	−1.2 (6)
C3D—C5D—C6D—C11D	−179.2 (5)	C3L—C5L—C6L—C11L	−177.3 (5)
C11D—C6D—C7D—C8D	1.7 (8)	C11L—C6L—C7L—C8L	1.6 (8)
C5D—C6D—C7D—C8D	−177.9 (6)	C5L—C6L—C7L—C8L	−178.6 (6)
C6D—C7D—C8D—C9D	−2.2 (9)	C6L—C7L—C8L—C9L	−1.4 (9)
C7D—C8D—C9D—C10D	1.1 (10)	C7L—C8L—C9L—C10L	0.4 (10)
C8D—C9D—C10D—C11D	0.4 (9)	C8L—C9L—C10L—C11L	0.5 (9)
C4D—N2D—C11D—C10D	−178.7 (6)	C4L—N2L—C11L—C10L	−178.7 (6)
C4D—N2D—C11D—C6D	−1.0 (6)	C4L—N2L—C11L—C6L	−0.8 (6)
C9D—C10D—C11D—N2D	176.5 (6)	C9L—C10L—C11L—N2L	177.3 (6)
C9D—C10D—C11D—C6D	−0.9 (9)	C9L—C10L—C11L—C6L	−0.4 (9)
C7D—C6D—C11D—N2D	−178.2 (5)	C7L—C6L—C11L—N2L	−178.9 (5)
C5D—C6D—C11D—N2D	1.5 (6)	C5L—C6L—C11L—N2L	1.2 (6)
C7D—C6D—C11D—C10D	−0.2 (8)	C7L—C6L—C11L—C10L	−0.7 (8)
C5D—C6D—C11D—C10D	179.5 (5)	C5L—C6L—C11L—C10L	179.4 (5)
O2E—C1E—C2E—N1E	158.6 (4)	O2M—C1M—C2M—N1M	157.8 (4)
O1E—C1E—C2E—N1E	−22.4 (6)	O1M—C1M—C2M—N1M	−22.4 (6)
O2E—C1E—C2E—C3E	−80.5 (5)	O2M—C1M—C2M—C3M	−80.5 (5)
O1E—C1E—C2E—C3E	98.4 (5)	O1M—C1M—C2M—C3M	99.2 (5)
N1E—C2E—C3E—C5E	−173.1 (4)	N1M—C2M—C3M—C5M	−173.4 (4)
C1E—C2E—C3E—C5E	65.8 (5)	C1M—C2M—C3M—C5M	64.6 (5)
C11E—N2E—C4E—C5E	0.9 (7)	C11M—N2M—C4M—C5M	1.6 (6)
N2E—C4E—C5E—C6E	−0.5 (6)	N2M—C4M—C5M—C6M	−1.5 (6)
N2E—C4E—C5E—C3E	178.0 (5)	N2M—C4M—C5M—C3M	176.7 (5)
C2E—C3E—C5E—C4E	−114.0 (6)	C2M—C3M—C5M—C4M	−112.6 (6)
C2E—C3E—C5E—C6E	64.2 (7)	C2M—C3M—C5M—C6M	65.2 (6)
C4E—C5E—C6E—C7E	−178.7 (6)	C4M—C5M—C6M—C7M	−178.1 (6)
C3E—C5E—C6E—C7E	2.9 (9)	C3M—C5M—C6M—C7M	3.7 (9)
C4E—C5E—C6E—C11E	0.0 (6)	C4M—C5M—C6M—C11M	0.9 (6)
C3E—C5E—C6E—C11E	−178.5 (5)	C3M—C5M—C6M—C11M	−177.2 (5)
C11E—C6E—C7E—C8E	−0.1 (8)	C11M—C6M—C7M—C8M	0.0 (8)
C5E—C6E—C7E—C8E	178.4 (6)	C5M—C6M—C7M—C8M	179.0 (6)
C6E—C7E—C8E—C9E	0.5 (9)	C6M—C7M—C8M—C9M	0.8 (9)
C7E—C8E—C9E—C10E	−0.6 (10)	C7M—C8M—C9M—C10M	−0.8 (10)
C8E—C9E—C10E—C11E	0.3 (9)	C8M—C9M—C10M—C11M	0.0 (9)
C4E—N2E—C11E—C10E	178.7 (6)	C4M—N2M—C11M—C10M	179.1 (6)
C4E—N2E—C11E—C6E	−0.9 (7)	C4M—N2M—C11M—C6M	−1.0 (6)
C9E—C10E—C11E—N2E	−179.4 (6)	C9M—C10M—C11M—N2M	−179.2 (6)
C9E—C10E—C11E—C6E	0.1 (9)	C9M—C10M—C11M—C6M	0.8 (9)
C7E—C6E—C11E—N2E	179.4 (5)	C7M—C6M—C11M—N2M	179.2 (5)
C5E—C6E—C11E—N2E	0.6 (6)	C5M—C6M—C11M—N2M	0.0 (6)
C7E—C6E—C11E—C10E	−0.2 (8)	C7M—C6M—C11M—C10M	−0.8 (8)
C5E—C6E—C11E—C10E	−179.1 (5)	C5M—C6M—C11M—C10M	180.0 (5)
O2F—C1F—C2F—N1F	158.6 (4)	O2N—C1N—C2N—N1N	159.3 (4)
O1F—C1F—C2F—N1F	−21.2 (6)	O1N—C1N—C2N—N1N	−22.1 (6)
O2F—C1F—C2F—C3F	−80.5 (5)	O2N—C1N—C2N—C3N	−79.5 (5)
O1F—C1F—C2F—C3F	99.7 (5)	O1N—C1N—C2N—C3N	99.1 (5)
N1F—C2F—C3F—C5F	−173.7 (4)	N1N—C2N—C3N—C5N	−173.4 (4)
C1F—C2F—C3F—C5F	65.5 (5)	C1N—C2N—C3N—C5N	65.9 (5)
C11F—N2F—C4F—C5F	1.5 (7)	C11N—N2N—C4N—C5N	0.9 (7)
N2F—C4F—C5F—C6F	−1.6 (6)	N2N—C4N—C5N—C6N	−1.0 (6)
N2F—C4F—C5F—C3F	176.8 (5)	N2N—C4N—C5N—C3N	177.9 (5)
C2F—C3F—C5F—C4F	−114.7 (6)	C2N—C3N—C5N—C4N	−115.2 (6)
C2F—C3F—C5F—C6F	63.5 (6)	C2N—C3N—C5N—C6N	63.4 (7)
C4F—C5F—C6F—C7F	−177.6 (6)	C4N—C5N—C6N—C7N	−178.2 (6)
C3F—C5F—C6F—C7F	3.9 (9)	C3N—C5N—C6N—C7N	2.9 (9)
C4F—C5F—C6F—C11F	1.2 (6)	C4N—C5N—C6N—C11N	0.7 (6)
C3F—C5F—C6F—C11F	−177.3 (5)	C3N—C5N—C6N—C11N	−178.1 (5)
C11F—C6F—C7F—C8F	0.7 (8)	C11N—C6N—C7N—C8N	0.7 (8)
C5F—C6F—C7F—C8F	179.4 (6)	C5N—C6N—C7N—C8N	179.5 (6)
C6F—C7F—C8F—C9F	−0.1 (9)	C6N—C7N—C8N—C9N	−1.2 (9)
C7F—C8F—C9F—C10F	0.2 (9)	C7N—C8N—C9N—C10N	1.3 (10)
C8F—C9F—C10F—C11F	−0.9 (9)	C8N—C9N—C10N—C11N	−0.9 (9)
C4F—N2F—C11F—C10F	179.5 (6)	C4N—N2N—C11N—C10N	178.8 (6)
C4F—N2F—C11F—C6F	−0.7 (6)	C4N—N2N—C11N—C6N	−0.4 (6)
C9F—C10F—C11F—N2F	−178.7 (6)	C9N—C10N—C11N—N2N	−178.6 (6)
C9F—C10F—C11F—C6F	1.5 (9)	C9N—C10N—C11N—C6N	0.4 (9)
C7F—C6F—C11F—N2F	178.7 (5)	C7N—C6N—C11N—N2N	179.0 (5)
C5F—C6F—C11F—N2F	−0.3 (6)	C5N—C6N—C11N—N2N	−0.2 (6)
C7F—C6F—C11F—C10F	−1.5 (8)	C7N—C6N—C11N—C10N	−0.3 (8)
C5F—C6F—C11F—C10F	179.5 (5)	C5N—C6N—C11N—C10N	−179.4 (5)
O2G—C1G—C2G—N1G	163.6 (5)	O2O—C1O—C2O—N1O	165.1 (5)
O1G—C1G—C2G—N1G	−17.6 (6)	O1O—C1O—C2O—N1O	−16.0 (6)
O2G—C1G—C2G—C3G	−73.4 (6)	O2O—C1O—C2O—C3O	−71.6 (6)
O1G—C1G—C2G—C3G	105.5 (5)	O1O—C1O—C2O—C3O	107.3 (5)
N1G—C2G—C3G—C5G	−77.8 (5)	N1O—C2O—C3O—C5O	−78.7 (5)
C1G—C2G—C3G—C5G	159.3 (4)	C1O—C2O—C3O—C5O	157.7 (4)
C11G—N2G—C4G—C5G	−0.9 (6)	C11O—N2O—C4O—C5O	−0.5 (7)
N2G—C4G—C5G—C6G	1.0 (6)	N2O—C4O—C5O—C6O	0.3 (6)
N2G—C4G—C5G—C3G	178.5 (5)	N2O—C4O—C5O—C3O	177.3 (5)
C2G—C3G—C5G—C4G	109.6 (6)	C2O—C3O—C5O—C4O	111.8 (6)
C2G—C3G—C5G—C6G	−73.3 (6)	C2O—C3O—C5O—C6O	−71.7 (7)
C4G—C5G—C6G—C7G	177.6 (6)	C4O—C5O—C6O—C7O	178.3 (6)
C3G—C5G—C6G—C7G	0.0 (9)	C3O—C5O—C6O—C7O	1.1 (9)
C4G—C5G—C6G—C11G	−0.8 (6)	C4O—C5O—C6O—C11O	0.0 (6)
C3G—C5G—C6G—C11G	−178.4 (5)	C3O—C5O—C6O—C11O	−177.1 (5)
C11G—C6G—C7G—C8G	−0.2 (8)	C11O—C6O—C7O—C8O	1.1 (8)
C5G—C6G—C7G—C8G	−178.5 (6)	C5O—C6O—C7O—C8O	−177.1 (6)
C6G—C7G—C8G—C9G	−0.4 (9)	C6O—C7O—C8O—C9O	−0.7 (9)
C7G—C8G—C9G—C10G	0.5 (10)	C7O—C8O—C9O—C10O	−0.6 (10)
C8G—C9G—C10G—C11G	0.0 (9)	C8O—C9O—C10O—C11O	1.6 (9)
C4G—N2G—C11G—C10G	−178.7 (6)	C4O—N2O—C11O—C10O	−178.2 (6)
C4G—N2G—C11G—C6G	0.3 (6)	C4O—N2O—C11O—C6O	0.4 (6)
C9G—C10G—C11G—N2G	178.3 (6)	C9O—C10O—C11O—N2O	177.2 (6)
C9G—C10G—C11G—C6G	−0.6 (8)	C9O—C10O—C11O—C6O	−1.3 (9)
C7G—C6G—C11G—N2G	−178.4 (5)	C7O—C6O—C11O—N2O	−178.8 (5)
C5G—C6G—C11G—N2G	0.3 (6)	C5O—C6O—C11O—N2O	−0.3 (6)
C7G—C6G—C11G—C10G	0.7 (8)	C7O—C6O—C11O—C10O	0.0 (8)
C5G—C6G—C11G—C10G	179.4 (5)	C5O—C6O—C11O—C10O	178.5 (5)
O2H—C1H—C2H—N1H	165.8 (4)	O2P—C1P—C2P—N1P	164.3 (5)
O1H—C1H—C2H—N1H	−15.6 (6)	O1P—C1P—C2P—N1P	−17.1 (6)
O2H—C1H—C2H—C3H	−71.8 (6)	O2P—C1P—C2P—C3P	−72.2 (6)
O1H—C1H—C2H—C3H	106.7 (5)	O1P—C1P—C2P—C3P	106.4 (5)
N1H—C2H—C3H—C5H	−80.0 (5)	N1P—C2P—C3P—C5P	−79.1 (6)
C1H—C2H—C3H—C5H	158.1 (4)	C1P—C2P—C3P—C5P	158.1 (5)
C11H—N2H—C4H—C5H	−1.0 (6)	C11P—N2P—C4P—C5P	−0.1 (6)
N2H—C4H—C5H—C6H	1.5 (6)	N2P—C4P—C5P—C6P	0.6 (6)
N2H—C4H—C5H—C3H	178.2 (5)	N2P—C4P—C5P—C3P	179.0 (5)
C2H—C3H—C5H—C4H	113.6 (6)	C2P—C3P—C5P—C4P	111.3 (6)
C2H—C3H—C5H—C6H	−70.3 (6)	C2P—C3P—C5P—C6P	−70.5 (7)
C4H—C5H—C6H—C7H	177.5 (6)	C4P—C5P—C6P—C7P	178.5 (6)
C3H—C5H—C6H—C7H	0.6 (9)	C3P—C5P—C6P—C7P	0.0 (9)
C4H—C5H—C6H—C11H	−1.4 (6)	C4P—C5P—C6P—C11P	−0.8 (6)
C3H—C5H—C6H—C11H	−178.3 (5)	C3P—C5P—C6P—C11P	−179.3 (5)
C11H—C6H—C7H—C8H	−0.8 (8)	C11P—C6P—C7P—C8P	0.6 (8)
C5H—C6H—C7H—C8H	−179.6 (6)	C5P—C6P—C7P—C8P	−178.7 (6)
C6H—C7H—C8H—C9H	1.0 (9)	C6P—C7P—C8P—C9P	−0.3 (9)
C7H—C8H—C9H—C10H	−1.3 (10)	C7P—C8P—C9P—C10P	−0.8 (10)
C8H—C9H—C10H—C11H	1.4 (9)	C8P—C9P—C10P—C11P	1.5 (10)
C4H—N2H—C11H—C10H	−179.2 (6)	C4P—N2P—C11P—C10P	−179.0 (6)
C4H—N2H—C11H—C6H	0.1 (6)	C4P—N2P—C11P—C6P	−0.4 (6)
C9H—C10H—C11H—N2H	177.9 (6)	C9P—C10P—C11P—N2P	177.3 (6)
C9H—C10H—C11H—C6H	−1.3 (8)	C9P—C10P—C11P—C6P	−1.2 (9)
C7H—C6H—C11H—N2H	−178.3 (5)	C7P—C6P—C11P—N2P	−178.7 (5)
C5H—C6H—C11H—N2H	0.8 (6)	C5P—C6P—C11P—N2P	0.7 (6)
C7H—C6H—C11H—C10H	1.1 (8)	C7P—C6P—C11P—C10P	0.1 (8)
C5H—C6H—C11H—C10H	−179.8 (5)	C5P—C6P—C11P—C10P	179.6 (5)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1A—H1A···O1E	0.91	1.91	2.797 (5)	165
N1B—H1B···O1F	0.91	1.90	2.784 (6)	165
N1C—H1C···O1G	0.91	1.98	2.820 (6)	152
N1D—H1D···O1H	0.91	1.94	2.813 (5)	159
N1E—H1E···O1C^i	0.91	1.94	2.789 (5)	155
N1F—H1F···O1D^i	0.91	1.93	2.798 (5)	159
N1G—H1G···O1B	0.91	1.95	2.811 (6)	158
N1H—H1H···O1A^ii	0.91	1.94	2.810 (5)	161
N1I—H1I···O1M	0.91	1.93	2.801 (5)	159
N1J—H1J···O1N	0.91	1.92	2.786 (6)	157
N1K—H1K···O1O	0.91	1.96	2.833 (5)	159
N1L—H1L···O1P	0.91	1.94	2.812 (5)	161
N1M—H1M···O1L^iii	0.91	1.95	2.796 (5)	155
N1N—H1N···O1K	0.91	1.91	2.789 (5)	162
N1O—H1O···O1I	0.91	1.94	2.813 (6)	160
N1P—H1P···O1J	0.91	1.96	2.809 (6)	154
N1A—H2A···O2B	0.91	1.83	2.704 (6)	161
N1B—H2B···O2A^ii	0.91	1.84	2.716 (6)	162
N1C—H2C···O2D	0.91	1.81	2.716 (6)	176
N1D—H2D···O2C^ii	0.91	1.83	2.713 (6)	165
N1E—H2E···O2F^iv	0.91	1.82	2.720 (6)	172
N1F—H2F···O2E	0.91	1.83	2.717 (6)	165
N1G—H2G···O2H^iv	0.91	1.79	2.697 (6)	172
N1H—H2H···O2G	0.91	1.81	2.709 (6)	167
N1I—H2I···O2J^i	0.91	1.80	2.699 (6)	169
N1J—H2J···O2I^ii	0.91	1.81	2.711 (6)	170
N1K—H2K···O2L^i	0.91	1.84	2.716 (6)	161
N1L—H2L···O2K^ii	0.91	1.83	2.713 (6)	162
N1M—H2M···O2N^iv	0.91	1.82	2.723 (6)	171
N1N—H2N···O2M^v	0.91	1.86	2.735 (6)	161
N1O—H2O···O2P^iv	0.91	1.79	2.692 (6)	169
N1P—H2P···O2O^v	0.91	1.79	2.699 (6)	177
N1A—H3A···O1H^iv	0.91	1.97	2.876 (6)	175
N1B—H3B···O1G	0.91	1.97	2.880 (6)	176
N1C—H3C···O1E^v	0.91	2.03	2.918 (6)	165
N1D—H3D···O1F^v	0.91	2.01	2.919 (6)	173
N1E—H3E···O1A	0.91	1.99	2.886 (6)	170
N1F—H3F···O1B	0.91	1.99	2.895 (6)	175
N1G—H3G···O1C	0.91	2.02	2.916 (6)	166
N1H—H3H···O1D	0.91	2.03	2.926 (6)	167
N1I—H3I···O1O	0.91	1.97	2.870 (6)	172
N1J—H3J···O1P	0.91	1.97	2.875 (6)	171
N1K—H3K···O1N	0.91	2.01	2.915 (5)	175
N1L—H3L···O1M^vi	0.91	2.02	2.928 (6)	173
N1M—H3M···O1I	0.91	1.99	2.891 (6)	170
N1N—H3N···O1J	0.91	1.98	2.893 (5)	179
N1O—H3O···O1K	0.91	2.03	2.925 (6)	166
N1P—H3P···O1L	0.91	2.04	2.919 (6)	161

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