(-)-(3a'S,4'S,9b'S,1R,2S,5R)-4'-Ethyl-3a',4',5',7',8',9b'-hexahydro-2-isopropyl-5-methyl-2'-phenyl­spiro­[cyclo­hexane-1,7'-dioxino[3,2-e]isoindole]-1',3',9'-trione

The title compound, C₂₇H₃₃NO₅, obtained from diethyl ether, crystallizes in space group P2₁ with four molecules in the asymmetric unit. The dioxinone and imide rings are almost planar, whereas the cyclo­hexane and cyclohexene rings form distorted conformations. The crystal structure confirms an earlier proposal about the stereoselectivity of Diels-Alder reactions to spiro­cyclic chiral 1,3-dienes.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.009 Å
• R factor = 0.051
• wR factor = 0.154
• Data-to-parameter ratio = 17.1

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       5.38 Ratio

Author Response: the structure contains 4 different pseudosymmetrical molecules and the crystal is a twin !!

PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       5.25 Ratio

Author Response: the structure contains 4 different pseudosymmetrical molecules and the crystal is a twin !!

Alert level B
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...          2
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.28 Ratio
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.20 Ratio
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C25A   -   C30A    ..       9.65 su
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C26A   -   C27A    ..       7.46 su
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C30B   -   C32B    ..       7.16 su
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C26D   -   C27D    ..       7.21 su
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for       C27D
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for       C18A
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for       C25A
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for       C29A
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for       C30B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for       C25D

Alert level C
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.80 mm
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.27
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT199_ALERT_1_C Check the Reported cell_measurement_temperature         293
PLAT200_ALERT_1_C Check the Reported cell_ambient_temperature ....        293
PLAT213_ALERT_2_C Atom C27A    has ADP max/min Ratio .............       3.10 prolat
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.83 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.42 Ratio

Author Response: the structure contains 4 different pseudosymmetrical molecules and the crystal is a twin !!

PLAT230_ALERT_2_C Hirshfeld Test Diff for    O24A   -   C20A    ..       5.03 su
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C1B    -   C2B     ..       6.65 su
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       O21A
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C2A
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C16A
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C27A
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C28A
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C16D
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C28D
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C18B
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C30C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C18D
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C29D
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.31
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.14
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C1B    -C6B           1.37 Ang.
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C26A   -   C27A   ...       1.43 Ang.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C30B   -   C32B   ...       1.37 Ang.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C26D   -   C27D   ...       1.43 Ang.

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           75.06
           From the CIF: _reflns_number_total              20376
           Count of symmetry unique reflns        10780
           Completeness (_total/calc)            189.02%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      9596
           Fraction of Friedel pairs measured     0.890
           Are heavy atom types Z>Si present         no

   2 ALERT level A = In general: serious problem
  13 ALERT level B = Potentially serious problem
  28 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  35 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: CAD-4 Software (Enraf–Nonius, 1989); cell refinement: CAD-4 Software; data reduction: CORINC (Dräger & Gattow, 1971); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

(-)-(3a'S,4'S,9b'S,1R,2S,5R)-4'-Ethyl-3a',4',5',7',8',9b'-hexahydro-2- isopropyl-5-methyl-2'-phenylspiro[cyclohexane-1,7'-dioxino[3,2-e]isoindole]- 1',3',9'-trione

Crystal data

C27H33NO5	Dx = 1.200 Mg m^−3 Dm = 1.237 Mg m^−3 Dm measured by floatation
Mr = 451.54	Melting point: 164 K
Monoclinic, P21	Cu Kα radiation, λ = 1.54178 Å
a = 14.310 (1) Å	Cell parameters from 25 reflections
b = 13.1112 (5) Å	θ = 36–45°
c = 26.642 (2) Å	µ = 0.66 mm^−1
β = 90.007 (5)°	T = 293 K
V = 4998.6 (5) Å^3	Block, colourless
Z = 8	0.80 × 0.39 × 0.27 mm
F(000) = 1936

Data collection

Enraf–Nonius CAD-4 diffractometer	Rint = 0.022
Radiation source: rotating anode	θmax = 75.1°, θmin = 1.7°
Graphite monochromator	h = −17→16
θ/2ω scans	k = −16→16
22636 measured reflections	l = −33→33
20376 independent reflections	3 standard reflections every 60 min
16110 reflections with I > 2σ(I)	intensity decay: 2%

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)] = 0.051	H-atom parameters constrained
wR(F^2) = 0.154	w = 1/[σ^2(Fo^2) + (0.0926P)^2 + 0.2501P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.001
20376 reflections	Δρmax = 0.44 e Å^−3
1190 parameters	Δρmin = −0.19 e Å^−3
76 restraints	Absolute structure: Flack (1983), 9618 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.02 (14)

Special details

Experimental. crystallized as a pseudo orthorhombic twin

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

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

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

	x	y	z	Uiso*/Ueq
C1A	1.0159 (6)	0.4509 (5)	0.2214 (3)	0.0947 (19)
H1A	1.0492	0.5100	0.2286	0.114*
C2A	0.9234 (6)	0.4424 (7)	0.2369 (4)	0.125 (3)
H2A	0.8963	0.4938	0.2560	0.150*
C3A	0.8734 (6)	0.3596 (6)	0.2241 (3)	0.105 (3)
H3A	0.8107	0.3550	0.2329	0.126*
C4A	0.9171 (4)	0.2789 (5)	0.19704 (19)	0.0657 (13)
C5A	1.0074 (4)	0.2883 (5)	0.18342 (19)	0.0690 (14)
H5A	1.0360	0.2363	0.1653	0.083*
C6A	1.0580 (5)	0.3747 (6)	0.1961 (3)	0.0858 (18)
H6A	1.1207	0.3801	0.1873	0.103*
N7A	0.8639 (3)	0.1891 (3)	0.18526 (14)	0.0572 (9)
C8A	0.7820 (4)	0.1919 (4)	0.15731 (16)	0.0564 (11)
C9A	0.7443 (3)	0.0812 (4)	0.15456 (16)	0.0529 (10)
H9A	0.6836	0.0772	0.1715	0.063*
C10A	0.8191 (3)	0.0147 (4)	0.18453 (17)	0.0585 (11)
H10A	0.7873	−0.0173	0.2130	0.070*
C11A	0.8854 (4)	0.0945 (4)	0.20476 (15)	0.0618 (12)
O12A	0.7469 (3)	0.2625 (3)	0.13930 (17)	0.0823 (12)
O13A	0.9473 (3)	0.0802 (4)	0.23506 (17)	0.0912 (13)
C14A	0.7341 (3)	0.0477 (4)	0.10071 (16)	0.0541 (11)
C15A	0.7979 (3)	−0.0009 (4)	0.07627 (17)	0.0585 (11)
C16A	0.8875 (4)	−0.0293 (6)	0.1000 (2)	0.091 (2)
H16A	0.9285	0.0295	0.1017	0.109*
H16B	0.9183	−0.0821	0.0806	0.109*
C17A	0.8648 (4)	−0.0688 (5)	0.1535 (2)	0.0798 (16)
H17A	0.8194	−0.1243	0.1501	0.096*
C18A	0.9504 (6)	−0.1119 (7)	0.1804 (2)	0.114 (3)
H18A	1.0022	−0.0648	0.1764	0.137*
H18B	0.9370	−0.1169	0.2160	0.137*
C19A	0.9794 (9)	−0.2148 (9)	0.1614 (4)	0.226 (8)
H19A	1.0330	−0.2380	0.1798	0.339*
H19B	0.9947	−0.2101	0.1264	0.339*
H19C	0.9289	−0.2622	0.1659	0.339*
C20A	0.6468 (4)	0.0788 (4)	0.07452 (17)	0.0636 (12)
O21A	0.6487 (3)	0.0580 (3)	0.02387 (12)	0.0797 (11)
C22A	0.7012 (4)	−0.0240 (4)	0.00552 (18)	0.0644 (13)
O23A	0.7935 (2)	−0.0258 (3)	0.02694 (11)	0.0639 (9)
O24A	0.5825 (3)	0.1192 (3)	0.09258 (13)	0.0803 (11)
C25A	0.7148 (4)	−0.0118 (5)	−0.05111 (17)	0.0793 (16)
H25A	0.7525	−0.0704	−0.0616	0.095*
C26A	0.6185 (6)	−0.0277 (9)	−0.0753 (2)	0.145 (4)
H26A	0.5777	0.0276	−0.0651	0.174*
H26B	0.6252	−0.0242	−0.1115	0.174*
C27A	0.5753 (5)	−0.1225 (12)	−0.0624 (3)	0.188 (7)
H27A	0.6128	−0.1776	−0.0759	0.226*
H27B	0.5145	−0.1257	−0.0785	0.226*
C28A	0.5626 (6)	−0.1399 (9)	−0.0057 (3)	0.187 (5)
H28A	0.5208	−0.0862	0.0066	0.224*
C29A	0.6543 (5)	−0.1246 (5)	0.0191 (2)	0.0900 (18)
H29A	0.6955	−0.1802	0.0097	0.108*
H29B	0.6457	−0.1273	0.0551	0.108*
C30A	0.7677 (8)	0.0777 (7)	−0.0661 (3)	0.142 (3)
H30A	0.8136	0.0969	−0.0404	0.170*
C31A	0.8138 (10)	0.0654 (10)	−0.1177 (3)	0.178 (4)
H31A	0.8572	0.0096	−0.1167	0.267*
H31B	0.8464	0.1270	−0.1262	0.267*
H31C	0.7667	0.0519	−0.1425	0.267*
C32A	0.6959 (9)	0.1680 (8)	−0.0766 (4)	0.186 (4)
H32A	0.7297	0.2287	−0.0853	0.280*
H32B	0.6592	0.1803	−0.0471	0.280*
H32C	0.6554	0.1494	−0.1039	0.280*
C33A	0.5187 (8)	−0.2444 (9)	0.0101 (4)	0.208 (5)
H33A	0.4583	−0.2516	−0.0052	0.311*
H33B	0.5123	−0.2467	0.0460	0.311*
H33C	0.5585	−0.2990	−0.0008	0.311*
C1B	0.7709 (5)	−0.2080 (6)	0.2817 (3)	0.098 (2)
H1B	0.8068	−0.2646	0.2732	0.118*
C2B	0.8094 (4)	−0.1322 (5)	0.3063 (2)	0.0665 (13)
H2B	0.8719	−0.1368	0.3157	0.080*
C3B	0.7596 (3)	−0.0460 (4)	0.31831 (16)	0.0556 (11)
H3B	0.7872	0.0073	0.3360	0.067*
C4B	0.6657 (3)	−0.0408 (4)	0.30314 (17)	0.0531 (10)
C5B	0.6244 (4)	−0.1157 (5)	0.2798 (3)	0.0849 (18)
H5B	0.5617	−0.1118	0.2707	0.102*
C6B	0.6794 (6)	−0.2049 (5)	0.2688 (3)	0.103 (2)
H6B	0.6521	−0.2603	0.2527	0.123*
N7B	0.6129 (3)	0.0481 (3)	0.31522 (14)	0.0547 (9)
C8B	0.5299 (3)	0.0499 (4)	0.34237 (19)	0.0575 (11)
C9B	0.4937 (3)	0.1557 (4)	0.34563 (16)	0.0555 (11)
H9B	0.4328	0.1576	0.3288	0.067*
C10B	0.5597 (3)	0.2191 (4)	0.31578 (17)	0.0552 (11)
H10B	0.5258	0.2449	0.2865	0.066*
C11B	0.6348 (4)	0.1436 (4)	0.29675 (18)	0.0597 (11)
O12B	0.4973 (3)	−0.0289 (3)	0.36026 (17)	0.0802 (11)
O13B	0.6994 (3)	0.1616 (3)	0.26958 (16)	0.0855 (12)
C14B	0.4785 (3)	0.1834 (4)	0.40066 (16)	0.0559 (11)
C15B	0.5473 (3)	0.2402 (4)	0.42441 (16)	0.0544 (11)
C16B	0.6290 (3)	0.2841 (4)	0.39801 (15)	0.0570 (10)
H16C	0.6795	0.2348	0.3976	0.068*
H16D	0.6505	0.3442	0.4159	0.068*
C17B	0.6034 (3)	0.3134 (4)	0.34366 (15)	0.0555 (10)
H17B	0.5532	0.3640	0.3463	0.067*
C18B	0.6821 (4)	0.3653 (4)	0.31609 (19)	0.0730 (13)
H18C	0.6702	0.3617	0.2803	0.088*
H18D	0.7398	0.3290	0.3228	0.088*
C19B	0.6943 (7)	0.4778 (6)	0.3313 (3)	0.129 (3)
H19D	0.7436	0.5078	0.3118	0.193*
H19E	0.7097	0.4817	0.3663	0.193*
H19F	0.6370	0.5140	0.3252	0.193*
C20B	0.4046 (3)	0.1427 (4)	0.42909 (16)	0.0545 (10)
O21B	0.4095 (2)	0.1540 (3)	0.47988 (10)	0.0558 (6)
C22B	0.4536 (3)	0.2463 (4)	0.49858 (18)	0.0587 (11)
O23B	0.5416 (3)	0.2662 (3)	0.47307 (11)	0.0671 (10)
O24B	0.3388 (2)	0.0931 (3)	0.41276 (13)	0.0731 (9)
C25B	0.4764 (3)	0.2297 (5)	0.55395 (17)	0.0657 (12)
H25B	0.5084	0.2913	0.5657	0.079*
C26B	0.3837 (3)	0.2214 (4)	0.58391 (15)	0.0707 (11)
H26C	0.3499	0.1611	0.5732	0.085*
H26D	0.3976	0.2140	0.6194	0.085*
C27B	0.3219 (4)	0.3161 (5)	0.57606 (18)	0.0846 (15)
H27C	0.3542	0.3761	0.5885	0.101*
H27D	0.2643	0.3086	0.5949	0.101*
C28B	0.2988 (3)	0.3304 (4)	0.51902 (16)	0.0708 (10)
H28B	0.2630	0.2714	0.5072	0.085*
C29B	0.3898 (3)	0.3353 (4)	0.49102 (17)	0.0652 (10)
H29C	0.3763	0.3413	0.4555	0.078*
H29D	0.4225	0.3967	0.5011	0.078*
C30B	0.5418 (3)	0.1392 (4)	0.56474 (19)	0.0774 (12)
H30B	0.5811	0.1285	0.5351	0.093*
C31B	0.6071 (5)	0.1753 (7)	0.6094 (3)	0.147 (3)
H31D	0.6393	0.2366	0.5998	0.221*
H31E	0.6519	0.1229	0.6167	0.221*
H31F	0.5698	0.1883	0.6386	0.221*
C32B	0.5069 (6)	0.0467 (6)	0.5792 (4)	0.151 (3)
H32D	0.4731	0.0167	0.5518	0.226*
H32E	0.4656	0.0558	0.6072	0.226*
H32F	0.5574	0.0026	0.5887	0.226*
C33B	0.2401 (3)	0.4267 (4)	0.5123 (2)	0.0905 (14)
H33D	0.2273	0.4368	0.4772	0.136*
H33E	0.2738	0.4844	0.5251	0.136*
H33F	0.1823	0.4195	0.5302	0.136*
C1C	1.2594 (6)	−0.2278 (7)	0.2862 (3)	0.110 (3)
H1C	1.2928	−0.2872	0.2798	0.132*
C2C	1.3019 (5)	−0.1478 (5)	0.3088 (3)	0.0822 (17)
H2C	1.3645	−0.1531	0.3178	0.099*
C3C	1.2537 (4)	−0.0573 (5)	0.31884 (17)	0.0635 (12)
H3C	1.2831	−0.0023	0.3341	0.076*
C4C	1.1594 (4)	−0.0526 (4)	0.30505 (16)	0.0564 (11)
C5C	1.1172 (5)	−0.1302 (6)	0.2826 (2)	0.0875 (19)
H5C	1.0548	−0.1256	0.2731	0.105*
C6C	1.1699 (7)	−0.2215 (6)	0.2733 (3)	0.108 (3)
H6C	1.1410	−0.2769	0.2580	0.129*
N7C	1.1093 (3)	0.0379 (3)	0.31607 (14)	0.0572 (9)
C8C	1.1335 (4)	0.1310 (4)	0.29458 (18)	0.0650 (13)
C9C	1.0702 (4)	0.2134 (4)	0.31770 (16)	0.0580 (11)
H9C	1.0397	0.2509	0.2904	0.070*
C10C	0.9982 (3)	0.1553 (4)	0.34545 (15)	0.0530 (10)
H10C	0.9395	0.1600	0.3266	0.064*
C11C	1.0289 (3)	0.0458 (4)	0.34506 (17)	0.0544 (10)
O12C	1.1933 (3)	0.1399 (4)	0.26402 (15)	0.0863 (12)
O13C	0.9944 (3)	−0.0285 (3)	0.36544 (14)	0.0686 (9)
C14C	0.9783 (3)	0.1869 (4)	0.39977 (15)	0.0523 (10)
C15C	1.0516 (3)	0.2258 (4)	0.42633 (16)	0.0543 (11)
C16C	1.1442 (3)	0.2482 (4)	0.40211 (16)	0.0606 (11)
H16E	1.1813	0.1864	0.4002	0.073*
H16F	1.1783	0.2978	0.4220	0.073*
C17C	1.1273 (3)	0.2899 (4)	0.34977 (17)	0.0594 (11)
H17C	1.0881	0.3506	0.3538	0.071*
C18C	1.2183 (4)	0.3257 (6)	0.3252 (2)	0.0916 (17)
H18E	1.2628	0.2700	0.3262	0.110*
H18F	1.2058	0.3407	0.2902	0.110*
C19C	1.2614 (5)	0.4150 (6)	0.3480 (2)	0.118 (2)
H19G	1.3193	0.4297	0.3312	0.177*
H19H	1.2734	0.4017	0.3828	0.177*
H19I	1.2201	0.4723	0.3449	0.177*
C20C	0.8914 (3)	0.1691 (3)	0.42348 (15)	0.0481 (9)
O21C	0.8876 (2)	0.1908 (2)	0.47425 (10)	0.0522 (6)
C22C	0.9478 (3)	0.2730 (4)	0.49204 (15)	0.0497 (9)
O23C	1.0426 (2)	0.2563 (3)	0.47460 (11)	0.0624 (9)
O24C	0.8213 (2)	0.1305 (3)	0.40480 (12)	0.0648 (8)
C25C	0.9495 (3)	0.2647 (3)	0.54976 (14)	0.0494 (9)
H25C	0.9920	0.3187	0.5611	0.059*
C26C	0.8572 (3)	0.2908 (3)	0.57153 (15)	0.0569 (9)
H26E	0.8624	0.2919	0.6078	0.068*
H26F	0.8127	0.2381	0.5626	0.068*
C27C	0.8206 (3)	0.3929 (3)	0.55379 (13)	0.0596 (9)
H27E	0.8603	0.4467	0.5668	0.071*
H27F	0.7582	0.4032	0.5671	0.071*
C28C	0.8175 (3)	0.4000 (3)	0.49661 (12)	0.0547 (8)
H28C	0.7722	0.3501	0.4841	0.066*
C29C	0.9139 (3)	0.3743 (3)	0.47437 (14)	0.0533 (9)
H29E	0.9099	0.3740	0.4380	0.064*
H29F	0.9584	0.4266	0.4841	0.064*
C30C	0.9932 (3)	0.1615 (3)	0.57011 (14)	0.0602 (9)
H30C	1.0373	0.1367	0.5447	0.072*
C31C	0.9219 (4)	0.0789 (4)	0.5786 (2)	0.1012 (16)
H31G	0.8886	0.0663	0.5479	0.152*
H31H	0.8788	0.1001	0.6041	0.152*
H31I	0.9529	0.0176	0.5891	0.152*
C32C	1.0493 (5)	0.1842 (5)	0.6179 (2)	0.110 (2)
H32G	1.0965	0.2342	0.6107	0.165*
H32H	1.0785	0.1227	0.6296	0.165*
H32I	1.0081	0.2099	0.6434	0.165*
C33C	0.7869 (3)	0.5051 (4)	0.48000 (16)	0.0771 (11)
H33G	0.7267	0.5202	0.4941	0.116*
H33H	0.7829	0.5071	0.4440	0.116*
H33I	0.8315	0.5547	0.4913	0.116*
C1D	0.5104 (6)	0.4543 (5)	0.21347 (19)	0.0860 (18)
H1D	0.5439	0.5136	0.2202	0.103*
C2D	0.5558 (5)	0.3703 (5)	0.1897 (2)	0.0777 (16)
H2D	0.6188	0.3737	0.1813	0.093*
C3D	0.5053 (4)	0.2855 (5)	0.1798 (2)	0.0688 (13)
H3D	0.5336	0.2303	0.1640	0.083*
C4D	0.4128 (4)	0.2802 (4)	0.19289 (17)	0.0612 (12)
C5D	0.3675 (5)	0.3641 (4)	0.2163 (2)	0.0738 (15)
H5D	0.3044	0.3609	0.2245	0.089*
C6D	0.4180 (6)	0.4485 (6)	0.2264 (3)	0.0904 (18)
H6D	0.3896	0.5035	0.2423	0.109*
N7D	0.3608 (3)	0.1881 (3)	0.18284 (14)	0.0570 (9)
C8D	0.2758 (4)	0.1898 (4)	0.15532 (16)	0.0559 (11)
C9D	0.2407 (3)	0.0800 (4)	0.15282 (16)	0.0532 (10)
H9D	0.1800	0.0750	0.1697	0.064*
C10D	0.3170 (4)	0.0167 (4)	0.18380 (17)	0.0583 (11)
H10D	0.2859	−0.0145	0.2127	0.070*
C11D	0.3815 (4)	0.0942 (4)	0.20238 (16)	0.0630 (13)
O12D	0.2404 (3)	0.2601 (3)	0.13690 (17)	0.0769 (11)
O13D	0.4465 (4)	0.0821 (4)	0.23220 (19)	0.0963 (15)
C14D	0.2309 (3)	0.0455 (4)	0.09892 (16)	0.0542 (11)
C15D	0.2963 (4)	−0.0019 (4)	0.07476 (18)	0.0616 (12)
C16D	0.3843 (4)	−0.0316 (6)	0.0991 (2)	0.0886 (19)
H16G	0.4268	0.0261	0.1003	0.106*
H16H	0.4141	−0.0861	0.0804	0.106*
C17D	0.3604 (4)	−0.0678 (5)	0.1529 (2)	0.0753 (14)
H17D	0.3138	−0.1221	0.1498	0.090*
C18D	0.4473 (5)	−0.1141 (6)	0.1811 (3)	0.116 (3)
H18G	0.5003	−0.0689	0.1766	0.139*
H18H	0.4335	−0.1171	0.2167	0.139*
C19D	0.4734 (8)	−0.2166 (9)	0.1637 (4)	0.207 (7)
H19J	0.5254	−0.2411	0.1830	0.311*
H19K	0.4905	−0.2138	0.1289	0.311*
H19L	0.4213	−0.2620	0.1679	0.311*
C20D	0.1432 (4)	0.0772 (4)	0.07216 (18)	0.0637 (12)
O21D	0.1454 (3)	0.0565 (3)	0.02225 (13)	0.0786 (11)
C22D	0.1968 (4)	−0.0249 (5)	0.00329 (19)	0.0680 (14)
O23D	0.2902 (2)	−0.0264 (3)	0.02532 (12)	0.0639 (9)
O24D	0.0790 (3)	0.1183 (3)	0.09026 (14)	0.0781 (11)
C25D	0.2108 (5)	−0.0135 (6)	−0.05264 (18)	0.0863 (18)
H25D	0.2488	−0.0722	−0.0628	0.104*
C26D	0.1106 (7)	−0.0325 (8)	−0.0762 (2)	0.142 (4)
H26G	0.0694	0.0223	−0.0657	0.171*
H26H	0.1156	−0.0295	−0.1125	0.171*
C27D	0.0690 (6)	−0.1276 (12)	−0.0625 (4)	0.208 (8)
H27G	0.1073	−0.1824	−0.0758	0.250*
H27H	0.0081	−0.1323	−0.0783	0.250*
C28D	0.0577 (7)	−0.1430 (9)	−0.0072 (4)	0.194 (5)
H28D	0.0162	−0.0882	0.0042	0.233*
C29D	0.1494 (5)	−0.1236 (5)	0.0174 (2)	0.102 (2)
H29G	0.1911	−0.1795	0.0092	0.123*
H29H	0.1402	−0.1242	0.0535	0.123*
C30D	0.2634 (8)	0.0762 (7)	−0.0681 (3)	0.139 (3)
H30D	0.3098	0.0973	−0.0432	0.167*
C31D	0.3034 (10)	0.0653 (10)	−0.1188 (3)	0.188 (4)
H31J	0.3310	0.1288	−0.1289	0.281*
H31K	0.2548	0.0470	−0.1420	0.281*
H31L	0.3503	0.0130	−0.1184	0.281*
C32D	0.1890 (9)	0.1647 (8)	−0.0807 (4)	0.187 (4)
H32J	0.2211	0.2231	−0.0938	0.281*
H32K	0.1563	0.1834	−0.0506	0.281*
H32L	0.1451	0.1402	−0.1051	0.281*
C33D	0.0117 (9)	−0.2430 (9)	0.0101 (4)	0.224 (5)
H33J	0.0058	−0.2428	0.0460	0.336*
H33K	0.0497	−0.2997	0.0000	0.336*
H33L	−0.0491	−0.2490	−0.0048	0.336*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1A	0.098 (5)	0.083 (4)	0.103 (4)	−0.026 (3)	0.002 (4)	−0.018 (3)
C2A	0.098 (5)	0.122 (5)	0.155 (7)	−0.038 (4)	0.026 (5)	−0.064 (5)
C3A	0.092 (5)	0.114 (5)	0.109 (5)	−0.026 (4)	0.037 (4)	−0.059 (4)
C4A	0.059 (3)	0.088 (3)	0.050 (2)	−0.005 (2)	0.002 (2)	−0.011 (2)
C5A	0.055 (3)	0.096 (4)	0.056 (2)	−0.020 (3)	−0.012 (2)	0.003 (3)
C6A	0.068 (3)	0.105 (4)	0.084 (4)	−0.013 (3)	−0.011 (3)	0.017 (3)
N7A	0.051 (2)	0.081 (3)	0.0397 (17)	−0.0134 (19)	−0.0034 (16)	−0.0059 (17)
C8A	0.053 (2)	0.078 (3)	0.0383 (18)	−0.008 (2)	0.0010 (19)	−0.0032 (19)
C9A	0.044 (2)	0.074 (3)	0.041 (2)	−0.001 (2)	−0.0039 (17)	0.000 (2)
C10A	0.049 (2)	0.087 (3)	0.039 (2)	0.002 (2)	−0.0093 (18)	0.003 (2)
C11A	0.064 (3)	0.090 (3)	0.0309 (18)	−0.013 (3)	−0.0085 (19)	−0.002 (2)
O12A	0.073 (3)	0.085 (3)	0.090 (3)	0.011 (2)	−0.017 (2)	0.001 (2)
O13A	0.095 (3)	0.106 (3)	0.072 (2)	−0.005 (2)	−0.048 (2)	0.005 (2)
C14A	0.044 (2)	0.078 (3)	0.041 (2)	0.005 (2)	−0.0063 (16)	−0.0135 (19)
C15A	0.046 (2)	0.084 (3)	0.046 (2)	0.001 (2)	−0.0105 (18)	−0.012 (2)
C16A	0.057 (3)	0.158 (6)	0.058 (3)	0.032 (3)	−0.013 (2)	−0.029 (3)
C17A	0.082 (3)	0.094 (3)	0.064 (3)	0.010 (3)	−0.026 (2)	−0.014 (2)
C18A	0.111 (5)	0.160 (6)	0.071 (3)	0.056 (5)	−0.034 (3)	−0.024 (4)
C19A	0.239 (12)	0.244 (12)	0.197 (10)	0.164 (11)	−0.131 (10)	−0.120 (9)
C20A	0.052 (2)	0.100 (3)	0.0388 (19)	0.004 (2)	−0.0055 (17)	−0.005 (2)
O21A	0.0678 (19)	0.125 (3)	0.0467 (16)	0.0320 (19)	−0.0079 (15)	−0.0196 (18)
C22A	0.058 (2)	0.092 (3)	0.044 (2)	0.010 (2)	−0.0044 (18)	−0.024 (2)
O23A	0.0455 (17)	0.101 (2)	0.0453 (16)	0.0094 (17)	0.0017 (14)	−0.0163 (17)
O24A	0.0530 (17)	0.134 (3)	0.0534 (16)	0.0266 (18)	−0.0035 (13)	−0.0269 (18)
C25A	0.069 (3)	0.123 (4)	0.047 (2)	0.020 (3)	−0.001 (2)	−0.019 (3)
C26A	0.111 (6)	0.277 (13)	0.047 (3)	0.043 (7)	−0.019 (3)	−0.041 (5)
C27A	0.066 (4)	0.41 (2)	0.089 (5)	−0.003 (7)	−0.008 (3)	−0.119 (9)
C28A	0.129 (6)	0.303 (11)	0.129 (6)	−0.095 (7)	0.034 (4)	−0.129 (7)
C29A	0.096 (4)	0.119 (4)	0.055 (3)	−0.008 (3)	0.009 (2)	−0.027 (3)
C30A	0.216 (8)	0.137 (5)	0.072 (3)	0.051 (5)	0.030 (5)	0.002 (4)
C31A	0.238 (9)	0.192 (7)	0.104 (5)	0.023 (7)	0.059 (6)	−0.019 (5)
C32A	0.259 (10)	0.150 (6)	0.150 (6)	0.068 (7)	0.038 (7)	0.013 (5)
C33A	0.175 (7)	0.304 (12)	0.144 (6)	−0.126 (7)	0.043 (6)	−0.107 (7)
C1B	0.069 (3)	0.089 (4)	0.137 (6)	0.028 (3)	0.013 (4)	0.000 (4)
C2B	0.050 (3)	0.081 (3)	0.068 (3)	0.012 (2)	−0.003 (2)	0.009 (2)
C3B	0.056 (2)	0.068 (3)	0.0425 (19)	−0.009 (2)	−0.0074 (18)	0.0096 (18)
C4B	0.048 (2)	0.066 (3)	0.046 (2)	0.006 (2)	−0.0022 (17)	0.0038 (18)
C5B	0.054 (3)	0.100 (4)	0.101 (4)	0.011 (3)	−0.014 (3)	−0.025 (3)
C6B	0.100 (5)	0.075 (3)	0.134 (6)	−0.001 (3)	−0.027 (4)	−0.042 (4)
N7B	0.051 (2)	0.069 (2)	0.0443 (17)	−0.0050 (18)	0.0001 (16)	0.0005 (16)
C8B	0.043 (2)	0.074 (3)	0.056 (2)	−0.010 (2)	0.0018 (19)	−0.006 (2)
C9B	0.042 (2)	0.085 (3)	0.0394 (19)	0.006 (2)	−0.0096 (17)	−0.009 (2)
C10B	0.059 (2)	0.064 (2)	0.043 (2)	0.014 (2)	−0.0067 (19)	−0.0095 (19)
C11B	0.055 (3)	0.069 (3)	0.054 (2)	−0.004 (2)	0.004 (2)	−0.003 (2)
O12B	0.068 (2)	0.079 (2)	0.094 (3)	0.003 (2)	0.024 (2)	0.005 (2)
O13B	0.097 (3)	0.082 (2)	0.078 (2)	0.006 (2)	0.046 (2)	0.0005 (19)
C14B	0.040 (2)	0.081 (3)	0.047 (2)	0.005 (2)	−0.0105 (16)	−0.012 (2)
C15B	0.046 (2)	0.077 (3)	0.040 (2)	−0.007 (2)	−0.0108 (17)	−0.0093 (19)
C16B	0.044 (2)	0.078 (2)	0.049 (2)	−0.0110 (19)	−0.0021 (16)	−0.0042 (18)
C17B	0.055 (2)	0.069 (2)	0.0421 (18)	−0.0026 (19)	0.0004 (16)	−0.0061 (16)
C18B	0.073 (3)	0.087 (3)	0.059 (2)	−0.011 (2)	0.007 (2)	0.008 (2)
C19B	0.182 (7)	0.104 (4)	0.101 (4)	−0.047 (5)	0.039 (5)	−0.021 (3)
C20B	0.0401 (18)	0.077 (3)	0.0463 (19)	−0.0014 (18)	−0.0038 (15)	−0.0229 (18)
O21B	0.0465 (13)	0.0762 (17)	0.0448 (12)	−0.0086 (12)	0.0056 (10)	−0.0142 (12)
C22B	0.047 (2)	0.082 (3)	0.047 (2)	−0.009 (2)	0.0022 (18)	−0.014 (2)
O23B	0.063 (2)	0.097 (2)	0.0413 (15)	−0.0210 (19)	0.0030 (15)	−0.0159 (16)
O24B	0.0521 (17)	0.102 (2)	0.0651 (18)	−0.0208 (16)	0.0087 (14)	−0.0243 (17)
C25B	0.059 (2)	0.090 (3)	0.048 (2)	−0.008 (2)	−0.0038 (18)	−0.008 (2)
C26B	0.062 (2)	0.109 (3)	0.0412 (17)	−0.002 (2)	0.0081 (16)	−0.0051 (19)
C27B	0.076 (3)	0.116 (4)	0.061 (2)	0.002 (3)	0.019 (2)	−0.033 (3)
C28B	0.056 (2)	0.087 (3)	0.070 (2)	0.0128 (19)	−0.0020 (18)	−0.028 (2)
C29B	0.061 (2)	0.077 (3)	0.057 (2)	0.001 (2)	0.0023 (18)	−0.0060 (19)
C30B	0.070 (2)	0.096 (3)	0.066 (2)	0.006 (2)	−0.0061 (19)	0.014 (2)
C31B	0.112 (4)	0.166 (6)	0.163 (6)	−0.012 (5)	−0.056 (4)	0.016 (5)
C32B	0.118 (5)	0.116 (5)	0.219 (7)	0.025 (4)	0.001 (5)	0.017 (5)
C33B	0.078 (3)	0.099 (3)	0.094 (3)	0.026 (2)	0.009 (2)	−0.022 (3)
C1C	0.097 (5)	0.118 (5)	0.116 (5)	0.057 (4)	−0.006 (4)	−0.017 (4)
C2C	0.064 (3)	0.098 (4)	0.085 (4)	0.028 (3)	0.006 (3)	−0.002 (3)
C3C	0.056 (3)	0.087 (3)	0.047 (2)	−0.005 (2)	−0.005 (2)	0.005 (2)
C4C	0.059 (3)	0.074 (3)	0.0365 (18)	0.016 (2)	−0.0043 (18)	0.0018 (19)
C5C	0.069 (4)	0.118 (5)	0.075 (3)	0.022 (3)	−0.014 (3)	−0.019 (3)
C6C	0.130 (6)	0.092 (4)	0.100 (4)	0.019 (4)	−0.035 (4)	−0.042 (4)
N7C	0.058 (2)	0.076 (2)	0.0378 (17)	0.0078 (19)	0.0000 (16)	−0.0018 (16)
C8C	0.065 (3)	0.085 (3)	0.045 (2)	0.004 (3)	0.006 (2)	−0.006 (2)
C9C	0.070 (3)	0.069 (3)	0.0355 (18)	0.010 (2)	−0.0047 (19)	−0.0037 (18)
C10C	0.043 (2)	0.079 (3)	0.0363 (18)	0.005 (2)	−0.0098 (16)	−0.012 (2)
C11C	0.042 (2)	0.079 (3)	0.042 (2)	−0.001 (2)	−0.0033 (18)	−0.004 (2)
O12C	0.099 (3)	0.100 (3)	0.0607 (19)	0.013 (2)	0.039 (2)	−0.0052 (18)
O13C	0.063 (2)	0.079 (2)	0.0639 (19)	0.0050 (19)	0.0095 (17)	0.0065 (17)
C14C	0.041 (2)	0.080 (3)	0.0361 (18)	0.0033 (19)	−0.0072 (15)	−0.0047 (18)
C15C	0.044 (2)	0.081 (3)	0.0383 (19)	0.000 (2)	−0.0074 (16)	−0.0076 (18)
C16C	0.0349 (17)	0.096 (3)	0.051 (2)	0.0017 (19)	0.0006 (16)	−0.014 (2)
C17C	0.0401 (19)	0.076 (3)	0.062 (2)	−0.0027 (18)	0.0058 (17)	−0.008 (2)
C18C	0.070 (3)	0.134 (5)	0.071 (3)	−0.030 (3)	0.020 (2)	−0.006 (3)
C19C	0.104 (4)	0.156 (6)	0.094 (4)	−0.049 (4)	0.026 (3)	−0.026 (4)
C20C	0.0447 (19)	0.059 (2)	0.0407 (17)	−0.0003 (16)	−0.0048 (14)	−0.0160 (15)
O21C	0.0453 (13)	0.0703 (16)	0.0411 (12)	−0.0078 (12)	0.0010 (10)	−0.0103 (12)
C22C	0.0405 (19)	0.069 (2)	0.0392 (18)	−0.0046 (17)	−0.0001 (15)	−0.0100 (16)
O23C	0.0478 (17)	0.099 (3)	0.0399 (15)	−0.0067 (17)	0.0005 (14)	−0.0189 (16)
O24C	0.0488 (15)	0.089 (2)	0.0565 (15)	−0.0035 (15)	−0.0076 (12)	−0.0177 (14)
C25C	0.055 (2)	0.054 (2)	0.0391 (17)	0.0013 (16)	−0.0035 (15)	−0.0077 (14)
C26C	0.055 (2)	0.070 (2)	0.0452 (18)	0.0092 (17)	0.0038 (16)	−0.0074 (16)
C27C	0.070 (2)	0.063 (2)	0.0455 (17)	0.0125 (18)	0.0033 (16)	−0.0110 (15)
C28C	0.0459 (16)	0.083 (2)	0.0354 (14)	0.0102 (17)	−0.0019 (12)	0.0007 (15)
C29C	0.052 (2)	0.069 (2)	0.0385 (16)	−0.0062 (17)	0.0029 (15)	0.0021 (15)
C30C	0.074 (2)	0.067 (2)	0.0401 (17)	0.0145 (19)	0.0019 (15)	−0.0032 (16)
C31C	0.120 (4)	0.069 (3)	0.115 (4)	0.000 (3)	0.001 (3)	0.012 (3)
C32C	0.134 (4)	0.108 (4)	0.087 (3)	0.019 (4)	−0.054 (3)	0.017 (3)
C33C	0.085 (3)	0.090 (3)	0.056 (2)	0.018 (2)	0.006 (2)	0.007 (2)
C1D	0.110 (5)	0.091 (4)	0.057 (3)	−0.031 (4)	−0.003 (3)	0.004 (3)
C2D	0.065 (3)	0.106 (4)	0.062 (3)	−0.018 (3)	−0.009 (2)	0.017 (3)
C3D	0.057 (3)	0.092 (3)	0.058 (2)	−0.011 (3)	−0.013 (2)	0.003 (3)
C4D	0.063 (3)	0.082 (3)	0.0395 (19)	−0.006 (2)	−0.007 (2)	−0.005 (2)
C5D	0.084 (4)	0.073 (3)	0.065 (3)	−0.015 (3)	0.025 (3)	−0.012 (2)
C6D	0.097 (4)	0.088 (4)	0.086 (4)	−0.019 (3)	0.007 (3)	−0.017 (3)
N7D	0.052 (2)	0.079 (2)	0.0407 (17)	−0.0107 (19)	−0.0061 (16)	−0.0082 (17)
C8D	0.054 (2)	0.077 (3)	0.0361 (18)	−0.006 (2)	0.0003 (18)	−0.0071 (19)
C9D	0.045 (2)	0.072 (3)	0.043 (2)	0.002 (2)	−0.0051 (17)	−0.0047 (19)
C10D	0.054 (2)	0.082 (3)	0.040 (2)	0.004 (2)	0.0002 (19)	0.007 (2)
C11D	0.069 (3)	0.087 (3)	0.0338 (18)	−0.007 (3)	−0.0117 (19)	0.003 (2)
O12D	0.064 (2)	0.077 (2)	0.090 (3)	0.0093 (19)	−0.017 (2)	0.001 (2)
O13D	0.099 (3)	0.095 (3)	0.095 (3)	−0.007 (2)	−0.056 (3)	0.013 (2)
C14D	0.047 (2)	0.076 (3)	0.039 (2)	0.008 (2)	−0.0076 (17)	−0.0118 (19)
C15D	0.049 (2)	0.087 (3)	0.049 (2)	0.003 (2)	−0.0098 (19)	−0.007 (2)
C16D	0.054 (3)	0.151 (5)	0.060 (3)	0.027 (3)	−0.006 (2)	−0.031 (3)
C17D	0.069 (3)	0.091 (3)	0.066 (3)	0.016 (3)	−0.015 (2)	−0.010 (2)
C18D	0.114 (5)	0.150 (6)	0.083 (4)	0.064 (5)	−0.033 (3)	−0.032 (4)
C19D	0.235 (11)	0.223 (10)	0.164 (8)	0.165 (10)	−0.114 (8)	−0.075 (7)
C20D	0.053 (2)	0.089 (3)	0.050 (2)	0.006 (2)	−0.0062 (18)	−0.008 (2)
O21D	0.0678 (19)	0.112 (3)	0.0563 (18)	0.0285 (18)	−0.0182 (15)	−0.0298 (18)
C22D	0.058 (3)	0.093 (3)	0.053 (2)	0.012 (2)	−0.008 (2)	−0.029 (2)
O23D	0.0453 (17)	0.096 (2)	0.0503 (17)	0.0108 (17)	0.0014 (14)	−0.0164 (17)
O24D	0.0514 (16)	0.120 (3)	0.0631 (18)	0.0218 (17)	−0.0014 (14)	−0.0276 (19)
C25D	0.090 (3)	0.121 (4)	0.047 (2)	0.037 (3)	−0.011 (2)	−0.028 (3)
C26D	0.132 (7)	0.234 (11)	0.060 (3)	0.055 (7)	−0.032 (4)	−0.059 (6)
C27D	0.093 (5)	0.39 (2)	0.145 (8)	−0.033 (8)	−0.001 (5)	−0.164 (12)
C28D	0.152 (7)	0.267 (11)	0.163 (7)	−0.102 (7)	0.050 (5)	−0.146 (8)
C29D	0.110 (5)	0.113 (4)	0.084 (4)	−0.028 (4)	0.031 (3)	−0.037 (3)
C30D	0.216 (8)	0.127 (5)	0.076 (4)	0.044 (5)	0.030 (5)	−0.003 (4)
C31D	0.247 (10)	0.192 (8)	0.124 (6)	−0.001 (8)	0.053 (7)	−0.019 (6)
C32D	0.241 (9)	0.166 (7)	0.155 (6)	0.032 (7)	0.008 (7)	0.015 (6)
C33D	0.195 (8)	0.280 (11)	0.198 (8)	−0.123 (8)	0.071 (7)	−0.137 (8)

Geometric parameters (Å, º)

C1A—C6A	1.347 (11)	C1C—C6C	1.329 (12)
C1A—C2A	1.391 (11)	C1C—C2C	1.354 (12)
C1A—H1A	0.9300	C1C—H1C	0.9300
C2A—C3A	1.343 (10)	C2C—C3C	1.398 (9)
C2A—H2A	0.9300	C2C—H2C	0.9300
C3A—C4A	1.426 (9)	C3C—C4C	1.399 (7)
C3A—H3A	0.9300	C3C—H3C	0.9300
C4A—C5A	1.347 (8)	C4C—C5C	1.326 (9)
C4A—N7A	1.436 (7)	C4C—N7C	1.417 (6)
C5A—C6A	1.387 (9)	C5C—C6C	1.437 (10)
C5A—H5A	0.9300	C5C—H5C	0.9300
C6A—H6A	0.9300	C6C—H6C	0.9300
N7A—C11A	1.379 (7)	N7C—C11C	1.389 (6)
N7A—C8A	1.390 (6)	N7C—C8C	1.392 (7)
C8A—O12A	1.157 (6)	C8C—O12C	1.187 (7)
C8A—C9A	1.551 (7)	C8C—C9C	1.538 (7)
C9A—C14A	1.507 (6)	C9C—C10C	1.480 (7)
C9A—C10A	1.594 (7)	C9C—C17C	1.550 (7)
C9A—H9A	0.9800	C9C—H9C	0.9800
C10A—C11A	1.512 (7)	C10C—C11C	1.501 (7)
C10A—C17A	1.520 (8)	C10C—C14C	1.532 (5)
C10A—H10A	0.9800	C10C—H10C	0.9800
C11A—O13A	1.213 (6)	C11C—O13C	1.220 (6)
C14A—C15A	1.291 (7)	C14C—C15C	1.364 (6)
C14A—C20A	1.487 (6)	C14C—C20C	1.414 (6)
C15A—O23A	1.356 (5)	C15C—O23C	1.353 (5)
C15A—C16A	1.476 (7)	C15C—C16C	1.504 (6)
C16A—C17A	1.553 (9)	C16C—C17C	1.517 (6)
C16A—H16A	0.9700	C16C—H16E	0.9700
C16A—H16B	0.9700	C16C—H16F	0.9700
C17A—C18A	1.528 (8)	C17C—C18C	1.532 (7)
C17A—H17A	0.9800	C17C—H17C	0.9800
C18A—C19A	1.499 (12)	C18C—C19C	1.456 (10)
C18A—H18A	0.9700	C18C—H18E	0.9700
C18A—H18B	0.9700	C18C—H18F	0.9700
C19A—H19A	0.9600	C19C—H19G	0.9600
C19A—H19B	0.9600	C19C—H19H	0.9600
C19A—H19C	0.9600	C19C—H19I	0.9600
C20A—O24A	1.166 (6)	C20C—O24C	1.229 (5)
C20A—O21A	1.377 (5)	C20C—O21C	1.383 (5)
O21A—C22A	1.400 (6)	O21C—C22C	1.459 (5)
C22A—O23A	1.439 (6)	C22C—O23C	1.450 (6)
C22A—C29A	1.523 (9)	C22C—C29C	1.490 (6)
C22A—C25A	1.530 (7)	C22C—C25C	1.542 (5)
C25A—C30A	1.452 (12)	C25C—C26C	1.483 (6)
C25A—C26A	1.536 (9)	C25C—C30C	1.586 (6)
C25A—H25A	0.9800	C25C—H25C	0.9800
C26A—C27A	1.431 (16)	C26C—C27C	1.513 (6)
C26A—H26A	0.9700	C26C—H26E	0.9700
C26A—H26B	0.9700	C26C—H26F	0.9700
C27A—C28A	1.540 (13)	C27C—C28C	1.527 (4)
C27A—H27A	0.9700	C27C—H27E	0.9700
C27A—H27B	0.9700	C27C—H27F	0.9700
C28A—C29A	1.483 (10)	C28C—C33C	1.513 (6)
C28A—C33A	1.565 (12)	C28C—C29C	1.539 (5)
C28A—H28A	0.9800	C28C—H28C	0.9800
C29A—H29A	0.9700	C29C—H29E	0.9700
C29A—H29B	0.9700	C29C—H29F	0.9700
C30A—C31A	1.533 (11)	C30C—C31C	1.505 (7)
C30A—C32A	1.593 (13)	C30C—C32C	1.535 (6)
C30A—H30A	0.9800	C30C—H30C	0.9800
C31A—H31A	0.9600	C31C—H31G	0.9600
C31A—H31B	0.9600	C31C—H31H	0.9600
C31A—H31C	0.9600	C31C—H31I	0.9600
C32A—H32A	0.9600	C32C—H32G	0.9600
C32A—H32B	0.9600	C32C—H32H	0.9600
C32A—H32C	0.9600	C32C—H32I	0.9600
C33A—H33A	0.9600	C33C—H33G	0.9600
C33A—H33B	0.9600	C33C—H33H	0.9600
C33A—H33C	0.9600	C33C—H33I	0.9600
C1B—C2B	1.311 (10)	C1D—C6D	1.369 (10)
C1B—C6B	1.355 (11)	C1D—C2D	1.427 (11)
C1B—H1B	0.9300	C1D—H1D	0.9300
C2B—C3B	1.375 (8)	C2D—C3D	1.351 (9)
C2B—H2B	0.9300	C2D—H2D	0.9300
C3B—C4B	1.405 (7)	C3D—C4D	1.371 (8)
C3B—H3B	0.9300	C3D—H3D	0.9300
C4B—C5B	1.304 (8)	C4D—C5D	1.420 (8)
C4B—N7B	1.426 (6)	C4D—N7D	1.444 (7)
C5B—C6B	1.440 (10)	C5D—C6D	1.348 (9)
C5B—H5B	0.9300	C5D—H5D	0.9300
C6B—H6B	0.9300	C6D—H6D	0.9300
N7B—C11B	1.381 (7)	N7D—C11D	1.369 (7)
N7B—C8B	1.391 (7)	N7D—C8D	1.420 (6)
C8B—O12B	1.229 (6)	C8D—O12D	1.160 (6)
C8B—C9B	1.484 (8)	C8D—C9D	1.527 (7)
C9B—C10B	1.489 (7)	C9D—C14D	1.512 (6)
C9B—C14B	1.526 (6)	C9D—C10D	1.601 (7)
C9B—H9B	0.9800	C9D—H9D	0.9800
C10B—C11B	1.547 (7)	C10D—C11D	1.459 (8)
C10B—C17B	1.571 (6)	C10D—C17D	1.514 (8)
C10B—H10B	0.9800	C10D—H10D	0.9800
C11B—O13B	1.199 (6)	C11D—O13D	1.234 (6)
C14B—C15B	1.387 (6)	C14D—C15D	1.294 (7)
C14B—C20B	1.406 (7)	C14D—C20D	1.503 (6)
C15B—O23B	1.343 (5)	C15D—O23D	1.359 (5)
C15B—C16B	1.481 (6)	C15D—C16D	1.469 (7)
C16B—C17B	1.542 (6)	C16D—C17D	1.548 (9)
C16B—H16C	0.9700	C16D—H16G	0.9700
C16B—H16D	0.9700	C16D—H16H	0.9700
C17B—C18B	1.508 (7)	C17D—C18D	1.574 (8)
C17B—H17B	0.9800	C17D—H17D	0.9800
C18B—C19B	1.539 (9)	C18D—C19D	1.470 (12)
C18B—H18C	0.9700	C18D—H18G	0.9700
C18B—H18D	0.9700	C18D—H18H	0.9700
C19B—H19D	0.9600	C19D—H19J	0.9600
C19B—H19E	0.9600	C19D—H19K	0.9600
C19B—H19F	0.9600	C19D—H19L	0.9600
C20B—O24B	1.223 (5)	C20D—O24D	1.169 (6)
C20B—O21B	1.363 (5)	C20D—O21D	1.357 (6)
O21B—C22B	1.452 (6)	O21D—C22D	1.391 (6)
C22B—O23B	1.454 (6)	C22D—O23D	1.459 (6)
C22B—C29B	1.496 (7)	C22D—C29D	1.509 (9)
C22B—C25B	1.526 (6)	C22D—C25D	1.511 (7)
C25B—C30B	1.537 (8)	C25D—C30D	1.456 (12)
C25B—C26B	1.552 (6)	C25D—C26D	1.586 (10)
C25B—H25B	0.9800	C25D—H25D	0.9800
C26B—C27B	1.539 (8)	C26D—C27D	1.428 (16)
C26B—H26C	0.9700	C26D—H26G	0.9700
C26B—H26D	0.9700	C26D—H26H	0.9700
C27B—C28B	1.566 (6)	C27D—C28D	1.496 (15)
C27B—H27C	0.9700	C27D—H27G	0.9700
C27B—H27D	0.9700	C27D—H27H	0.9700
C28B—C29B	1.503 (6)	C28D—C29D	1.489 (11)
C28B—C33B	1.527 (6)	C28D—C33D	1.539 (12)
C28B—H28B	0.9800	C28D—H28D	0.9800
C29B—H29C	0.9700	C29D—H29G	0.9700
C29B—H29D	0.9700	C29D—H29H	0.9700
C30B—C32B	1.367 (9)	C30D—C31D	1.472 (11)
C30B—C31B	1.585 (9)	C30D—C32D	1.610 (12)
C30B—H30B	0.9800	C30D—H30D	0.9800
C31B—H31D	0.9600	C31D—H31J	0.9600
C31B—H31E	0.9600	C31D—H31K	0.9600
C31B—H31F	0.9600	C31D—H31L	0.9600
C32B—H32D	0.9600	C32D—H32J	0.9600
C32B—H32E	0.9600	C32D—H32K	0.9600
C32B—H32F	0.9600	C32D—H32L	0.9600
C33B—H33D	0.9600	C33D—H33J	0.9600
C33B—H33E	0.9600	C33D—H33K	0.9600
C33B—H33F	0.9600	C33D—H33L	0.9600
C6A—C1A—C2A	121.0 (7)	C6C—C1C—C2C	120.1 (7)
C6A—C1A—H1A	119.5	C6C—C1C—H1C	120.0
C2A—C1A—H1A	119.5	C2C—C1C—H1C	120.0
C3A—C2A—C1A	119.7 (8)	C1C—C2C—C3C	121.3 (6)
C3A—C2A—H2A	120.1	C1C—C2C—H2C	119.3
C1A—C2A—H2A	120.1	C3C—C2C—H2C	119.3
C2A—C3A—C4A	119.6 (7)	C2C—C3C—C4C	117.6 (5)
C2A—C3A—H3A	120.2	C2C—C3C—H3C	121.2
C4A—C3A—H3A	120.2	C4C—C3C—H3C	121.2
C5A—C4A—C3A	119.3 (6)	C5C—C4C—C3C	121.6 (5)
C5A—C4A—N7A	121.6 (5)	C5C—C4C—N7C	120.3 (5)
C3A—C4A—N7A	119.1 (5)	C3C—C4C—N7C	118.1 (5)
C4A—C5A—C6A	120.6 (6)	C4C—C5C—C6C	118.6 (6)
C4A—C5A—H5A	119.7	C4C—C5C—H5C	120.7
C6A—C5A—H5A	119.7	C6C—C5C—H5C	120.7
C1A—C6A—C5A	119.6 (6)	C1C—C6C—C5C	120.8 (7)
C1A—C6A—H6A	120.2	C1C—C6C—H6C	119.6
C5A—C6A—H6A	120.2	C5C—C6C—H6C	119.6
C11A—N7A—C8A	114.4 (4)	C11C—N7C—C8C	111.7 (4)
C11A—N7A—C4A	122.4 (4)	C11C—N7C—C4C	126.6 (4)
C8A—N7A—C4A	122.9 (4)	C8C—N7C—C4C	121.5 (4)
O12A—C8A—N7A	127.5 (5)	O12C—C8C—N7C	123.2 (5)
O12A—C8A—C9A	125.4 (4)	O12C—C8C—C9C	129.1 (5)
N7A—C8A—C9A	107.1 (4)	N7C—C8C—C9C	107.7 (4)
C14A—C9A—C8A	110.6 (4)	C10C—C9C—C8C	104.4 (4)
C14A—C9A—C10A	112.5 (4)	C10C—C9C—C17C	115.1 (3)
C8A—C9A—C10A	104.7 (4)	C8C—C9C—C17C	111.4 (4)
C14A—C9A—H9A	109.6	C10C—C9C—H9C	108.6
C8A—C9A—H9A	109.6	C8C—C9C—H9C	108.6
C10A—C9A—H9A	109.6	C17C—C9C—H9C	108.6
C11A—C10A—C17A	115.0 (4)	C9C—C10C—C11C	106.5 (4)
C11A—C10A—C9A	102.8 (4)	C9C—C10C—C14C	117.5 (4)
C17A—C10A—C9A	114.3 (4)	C11C—C10C—C14C	108.6 (4)
C11A—C10A—H10A	108.2	C9C—C10C—H10C	107.9
C17A—C10A—H10A	108.2	C11C—C10C—H10C	107.9
C9A—C10A—H10A	108.2	C14C—C10C—H10C	107.9
O13A—C11A—N7A	123.5 (5)	O13C—C11C—N7C	121.6 (5)
O13A—C11A—C10A	126.1 (5)	O13C—C11C—C10C	129.9 (4)
N7A—C11A—C10A	110.4 (4)	N7C—C11C—C10C	108.5 (4)
C15A—C14A—C20A	119.6 (4)	C15C—C14C—C20C	120.4 (4)
C15A—C14A—C9A	123.7 (4)	C15C—C14C—C10C	116.7 (4)
C20A—C14A—C9A	116.6 (4)	C20C—C14C—C10C	122.7 (4)
C14A—C15A—O23A	125.0 (4)	O23C—C15C—C14C	122.1 (4)
C14A—C15A—C16A	121.6 (4)	O23C—C15C—C16C	115.7 (4)
O23A—C15A—C16A	113.3 (4)	C14C—C15C—C16C	121.9 (4)
C15A—C16A—C17A	107.2 (5)	C15C—C16C—C17C	108.9 (4)
C15A—C16A—H16A	110.3	C15C—C16C—H16E	109.9
C17A—C16A—H16A	110.3	C17C—C16C—H16E	109.9
C15A—C16A—H16B	110.3	C15C—C16C—H16F	109.9
C17A—C16A—H16B	110.3	C17C—C16C—H16F	109.9
H16A—C16A—H16B	108.5	H16E—C16C—H16F	108.3
C10A—C17A—C18A	110.9 (4)	C16C—C17C—C18C	111.5 (4)
C10A—C17A—C16A	110.4 (5)	C16C—C17C—C9C	111.0 (4)
C18A—C17A—C16A	112.8 (5)	C18C—C17C—C9C	114.3 (4)
C10A—C17A—H17A	107.5	C16C—C17C—H17C	106.5
C18A—C17A—H17A	107.5	C18C—C17C—H17C	106.5
C16A—C17A—H17A	107.5	C9C—C17C—H17C	106.5
C19A—C18A—C17A	113.3 (6)	C19C—C18C—C17C	115.4 (5)
C19A—C18A—H18A	108.9	C19C—C18C—H18E	108.4
C17A—C18A—H18A	108.9	C17C—C18C—H18E	108.4
C19A—C18A—H18B	108.9	C19C—C18C—H18F	108.4
C17A—C18A—H18B	108.9	C17C—C18C—H18F	108.4
H18A—C18A—H18B	107.7	H18E—C18C—H18F	107.5
C18A—C19A—H19A	109.5	C18C—C19C—H19G	109.5
C18A—C19A—H19B	109.5	C18C—C19C—H19H	109.5
H19A—C19A—H19B	109.5	H19G—C19C—H19H	109.5
C18A—C19A—H19C	109.5	C18C—C19C—H19I	109.5
H19A—C19A—H19C	109.5	H19G—C19C—H19I	109.5
H19B—C19A—H19C	109.5	H19H—C19C—H19I	109.5
O24A—C20A—O21A	120.7 (4)	O24C—C20C—O21C	116.7 (4)
O24A—C20A—C14A	126.4 (4)	O24C—C20C—C14C	127.2 (4)
O21A—C20A—C14A	112.9 (4)	O21C—C20C—C14C	115.9 (3)
C20A—O21A—C22A	120.3 (4)	C20C—O21C—C22C	116.5 (3)
O21A—C22A—O23A	111.5 (4)	O23C—C22C—O21C	109.6 (3)
O21A—C22A—C29A	110.3 (5)	O23C—C22C—C29C	109.8 (4)
O23A—C22A—C29A	107.2 (5)	O21C—C22C—C29C	111.3 (3)
O21A—C22A—C25A	109.4 (5)	O23C—C22C—C25C	107.1 (3)
O23A—C22A—C25A	106.0 (4)	O21C—C22C—C25C	106.3 (3)
C29A—C22A—C25A	112.4 (5)	C29C—C22C—C25C	112.5 (3)
C15A—O23A—C22A	115.1 (4)	C15C—O23C—C22C	116.0 (3)
C30A—C25A—C22A	115.0 (5)	C26C—C25C—C22C	111.1 (3)
C30A—C25A—C26A	117.5 (7)	C26C—C25C—C30C	114.5 (4)
C22A—C25A—C26A	106.6 (5)	C22C—C25C—C30C	114.0 (3)
C30A—C25A—H25A	105.6	C26C—C25C—H25C	105.4
C22A—C25A—H25A	105.6	C22C—C25C—H25C	105.4
C26A—C25A—H25A	105.6	C30C—C25C—H25C	105.4
C27A—C26A—C25A	113.9 (8)	C25C—C26C—C27C	113.0 (4)
C27A—C26A—H26A	108.8	C25C—C26C—H26E	109.0
C25A—C26A—H26A	108.8	C27C—C26C—H26E	109.0
C27A—C26A—H26B	108.8	C25C—C26C—H26F	109.0
C25A—C26A—H26B	108.8	C27C—C26C—H26F	109.0
H26A—C26A—H26B	107.7	H26E—C26C—H26F	107.8
C26A—C27A—C28A	114.5 (7)	C26C—C27C—C28C	112.0 (3)
C26A—C27A—H27A	108.6	C26C—C27C—H27E	109.2
C28A—C27A—H27A	108.6	C28C—C27C—H27E	109.2
C26A—C27A—H27B	108.6	C26C—C27C—H27F	109.2
C28A—C27A—H27B	108.6	C28C—C27C—H27F	109.2
H27A—C27A—H27B	107.6	H27E—C27C—H27F	107.9
C29A—C28A—C27A	108.2 (6)	C33C—C28C—C27C	110.8 (3)
C29A—C28A—C33A	110.7 (10)	C33C—C28C—C29C	110.3 (3)
C27A—C28A—C33A	116.2 (8)	C27C—C28C—C29C	110.2 (3)
C29A—C28A—H28A	107.1	C33C—C28C—H28C	108.5
C27A—C28A—H28A	107.1	C27C—C28C—H28C	108.5
C33A—C28A—H28A	107.1	C29C—C28C—H28C	108.5
C28A—C29A—C22A	113.7 (7)	C22C—C29C—C28C	111.4 (3)
C28A—C29A—H29A	108.8	C22C—C29C—H29E	109.3
C22A—C29A—H29A	108.8	C28C—C29C—H29E	109.3
C28A—C29A—H29B	108.8	C22C—C29C—H29F	109.3
C22A—C29A—H29B	108.8	C28C—C29C—H29F	109.3
H29A—C29A—H29B	107.7	H29E—C29C—H29F	108.0
C25A—C30A—C31A	112.7 (8)	C31C—C30C—C32C	111.7 (4)
C25A—C30A—C32A	108.2 (9)	C31C—C30C—C25C	113.5 (4)
C31A—C30A—C32A	101.4 (8)	C32C—C30C—C25C	108.9 (4)
C25A—C30A—H30A	111.4	C31C—C30C—H30C	107.5
C31A—C30A—H30A	111.4	C32C—C30C—H30C	107.5
C32A—C30A—H30A	111.4	C25C—C30C—H30C	107.5
C30A—C31A—H31A	109.5	C30C—C31C—H31G	109.5
C30A—C31A—H31B	109.5	C30C—C31C—H31H	109.5
H31A—C31A—H31B	109.5	H31G—C31C—H31H	109.5
C30A—C31A—H31C	109.5	C30C—C31C—H31I	109.5
H31A—C31A—H31C	109.5	H31G—C31C—H31I	109.5
H31B—C31A—H31C	109.5	H31H—C31C—H31I	109.5
C30A—C32A—H32A	109.5	C30C—C32C—H32G	109.5
C30A—C32A—H32B	109.5	C30C—C32C—H32H	109.5
H32A—C32A—H32B	109.5	H32G—C32C—H32H	109.5
C30A—C32A—H32C	109.5	C30C—C32C—H32I	109.5
H32A—C32A—H32C	109.5	H32G—C32C—H32I	109.5
H32B—C32A—H32C	109.5	H32H—C32C—H32I	109.5
C28A—C33A—H33A	109.5	C28C—C33C—H33G	109.5
C28A—C33A—H33B	109.5	C28C—C33C—H33H	109.5
H33A—C33A—H33B	109.5	H33G—C33C—H33H	109.5
C28A—C33A—H33C	109.5	C28C—C33C—H33I	109.5
H33A—C33A—H33C	109.5	H33G—C33C—H33I	109.5
H33B—C33A—H33C	109.5	H33H—C33C—H33I	109.5
C2B—C1B—C6B	120.7 (6)	C6D—C1D—C2D	120.5 (6)
C2B—C1B—H1B	119.7	C6D—C1D—H1D	119.7
C6B—C1B—H1B	119.7	C2D—C1D—H1D	119.7
C1B—C2B—C3B	121.5 (5)	C3D—C2D—C1D	118.6 (6)
C1B—C2B—H2B	119.3	C3D—C2D—H2D	120.7
C3B—C2B—H2B	119.3	C1D—C2D—H2D	120.7
C2B—C3B—C4B	118.0 (5)	C2D—C3D—C4D	120.6 (6)
C2B—C3B—H3B	121.0	C2D—C3D—H3D	119.7
C4B—C3B—H3B	121.0	C4D—C3D—H3D	119.7
C5B—C4B—C3B	122.3 (5)	C3D—C4D—C5D	120.8 (6)
C5B—C4B—N7B	118.9 (5)	C3D—C4D—N7D	119.5 (5)
C3B—C4B—N7B	118.8 (4)	C5D—C4D—N7D	119.6 (5)
C4B—C5B—C6B	117.4 (6)	C6D—C5D—C4D	118.6 (6)
C4B—C5B—H5B	121.3	C6D—C5D—H5D	120.7
C6B—C5B—H5B	121.3	C4D—C5D—H5D	120.7
C1B—C6B—C5B	120.1 (6)	C5D—C6D—C1D	120.9 (7)
C1B—C6B—H6B	119.9	C5D—C6D—H6D	119.6
C5B—C6B—H6B	119.9	C1D—C6D—H6D	119.6
C11B—N7B—C8B	111.3 (4)	C11D—N7D—C8D	113.3 (4)
C11B—N7B—C4B	122.7 (4)	C11D—N7D—C4D	124.8 (4)
C8B—N7B—C4B	125.7 (4)	C8D—N7D—C4D	121.6 (4)
O12B—C8B—N7B	120.8 (5)	O12D—C8D—N7D	127.3 (5)
O12B—C8B—C9B	129.1 (4)	O12D—C8D—C9D	125.9 (4)
N7B—C8B—C9B	110.2 (4)	N7D—C8D—C9D	106.8 (4)
C8B—C9B—C10B	105.6 (4)	C14D—C9D—C8D	110.7 (4)
C8B—C9B—C14B	109.1 (4)	C14D—C9D—C10D	113.4 (4)
C10B—C9B—C14B	118.1 (4)	C8D—C9D—C10D	104.0 (4)
C8B—C9B—H9B	107.9	C14D—C9D—H9D	109.5
C10B—C9B—H9B	107.9	C8D—C9D—H9D	109.5
C14B—C9B—H9B	107.9	C10D—C9D—H9D	109.5
C9B—C10B—C11B	105.0 (4)	C11D—C10D—C17D	115.8 (5)
C9B—C10B—C17B	116.0 (4)	C11D—C10D—C9D	104.2 (4)
C11B—C10B—C17B	112.5 (4)	C17D—C10D—C9D	112.2 (4)
C9B—C10B—H10B	107.7	C11D—C10D—H10D	108.1
C11B—C10B—H10B	107.7	C17D—C10D—H10D	108.1
C17B—C10B—H10B	107.7	C9D—C10D—H10D	108.1
O13B—C11B—N7B	124.7 (5)	O13D—C11D—N7D	121.5 (5)
O13B—C11B—C10B	127.4 (5)	O13D—C11D—C10D	127.3 (5)
N7B—C11B—C10B	107.9 (4)	N7D—C11D—C10D	111.2 (4)
C15B—C14B—C20B	119.5 (4)	C15D—C14D—C20D	120.1 (4)
C15B—C14B—C9B	117.7 (4)	C15D—C14D—C9D	123.3 (4)
C20B—C14B—C9B	122.3 (4)	C20D—C14D—C9D	116.4 (4)
O23B—C15B—C14B	122.3 (4)	C14D—C15D—O23D	123.3 (4)
O23B—C15B—C16B	114.1 (4)	C14D—C15D—C16D	121.8 (4)
C14B—C15B—C16B	123.5 (4)	O23D—C15D—C16D	114.8 (4)
C15B—C16B—C17B	110.8 (3)	C15D—C16D—C17D	107.4 (5)
C15B—C16B—H16C	109.5	C15D—C16D—H16G	110.2
C17B—C16B—H16C	109.5	C17D—C16D—H16G	110.2
C15B—C16B—H16D	109.5	C15D—C16D—H16H	110.2
C17B—C16B—H16D	109.5	C17D—C16D—H16H	110.2
H16C—C16B—H16D	108.1	H16G—C16D—H16H	108.5
C18B—C17B—C16B	113.1 (4)	C10D—C17D—C16D	111.8 (5)
C18B—C17B—C10B	115.0 (4)	C10D—C17D—C18D	110.3 (4)
C16B—C17B—C10B	110.0 (4)	C16D—C17D—C18D	112.7 (5)
C18B—C17B—H17B	106.0	C10D—C17D—H17D	107.3
C16B—C17B—H17B	106.0	C16D—C17D—H17D	107.3
C10B—C17B—H17B	106.0	C18D—C17D—H17D	107.3
C17B—C18B—C19B	112.9 (5)	C19D—C18D—C17D	113.8 (6)
C17B—C18B—H18C	109.0	C19D—C18D—H18G	108.8
C19B—C18B—H18C	109.0	C17D—C18D—H18G	108.8
C17B—C18B—H18D	109.0	C19D—C18D—H18H	108.8
C19B—C18B—H18D	109.0	C17D—C18D—H18H	108.8
H18C—C18B—H18D	107.8	H18G—C18D—H18H	107.7
C18B—C19B—H19D	109.5	C18D—C19D—H19J	109.5
C18B—C19B—H19E	109.5	C18D—C19D—H19K	109.5
H19D—C19B—H19E	109.5	H19J—C19D—H19K	109.5
C18B—C19B—H19F	109.5	C18D—C19D—H19L	109.5
H19D—C19B—H19F	109.5	H19J—C19D—H19L	109.5
H19E—C19B—H19F	109.5	H19K—C19D—H19L	109.5
O24B—C20B—O21B	116.8 (4)	O24D—C20D—O21D	121.0 (4)
O24B—C20B—C14B	126.0 (4)	O24D—C20D—C14D	126.0 (4)
O21B—C20B—C14B	117.0 (4)	O21D—C20D—C14D	112.9 (4)
C20B—O21B—C22B	117.0 (4)	C20D—O21D—C22D	121.4 (4)
O21B—C22B—O23B	111.4 (4)	O21D—C22D—O23D	110.4 (4)
O21B—C22B—C29B	109.8 (4)	O21D—C22D—C29D	109.3 (5)
O23B—C22B—C29B	109.0 (4)	O23D—C22D—C29D	107.5 (5)
O21B—C22B—C25B	107.8 (4)	O21D—C22D—C25D	110.6 (5)
O23B—C22B—C25B	107.0 (4)	O23D—C22D—C25D	106.0 (5)
C29B—C22B—C25B	111.8 (4)	C29D—C22D—C25D	113.0 (5)
C15B—O23B—C22B	117.3 (4)	C15D—O23D—C22D	116.5 (4)
C22B—C25B—C30B	114.9 (4)	C30D—C25D—C22D	115.3 (5)
C22B—C25B—C26B	108.9 (4)	C30D—C25D—C26D	118.8 (7)
C30B—C25B—C26B	111.7 (4)	C22D—C25D—C26D	104.7 (6)
C22B—C25B—H25B	107.0	C30D—C25D—H25D	105.6
C30B—C25B—H25B	107.0	C22D—C25D—H25D	105.6
C26B—C25B—H25B	107.0	C26D—C25D—H25D	105.6
C27B—C26B—C25B	111.4 (4)	C27D—C26D—C25D	114.4 (8)
C27B—C26B—H26C	109.3	C27D—C26D—H26G	108.7
C25B—C26B—H26C	109.3	C25D—C26D—H26G	108.7
C27B—C26B—H26D	109.3	C27D—C26D—H26H	108.7
C25B—C26B—H26D	109.3	C25D—C26D—H26H	108.7
H26C—C26B—H26D	108.0	H26G—C26D—H26H	107.6
C26B—C27B—C28B	110.5 (4)	C26D—C27D—C28D	114.5 (7)
C26B—C27B—H27C	109.6	C26D—C27D—H27G	108.6
C28B—C27B—H27C	109.6	C28D—C27D—H27G	108.6
C26B—C27B—H27D	109.6	C26D—C27D—H27H	108.6
C28B—C27B—H27D	109.6	C28D—C27D—H27H	108.6
H27C—C27B—H27D	108.1	H27G—C27D—H27H	107.6
C29B—C28B—C33B	112.5 (4)	C29D—C28D—C27D	108.3 (7)
C29B—C28B—C27B	107.7 (4)	C29D—C28D—C33D	113.0 (10)
C33B—C28B—C27B	109.2 (4)	C27D—C28D—C33D	117.2 (8)
C29B—C28B—H28B	109.1	C29D—C28D—H28D	105.8
C33B—C28B—H28B	109.1	C27D—C28D—H28D	105.8
C27B—C28B—H28B	109.1	C33D—C28D—H28D	105.8
C22B—C29B—C28B	115.4 (4)	C28D—C29D—C22D	115.7 (7)
C22B—C29B—H29C	108.4	C28D—C29D—H29G	108.4
C28B—C29B—H29C	108.4	C22D—C29D—H29G	108.4
C22B—C29B—H29D	108.4	C28D—C29D—H29H	108.4
C28B—C29B—H29D	108.4	C22D—C29D—H29H	108.4
H29C—C29B—H29D	107.5	H29G—C29D—H29H	107.4
C32B—C30B—C25B	121.0 (5)	C25D—C30D—C31D	112.4 (8)
C32B—C30B—C31B	105.6 (6)	C25D—C30D—C32D	107.4 (8)
C25B—C30B—C31B	105.6 (5)	C31D—C30D—C32D	97.9 (8)
C32B—C30B—H30B	108.0	C25D—C30D—H30D	112.7
C25B—C30B—H30B	108.0	C31D—C30D—H30D	112.7
C31B—C30B—H30B	108.0	C32D—C30D—H30D	112.7
C30B—C31B—H31D	109.5	C30D—C31D—H31J	109.5
C30B—C31B—H31E	109.5	C30D—C31D—H31K	109.5
H31D—C31B—H31E	109.5	H31J—C31D—H31K	109.5
C30B—C31B—H31F	109.5	C30D—C31D—H31L	109.5
H31D—C31B—H31F	109.5	H31J—C31D—H31L	109.5
H31E—C31B—H31F	109.5	H31K—C31D—H31L	109.5
C30B—C32B—H32D	109.5	C30D—C32D—H32J	109.5
C30B—C32B—H32E	109.5	C30D—C32D—H32K	109.5
H32D—C32B—H32E	109.5	H32J—C32D—H32K	109.5
C30B—C32B—H32F	109.5	C30D—C32D—H32L	109.5
H32D—C32B—H32F	109.5	H32J—C32D—H32L	109.5
H32E—C32B—H32F	109.5	H32K—C32D—H32L	109.5
C28B—C33B—H33D	109.5	C28D—C33D—H33J	109.5
C28B—C33B—H33E	109.5	C28D—C33D—H33K	109.5
H33D—C33B—H33E	109.5	H33J—C33D—H33K	109.5
C28B—C33B—H33F	109.5	C28D—C33D—H33L	109.5
H33D—C33B—H33F	109.5	H33J—C33D—H33L	109.5
H33E—C33B—H33F	109.5	H33K—C33D—H33L	109.5
C6A—C1A—C2A—C3A	−3.8 (16)	C6C—C1C—C2C—C3C	−0.2 (13)
C1A—C2A—C3A—C4A	3.2 (16)	C1C—C2C—C3C—C4C	0.5 (9)
C2A—C3A—C4A—C5A	−1.9 (12)	C2C—C3C—C4C—C5C	−1.0 (8)
C2A—C3A—C4A—N7A	177.7 (8)	C2C—C3C—C4C—N7C	178.6 (5)
C3A—C4A—C5A—C6A	0.9 (9)	C3C—C4C—C5C—C6C	1.1 (10)
N7A—C4A—C5A—C6A	−178.6 (5)	N7C—C4C—C5C—C6C	−178.4 (6)
C2A—C1A—C6A—C5A	2.8 (12)	C2C—C1C—C6C—C5C	0.4 (14)
C4A—C5A—C6A—C1A	−1.4 (9)	C4C—C5C—C6C—C1C	−0.9 (13)
C5A—C4A—N7A—C11A	64.4 (7)	C5C—C4C—N7C—C11C	57.7 (7)
C3A—C4A—N7A—C11A	−115.2 (7)	C3C—C4C—N7C—C11C	−121.9 (5)
C5A—C4A—N7A—C8A	−121.9 (6)	C5C—C4C—N7C—C8C	−117.3 (6)
C3A—C4A—N7A—C8A	58.6 (7)	C3C—C4C—N7C—C8C	63.2 (6)
C11A—N7A—C8A—O12A	175.9 (5)	C11C—N7C—C8C—O12C	−171.3 (5)
C4A—N7A—C8A—O12A	1.7 (8)	C4C—N7C—C8C—O12C	4.3 (8)
C11A—N7A—C8A—C9A	−3.8 (5)	C11C—N7C—C8C—C9C	8.7 (5)
C4A—N7A—C8A—C9A	−178.0 (4)	C4C—N7C—C8C—C9C	−175.7 (4)
O12A—C8A—C9A—C14A	57.8 (7)	O12C—C8C—C9C—C10C	169.2 (6)
N7A—C8A—C9A—C14A	−122.5 (4)	N7C—C8C—C9C—C10C	−10.9 (5)
O12A—C8A—C9A—C10A	179.2 (5)	O12C—C8C—C9C—C17C	−65.9 (7)
N7A—C8A—C9A—C10A	−1.1 (5)	N7C—C8C—C9C—C17C	114.0 (5)
C14A—C9A—C10A—C11A	125.0 (4)	C8C—C9C—C10C—C11C	8.9 (4)
C8A—C9A—C10A—C11A	4.9 (5)	C17C—C9C—C10C—C11C	−113.6 (4)
C14A—C9A—C10A—C17A	−0.3 (6)	C8C—C9C—C10C—C14C	130.9 (4)
C8A—C9A—C10A—C17A	−120.4 (5)	C17C—C9C—C10C—C14C	8.4 (6)
C8A—N7A—C11A—O13A	−170.5 (5)	C8C—N7C—C11C—O13C	177.1 (5)
C4A—N7A—C11A—O13A	3.8 (8)	C4C—N7C—C11C—O13C	1.8 (7)
C8A—N7A—C11A—C10A	7.4 (6)	C8C—N7C—C11C—C10C	−3.0 (5)
C4A—N7A—C11A—C10A	−178.4 (4)	C4C—N7C—C11C—C10C	−178.3 (4)
C17A—C10A—C11A—O13A	−64.7 (7)	C9C—C10C—C11C—O13C	175.7 (5)
C9A—C10A—C11A—O13A	170.5 (6)	C14C—C10C—C11C—O13C	48.2 (6)
C17A—C10A—C11A—N7A	117.5 (5)	C9C—C10C—C11C—N7C	−4.2 (5)
C9A—C10A—C11A—N7A	−7.3 (5)	C14C—C10C—C11C—N7C	−131.7 (4)
C8A—C9A—C14A—C15A	93.3 (6)	C9C—C10C—C14C—C15C	−31.5 (6)
C10A—C9A—C14A—C15A	−23.4 (7)	C11C—C10C—C14C—C15C	89.5 (5)
C8A—C9A—C14A—C20A	−83.1 (5)	C9C—C10C—C14C—C20C	154.1 (5)
C10A—C9A—C14A—C20A	160.1 (5)	C11C—C10C—C14C—C20C	−85.0 (5)
C20A—C14A—C15A—O23A	1.2 (9)	C20C—C14C—C15C—O23C	−5.4 (8)
C9A—C14A—C15A—O23A	−175.2 (5)	C10C—C14C—C15C—O23C	−180.0 (5)
C20A—C14A—C15A—C16A	177.2 (6)	C20C—C14C—C15C—C16C	−178.4 (5)
C9A—C14A—C15A—C16A	0.8 (9)	C10C—C14C—C15C—C16C	7.0 (7)
C14A—C15A—C16A—C17A	42.3 (9)	O23C—C15C—C16C—C17C	−135.8 (5)
O23A—C15A—C16A—C17A	−141.2 (5)	C14C—C15C—C16C—C17C	37.6 (7)
C11A—C10A—C17A—C18A	48.1 (7)	C15C—C16C—C17C—C18C	173.6 (5)
C9A—C10A—C17A—C18A	166.7 (5)	C15C—C16C—C17C—C9C	−57.8 (5)
C11A—C10A—C17A—C16A	−77.7 (5)	C10C—C9C—C17C—C16C	35.9 (6)
C9A—C10A—C17A—C16A	40.9 (6)	C8C—C9C—C17C—C16C	−82.8 (5)
C15A—C16A—C17A—C10A	−61.5 (7)	C10C—C9C—C17C—C18C	163.0 (5)
C15A—C16A—C17A—C18A	173.7 (6)	C8C—C9C—C17C—C18C	44.4 (6)
C10A—C17A—C18A—C19A	160.7 (9)	C16C—C17C—C18C—C19C	−67.7 (8)
C16A—C17A—C18A—C19A	−74.9 (10)	C9C—C17C—C18C—C19C	165.5 (6)
C15A—C14A—C20A—O24A	176.7 (6)	C15C—C14C—C20C—O24C	−176.6 (5)
C9A—C14A—C20A—O24A	−6.6 (9)	C10C—C14C—C20C—O24C	−2.3 (8)
C15A—C14A—C20A—O21A	−5.3 (8)	C15C—C14C—C20C—O21C	−1.7 (7)
C9A—C14A—C20A—O21A	171.4 (5)	C10C—C14C—C20C—O21C	172.6 (4)
O24A—C20A—O21A—C22A	−152.6 (6)	O24C—C20C—O21C—C22C	−153.8 (4)
C14A—C20A—O21A—C22A	29.3 (7)	C14C—C20C—O21C—C22C	30.8 (5)
C20A—O21A—C22A—O23A	−46.5 (7)	C20C—O21C—C22C—O23C	−50.9 (5)
C20A—O21A—C22A—C29A	72.5 (6)	C20C—O21C—C22C—C29C	70.7 (4)
C20A—O21A—C22A—C25A	−163.4 (5)	C20C—O21C—C22C—C25C	−166.4 (3)
C14A—C15A—O23A—C22A	−18.9 (8)	C14C—C15C—O23C—C22C	−17.0 (7)
C16A—C15A—O23A—C22A	164.8 (5)	C16C—C15C—O23C—C22C	156.4 (4)
O21A—C22A—O23A—C15A	39.2 (6)	O21C—C22C—O23C—C15C	43.1 (5)
C29A—C22A—O23A—C15A	−81.6 (5)	C29C—C22C—O23C—C15C	−79.5 (5)
C25A—C22A—O23A—C15A	158.2 (5)	C25C—C22C—O23C—C15C	158.0 (4)
O21A—C22A—C25A—C30A	63.2 (7)	O23C—C22C—C25C—C26C	174.4 (4)
O23A—C22A—C25A—C30A	−57.1 (7)	O21C—C22C—C25C—C26C	−68.4 (4)
C29A—C22A—C25A—C30A	−173.9 (6)	C29C—C22C—C25C—C26C	53.7 (5)
O21A—C22A—C25A—C26A	−68.9 (7)	O23C—C22C—C25C—C30C	−54.4 (5)
O23A—C22A—C25A—C26A	170.8 (6)	O21C—C22C—C25C—C30C	62.8 (4)
C29A—C22A—C25A—C26A	53.9 (8)	C29C—C22C—C25C—C30C	−175.1 (4)
C30A—C25A—C26A—C27A	174.0 (6)	C22C—C25C—C26C—C27C	−52.7 (5)
C22A—C25A—C26A—C27A	−55.3 (8)	C30C—C25C—C26C—C27C	176.3 (3)
C25A—C26A—C27A—C28A	56.9 (11)	C25C—C26C—C27C—C28C	54.3 (5)
C26A—C27A—C28A—C29A	−52.8 (13)	C26C—C27C—C28C—C33C	−176.2 (4)
C26A—C27A—C28A—C33A	−177.9 (9)	C26C—C27C—C28C—C29C	−53.8 (5)
C27A—C28A—C29A—C22A	51.8 (10)	O23C—C22C—C29C—C28C	−174.1 (3)
C33A—C28A—C29A—C22A	−179.8 (6)	O21C—C22C—C29C—C28C	64.3 (4)
O21A—C22A—C29A—C28A	65.6 (6)	C25C—C22C—C29C—C28C	−54.9 (4)
O23A—C22A—C29A—C28A	−172.9 (5)	C33C—C28C—C29C—C22C	177.4 (3)
C25A—C22A—C29A—C28A	−56.8 (7)	C27C—C28C—C29C—C22C	54.7 (5)
C22A—C25A—C30A—C31A	156.2 (8)	C26C—C25C—C30C—C31C	37.6 (5)
C26A—C25A—C30A—C31A	−77.1 (10)	C22C—C25C—C30C—C31C	−91.9 (5)
C22A—C25A—C30A—C32A	−92.5 (7)	C26C—C25C—C30C—C32C	−87.5 (5)
C26A—C25A—C30A—C32A	34.2 (8)	C22C—C25C—C30C—C32C	143.0 (4)
C6B—C1B—C2B—C3B	−2.0 (12)	C6D—C1D—C2D—C3D	0.7 (9)
C1B—C2B—C3B—C4B	−0.6 (8)	C1D—C2D—C3D—C4D	−0.8 (8)
C2B—C3B—C4B—C5B	2.4 (7)	C2D—C3D—C4D—C5D	1.1 (8)
C2B—C3B—C4B—N7B	−179.9 (4)	C2D—C3D—C4D—N7D	−178.7 (5)
C3B—C4B—C5B—C6B	−1.5 (10)	C3D—C4D—C5D—C6D	−1.4 (9)
N7B—C4B—C5B—C6B	−179.2 (6)	N7D—C4D—C5D—C6D	178.5 (5)
C2B—C1B—C6B—C5B	2.9 (13)	C4D—C5D—C6D—C1D	1.3 (11)
C4B—C5B—C6B—C1B	−1.1 (12)	C2D—C1D—C6D—C5D	−1.0 (11)
C5B—C4B—N7B—C11B	−118.8 (6)	C3D—C4D—N7D—C11D	60.9 (7)
C3B—C4B—N7B—C11B	63.4 (6)	C5D—C4D—N7D—C11D	−119.0 (6)
C5B—C4B—N7B—C8B	54.9 (7)	C3D—C4D—N7D—C8D	−126.1 (5)
C3B—C4B—N7B—C8B	−123.0 (5)	C5D—C4D—N7D—C8D	54.0 (6)
C11B—N7B—C8B—O12B	177.4 (5)	C11D—N7D—C8D—O12D	176.4 (5)
C4B—N7B—C8B—O12B	3.1 (7)	C4D—N7D—C8D—O12D	2.6 (8)
C11B—N7B—C8B—C9B	−3.5 (5)	C11D—N7D—C8D—C9D	−5.5 (5)
C4B—N7B—C8B—C9B	−177.8 (4)	C4D—N7D—C8D—C9D	−179.3 (4)
O12B—C8B—C9B—C10B	−178.4 (5)	O12D—C8D—C9D—C14D	57.1 (7)
N7B—C8B—C9B—C10B	2.6 (5)	N7D—C8D—C9D—C14D	−121.1 (4)
O12B—C8B—C9B—C14B	53.7 (7)	O12D—C8D—C9D—C10D	179.2 (5)
N7B—C8B—C9B—C14B	−125.3 (4)	N7D—C8D—C9D—C10D	1.1 (5)
C8B—C9B—C10B—C11B	−0.9 (5)	C14D—C9D—C10D—C11D	123.5 (4)
C14B—C9B—C10B—C11B	121.4 (4)	C8D—C9D—C10D—C11D	3.2 (5)
C8B—C9B—C10B—C17B	−125.8 (4)	C14D—C9D—C10D—C17D	−2.5 (6)
C14B—C9B—C10B—C17B	−3.4 (6)	C8D—C9D—C10D—C17D	−122.8 (5)
C8B—N7B—C11B—O13B	−175.2 (5)	C8D—N7D—C11D—O13D	−171.2 (5)
C4B—N7B—C11B—O13B	−0.7 (8)	C4D—N7D—C11D—O13D	2.4 (8)
C8B—N7B—C11B—C10B	2.8 (5)	C8D—N7D—C11D—C10D	8.0 (6)
C4B—N7B—C11B—C10B	177.3 (4)	C4D—N7D—C11D—C10D	−178.5 (4)
C9B—C10B—C11B—O13B	176.9 (5)	C17D—C10D—C11D—O13D	−63.8 (7)
C17B—C10B—C11B—O13B	−56.1 (7)	C9D—C10D—C11D—O13D	172.5 (6)
C9B—C10B—C11B—N7B	−1.1 (5)	C17D—C10D—C11D—N7D	117.1 (5)
C17B—C10B—C11B—N7B	126.0 (4)	C9D—C10D—C11D—N7D	−6.7 (5)
C8B—C9B—C14B—C15B	98.8 (5)	C8D—C9D—C14D—C15D	93.1 (6)
C10B—C9B—C14B—C15B	−21.7 (6)	C10D—C9D—C14D—C15D	−23.4 (7)
C8B—C9B—C14B—C20B	−72.8 (6)	C8D—C9D—C14D—C20D	−81.6 (6)
C10B—C9B—C14B—C20B	166.6 (4)	C10D—C9D—C14D—C20D	162.0 (5)
C20B—C14B—C15B—O23B	−6.4 (8)	C20D—C14D—C15D—O23D	−0.6 (9)
C9B—C14B—C15B—O23B	−178.3 (5)	C9D—C14D—C15D—O23D	−175.1 (5)
C20B—C14B—C15B—C16B	178.5 (5)	C20D—C14D—C15D—C16D	178.1 (6)
C9B—C14B—C15B—C16B	6.6 (7)	C9D—C14D—C15D—C16D	3.6 (9)
O23B—C15B—C16B—C17B	−143.3 (4)	C14D—C15D—C16D—C17D	38.9 (9)
C14B—C15B—C16B—C17B	32.2 (7)	O23D—C15D—C16D—C17D	−142.3 (5)
C15B—C16B—C17B—C18B	176.0 (4)	C11D—C10D—C17D—C16D	−76.1 (5)
C15B—C16B—C17B—C10B	−54.0 (5)	C9D—C10D—C17D—C16D	43.3 (6)
C9B—C10B—C17B—C18B	169.8 (4)	C11D—C10D—C17D—C18D	50.0 (7)
C11B—C10B—C17B—C18B	48.9 (6)	C9D—C10D—C17D—C18D	169.5 (5)
C9B—C10B—C17B—C16B	40.7 (5)	C15D—C16D—C17D—C10D	−62.0 (7)
C11B—C10B—C17B—C16B	−80.2 (5)	C15D—C16D—C17D—C18D	173.2 (6)
C16B—C17B—C18B—C19B	−77.2 (7)	C10D—C17D—C18D—C19D	159.6 (8)
C10B—C17B—C18B—C19B	155.3 (5)	C16D—C17D—C18D—C19D	−74.7 (10)
C15B—C14B—C20B—O24B	178.5 (5)	C15D—C14D—C20D—O24D	178.3 (6)
C9B—C14B—C20B—O24B	−9.9 (8)	C9D—C14D—C20D—O24D	−6.8 (9)
C15B—C14B—C20B—O21B	−5.8 (7)	C15D—C14D—C20D—O21D	−3.9 (8)
C9B—C14B—C20B—O21B	165.7 (4)	C9D—C14D—C20D—O21D	171.0 (5)
O24B—C20B—O21B—C22B	−150.8 (4)	O24D—C20D—O21D—C22D	−152.8 (5)
C14B—C20B—O21B—C22B	33.2 (6)	C14D—C20D—O21D—C22D	29.3 (7)
C20B—O21B—C22B—O23B	−47.0 (5)	C20D—O21D—C22D—O23D	−46.4 (7)
C20B—O21B—C22B—C29B	73.8 (5)	C20D—O21D—C22D—C29D	71.5 (6)
C20B—O21B—C22B—C25B	−164.2 (4)	C20D—O21D—C22D—C25D	−163.5 (5)
C14B—C15B—O23B—C22B	−9.2 (7)	C14D—C15D—O23D—C22D	−17.7 (8)
C16B—C15B—O23B—C22B	166.3 (4)	C16D—C15D—O23D—C22D	163.5 (5)
O21B—C22B—O23B—C15B	34.3 (6)	O21D—C22D—O23D—C15D	38.8 (7)
C29B—C22B—O23B—C15B	−87.0 (5)	C29D—C22D—O23D—C15D	−80.3 (5)
C25B—C22B—O23B—C15B	151.9 (5)	C25D—C22D—O23D—C15D	158.6 (5)
O21B—C22B—C25B—C30B	59.2 (5)	O21D—C22D—C25D—C30D	62.2 (7)
O23B—C22B—C25B—C30B	−60.8 (6)	O23D—C22D—C25D—C30D	−57.5 (7)
C29B—C22B—C25B—C30B	180.0 (4)	C29D—C22D—C25D—C30D	−175.0 (7)
O21B—C22B—C25B—C26B	−67.0 (5)	O21D—C22D—C25D—C26D	−70.4 (7)
O23B—C22B—C25B—C26B	173.0 (4)	O23D—C22D—C25D—C26D	169.9 (5)
C29B—C22B—C25B—C26B	53.8 (6)	C29D—C22D—C25D—C26D	52.5 (7)
C22B—C25B—C26B—C27B	−56.4 (6)	C30D—C25D—C26D—C27D	173.9 (7)
C30B—C25B—C26B—C27B	175.6 (4)	C22D—C25D—C26D—C27D	−55.6 (8)
C25B—C26B—C27B—C28B	58.6 (5)	C25D—C26D—C27D—C28D	57.9 (12)
C26B—C27B—C28B—C29B	−55.8 (5)	C26D—C27D—C28D—C29D	−51.8 (14)
C26B—C27B—C28B—C33B	−178.2 (4)	C26D—C27D—C28D—C33D	178.9 (10)
O21B—C22B—C29B—C28B	62.9 (5)	C27D—C28D—C29D—C22D	50.3 (11)
O23B—C22B—C29B—C28B	−174.8 (4)	C33D—C28D—C29D—C22D	−178.1 (6)
C25B—C22B—C29B—C28B	−56.7 (5)	O21D—C22D—C29D—C28D	68.1 (6)
C33B—C28B—C29B—C22B	176.3 (4)	O23D—C22D—C29D—C28D	−172.2 (5)
C27B—C28B—C29B—C22B	55.9 (5)	C25D—C22D—C29D—C28D	−55.6 (7)
C22B—C25B—C30B—C32B	−97.7 (7)	C22D—C25D—C30D—C31D	159.5 (8)
C26B—C25B—C30B—C32B	27.1 (8)	C26D—C25D—C30D—C31D	−75.0 (10)
C22B—C25B—C30B—C31B	142.7 (5)	C22D—C25D—C30D—C32D	−94.0 (8)
C26B—C25B—C30B—C31B	−92.5 (5)	C26D—C25D—C30D—C32D	31.6 (8)