The crystal structure of [Fe₂(PIMIC6)(AnthCO₂)(CH₃CN)]·[Fe₂(PIMIC6)(AnthCO₂)(CH₃CN)_0.9(CH₂Cl₂)_0.1]·[Fe₂(PIMIC6)(AnthCO₂)(OH₂)]·0.75CH₃CN: a crystallographer's nightmare or a fascinating case of disorder?

Refinement of large crystal structures as well as that of disordered structures can be challenging. If both features come together, structure refinement has the potential of becoming a crystallographer's nightmare. Here, the refinement of the large and highly disordered structure of [Fe₂(PIMIC6)(AnthCO₂)(CH₃CN)]·[Fe₂(PIMIC6)(AnthCO₂)(CH₃CN)_0.9(CH₂Cl₂)_0.1]·[Fe₂(PIMIC6)(AnthCO₂)(OH₂)]·0.75CH₃CN [(1), PIMIC6 is a phenol–imine-based macrocycle, AnthCO₂ is an anthracene acid anion] is described and discussed. A total of 5311 parameters had to be refined to generate a model that allows for 14 400 possible arrangements of (1) in the asymmetric unit, making this structure one of the most complex structures in the Cambridge Structural Database to date. All disorders are exceptionally well resolved and exhaustive parameterizing affords a refinement model that is unique with respect to the detail of disorder refinement.

Computing details

Data collection: Bruker SMART; cell refinement: Bruker SMART; data reduction: Bruker SAINT; program(s) used to solve structure: SHELXT 2014/5 (Sheldrick, 2014); program(s) used to refine structure: SHELXL2016/6 (Sheldrick, 2016); molecular graphics: ShelXle (Huebschle, 2014).

(I)

Crystal data

C251.40H217.15Cl0.20F6Fe6N11.65O22	F(000) = 8786
Mr = 4209.59	Dx = 1.122 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 35.549 (4) Å	Cell parameters from 9787 reflections
b = 21.056 (2) Å	θ = 2.2–26.4°
c = 36.869 (4) Å	µ = 0.41 mm^−1
β = 115.485 (2)°	T = 100 K
V = 24912 (5) Å^3	Block, red
Z = 4	0.40 × 0.35 × 0.35 mm

Data collection

CCD area detector diffractometer	31345 reflections with I > 2σ(I)
phi and ω scans	Rint = 0.078
Absorption correction: multi-scan Blessing, 1993	θmax = 26.4°, θmin = 1.1°
Tmin = 0.643, Tmax = 0.746	h = −44→44
428848 measured reflections	k = −26→26
50900 independent reflections	l = −46→45

Refinement

Refinement on F^2	32297 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.074	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.228	w = 1/[σ^2(Fo^2) + (0.0881P)^2 + 70.5583P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.035
50900 reflections	Δρmax = 2.15 e Å^−3
5311 parameters	Δρmin = −0.55 e Å^−3

Special details

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

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1_1	0.0438 (4)	0.0400 (4)	0.0356 (4)	−0.0022 (3)	0.0143 (3)	0.0016 (3)
Fe2_1	0.0357 (4)	0.0835 (6)	0.0332 (4)	0.0012 (4)	0.0056 (3)	−0.0156 (4)
O4_1	0.0454 (18)	0.068 (2)	0.0402 (19)	0.0092 (16)	0.0068 (15)	−0.0060 (16)
O5_1	0.061 (2)	0.070 (2)	0.0351 (16)	0.0149 (19)	0.0116 (16)	−0.0020 (15)
O6_1	0.0423 (18)	0.060 (2)	0.0299 (15)	−0.0038 (15)	0.0107 (13)	0.0009 (14)
O7_1	0.0538 (19)	0.061 (2)	0.065 (2)	0.0136 (16)	0.0339 (18)	0.0127 (18)
C41_1	0.031 (2)	0.0324 (16)	0.0332 (19)	−0.0006 (15)	0.0119 (17)	−0.0017 (14)
C42_1	0.030 (2)	0.0322 (19)	0.027 (2)	0.0008 (16)	0.0076 (17)	−0.0024 (15)
C43_1	0.034 (2)	0.0281 (19)	0.0317 (19)	0.0031 (16)	0.0125 (17)	0.0003 (15)
C44_1	0.030 (2)	0.0324 (16)	0.0321 (19)	0.0000 (15)	0.0109 (17)	−0.0032 (14)
C45_1	0.040 (2)	0.035 (2)	0.031 (2)	−0.0004 (18)	0.0154 (19)	−0.0039 (16)
C46_1	0.044 (3)	0.034 (2)	0.034 (2)	−0.0028 (18)	0.0174 (19)	−0.0017 (16)
C68_1	0.041 (2)	0.042 (2)	0.034 (2)	−0.0024 (18)	0.0136 (18)	−0.0025 (17)
C69_1	0.037 (2)	0.039 (2)	0.031 (2)	0.0094 (16)	0.0109 (17)	0.0098 (16)
C70_1	0.038 (2)	0.041 (2)	0.036 (2)	0.0096 (17)	0.0134 (18)	0.0055 (17)
C71_1	0.044 (3)	0.041 (2)	0.043 (2)	0.0039 (19)	0.015 (2)	0.0024 (18)
C72_1	0.048 (3)	0.051 (3)	0.059 (3)	0.002 (2)	0.021 (2)	−0.008 (2)
C73_1	0.062 (3)	0.067 (3)	0.048 (3)	0.005 (2)	0.021 (2)	−0.017 (3)
C74_1	0.053 (3)	0.070 (3)	0.042 (3)	0.011 (2)	0.024 (2)	−0.002 (2)
C75_1	0.039 (2)	0.053 (3)	0.036 (2)	0.0134 (18)	0.0132 (19)	0.0063 (18)
C76_1	0.043 (2)	0.057 (3)	0.045 (3)	0.0098 (19)	0.022 (2)	0.0083 (19)
C77_1	0.038 (2)	0.050 (3)	0.041 (2)	0.0094 (18)	0.0138 (19)	0.0115 (18)
C78_1	0.044 (3)	0.056 (3)	0.057 (3)	0.008 (2)	0.022 (2)	0.015 (2)
C79_1	0.042 (3)	0.049 (3)	0.065 (3)	−0.002 (2)	0.015 (2)	0.010 (2)
C80_1	0.047 (3)	0.048 (3)	0.046 (3)	0.001 (2)	0.009 (2)	0.003 (2)
C81_1	0.044 (2)	0.047 (3)	0.036 (2)	0.0048 (19)	0.010 (2)	0.0057 (18)
C82_1	0.035 (2)	0.039 (2)	0.035 (2)	0.0091 (16)	0.0087 (17)	0.0099 (16)
C53_1	0.038 (2)	0.039 (2)	0.044 (3)	−0.0023 (18)	0.0166 (19)	−0.0102 (19)
C54_1	0.045 (3)	0.050 (3)	0.047 (4)	0.000 (3)	0.020 (3)	−0.012 (3)
C55_1	0.047 (3)	0.066 (4)	0.048 (4)	0.000 (3)	0.024 (3)	−0.012 (3)
C56_1	0.061 (4)	0.063 (4)	0.044 (4)	−0.006 (3)	0.029 (3)	−0.009 (3)
C57_1	0.068 (3)	0.090 (4)	0.053 (3)	−0.024 (3)	0.034 (3)	−0.019 (3)
C58_1	0.049 (3)	0.070 (4)	0.054 (3)	−0.001 (3)	0.023 (2)	−0.002 (3)
C59_1	0.034 (2)	0.055 (3)	0.040 (2)	−0.0008 (19)	0.0111 (18)	−0.0022 (19)
C54B_1	0.047 (7)	0.058 (7)	0.047 (6)	−0.001 (6)	0.023 (6)	−0.010 (6)
C55B_1	0.053 (7)	0.064 (6)	0.042 (7)	−0.003 (5)	0.027 (5)	−0.012 (6)
C56B_1	0.063 (6)	0.064 (7)	0.057 (9)	−0.013 (6)	0.035 (6)	−0.021 (8)
C1_1	0.040 (4)	0.037 (3)	0.036 (3)	0.005 (2)	0.017 (2)	−0.003 (2)
C2_1	0.034 (2)	0.0376 (14)	0.0382 (17)	0.0024 (17)	0.0193 (17)	−0.0009 (13)
C3_1	0.034 (2)	0.0376 (14)	0.0382 (17)	0.0024 (17)	0.0193 (17)	−0.0009 (13)
C4_1	0.042 (4)	0.040 (3)	0.052 (3)	0.005 (3)	0.014 (3)	0.007 (2)
C5_1	0.039 (4)	0.046 (3)	0.048 (4)	0.006 (3)	0.013 (3)	0.006 (3)
C6_1	0.040 (4)	0.044 (3)	0.040 (3)	0.006 (3)	0.016 (3)	0.000 (2)
C47_1	0.0338 (12)	0.0352 (11)	0.0287 (14)	−0.0020 (9)	0.0180 (10)	−0.0040 (9)
C48_1	0.034 (3)	0.036 (2)	0.028 (3)	0.000 (2)	0.016 (3)	−0.005 (2)
C49_1	0.035 (4)	0.034 (3)	0.032 (3)	0.002 (2)	0.019 (2)	−0.004 (2)
C50_1	0.0338 (12)	0.0352 (11)	0.0287 (14)	−0.0020 (9)	0.0180 (10)	−0.0040 (9)
C51_1	0.0338 (12)	0.0352 (11)	0.0287 (14)	−0.0020 (9)	0.0180 (10)	−0.0040 (9)
C52_1	0.0338 (12)	0.0352 (11)	0.0287 (14)	−0.0020 (9)	0.0180 (10)	−0.0040 (9)
N1_1	0.036 (3)	0.035 (3)	0.032 (4)	0.002 (3)	0.012 (3)	−0.005 (3)
C64_1	0.049 (4)	0.045 (3)	0.070 (5)	0.003 (3)	0.013 (3)	0.019 (3)
C65_1	0.054 (5)	0.041 (6)	0.119 (9)	0.008 (5)	0.009 (5)	0.016 (6)
C66_1	0.062 (6)	0.039 (5)	0.088 (6)	−0.003 (5)	0.011 (5)	0.013 (4)
C67_1	0.101 (8)	0.065 (7)	0.088 (7)	−0.005 (6)	0.043 (6)	0.023 (5)
C60_1	0.040 (3)	0.032 (4)	0.028 (3)	−0.007 (2)	0.016 (2)	−0.002 (3)
C61_1	0.0406 (18)	0.037 (2)	0.028 (2)	−0.0060 (15)	0.012 (2)	−0.003 (2)
C62_1	0.0406 (18)	0.037 (2)	0.028 (2)	−0.0060 (15)	0.012 (2)	−0.003 (2)
C63_1	0.0406 (18)	0.037 (2)	0.028 (2)	−0.0060 (15)	0.012 (2)	−0.003 (2)
C7_1	0.036 (3)	0.042 (4)	0.038 (3)	0.011 (3)	0.012 (3)	0.006 (3)
C8_1	0.039 (4)	0.051 (5)	0.044 (5)	0.011 (3)	0.016 (3)	0.002 (4)
C9_1	0.035 (4)	0.061 (5)	0.048 (5)	0.006 (3)	0.016 (3)	−0.001 (4)
C10_1	0.032 (4)	0.065 (4)	0.037 (4)	0.001 (3)	0.008 (3)	−0.006 (3)
C11_1	0.033 (4)	0.056 (5)	0.035 (4)	0.005 (3)	0.010 (3)	−0.006 (4)
C12_1	0.033 (4)	0.051 (5)	0.038 (4)	0.006 (3)	0.009 (3)	−0.003 (4)
C13_1	0.037 (4)	0.072 (5)	0.037 (4)	−0.003 (3)	0.007 (3)	−0.004 (4)
C14_1	0.037 (3)	0.069 (4)	0.032 (4)	−0.003 (3)	0.006 (3)	0.003 (3)
C15_1	0.048 (4)	0.069 (5)	0.042 (4)	−0.006 (4)	−0.004 (3)	0.008 (4)
C16_1	0.049 (4)	0.071 (4)	0.051 (5)	−0.009 (4)	−0.012 (4)	0.016 (4)
C17_1	0.048 (4)	0.072 (4)	0.044 (4)	−0.010 (4)	−0.010 (3)	0.009 (4)
C18_1	0.045 (4)	0.068 (4)	0.039 (4)	−0.006 (3)	0.001 (3)	0.009 (3)
C19_1	0.040 (3)	0.070 (4)	0.029 (3)	−0.003 (3)	0.003 (3)	0.005 (3)
O2_1	0.040 (3)	0.068 (4)	0.027 (3)	−0.002 (3)	0.005 (2)	0.001 (3)
F1_1	0.064 (4)	0.082 (6)	0.079 (6)	−0.011 (4)	−0.031 (4)	0.028 (5)
N2_1	0.034 (4)	0.071 (3)	0.034 (4)	−0.002 (3)	0.009 (3)	−0.006 (3)
C20_1	0.040 (4)	0.069 (4)	0.029 (4)	−0.005 (3)	−0.004 (3)	0.005 (3)
C21_1	0.043 (4)	0.070 (4)	0.045 (5)	−0.006 (3)	0.002 (4)	0.003 (4)
C22_1	0.045 (4)	0.073 (5)	0.053 (5)	−0.010 (3)	0.002 (4)	0.003 (4)
C23_1	0.050 (4)	0.067 (5)	0.050 (5)	−0.009 (3)	0.007 (4)	0.000 (4)
C24_1	0.048 (4)	0.069 (4)	0.030 (4)	−0.007 (3)	0.004 (3)	0.000 (4)
C25_1	0.041 (4)	0.067 (4)	0.025 (4)	−0.007 (3)	−0.001 (4)	0.004 (4)
C26_1	0.050 (5)	0.069 (5)	0.031 (4)	−0.006 (4)	0.008 (4)	−0.001 (4)
O1_1	0.055 (4)	0.063 (5)	0.032 (3)	−0.006 (3)	0.006 (3)	−0.003 (3)
C27_1	0.056 (4)	0.065 (6)	0.032 (3)	−0.005 (4)	0.009 (3)	−0.003 (4)
C28_1	0.051 (4)	0.054 (5)	0.031 (3)	−0.010 (3)	0.006 (3)	−0.003 (3)
C29_1	0.047 (4)	0.059 (5)	0.035 (4)	−0.015 (4)	0.001 (3)	−0.006 (3)
C30_1	0.047 (5)	0.054 (5)	0.042 (5)	−0.015 (4)	0.008 (4)	−0.003 (4)
C31_1	0.048 (5)	0.051 (5)	0.038 (4)	−0.011 (4)	0.005 (3)	0.003 (4)
C32_1	0.048 (4)	0.042 (5)	0.037 (3)	−0.013 (4)	0.005 (3)	−0.006 (3)
C33_1	0.042 (4)	0.046 (5)	0.035 (3)	−0.005 (4)	0.007 (3)	−0.004 (3)
C34_1	0.042 (5)	0.038 (3)	0.032 (4)	−0.008 (3)	0.010 (4)	−0.002 (3)
C35_1	0.041 (6)	0.036 (4)	0.036 (5)	−0.010 (4)	0.016 (4)	0.003 (4)
C36_1	0.039 (6)	0.038 (3)	0.032 (5)	−0.004 (4)	0.016 (4)	0.008 (3)
C37_1	0.039 (6)	0.039 (3)	0.030 (5)	−0.007 (4)	0.011 (5)	0.005 (4)
C38_1	0.040 (5)	0.035 (3)	0.026 (4)	−0.006 (3)	0.010 (4)	0.001 (3)
C39_1	0.040 (5)	0.037 (3)	0.027 (4)	−0.006 (3)	0.008 (4)	−0.001 (3)
C40_1	0.043 (6)	0.035 (3)	0.024 (5)	−0.004 (3)	0.012 (5)	−0.003 (3)
O3_1	0.039 (5)	0.041 (3)	0.027 (6)	−0.006 (3)	0.004 (4)	0.002 (4)
F2_1	0.048 (8)	0.039 (5)	0.054 (9)	−0.005 (6)	0.007 (6)	0.013 (6)
N3_1	0.039 (4)	0.034 (3)	0.028 (4)	−0.004 (3)	0.014 (4)	0.000 (3)
C1A_1	0.033 (5)	0.039 (3)	0.034 (5)	0.003 (3)	0.018 (4)	−0.002 (3)
C2A_1	0.034 (2)	0.0376 (14)	0.0382 (17)	0.0024 (17)	0.0193 (17)	−0.0009 (13)
C3A_1	0.041 (6)	0.040 (3)	0.044 (6)	0.002 (4)	0.012 (5)	−0.001 (4)
C4A_1	0.045 (5)	0.041 (4)	0.054 (6)	0.004 (4)	0.010 (5)	0.003 (4)
C5A_1	0.040 (6)	0.045 (4)	0.046 (6)	0.006 (4)	0.011 (5)	0.000 (4)
C6A_1	0.040 (5)	0.044 (4)	0.038 (5)	0.005 (4)	0.014 (4)	−0.001 (4)
C47A_1	0.0338 (12)	0.0352 (11)	0.0287 (14)	−0.0020 (9)	0.0180 (10)	−0.0040 (9)
C48A_1	0.034 (4)	0.035 (3)	0.030 (5)	−0.001 (3)	0.017 (4)	−0.005 (3)
C49A_1	0.032 (4)	0.035 (3)	0.031 (5)	0.000 (3)	0.020 (4)	−0.004 (3)
C50A_1	0.036 (5)	0.033 (4)	0.035 (5)	−0.001 (4)	0.017 (4)	−0.006 (4)
C51A_1	0.0338 (12)	0.0352 (11)	0.0287 (14)	−0.0020 (9)	0.0180 (10)	−0.0040 (9)
C52A_1	0.0338 (12)	0.0352 (11)	0.0287 (14)	−0.0020 (9)	0.0180 (10)	−0.0040 (9)
N1A_1	0.036 (4)	0.038 (4)	0.035 (5)	0.002 (3)	0.011 (3)	−0.005 (4)
C64A_1	0.064 (7)	0.042 (5)	0.078 (7)	0.008 (5)	0.009 (6)	0.003 (5)
C65A_1	0.073 (9)	0.086 (17)	0.085 (16)	0.036 (9)	0.027 (9)	0.012 (13)
C66A_1	0.073 (13)	0.038 (10)	0.091 (11)	0.004 (12)	0.015 (10)	0.007 (9)
C67A_1	0.114 (16)	0.048 (12)	0.082 (9)	0.018 (14)	0.009 (10)	−0.005 (8)
C60A_1	0.041 (4)	0.036 (5)	0.030 (4)	−0.004 (3)	0.015 (3)	−0.004 (4)
C61A_1	0.0406 (18)	0.037 (2)	0.028 (2)	−0.0060 (15)	0.012 (2)	−0.003 (2)
C62A_1	0.0406 (18)	0.037 (2)	0.028 (2)	−0.0060 (15)	0.012 (2)	−0.003 (2)
C63A_1	0.0406 (18)	0.037 (2)	0.028 (2)	−0.0060 (15)	0.012 (2)	−0.003 (2)
C7A_1	0.037 (5)	0.048 (5)	0.039 (5)	0.006 (4)	0.013 (4)	−0.004 (5)
C8A_1	0.036 (5)	0.055 (7)	0.044 (6)	0.008 (5)	0.013 (5)	−0.001 (5)
C9A_1	0.035 (6)	0.062 (7)	0.044 (6)	0.008 (5)	0.011 (5)	−0.006 (5)
C10A_1	0.032 (5)	0.068 (5)	0.038 (5)	0.007 (4)	0.007 (4)	−0.007 (4)
C11A_1	0.033 (5)	0.055 (7)	0.035 (6)	0.008 (5)	0.007 (5)	−0.008 (5)
C12A_1	0.032 (6)	0.053 (6)	0.037 (6)	0.009 (5)	0.007 (5)	−0.006 (5)
C13A_1	0.033 (5)	0.072 (5)	0.035 (5)	−0.003 (5)	0.010 (5)	−0.007 (5)
C14A_1	0.039 (5)	0.069 (4)	0.034 (5)	−0.005 (4)	0.005 (4)	−0.002 (4)
C15A_1	0.043 (5)	0.069 (6)	0.037 (6)	−0.005 (5)	0.002 (4)	0.001 (5)
C16A_1	0.046 (5)	0.068 (5)	0.037 (6)	−0.003 (5)	−0.004 (4)	0.004 (4)
C17A_1	0.048 (6)	0.068 (5)	0.038 (6)	−0.006 (5)	−0.002 (5)	0.003 (5)
C18A_1	0.045 (5)	0.068 (4)	0.032 (5)	−0.006 (4)	0.004 (4)	0.002 (4)
C19A_1	0.040 (5)	0.069 (4)	0.030 (5)	−0.004 (4)	0.006 (4)	0.000 (4)
O2A_1	0.044 (5)	0.071 (6)	0.031 (5)	−0.004 (5)	0.003 (5)	0.001 (5)
F1A_1	0.064 (4)	0.082 (6)	0.079 (6)	−0.011 (4)	−0.031 (4)	0.028 (5)
N2A_1	0.034 (5)	0.076 (4)	0.034 (5)	0.001 (4)	0.009 (4)	−0.010 (4)
C20A_1	0.048 (5)	0.068 (4)	0.026 (5)	−0.009 (3)	0.003 (4)	0.000 (4)
C21A_1	0.051 (5)	0.073 (5)	0.032 (5)	−0.012 (4)	0.008 (4)	0.004 (5)
C22A_1	0.058 (5)	0.072 (5)	0.038 (6)	−0.014 (4)	0.008 (5)	0.008 (5)
C23A_1	0.060 (5)	0.071 (6)	0.035 (6)	−0.014 (4)	0.006 (5)	0.004 (5)
C24A_1	0.057 (5)	0.065 (5)	0.030 (5)	−0.010 (4)	0.007 (5)	−0.003 (4)
C25A_1	0.048 (5)	0.066 (5)	0.029 (5)	−0.010 (4)	0.002 (5)	−0.004 (5)
C26A_1	0.065 (6)	0.070 (7)	0.038 (5)	−0.002 (5)	0.008 (5)	−0.003 (5)
O1A_1	0.058 (6)	0.067 (7)	0.039 (4)	−0.007 (5)	0.002 (4)	−0.002 (4)
C27A_1	0.056 (6)	0.063 (7)	0.036 (4)	−0.011 (5)	0.005 (4)	−0.002 (5)
C28A_1	0.050 (5)	0.057 (6)	0.036 (4)	−0.009 (4)	0.008 (3)	−0.004 (4)
C29A_1	0.050 (6)	0.061 (7)	0.041 (5)	−0.019 (5)	0.003 (4)	−0.003 (5)
C30A_1	0.045 (6)	0.060 (7)	0.041 (5)	−0.015 (5)	0.007 (4)	0.000 (5)
C31A_1	0.039 (6)	0.045 (6)	0.034 (5)	−0.009 (5)	0.011 (4)	−0.007 (4)
C32A_1	0.043 (4)	0.042 (5)	0.035 (4)	−0.009 (4)	0.010 (3)	−0.003 (4)
C33A_1	0.051 (5)	0.049 (7)	0.036 (4)	−0.014 (5)	0.010 (3)	0.002 (4)
C34A_1	0.040 (4)	0.039 (3)	0.031 (4)	−0.009 (3)	0.016 (3)	−0.004 (3)
C35A_1	0.047 (5)	0.038 (4)	0.040 (4)	−0.010 (4)	0.014 (4)	0.000 (4)
C36A_1	0.040 (5)	0.036 (3)	0.035 (4)	−0.007 (3)	0.017 (4)	0.008 (3)
C37A_1	0.039 (5)	0.037 (3)	0.029 (5)	−0.007 (3)	0.011 (4)	0.004 (3)
C38A_1	0.038 (5)	0.035 (3)	0.028 (4)	−0.007 (3)	0.011 (4)	0.002 (3)
C39A_1	0.041 (4)	0.040 (3)	0.030 (4)	−0.009 (3)	0.010 (4)	−0.001 (3)
C40A_1	0.041 (5)	0.035 (3)	0.025 (5)	−0.005 (3)	0.014 (4)	−0.001 (3)
O3A_1	0.038 (5)	0.041 (3)	0.028 (5)	−0.010 (3)	0.010 (4)	−0.001 (3)
F2A_1	0.055 (6)	0.033 (4)	0.053 (6)	0.001 (4)	0.023 (4)	0.013 (3)
N3A_1	0.039 (4)	0.034 (3)	0.028 (4)	−0.005 (3)	0.015 (4)	0.000 (3)
C1B_1	0.034 (5)	0.039 (4)	0.036 (5)	0.003 (3)	0.018 (4)	−0.002 (3)
C2B_1	0.034 (2)	0.0376 (14)	0.0382 (17)	0.0024 (17)	0.0193 (17)	−0.0009 (13)
C3B_1	0.038 (7)	0.040 (3)	0.049 (6)	0.002 (4)	0.015 (6)	0.004 (4)
C4B_1	0.049 (6)	0.043 (4)	0.057 (6)	0.004 (4)	0.008 (5)	0.005 (4)
C5B_1	0.043 (7)	0.045 (4)	0.048 (7)	0.006 (5)	0.011 (6)	0.004 (4)
C6B_1	0.038 (5)	0.044 (4)	0.040 (5)	0.005 (4)	0.016 (5)	0.001 (4)
C47B_1	0.0338 (12)	0.0352 (11)	0.0287 (14)	−0.0020 (9)	0.0180 (10)	−0.0040 (9)
C48B_1	0.035 (4)	0.035 (3)	0.029 (5)	−0.001 (3)	0.017 (4)	−0.005 (3)
C49B_1	0.033 (5)	0.035 (3)	0.033 (5)	0.000 (3)	0.019 (4)	−0.004 (3)
C50B_1	0.035 (6)	0.033 (4)	0.034 (5)	−0.002 (4)	0.018 (4)	−0.004 (4)
C51B_1	0.0338 (12)	0.0352 (11)	0.0287 (14)	−0.0020 (9)	0.0180 (10)	−0.0040 (9)
C52B_1	0.0338 (12)	0.0352 (11)	0.0287 (14)	−0.0020 (9)	0.0180 (10)	−0.0040 (9)
N1B_1	0.036 (4)	0.038 (4)	0.032 (6)	0.002 (4)	0.014 (4)	−0.004 (4)
C64B_1	0.057 (7)	0.044 (4)	0.074 (7)	0.007 (5)	0.010 (6)	0.010 (5)
C65B_1	0.061 (8)	0.058 (12)	0.102 (14)	0.013 (8)	0.018 (8)	0.018 (12)
C66B_1	0.072 (12)	0.032 (8)	0.085 (10)	0.003 (11)	0.009 (10)	0.013 (8)
C67B_1	0.089 (14)	0.058 (12)	0.092 (10)	0.004 (12)	0.033 (10)	0.019 (9)
C60B_1	0.041 (4)	0.036 (5)	0.030 (4)	−0.005 (3)	0.015 (3)	−0.003 (4)
C61B_1	0.0406 (18)	0.037 (2)	0.028 (2)	−0.0060 (15)	0.012 (2)	−0.003 (2)
C62B_1	0.0406 (18)	0.037 (2)	0.028 (2)	−0.0060 (15)	0.012 (2)	−0.003 (2)
C63B_1	0.0406 (18)	0.037 (2)	0.028 (2)	−0.0060 (15)	0.012 (2)	−0.003 (2)
C7B_1	0.035 (5)	0.049 (5)	0.040 (6)	0.006 (4)	0.012 (4)	−0.002 (5)
C8B_1	0.036 (5)	0.054 (6)	0.041 (7)	0.008 (5)	0.014 (5)	0.002 (6)
C9B_1	0.035 (5)	0.062 (6)	0.041 (7)	0.007 (5)	0.014 (5)	−0.003 (6)
C10B_1	0.033 (5)	0.069 (5)	0.037 (6)	0.007 (4)	0.007 (4)	−0.007 (5)
C11B_1	0.034 (5)	0.057 (6)	0.035 (7)	0.007 (5)	0.009 (5)	−0.008 (6)
C12B_1	0.033 (6)	0.052 (6)	0.039 (7)	0.008 (5)	0.007 (5)	−0.005 (6)
C13B_1	0.032 (5)	0.075 (5)	0.034 (6)	−0.002 (5)	0.011 (5)	−0.008 (5)
C14B_1	0.039 (5)	0.071 (5)	0.032 (5)	−0.004 (4)	0.006 (4)	−0.002 (4)
C15B_1	0.045 (5)	0.069 (5)	0.039 (5)	−0.006 (5)	0.000 (5)	0.000 (5)
C16B_1	0.046 (5)	0.068 (5)	0.041 (6)	−0.004 (5)	−0.005 (5)	0.002 (5)
C17B_1	0.048 (6)	0.068 (5)	0.038 (6)	−0.006 (5)	−0.003 (5)	0.003 (5)
C18B_1	0.046 (5)	0.068 (5)	0.031 (5)	−0.004 (4)	0.003 (4)	0.002 (4)
C19B_1	0.040 (5)	0.071 (5)	0.029 (5)	−0.003 (4)	0.006 (4)	−0.001 (4)
O2B_1	0.047 (5)	0.073 (6)	0.032 (5)	−0.003 (5)	0.000 (5)	−0.002 (5)
F1B_1	0.056 (9)	0.065 (9)	0.039 (8)	0.002 (8)	−0.011 (6)	−0.009 (7)
N2B_1	0.034 (5)	0.077 (4)	0.033 (5)	0.002 (4)	0.010 (4)	−0.012 (4)
C13C_1	0.035 (6)	0.075 (6)	0.036 (5)	−0.002 (5)	0.008 (5)	−0.010 (5)
C14C_1	0.039 (5)	0.070 (5)	0.034 (5)	−0.004 (4)	0.004 (5)	−0.001 (5)
C15C_1	0.044 (6)	0.070 (6)	0.039 (6)	−0.005 (5)	0.001 (5)	0.002 (5)
C16C_1	0.047 (6)	0.069 (6)	0.042 (6)	−0.006 (5)	−0.004 (5)	0.006 (5)
C17C_1	0.047 (6)	0.069 (5)	0.038 (6)	−0.006 (5)	−0.002 (5)	0.005 (5)
C18C_1	0.045 (5)	0.069 (5)	0.034 (5)	−0.005 (4)	0.001 (5)	0.003 (4)
C19C_1	0.042 (5)	0.070 (5)	0.032 (5)	−0.004 (4)	0.004 (4)	0.001 (5)
O2C_1	0.046 (6)	0.072 (6)	0.031 (6)	−0.003 (6)	0.001 (5)	0.000 (5)
F1C_1	0.055 (13)	0.072 (12)	0.050 (12)	−0.008 (11)	−0.010 (11)	0.010 (10)
N2C_1	0.031 (6)	0.077 (4)	0.034 (5)	0.004 (4)	0.010 (5)	−0.013 (5)
C20C_1	0.046 (6)	0.069 (5)	0.033 (6)	−0.006 (4)	0.003 (5)	0.003 (5)
C21C_1	0.048 (7)	0.071 (6)	0.036 (7)	−0.009 (5)	0.003 (6)	0.004 (6)
C22C_1	0.051 (7)	0.071 (6)	0.040 (7)	−0.009 (6)	0.006 (6)	0.004 (6)
C23C_1	0.052 (7)	0.069 (7)	0.039 (7)	−0.010 (6)	0.006 (7)	0.003 (6)
C24C_1	0.051 (7)	0.067 (6)	0.037 (7)	−0.008 (5)	0.007 (6)	0.001 (6)
C25C_1	0.047 (7)	0.067 (6)	0.033 (7)	−0.007 (6)	0.003 (6)	0.002 (6)
C26C_1	0.054 (9)	0.064 (8)	0.037 (8)	−0.007 (8)	0.007 (7)	0.000 (7)
O1C_1	0.053 (7)	0.064 (8)	0.037 (9)	−0.009 (8)	0.006 (7)	−0.001 (8)
C27C_1	0.053 (7)	0.060 (8)	0.035 (5)	−0.010 (6)	0.006 (5)	−0.002 (6)
C28C_1	0.049 (5)	0.055 (7)	0.036 (5)	−0.012 (6)	0.007 (4)	−0.002 (5)
C29C_1	0.048 (7)	0.056 (8)	0.038 (6)	−0.014 (7)	0.006 (5)	−0.002 (6)
C30C_1	0.046 (7)	0.053 (8)	0.039 (6)	−0.014 (7)	0.007 (6)	−0.002 (6)
C31C_1	0.045 (6)	0.048 (8)	0.037 (6)	−0.013 (6)	0.008 (5)	−0.002 (6)
C32C_1	0.044 (5)	0.044 (6)	0.035 (5)	−0.010 (5)	0.008 (4)	−0.002 (5)
C33C_1	0.047 (6)	0.049 (7)	0.035 (5)	−0.010 (6)	0.008 (4)	−0.001 (6)
C34C_1	0.043 (5)	0.039 (4)	0.033 (5)	−0.008 (4)	0.010 (5)	−0.001 (4)
C35C_1	0.043 (5)	0.038 (5)	0.035 (6)	−0.008 (4)	0.013 (5)	0.002 (5)
C36C_1	0.042 (6)	0.036 (4)	0.034 (6)	−0.006 (4)	0.013 (5)	0.004 (5)
C37C_1	0.040 (6)	0.036 (4)	0.030 (6)	−0.006 (4)	0.012 (6)	0.004 (5)
C38C_1	0.040 (5)	0.035 (3)	0.027 (5)	−0.006 (3)	0.010 (5)	0.001 (4)
C39C_1	0.041 (5)	0.039 (4)	0.029 (5)	−0.007 (3)	0.009 (5)	0.000 (4)
C40C_1	0.040 (5)	0.034 (3)	0.028 (6)	−0.005 (4)	0.014 (5)	−0.001 (4)
O3C_1	0.041 (6)	0.042 (4)	0.031 (7)	−0.006 (4)	0.006 (5)	0.001 (5)
F2C_1	0.044 (11)	0.037 (9)	0.038 (15)	−0.005 (9)	0.015 (12)	0.007 (10)
N3C_1	0.041 (5)	0.035 (3)	0.030 (5)	−0.004 (3)	0.014 (5)	−0.001 (4)
C34D_1	0.043 (5)	0.039 (4)	0.034 (5)	−0.008 (4)	0.007 (4)	0.003 (4)
C35D_1	0.046 (6)	0.034 (5)	0.036 (5)	−0.007 (4)	0.010 (5)	0.003 (4)
C36D_1	0.044 (6)	0.035 (4)	0.033 (5)	−0.002 (4)	0.010 (4)	0.005 (4)
C37D_1	0.044 (6)	0.039 (4)	0.029 (5)	−0.006 (4)	0.009 (5)	0.004 (4)
C38D_1	0.040 (5)	0.035 (3)	0.026 (4)	−0.005 (3)	0.010 (4)	0.002 (3)
C39D_1	0.040 (5)	0.037 (4)	0.028 (4)	−0.005 (4)	0.009 (4)	0.000 (3)
C40D_1	0.041 (6)	0.035 (3)	0.025 (5)	−0.004 (3)	0.014 (5)	−0.002 (4)
O3D_1	0.039 (6)	0.040 (3)	0.029 (5)	−0.006 (4)	0.003 (5)	0.002 (4)
F2D_1	0.056 (9)	0.045 (6)	0.041 (7)	0.002 (6)	0.005 (6)	0.013 (5)
N3D_1	0.040 (5)	0.034 (3)	0.029 (4)	−0.004 (3)	0.013 (5)	0.000 (3)
N01A_1	0.065 (4)	0.075 (3)	0.079 (4)	−0.008 (3)	0.031 (3)	−0.014 (3)
C01A_1	0.067 (4)	0.080 (4)	0.075 (4)	−0.025 (3)	0.027 (3)	−0.026 (3)
C01B_1	0.122 (7)	0.106 (6)	0.139 (8)	−0.012 (5)	0.080 (6)	0.007 (6)
C04A_1	0.068 (5)	0.080 (6)	0.083 (6)	−0.014 (6)	0.025 (5)	−0.009 (6)
Cl01_1	0.070 (6)	0.105 (10)	0.077 (8)	−0.020 (8)	0.028 (6)	−0.007 (8)
Cl02_1	0.061 (4)	0.069 (6)	0.062 (5)	−0.011 (5)	0.011 (4)	−0.002 (4)
F1_2	0.0623 (19)	0.0565 (17)	0.0327 (15)	0.0255 (14)	0.0027 (13)	0.0053 (13)
O2_2	0.0383 (16)	0.0389 (16)	0.0354 (17)	−0.0045 (13)	0.0043 (13)	0.0027 (13)
N2_2	0.0342 (18)	0.0381 (18)	0.0254 (17)	−0.0028 (14)	0.0044 (14)	0.0043 (14)
Fe3_2	0.0319 (3)	0.0400 (4)	0.0303 (3)	−0.0011 (3)	0.0071 (3)	0.0082 (3)
N3_2	0.045 (2)	0.0315 (16)	0.0354 (19)	−0.0059 (15)	0.0142 (15)	−0.0093 (14)
Fe4_2	0.0405 (4)	0.0328 (3)	0.0360 (4)	−0.0067 (3)	0.0113 (3)	−0.0088 (3)
O4_2	0.0383 (17)	0.0464 (18)	0.051 (2)	−0.0027 (14)	0.0139 (15)	0.0028 (15)
O5_2	0.0419 (17)	0.0440 (18)	0.0407 (18)	−0.0043 (13)	0.0190 (15)	0.0019 (14)
C1_2	0.033 (2)	0.0295 (17)	0.0230 (18)	0.0004 (15)	0.0074 (15)	0.0006 (14)
C2_2	0.0292 (19)	0.0312 (17)	0.0239 (19)	0.0021 (15)	0.0085 (15)	−0.0004 (14)
C3_2	0.035 (2)	0.0313 (18)	0.024 (2)	0.0034 (16)	0.0041 (17)	−0.0017 (15)
C4_2	0.041 (2)	0.0281 (19)	0.030 (2)	0.0046 (16)	0.0047 (17)	−0.0019 (16)
C5_2	0.039 (2)	0.0284 (19)	0.030 (2)	0.0047 (16)	0.0072 (16)	0.0008 (16)
C6_2	0.034 (2)	0.0297 (18)	0.0260 (19)	0.0032 (15)	0.0096 (15)	0.0017 (15)
C47_2	0.0330 (19)	0.0282 (18)	0.0250 (19)	−0.0007 (15)	0.0086 (15)	0.0007 (14)
C48_2	0.032 (2)	0.0296 (17)	0.0238 (18)	0.0008 (15)	0.0094 (15)	0.0038 (14)
C49_2	0.0344 (19)	0.0288 (18)	0.0226 (18)	0.0012 (15)	0.0105 (15)	0.0003 (14)
C50_2	0.033 (2)	0.0317 (19)	0.0223 (19)	0.0001 (16)	0.0077 (15)	−0.0007 (15)
C51_2	0.0330 (19)	0.0334 (19)	0.0226 (18)	0.0002 (15)	0.0110 (15)	0.0029 (15)
C52_2	0.034 (2)	0.027 (2)	0.032 (2)	0.0027 (15)	0.0129 (15)	0.0034 (15)
N1_2	0.0350 (18)	0.0277 (16)	0.0235 (15)	0.0013 (14)	0.0039 (13)	0.0015 (13)
C7_2	0.037 (2)	0.026 (2)	0.0283 (19)	0.0032 (16)	0.0039 (15)	−0.0017 (15)
C8_2	0.035 (2)	0.033 (2)	0.034 (2)	−0.0028 (18)	0.0059 (16)	0.0035 (17)
C9_2	0.037 (2)	0.035 (2)	0.029 (2)	−0.0009 (17)	0.0042 (16)	0.0055 (18)
C10_2	0.032 (2)	0.032 (2)	0.0314 (19)	0.0028 (16)	0.0051 (15)	0.0040 (16)
C11_2	0.037 (2)	0.031 (2)	0.0316 (19)	0.0001 (18)	0.0067 (16)	0.0027 (16)
C12_2	0.039 (2)	0.033 (2)	0.030 (2)	0.0019 (17)	0.0042 (16)	0.0058 (17)
C13_2	0.038 (2)	0.035 (2)	0.027 (2)	−0.0018 (17)	0.0070 (16)	0.0039 (16)
C14_2	0.034 (2)	0.044 (2)	0.027 (2)	0.0015 (17)	0.0078 (16)	0.0014 (16)
C15_2	0.045 (2)	0.042 (2)	0.027 (2)	0.0068 (19)	0.0096 (17)	0.0029 (17)
C16_2	0.044 (2)	0.048 (2)	0.028 (2)	0.0148 (18)	0.0093 (17)	0.0074 (17)
C17_2	0.038 (2)	0.060 (2)	0.029 (2)	0.0041 (19)	0.0037 (19)	0.0053 (18)
C18_2	0.035 (2)	0.054 (2)	0.032 (2)	−0.0029 (17)	0.0043 (17)	0.0012 (17)
C19_2	0.036 (2)	0.041 (2)	0.030 (2)	−0.0023 (16)	0.0060 (16)	0.0052 (16)
C20_2	0.028 (4)	0.056 (3)	0.034 (4)	−0.003 (3)	0.003 (3)	0.000 (3)
C21_2	0.034 (6)	0.057 (4)	0.035 (4)	−0.013 (4)	0.003 (4)	0.001 (3)
C22_2	0.034 (6)	0.066 (4)	0.033 (4)	−0.020 (4)	0.007 (4)	−0.003 (3)
C23_2	0.037 (5)	0.057 (4)	0.035 (5)	−0.018 (4)	0.013 (4)	−0.009 (3)
C24_2	0.037 (4)	0.056 (3)	0.035 (5)	−0.011 (3)	0.013 (4)	−0.005 (3)
C25_2	0.039 (4)	0.054 (3)	0.034 (5)	−0.007 (3)	0.007 (5)	−0.004 (3)
C26_2	0.046 (4)	0.057 (3)	0.037 (6)	−0.012 (3)	0.018 (4)	−0.004 (4)
O1_2	0.040 (3)	0.053 (3)	0.047 (6)	−0.013 (3)	0.017 (4)	−0.007 (4)
C27_2	0.056 (5)	0.056 (4)	0.055 (6)	−0.016 (3)	0.019 (4)	−0.005 (4)
C28_2	0.054 (4)	0.051 (4)	0.045 (4)	−0.018 (3)	0.015 (4)	−0.004 (4)
C29_2	0.058 (5)	0.058 (5)	0.043 (4)	−0.017 (4)	0.008 (4)	−0.008 (4)
C30_2	0.066 (5)	0.048 (5)	0.040 (4)	−0.022 (4)	0.012 (3)	−0.013 (4)
C31_2	0.058 (5)	0.043 (5)	0.039 (4)	−0.017 (4)	0.018 (3)	−0.011 (3)
C32_2	0.052 (4)	0.037 (4)	0.040 (3)	−0.020 (3)	0.020 (3)	−0.009 (3)
C33_2	0.055 (4)	0.047 (5)	0.038 (4)	−0.014 (4)	0.017 (4)	−0.009 (4)
C34_2	0.058 (4)	0.033 (3)	0.036 (3)	−0.015 (3)	0.021 (3)	−0.010 (3)
C35_2	0.068 (5)	0.032 (3)	0.039 (4)	−0.016 (4)	0.026 (4)	−0.009 (3)
C36_2	0.076 (5)	0.029 (3)	0.041 (4)	−0.008 (4)	0.027 (4)	−0.003 (3)
C37_2	0.065 (6)	0.034 (3)	0.035 (4)	−0.006 (3)	0.025 (4)	−0.003 (3)
C38_2	0.057 (5)	0.031 (3)	0.037 (4)	−0.012 (3)	0.022 (4)	−0.006 (3)
C39_2	0.057 (5)	0.030 (3)	0.037 (4)	−0.015 (3)	0.019 (4)	−0.007 (3)
O3_2	0.057 (6)	0.030 (3)	0.039 (4)	−0.017 (3)	0.013 (4)	−0.009 (3)
F2_2	0.107 (9)	0.026 (3)	0.048 (6)	−0.008 (4)	0.021 (6)	−0.005 (3)
C20A_2	0.030 (6)	0.056 (4)	0.031 (5)	−0.004 (4)	0.006 (4)	0.000 (4)
C21A_2	0.033 (6)	0.057 (5)	0.032 (5)	−0.008 (5)	0.006 (5)	−0.001 (4)
C22A_2	0.037 (7)	0.061 (5)	0.034 (5)	−0.013 (5)	0.004 (5)	−0.003 (4)
C23A_2	0.044 (7)	0.059 (5)	0.036 (6)	−0.012 (5)	0.009 (5)	−0.003 (4)
C24A_2	0.047 (6)	0.059 (4)	0.036 (6)	−0.012 (4)	0.008 (5)	−0.004 (4)
C25A_2	0.038 (6)	0.055 (4)	0.033 (6)	−0.007 (4)	0.008 (6)	−0.001 (4)
C26A_2	0.052 (6)	0.058 (5)	0.042 (7)	−0.013 (4)	0.012 (5)	−0.003 (5)
O1A_2	0.052 (5)	0.059 (5)	0.045 (5)	−0.012 (4)	0.011 (5)	−0.005 (4)
C27A_2	0.055 (6)	0.055 (5)	0.043 (6)	−0.014 (4)	0.011 (5)	−0.003 (5)
C28A_2	0.057 (5)	0.051 (5)	0.043 (5)	−0.016 (4)	0.014 (4)	−0.004 (4)
C29A_2	0.061 (6)	0.055 (6)	0.043 (5)	−0.019 (5)	0.012 (5)	−0.009 (5)
C30A_2	0.065 (6)	0.050 (7)	0.038 (5)	−0.021 (6)	0.018 (5)	−0.007 (5)
C31A_2	0.061 (7)	0.043 (6)	0.040 (5)	−0.020 (6)	0.019 (5)	−0.008 (5)
C32A_2	0.058 (5)	0.040 (5)	0.040 (4)	−0.018 (4)	0.018 (4)	−0.006 (4)
C33A_2	0.056 (6)	0.042 (6)	0.040 (5)	−0.017 (5)	0.015 (5)	−0.004 (5)
C34A_2	0.059 (6)	0.033 (4)	0.038 (5)	−0.015 (4)	0.020 (4)	−0.008 (4)
C35A_2	0.060 (6)	0.032 (4)	0.033 (5)	−0.014 (4)	0.032 (5)	−0.009 (4)
C36A_2	0.064 (6)	0.031 (4)	0.036 (5)	−0.008 (4)	0.032 (5)	−0.005 (4)
C37A_2	0.063 (7)	0.034 (4)	0.041 (6)	−0.005 (4)	0.024 (6)	−0.007 (4)
C38A_2	0.056 (6)	0.031 (4)	0.038 (5)	−0.007 (4)	0.022 (5)	−0.012 (4)
C39A_2	0.055 (6)	0.034 (4)	0.036 (5)	−0.012 (4)	0.021 (4)	−0.011 (4)
O3A_2	0.062 (8)	0.035 (4)	0.038 (7)	−0.014 (4)	0.011 (6)	−0.011 (4)
F2A_2	0.085 (11)	0.029 (4)	0.055 (9)	−0.006 (5)	0.034 (8)	−0.004 (5)
C20B_2	0.035 (7)	0.057 (4)	0.035 (5)	−0.007 (5)	0.003 (5)	0.000 (4)
C21B_2	0.032 (8)	0.060 (6)	0.035 (5)	−0.012 (6)	0.003 (5)	−0.001 (4)
C22B_2	0.039 (8)	0.063 (6)	0.036 (6)	−0.016 (6)	0.006 (6)	−0.003 (4)
C23B_2	0.041 (8)	0.060 (6)	0.034 (6)	−0.015 (6)	0.010 (6)	−0.008 (5)
C24B_2	0.040 (6)	0.057 (4)	0.036 (6)	−0.010 (5)	0.011 (5)	−0.005 (4)
C25B_2	0.036 (6)	0.056 (4)	0.032 (6)	−0.007 (5)	0.007 (6)	−0.003 (4)
C26B_2	0.049 (6)	0.059 (4)	0.039 (7)	−0.011 (4)	0.017 (6)	−0.005 (5)
O1B_2	0.045 (6)	0.055 (5)	0.046 (7)	−0.015 (5)	0.019 (6)	−0.004 (6)
C27B_2	0.049 (6)	0.055 (5)	0.047 (7)	−0.018 (5)	0.017 (6)	−0.004 (5)
C28B_2	0.053 (5)	0.054 (5)	0.042 (6)	−0.018 (5)	0.017 (5)	−0.006 (5)
C29B_2	0.057 (6)	0.055 (6)	0.041 (6)	−0.021 (5)	0.016 (6)	−0.006 (5)
C30B_2	0.063 (6)	0.051 (7)	0.041 (6)	−0.022 (6)	0.018 (5)	−0.007 (6)
C31B_2	0.062 (6)	0.046 (7)	0.040 (5)	−0.019 (6)	0.019 (5)	−0.009 (5)
C32B_2	0.055 (5)	0.040 (5)	0.039 (5)	−0.021 (4)	0.022 (4)	−0.007 (4)
C33B_2	0.052 (6)	0.045 (6)	0.041 (6)	−0.018 (5)	0.018 (5)	−0.007 (5)
C34B_2	0.057 (5)	0.034 (4)	0.036 (5)	−0.016 (4)	0.023 (5)	−0.009 (4)
C35B_2	0.060 (6)	0.035 (4)	0.033 (6)	−0.013 (5)	0.032 (5)	−0.009 (5)
C36B_2	0.070 (7)	0.035 (5)	0.040 (6)	−0.009 (5)	0.024 (6)	−0.010 (5)
C37B_2	0.065 (7)	0.034 (4)	0.040 (7)	−0.008 (5)	0.022 (6)	−0.010 (4)
C38B_2	0.058 (6)	0.034 (4)	0.038 (6)	−0.010 (4)	0.020 (5)	−0.010 (4)
C39B_2	0.055 (6)	0.036 (4)	0.037 (6)	−0.012 (4)	0.021 (5)	−0.012 (4)
O3B_2	0.058 (8)	0.036 (4)	0.036 (8)	−0.012 (4)	0.016 (6)	−0.014 (4)
F2B_2	0.095 (14)	0.035 (5)	0.048 (13)	−0.011 (6)	0.001 (11)	−0.013 (6)
C40_2	0.052 (3)	0.0332 (18)	0.042 (2)	−0.0051 (18)	0.017 (2)	−0.0086 (17)
C41_2	0.040 (2)	0.030 (2)	0.032 (2)	−0.0034 (17)	0.0120 (17)	−0.0055 (16)
C42_2	0.036 (2)	0.028 (2)	0.034 (2)	−0.0017 (16)	0.0119 (17)	−0.0018 (16)
C43_2	0.040 (2)	0.026 (2)	0.028 (2)	−0.0001 (16)	0.0101 (17)	−0.0029 (16)
C44_2	0.0368 (19)	0.0252 (19)	0.028 (2)	−0.0006 (16)	0.0086 (16)	0.0036 (15)
C45_2	0.036 (2)	0.035 (2)	0.036 (2)	−0.0001 (17)	0.0118 (18)	−0.0031 (17)
C46_2	0.045 (2)	0.032 (2)	0.042 (2)	−0.0007 (18)	0.0171 (19)	−0.0119 (18)
C53_2	0.037 (2)	0.025 (2)	0.0236 (17)	0.0008 (17)	0.0037 (15)	0.0002 (15)
C54_2	0.032 (4)	0.065 (9)	0.027 (3)	0.001 (4)	0.008 (3)	−0.007 (4)
C55_2	0.042 (5)	0.090 (10)	0.030 (3)	0.001 (6)	0.012 (3)	−0.011 (4)
C54A_2	0.039 (6)	0.051 (11)	0.031 (4)	−0.002 (6)	0.010 (4)	−0.009 (5)
C55A_2	0.037 (6)	0.068 (10)	0.030 (4)	−0.013 (6)	0.011 (4)	−0.005 (5)
C56_2	0.048 (3)	0.061 (3)	0.031 (2)	−0.014 (2)	0.0096 (19)	−0.001 (2)
C57_2	0.045 (3)	0.066 (3)	0.030 (2)	−0.014 (2)	0.0109 (19)	0.000 (2)
C58_2	0.048 (3)	0.060 (3)	0.040 (3)	−0.007 (2)	0.021 (2)	−0.007 (2)
C59_2	0.041 (2)	0.043 (2)	0.034 (2)	−0.0064 (17)	0.0144 (19)	−0.0041 (18)
C60_2	0.038 (2)	0.031 (2)	0.032 (2)	0.0073 (16)	0.0071 (16)	0.0027 (16)
C61_2	0.039 (3)	0.044 (3)	0.040 (3)	0.009 (2)	0.008 (2)	−0.002 (2)
C62_2	0.047 (3)	0.040 (3)	0.035 (2)	0.005 (2)	0.006 (2)	0.0083 (19)
C63_2	0.037 (2)	0.037 (2)	0.035 (2)	0.0051 (18)	0.0032 (19)	0.0024 (18)
C64_2	0.049 (2)	0.029 (2)	0.041 (2)	0.0034 (18)	−0.001 (2)	−0.0033 (18)
C65_2	0.057 (3)	0.036 (3)	0.050 (3)	−0.005 (2)	0.004 (2)	−0.005 (2)
C66_2	0.055 (3)	0.040 (3)	0.046 (2)	0.011 (2)	0.003 (2)	−0.014 (2)
C67_2	0.071 (3)	0.028 (2)	0.057 (3)	0.006 (2)	−0.014 (3)	−0.005 (2)
C68_2	0.040 (2)	0.0322 (19)	0.028 (2)	−0.0022 (18)	0.0109 (17)	0.0033 (16)
C69_2	0.041 (3)	0.026 (3)	0.030 (3)	0.007 (3)	0.013 (2)	0.011 (3)
C70_2	0.041 (4)	0.023 (3)	0.032 (3)	0.006 (3)	0.015 (3)	0.009 (2)
C71_2	0.044 (4)	0.029 (3)	0.036 (3)	0.003 (3)	0.015 (3)	0.007 (2)
C72_2	0.055 (5)	0.036 (4)	0.036 (3)	−0.003 (4)	0.015 (3)	0.006 (2)
C73_2	0.058 (5)	0.035 (3)	0.033 (3)	0.000 (4)	0.015 (3)	0.002 (3)
C74_2	0.057 (5)	0.040 (4)	0.033 (3)	0.001 (4)	0.022 (3)	0.003 (3)
C75_2	0.049 (4)	0.030 (3)	0.033 (3)	0.005 (3)	0.017 (3)	0.006 (3)
C76_2	0.046 (4)	0.040 (4)	0.033 (3)	0.007 (3)	0.018 (3)	0.011 (3)
C77_2	0.043 (3)	0.032 (4)	0.035 (4)	0.003 (3)	0.016 (3)	0.008 (3)
C78_2	0.045 (4)	0.054 (5)	0.039 (4)	0.002 (3)	0.020 (3)	0.007 (3)
C79_2	0.038 (3)	0.057 (6)	0.041 (5)	−0.006 (3)	0.015 (3)	0.004 (4)
C80_2	0.047 (3)	0.051 (6)	0.036 (4)	−0.005 (3)	0.016 (3)	0.000 (3)
C81_2	0.043 (3)	0.031 (5)	0.040 (4)	0.003 (3)	0.019 (3)	0.004 (3)
C82_2	0.044 (3)	0.028 (4)	0.036 (4)	0.003 (3)	0.016 (3)	0.006 (3)
O6_2	0.045 (4)	0.032 (3)	0.035 (3)	0.000 (3)	0.017 (3)	0.004 (3)
O7_2	0.059 (5)	0.033 (3)	0.030 (4)	−0.011 (3)	0.018 (3)	0.003 (3)
C69A_2	0.049 (7)	0.024 (10)	0.033 (6)	0.007 (7)	0.020 (5)	0.006 (7)
C70A_2	0.050 (8)	0.032 (10)	0.036 (6)	0.003 (8)	0.019 (6)	0.002 (6)
C71A_2	0.055 (9)	0.046 (12)	0.028 (7)	−0.004 (9)	0.016 (7)	0.012 (7)
C72A_2	0.059 (10)	0.041 (11)	0.034 (7)	−0.001 (10)	0.014 (7)	0.005 (7)
C73A_2	0.063 (10)	0.046 (12)	0.028 (8)	−0.002 (10)	0.013 (7)	0.002 (7)
C74A_2	0.062 (10)	0.050 (11)	0.034 (7)	−0.001 (10)	0.016 (7)	−0.004 (7)
C75A_2	0.052 (8)	0.031 (9)	0.031 (6)	0.006 (8)	0.017 (6)	0.003 (6)
C76A_2	0.054 (8)	0.035 (9)	0.024 (7)	0.002 (8)	0.022 (6)	0.003 (7)
C77A_2	0.051 (7)	0.042 (10)	0.026 (7)	0.003 (7)	0.024 (6)	−0.001 (7)
C78A_2	0.048 (7)	0.037 (10)	0.034 (10)	0.005 (7)	0.027 (7)	−0.004 (9)
C79A_2	0.046 (9)	0.053 (13)	0.040 (9)	−0.004 (8)	0.033 (7)	−0.012 (8)
C80A_2	0.049 (8)	0.050 (14)	0.042 (9)	−0.007 (7)	0.036 (7)	−0.010 (8)
C81A_2	0.049 (8)	0.041 (14)	0.028 (7)	−0.005 (8)	0.031 (6)	−0.002 (7)
C82A_2	0.047 (6)	0.021 (10)	0.024 (7)	0.010 (6)	0.022 (6)	0.008 (6)
Fe1_3	0.0416 (4)	0.0306 (3)	0.0265 (3)	0.0004 (3)	0.0115 (3)	0.0002 (2)
N1_3	0.0366 (19)	0.0320 (17)	0.0283 (17)	−0.0024 (14)	0.0095 (14)	−0.0049 (13)
C1_3	0.0324 (19)	0.0327 (18)	0.0289 (19)	−0.0049 (15)	0.0154 (14)	−0.0073 (15)
Fe2_3	0.0379 (3)	0.0312 (3)	0.0308 (3)	−0.0061 (3)	0.0089 (3)	−0.0075 (3)
N2_3	0.0355 (17)	0.0338 (16)	0.0259 (16)	−0.0021 (13)	0.0151 (13)	0.0024 (13)
C2_3	0.033 (2)	0.0328 (19)	0.033 (2)	−0.0051 (16)	0.0139 (16)	−0.0044 (15)
N3_3	0.0396 (19)	0.0365 (17)	0.0263 (17)	−0.0055 (14)	0.0095 (14)	−0.0056 (14)
C3_3	0.038 (2)	0.029 (2)	0.042 (2)	−0.0019 (17)	0.0148 (17)	−0.0067 (17)
O4_3	0.0389 (15)	0.0372 (17)	0.0392 (17)	−0.0028 (13)	0.0112 (13)	−0.0068 (13)
C4_3	0.041 (2)	0.0368 (19)	0.038 (2)	−0.0059 (17)	0.0164 (17)	−0.0136 (17)
O5_3	0.0464 (18)	0.052 (2)	0.0304 (15)	0.0015 (15)	0.0097 (13)	−0.0077 (14)
C5_3	0.037 (2)	0.039 (2)	0.030 (2)	−0.0033 (17)	0.0134 (18)	−0.0090 (16)
O6_3	0.0407 (16)	0.0391 (17)	0.0254 (13)	−0.0013 (13)	0.0109 (12)	−0.0016 (12)
C6_3	0.032 (2)	0.0362 (19)	0.0276 (19)	−0.0037 (15)	0.0140 (15)	−0.0067 (15)
O7_3	0.0383 (15)	0.0432 (18)	0.0345 (16)	−0.0035 (13)	0.0099 (13)	0.0016 (14)
C7_3	0.029 (2)	0.0333 (19)	0.0294 (19)	−0.0065 (16)	0.0123 (16)	−0.0038 (14)
C8_3	0.040 (2)	0.038 (2)	0.0282 (19)	−0.0077 (18)	0.0144 (18)	−0.0072 (16)
C9_3	0.040 (2)	0.039 (2)	0.0244 (19)	−0.0039 (18)	0.0125 (18)	−0.0009 (16)
C10_3	0.029 (2)	0.0334 (18)	0.0262 (18)	−0.0070 (16)	0.0102 (16)	−0.0023 (14)
C11_3	0.031 (2)	0.0330 (19)	0.0258 (18)	0.0005 (16)	0.0115 (17)	−0.0032 (15)
C12_3	0.035 (2)	0.034 (2)	0.0258 (19)	−0.0024 (17)	0.0093 (17)	−0.0008 (15)
C13_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C14_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C15_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C16_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C17_3	0.042 (5)	0.040 (4)	0.028 (5)	0.008 (3)	0.023 (4)	0.008 (4)
C18_3	0.040 (5)	0.036 (3)	0.034 (4)	0.012 (3)	0.018 (3)	0.003 (3)
C19_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
O2_3	0.046 (6)	0.023 (4)	0.030 (4)	0.006 (4)	0.018 (4)	0.004 (3)
F1_3	0.030 (6)	0.073 (10)	0.032 (5)	0.007 (5)	0.015 (5)	0.021 (6)
C20_3	0.046 (5)	0.030 (4)	0.046 (5)	0.014 (4)	0.017 (4)	0.008 (3)
C21_3	0.062 (7)	0.028 (5)	0.052 (6)	0.011 (4)	0.025 (5)	0.011 (5)
C22_3	0.071 (7)	0.030 (5)	0.069 (6)	0.008 (5)	0.035 (6)	0.007 (5)
C23_3	0.069 (7)	0.031 (6)	0.077 (6)	0.001 (5)	0.034 (5)	0.000 (5)
C24_3	0.052 (6)	0.041 (5)	0.065 (4)	0.004 (4)	0.024 (4)	−0.004 (4)
C25_3	0.044 (6)	0.034 (5)	0.047 (4)	0.013 (4)	0.017 (4)	0.005 (4)
C26_3	0.059 (7)	0.066 (7)	0.076 (5)	0.003 (5)	0.021 (5)	−0.027 (4)
O1_3	0.055 (5)	0.112 (8)	0.063 (5)	0.005 (5)	0.019 (4)	−0.022 (4)
C27_3	0.074 (5)	0.098 (9)	0.067 (5)	0.031 (6)	0.011 (5)	−0.016 (6)
C28_3	0.080 (5)	0.051 (5)	0.067 (6)	0.019 (4)	0.004 (5)	−0.020 (5)
C29_3	0.094 (6)	0.043 (5)	0.075 (8)	0.012 (5)	−0.005 (6)	−0.018 (6)
C30_3	0.096 (6)	0.041 (6)	0.081 (9)	−0.001 (5)	−0.010 (6)	−0.003 (5)
C31_3	0.073 (6)	0.037 (5)	0.070 (8)	−0.007 (4)	−0.003 (6)	−0.005 (5)
C32_3	0.065 (4)	0.028 (4)	0.063 (7)	−0.003 (4)	0.004 (5)	−0.020 (4)
C33_3	0.063 (4)	0.047 (5)	0.062 (7)	0.012 (4)	0.013 (5)	−0.020 (5)
C34_3	0.049 (5)	0.036 (4)	0.053 (6)	−0.006 (3)	0.009 (4)	−0.016 (3)
C35_3	0.056 (5)	0.035 (5)	0.056 (6)	−0.011 (4)	0.008 (4)	−0.015 (4)
C36_3	0.040 (5)	0.048 (5)	0.043 (4)	−0.010 (4)	0.010 (3)	−0.017 (4)
C37_3	0.035 (5)	0.042 (5)	0.031 (4)	−0.001 (4)	0.008 (4)	−0.008 (4)
C38_3	0.033 (5)	0.036 (4)	0.035 (4)	−0.001 (3)	0.011 (3)	−0.013 (3)
C39_3	0.029 (4)	0.036 (4)	0.032 (4)	−0.002 (3)	0.011 (3)	−0.010 (3)
C40_3	0.025 (5)	0.038 (4)	0.024 (4)	0.006 (3)	0.011 (3)	−0.010 (3)
O3_3	0.035 (4)	0.034 (4)	0.040 (5)	−0.003 (3)	0.001 (3)	−0.012 (4)
F2_3	0.050 (5)	0.062 (7)	0.046 (3)	−0.018 (4)	0.006 (3)	−0.020 (4)
C14A_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C15A_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C16A_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C17A_3	0.041 (6)	0.038 (5)	0.032 (6)	0.008 (4)	0.019 (5)	0.005 (5)
C18A_3	0.044 (6)	0.039 (4)	0.035 (6)	0.008 (4)	0.016 (5)	0.003 (4)
C19A_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
O2A_3	0.038 (7)	0.033 (5)	0.029 (5)	0.005 (5)	0.018 (5)	0.001 (4)
F1A_3	0.050 (9)	0.037 (9)	0.035 (7)	0.011 (6)	0.007 (7)	0.005 (6)
C20A_3	0.051 (7)	0.032 (5)	0.044 (6)	0.010 (5)	0.012 (5)	0.008 (4)
C21A_3	0.061 (8)	0.028 (6)	0.048 (7)	0.001 (6)	0.018 (7)	−0.001 (6)
C22A_3	0.067 (9)	0.028 (7)	0.051 (7)	−0.002 (6)	0.014 (7)	0.002 (7)
C23A_3	0.072 (8)	0.031 (7)	0.054 (7)	−0.003 (6)	0.017 (6)	−0.002 (6)
C24A_3	0.069 (8)	0.033 (6)	0.057 (5)	0.003 (6)	0.019 (5)	0.001 (5)
C25A_3	0.062 (8)	0.032 (6)	0.045 (6)	0.007 (6)	0.015 (6)	0.004 (5)
C26A_3	0.066 (7)	0.042 (7)	0.055 (6)	0.008 (7)	0.013 (5)	−0.001 (5)
O1A_3	0.063 (5)	0.021 (6)	0.061 (6)	0.008 (6)	0.022 (5)	0.008 (5)
C27A_3	0.063 (5)	0.052 (7)	0.058 (5)	0.004 (5)	0.018 (4)	0.001 (5)
C28A_3	0.074 (7)	0.039 (6)	0.060 (5)	0.001 (6)	0.011 (5)	−0.006 (5)
C29A_3	0.080 (9)	0.036 (6)	0.062 (6)	0.007 (7)	0.013 (6)	−0.002 (5)
C30A_3	0.057 (8)	0.026 (6)	0.058 (6)	−0.005 (5)	0.023 (6)	−0.007 (5)
C31A_3	0.053 (7)	0.023 (5)	0.046 (6)	−0.009 (5)	0.020 (6)	−0.008 (5)
C32A_3	0.061 (7)	0.025 (5)	0.042 (6)	−0.008 (5)	0.014 (5)	−0.009 (4)
C33A_3	0.072 (8)	0.038 (6)	0.044 (5)	0.002 (6)	0.012 (6)	−0.008 (5)
C34A_3	0.065 (6)	0.032 (4)	0.034 (6)	−0.003 (4)	0.004 (5)	−0.011 (4)
C35A_3	0.072 (7)	0.039 (7)	0.047 (8)	−0.008 (5)	−0.005 (6)	−0.016 (5)
C36A_3	0.061 (7)	0.047 (6)	0.032 (6)	−0.009 (5)	−0.002 (5)	−0.012 (4)
C37A_3	0.047 (8)	0.043 (6)	0.035 (6)	−0.004 (5)	0.007 (6)	−0.011 (5)
C38A_3	0.043 (7)	0.033 (4)	0.035 (6)	−0.001 (4)	0.011 (5)	−0.010 (4)
C39A_3	0.055 (7)	0.032 (4)	0.042 (7)	0.000 (4)	0.000 (5)	−0.013 (4)
C40A_3	0.033 (6)	0.030 (4)	0.026 (6)	0.004 (4)	0.012 (5)	−0.005 (4)
O3A_3	0.055 (7)	0.031 (5)	0.039 (7)	−0.004 (4)	0.003 (4)	−0.010 (4)
F2A_3	0.071 (8)	0.054 (8)	0.043 (6)	−0.019 (6)	−0.010 (6)	−0.015 (5)
C14B_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C15B_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C16B_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C17B_3	0.051 (8)	0.041 (5)	0.044 (7)	0.007 (5)	0.013 (6)	0.009 (5)
C18B_3	0.044 (7)	0.042 (3)	0.041 (6)	0.006 (4)	0.016 (5)	0.005 (3)
C19B_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
O2B_3	0.040 (6)	0.036 (6)	0.035 (5)	0.002 (5)	0.016 (5)	0.002 (4)
F1B_3	0.047 (12)	0.085 (14)	0.033 (9)	0.013 (8)	0.008 (10)	0.012 (9)
C20B_3	0.041 (9)	0.039 (5)	0.048 (6)	0.008 (6)	0.018 (6)	0.004 (5)
C21B_3	0.060 (11)	0.045 (6)	0.050 (8)	−0.001 (7)	0.014 (8)	0.007 (6)
C22B_3	0.085 (12)	0.048 (7)	0.056 (7)	−0.011 (8)	0.016 (8)	0.005 (7)
C23B_3	0.074 (12)	0.050 (8)	0.056 (7)	−0.014 (9)	0.018 (8)	0.003 (7)
C24B_3	0.064 (10)	0.044 (7)	0.054 (6)	−0.004 (7)	0.027 (6)	−0.002 (5)
C25B_3	0.038 (11)	0.035 (8)	0.048 (6)	0.011 (8)	0.017 (6)	0.003 (5)
C26B_3	0.055 (12)	0.044 (9)	0.053 (6)	−0.008 (9)	0.036 (7)	−0.003 (6)
O1B_3	0.064 (9)	0.039 (8)	0.054 (7)	0.011 (8)	0.025 (7)	0.001 (6)
C27B_3	0.075 (7)	0.040 (12)	0.055 (8)	0.011 (8)	0.020 (7)	−0.002 (8)
C28B_3	0.072 (6)	0.041 (8)	0.055 (9)	0.006 (6)	0.016 (7)	−0.004 (8)
C29B_3	0.073 (7)	0.035 (8)	0.054 (11)	0.007 (7)	0.016 (8)	−0.007 (8)
C30B_3	0.071 (7)	0.034 (8)	0.063 (10)	0.003 (7)	0.013 (8)	−0.001 (8)
C31B_3	0.066 (8)	0.033 (9)	0.059 (11)	0.001 (7)	0.013 (8)	−0.002 (8)
C32B_3	0.066 (7)	0.029 (8)	0.045 (10)	−0.002 (6)	0.012 (7)	−0.012 (8)
C33B_3	0.068 (7)	0.037 (8)	0.046 (10)	0.004 (7)	0.016 (8)	−0.009 (8)
C14C_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C15C_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C16C_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
C17C_3	0.039 (8)	0.042 (6)	0.033 (8)	0.007 (6)	0.019 (7)	0.006 (6)
C18C_3	0.047 (7)	0.041 (5)	0.037 (7)	0.006 (4)	0.013 (6)	0.005 (5)
C19C_3	0.0359 (15)	0.0431 (12)	0.0290 (10)	0.0064 (11)	0.0170 (10)	0.0039 (9)
O2C_3	0.035 (7)	0.034 (6)	0.030 (5)	0.004 (5)	0.021 (5)	0.004 (5)
F1C_3	0.038 (10)	0.045 (18)	0.030 (9)	0.004 (10)	0.016 (9)	0.012 (11)
C20C_3	0.048 (9)	0.036 (6)	0.045 (7)	0.009 (7)	0.016 (6)	0.004 (6)
C21C_3	0.062 (11)	0.031 (10)	0.051 (8)	0.010 (9)	0.024 (8)	0.006 (7)
C22C_3	0.070 (12)	0.034 (11)	0.060 (8)	0.006 (10)	0.026 (9)	0.007 (9)
C23C_3	0.069 (12)	0.035 (12)	0.064 (9)	0.005 (10)	0.024 (8)	0.004 (8)
C24C_3	0.066 (9)	0.045 (9)	0.056 (8)	−0.002 (8)	0.017 (7)	0.000 (7)
C25C_3	0.055 (9)	0.037 (8)	0.047 (7)	0.008 (7)	0.014 (7)	0.003 (6)
C26C_3	0.080 (10)	0.048 (13)	0.061 (8)	−0.002 (10)	0.009 (8)	−0.006 (10)
O1C_3	0.076 (10)	0.061 (17)	0.075 (12)	−0.006 (11)	0.005 (9)	−0.017 (14)
C27C_3	0.083 (13)	0.048 (16)	0.065 (9)	−0.004 (13)	0.003 (9)	−0.006 (9)
C28C_3	0.076 (11)	0.036 (9)	0.068 (8)	0.000 (8)	0.006 (8)	−0.006 (7)
C29C_3	0.074 (12)	0.033 (9)	0.068 (8)	0.001 (9)	0.004 (9)	−0.005 (8)
C30C_3	0.074 (11)	0.036 (8)	0.068 (8)	0.004 (8)	0.005 (8)	−0.006 (7)
C31C_3	0.066 (9)	0.032 (7)	0.062 (8)	0.000 (7)	0.010 (8)	−0.009 (7)
C32C_3	0.063 (10)	0.033 (8)	0.061 (8)	−0.003 (8)	0.008 (8)	−0.012 (7)
C33C_3	0.069 (11)	0.036 (9)	0.062 (8)	0.002 (8)	0.010 (8)	−0.009 (7)
C20D_3	0.047 (10)	0.035 (8)	0.047 (7)	0.010 (8)	0.013 (8)	0.007 (6)
C21D_3	0.059 (10)	0.035 (8)	0.049 (8)	0.004 (8)	0.017 (8)	0.005 (7)
C22D_3	0.073 (12)	0.038 (8)	0.057 (8)	−0.002 (9)	0.017 (8)	0.002 (8)
C23D_3	0.074 (12)	0.040 (9)	0.057 (8)	−0.005 (10)	0.016 (8)	0.000 (7)
C24D_3	0.063 (11)	0.037 (8)	0.056 (7)	0.005 (9)	0.017 (7)	0.002 (6)
C25D_3	0.052 (13)	0.034 (8)	0.048 (8)	0.010 (9)	0.015 (8)	0.006 (7)
C26D_3	0.066 (9)	0.046 (12)	0.057 (7)	0.001 (10)	0.017 (6)	−0.002 (7)
O1D_3	0.065 (9)	0.047 (12)	0.059 (7)	0.002 (10)	0.017 (6)	0.000 (8)
C27D_3	0.063 (5)	0.052 (7)	0.058 (5)	0.004 (5)	0.018 (4)	0.001 (5)
C28D_3	0.067 (6)	0.036 (7)	0.055 (10)	0.006 (6)	0.018 (7)	−0.007 (8)
C29D_3	0.075 (8)	0.036 (7)	0.064 (12)	0.005 (6)	0.006 (9)	−0.003 (9)
C30D_3	0.076 (8)	0.036 (7)	0.067 (11)	0.003 (6)	0.005 (9)	−0.007 (9)
C31D_3	0.070 (8)	0.033 (7)	0.061 (11)	−0.001 (6)	0.006 (9)	−0.008 (8)
C32D_3	0.066 (7)	0.033 (7)	0.049 (11)	−0.001 (7)	0.014 (8)	−0.011 (8)
C33D_3	0.063 (7)	0.031 (8)	0.048 (11)	0.002 (6)	0.017 (8)	−0.009 (8)
C41_3	0.038 (2)	0.0360 (19)	0.021 (2)	−0.0045 (15)	0.0034 (17)	−0.0059 (16)
C42_3	0.039 (2)	0.035 (2)	0.032 (2)	−0.0014 (17)	0.0080 (19)	−0.0035 (18)
C43_3	0.034 (2)	0.039 (2)	0.038 (2)	−0.0063 (17)	0.0079 (19)	−0.0070 (19)
C44_3	0.035 (2)	0.037 (2)	0.025 (2)	−0.0023 (16)	0.0025 (17)	−0.0033 (17)
C45_3	0.036 (2)	0.039 (2)	0.033 (2)	−0.0023 (17)	0.0084 (19)	−0.0026 (18)
C46_3	0.036 (2)	0.038 (2)	0.027 (2)	−0.0079 (17)	0.0043 (18)	−0.0034 (18)
C47_3	0.035 (2)	0.037 (2)	0.032 (2)	−0.0055 (16)	0.0109 (16)	−0.0029 (16)
C48_3	0.0290 (19)	0.0341 (19)	0.0336 (19)	−0.0034 (16)	0.0118 (15)	−0.0039 (15)
C49_3	0.033 (2)	0.0353 (19)	0.035 (2)	−0.0024 (16)	0.0150 (16)	−0.0024 (15)
C50_3	0.040 (2)	0.033 (2)	0.039 (2)	−0.0005 (17)	0.0147 (17)	−0.0011 (17)
C51_3	0.039 (2)	0.038 (2)	0.038 (2)	0.0013 (18)	0.0107 (17)	0.0055 (17)
C52_3	0.036 (2)	0.041 (2)	0.033 (2)	−0.0025 (18)	0.0078 (18)	−0.0005 (17)
C53_3	0.035 (2)	0.031 (2)	0.034 (2)	−0.0038 (17)	0.0079 (18)	−0.0043 (17)
C54_3	0.049 (3)	0.035 (2)	0.040 (3)	−0.0039 (19)	0.021 (2)	−0.0027 (19)
C55_3	0.056 (3)	0.042 (2)	0.048 (3)	−0.011 (2)	0.020 (2)	0.000 (2)
C56_3	0.031 (3)	0.038 (3)	0.031 (3)	−0.004 (2)	0.008 (2)	0.0019 (19)
C57_3	0.035 (2)	0.039 (3)	0.036 (3)	−0.006 (2)	0.013 (2)	0.004 (2)
C56A_3	0.054 (8)	0.042 (6)	0.029 (9)	−0.002 (7)	0.031 (7)	−0.006 (6)
C57A_3	0.059 (17)	0.046 (6)	0.049 (8)	−0.003 (7)	0.032 (10)	0.002 (4)
C58_3	0.045 (2)	0.040 (2)	0.036 (2)	0.004 (2)	0.0173 (19)	0.0107 (19)
C59_3	0.0411 (19)	0.030 (2)	0.0312 (19)	−0.0003 (17)	0.0117 (16)	0.0005 (16)
C60_3	0.049 (3)	0.041 (2)	0.047 (3)	0.001 (2)	0.005 (2)	0.006 (2)
C61_3	0.065 (4)	0.036 (2)	0.074 (4)	0.002 (2)	0.002 (3)	0.011 (2)
C62_3	0.099 (5)	0.076 (4)	0.054 (3)	0.020 (4)	0.023 (3)	0.027 (3)
C63_3	0.046 (3)	0.044 (3)	0.078 (4)	0.004 (2)	−0.002 (3)	0.008 (3)
C64_3	0.055 (2)	0.039 (2)	0.043 (2)	−0.0079 (19)	0.0162 (18)	−0.0183 (18)
C65_3	0.067 (6)	0.041 (8)	0.060 (8)	−0.001 (7)	0.000 (5)	−0.025 (5)
C66_3	0.047 (6)	0.042 (2)	0.056 (5)	−0.011 (3)	0.015 (5)	−0.016 (2)
C67_3	0.070 (7)	0.052 (8)	0.036 (8)	−0.012 (6)	0.021 (6)	−0.030 (7)
C65A_3	0.061 (8)	0.059 (9)	0.044 (9)	−0.008 (7)	0.019 (8)	−0.024 (7)
C66A_3	0.047 (6)	0.042 (2)	0.056 (5)	−0.011 (3)	0.015 (5)	−0.016 (2)
C67A_3	0.055 (4)	0.055 (9)	0.039 (6)	−0.015 (5)	0.018 (4)	−0.011 (5)
C65B_3	0.066 (15)	0.044 (14)	0.042 (6)	−0.011 (13)	0.018 (8)	−0.021 (6)
C66B_3	0.047 (6)	0.042 (2)	0.056 (5)	−0.011 (3)	0.015 (5)	−0.016 (2)
C67B_3	0.052 (6)	0.039 (14)	0.045 (15)	−0.010 (6)	0.012 (9)	−0.019 (13)
C68_3	0.0382 (19)	0.026 (2)	0.0269 (17)	0.0028 (16)	0.0096 (14)	−0.0031 (15)
C69_3	0.029 (2)	0.0365 (19)	0.0233 (19)	0.0000 (16)	0.0053 (15)	−0.0015 (16)
C70_3	0.033 (2)	0.0369 (19)	0.030 (2)	0.0025 (17)	0.0058 (16)	−0.0047 (17)
C71_3	0.043 (3)	0.037 (2)	0.044 (3)	0.0030 (19)	0.011 (2)	−0.0028 (19)
C72_3	0.069 (4)	0.039 (3)	0.080 (4)	0.008 (2)	0.035 (3)	−0.006 (3)
C73_3	0.105 (5)	0.052 (3)	0.115 (6)	0.015 (3)	0.073 (5)	−0.008 (3)
C74_3	0.090 (5)	0.055 (3)	0.100 (5)	0.012 (3)	0.067 (4)	−0.004 (3)
C75_3	0.051 (3)	0.049 (2)	0.046 (3)	0.004 (2)	0.025 (2)	−0.005 (2)
C76_3	0.048 (3)	0.053 (2)	0.045 (3)	0.003 (2)	0.027 (2)	0.003 (2)
C77_3	0.035 (2)	0.044 (2)	0.031 (2)	−0.0016 (18)	0.0113 (18)	−0.0005 (18)
C78_3	0.039 (2)	0.047 (2)	0.037 (2)	−0.0038 (19)	0.013 (2)	0.004 (2)
C79_3	0.048 (3)	0.036 (2)	0.041 (3)	−0.0050 (19)	0.017 (2)	0.0047 (19)
C80_3	0.041 (2)	0.033 (2)	0.034 (2)	−0.0014 (18)	0.0122 (19)	−0.0020 (18)
C81_3	0.035 (2)	0.0353 (19)	0.025 (2)	−0.0039 (17)	0.0106 (17)	−0.0012 (16)
C82_3	0.029 (2)	0.0363 (18)	0.024 (2)	−0.0035 (16)	0.0052 (16)	−0.0031 (16)
O8_3	0.052 (2)	0.0383 (19)	0.0461 (18)	−0.0068 (14)	0.0206 (15)	−0.0064 (14)
N03A_3	0.067 (4)	0.066 (4)	0.071 (4)	−0.001 (3)	0.034 (4)	0.015 (3)
C03A_3	0.066 (5)	0.062 (4)	0.069 (5)	0.002 (4)	0.033 (4)	0.013 (4)
C03B_3	0.076 (6)	0.066 (5)	0.091 (7)	−0.007 (4)	0.038 (5)	0.014 (5)
N02A_3	0.051 (2)	0.067 (3)	0.042 (2)	−0.014 (2)	0.0070 (18)	0.003 (2)
C02A_3	0.054 (3)	0.058 (3)	0.042 (2)	−0.022 (2)	0.013 (2)	−0.006 (2)
C02B_3	0.063 (4)	0.076 (4)	0.050 (3)	−0.011 (3)	0.020 (3)	0.009 (3)

Geometric parameters (Å, º)

Fe1_1—O3D_1	1.85 (2)	C23A_2—C24A_2	1.392 (13)
Fe1_1—O3_1	1.87 (2)	C23A_2—H23D_2	0.9500
Fe1_1—O3C_1	1.92 (7)	C24A_2—C25A_2	1.402 (13)
Fe1_1—O4_1	1.968 (4)	C24A_2—C26A_2	1.514 (14)
Fe1_1—O3A_1	1.976 (17)	C25A_2—H25D_2	0.9500
Fe1_1—O6_1	2.007 (3)	C26A_2—O1A_2	1.430 (15)
Fe1_1—N3_1	2.08 (2)	C26A_2—H26D_2	0.9900
Fe1_1—N3D_1	2.08 (3)	C26A_2—H26E_2	0.9900
Fe1_1—N3C_1	2.11 (3)	O1A_2—C27A_2	1.418 (15)
Fe1_1—N3A_1	2.11 (2)	C27A_2—C28A_2	1.497 (14)
Fe1_1—Cl02_1	2.299 (15)	C27A_2—H27D_2	0.9900
Fe2_1—N2C_1	1.83 (11)	C27A_2—H27E_2	0.9900
Fe2_1—O2C_1	1.87 (8)	C28A_2—C33A_2	1.383 (13)
Fe2_1—O2B_1	1.89 (3)	C28A_2—C29A_2	1.393 (13)
Fe2_1—N2B_1	1.91 (3)	C29A_2—C30A_2	1.374 (13)
Fe2_1—O2_1	1.918 (10)	C29A_2—H29D_2	0.9500
Fe2_1—O7_1	1.974 (4)	C30A_2—C31A_2	1.376 (13)
Fe2_1—O5_1	1.993 (4)	C30A_2—H30D_2	0.9500
Fe2_1—O2A_1	2.00 (3)	C31A_2—C32A_2	1.400 (13)
Fe2_1—N2A_1	2.08 (4)	C31A_2—H31D_2	0.9500
Fe2_1—N2_1	2.176 (14)	C32A_2—C33A_2	1.375 (13)
Fe2_1—N01A_1	2.403 (6)	C32A_2—C34A_2	1.476 (14)
O4_1—C59_1	1.249 (6)	C33A_2—H33D_2	0.9500
O5_1—C59_1	1.248 (6)	C34A_2—C35A_2	1.392 (13)
O6_1—C68_1	1.251 (6)	C34A_2—C39A_2	1.414 (12)
O7_1—C68_1	1.259 (6)	C35A_2—C36A_2	1.381 (13)
C41_1—C42_1	1.389 (6)	C35A_2—H35D_2	0.9500
C41_1—C46_1	1.395 (6)	C36A_2—F2A_2	1.363 (14)
C41_1—N3C_1	1.419 (17)	C36A_2—C37A_2	1.394 (13)
C41_1—N3D_1	1.422 (14)	C37A_2—C38A_2	1.402 (13)
C41_1—N3_1	1.423 (13)	C37A_2—H37D_2	0.9500
C41_1—N3A_1	1.431 (12)	C38A_2—C39A_2	1.410 (13)
C42_1—C43_1	1.376 (5)	C38A_2—C40_2	1.49 (2)
C42_1—H42_1	0.9500	C39A_2—O3A_2	1.307 (14)
C43_1—C44_1	1.406 (5)	C20B_2—C25B_2	1.399 (14)
C43_1—H43_1	0.9500	C20B_2—C21B_2	1.399 (14)
C44_1—C45_1	1.391 (6)	C21B_2—C22B_2	1.389 (14)
C44_1—C47_1	1.480 (9)	C21B_2—H21G_2	0.9500
C44_1—C47A_1	1.492 (14)	C22B_2—C23B_2	1.391 (14)
C44_1—C47B_1	1.499 (15)	C22B_2—H22G_2	0.9500
C45_1—C46_1	1.387 (6)	C23B_2—C24B_2	1.396 (13)
C45_1—H45_1	0.9500	C23B_2—H23G_2	0.9500
C46_1—H46_1	0.9500	C24B_2—C25B_2	1.401 (14)
C68_1—C69_1	1.503 (7)	C24B_2—C26B_2	1.512 (15)
C69_1—C70_1	1.398 (7)	C25B_2—H25G_2	0.9500
C69_1—C82_1	1.407 (7)	C26B_2—O1B_2	1.421 (17)
C70_1—C75_1	1.427 (7)	C26B_2—H26G_2	0.9900
C70_1—C71_1	1.430 (7)	C26B_2—H26H_2	0.9900
C71_1—C72_1	1.356 (7)	O1B_2—C27B_2	1.437 (17)
C71_1—H71_1	0.9500	C27B_2—C28B_2	1.500 (15)
C72_1—C73_1	1.414 (8)	C27B_2—H27G_2	0.9900
C72_1—H72_1	0.9500	C27B_2—H27H_2	0.9900
C73_1—C74_1	1.334 (8)	C28B_2—C33B_2	1.385 (13)
C73_1—H73_1	0.9500	C28B_2—C29B_2	1.392 (13)
C74_1—C75_1	1.442 (7)	C29B_2—C30B_2	1.383 (14)
C74_1—H74_1	0.9500	C29B_2—H29G_2	0.9500
C75_1—C76_1	1.382 (7)	C30B_2—C31B_2	1.379 (14)
C76_1—C77_1	1.389 (7)	C30B_2—H30G_2	0.9500
C76_1—H76_1	0.9500	C31B_2—C32B_2	1.391 (13)
C77_1—C78_1	1.414 (7)	C31B_2—H31G_2	0.9500
C77_1—C82_1	1.440 (7)	C32B_2—C33B_2	1.375 (13)
C78_1—C79_1	1.372 (8)	C32B_2—C34B_2	1.468 (15)
C78_1—H78_1	0.9500	C33B_2—H33G_2	0.9500
C79_1—C80_1	1.397 (8)	C34B_2—C35B_2	1.394 (13)
C79_1—H79_1	0.9500	C34B_2—C39B_2	1.409 (13)
C80_1—C81_1	1.344 (7)	C35B_2—C36B_2	1.388 (13)
C80_1—H80_1	0.9500	C35B_2—H35G_2	0.9500
C81_1—C82_1	1.429 (7)	C36B_2—F2B_2	1.361 (15)
C81_1—H81_1	0.9500	C36B_2—C37B_2	1.387 (13)
C53_1—N1A_1	1.38 (6)	C37B_2—C38B_2	1.400 (14)
C53_1—N1B_1	1.49 (10)	C37B_2—H37G_2	0.9500
C53_1—N1_1	1.50 (3)	C38B_2—C39B_2	1.401 (13)
C53_1—C54_1	1.505 (8)	C38B_2—C40_2	1.44 (2)
C53_1—C54B_1	1.614 (17)	C39B_2—O3B_2	1.314 (15)
C53_1—H53A_1	0.9900	C40_2—H40_2	0.9500
C53_1—H53B_1	0.9900	C41_2—C46_2	1.376 (6)
C53_1—H53D_1	0.9900	C41_2—C42_2	1.404 (6)
C53_1—H53E_1	0.9900	C42_2—C43_2	1.379 (6)
C54_1—C55_1	1.544 (9)	C42_2—H42_2	0.9500
C54_1—H54A_1	0.9900	C43_2—C44_2	1.385 (6)
C54_1—H54B_1	0.9900	C43_2—H43_2	0.9500
C55_1—C56_1	1.496 (11)	C44_2—C45_2	1.404 (6)
C55_1—H55A_1	0.9900	C45_2—C46_2	1.385 (6)
C55_1—H55B_1	0.9900	C45_2—H45_2	0.9500
C56_1—C57_1	1.552 (9)	C46_2—H46_2	0.9500
C56_1—H56A_1	0.9900	C53_2—C54A_2	1.487 (13)
C56_1—H56B_1	0.9900	C53_2—C54_2	1.525 (10)
C57_1—C58_1	1.497 (7)	C53_2—H53A_2	0.9900
C57_1—C56B_1	1.524 (19)	C53_2—H53B_2	0.9900
C57_1—H57A_1	0.9900	C53_2—H53E_2	0.9900
C57_1—H57B_1	0.9900	C53_2—H53F_2	0.9900
C57_1—H57D_1	0.9900	C54_2—C55_2	1.546 (9)
C57_1—H57E_1	0.9900	C54_2—H54A_2	0.9900
C58_1—C59_1	1.519 (7)	C54_2—H54B_2	0.9900
C58_1—H58A_1	0.9900	C55_2—C56_2	1.495 (9)
C58_1—H58B_1	0.9900	C55_2—H55A_2	0.9900
C54B_1—C55B_1	1.462 (19)	C55_2—H55B_2	0.9900
C54B_1—H54D_1	0.9900	C54A_2—C55A_2	1.521 (12)
C54B_1—H54E_1	0.9900	C54A_2—H54D_2	0.9900
C55B_1—C56B_1	1.50 (2)	C54A_2—H54E_2	0.9900
C55B_1—H55D_1	0.9900	C55A_2—C56_2	1.563 (12)
C55B_1—H55E_1	0.9900	C55A_2—H55D_2	0.9900
C56B_1—H56D_1	0.9900	C55A_2—H55E_2	0.9900
C56B_1—H56E_1	0.9900	C56_2—C57_2	1.509 (6)
C1_1—C2_1	1.390 (9)	C56_2—H56A_2	0.9900
C1_1—N1_1	1.407 (11)	C56_2—H56B_2	0.9900
C1_1—C6_1	1.412 (9)	C56_2—H56D_2	0.9900
C2_1—C3_1	1.384 (9)	C56_2—H56E_2	0.9900
C2_1—C49_1	1.450 (9)	C57_2—C58_2	1.526 (7)
C3_1—C4_1	1.385 (9)	C57_2—H57A_2	0.9900
C3_1—H3_1	0.9500	C57_2—H57B_2	0.9900
C4_1—C5_1	1.397 (10)	C58_2—C59_2	1.505 (7)
C4_1—C64_1	1.550 (13)	C58_2—H58A_2	0.9900
C5_1—C6_1	1.388 (10)	C58_2—H58B_2	0.9900
C5_1—H5_1	0.9500	C60_2—C63_2	1.527 (6)
C6_1—C7_1	1.500 (12)	C60_2—C61_2	1.533 (6)
C47_1—C52_1	1.388 (9)	C60_2—C62_2	1.543 (7)
C47_1—C48_1	1.390 (9)	C61_2—H61A_2	0.9800
C48_1—C49_1	1.408 (9)	C61_2—H61B_2	0.9800
C48_1—N1_1	1.412 (8)	C61_2—H61C_2	0.9800
C49_1—C50_1	1.394 (9)	C62_2—H62A_2	0.9800
C50_1—C51_1	1.389 (9)	C62_2—H62B_2	0.9800
C50_1—H50_1	0.9500	C62_2—H62C_2	0.9800
C51_1—C52_1	1.403 (9)	C63_2—H63A_2	0.9800
C51_1—C60_1	1.521 (17)	C63_2—H63B_2	0.9800
C52_1—H52_1	0.9500	C63_2—H63C_2	0.9800
C64_1—C66_1	1.522 (12)	C64_2—C65_2	1.527 (8)
C64_1—C67_1	1.544 (14)	C64_2—C67_2	1.535 (7)
C64_1—C65_1	1.553 (14)	C64_2—C66_2	1.549 (7)
C65_1—H65A_1	0.9800	C65_2—H65A_2	0.9800
C65_1—H65B_1	0.9800	C65_2—H65B_2	0.9800
C65_1—H65C_1	0.9800	C65_2—H65C_2	0.9800
C66_1—H66A_1	0.9800	C66_2—H66A_2	0.9800
C66_1—H66B_1	0.9800	C66_2—H66B_2	0.9800
C66_1—H66C_1	0.9800	C66_2—H66C_2	0.9800
C67_1—H67A_1	0.9800	C67_2—H67A_2	0.9800
C67_1—H67B_1	0.9800	C67_2—H67B_2	0.9800
C67_1—H67C_1	0.9800	C67_2—H67C_2	0.9800
C60_1—C63_1	1.524 (9)	C68_2—O6A_2	1.15 (5)
C60_1—C62_1	1.531 (10)	C68_2—O7_2	1.247 (11)
C60_1—C61_1	1.554 (10)	C68_2—O6_2	1.275 (12)
C61_1—H61A_1	0.9800	C68_2—O7A_2	1.29 (5)
C61_1—H61B_1	0.9800	C68_2—C69_2	1.502 (7)
C61_1—H61C_1	0.9800	C68_2—C69A_2	1.524 (15)
C62_1—H62A_1	0.9800	C69_2—C82_2	1.393 (7)
C62_1—H62B_1	0.9800	C69_2—C70_2	1.409 (7)
C62_1—H62C_1	0.9800	C70_2—C75_2	1.415 (7)
C63_1—H63A_1	0.9800	C70_2—C71_2	1.430 (7)
C63_1—H63B_1	0.9800	C71_2—C72_2	1.369 (7)
C63_1—H63C_1	0.9800	C71_2—H71_2	0.9500
C7_1—C8_1	1.386 (9)	C72_2—C73_2	1.404 (8)
C7_1—C12_1	1.407 (10)	C72_2—H72_2	0.9500
C8_1—C9_1	1.391 (10)	C73_2—C74_2	1.378 (8)
C8_1—H8_1	0.9500	C73_2—H73_2	0.9500
C9_1—C10_1	1.389 (10)	C74_2—C75_2	1.419 (8)
C9_1—H9_1	0.9500	C74_2—H74_2	0.9500
C10_1—C11_1	1.383 (9)	C75_2—C76_2	1.397 (8)
C10_1—N2_1	1.439 (9)	C76_2—C77_2	1.397 (8)
C11_1—C12_1	1.385 (10)	C76_2—H76_2	0.9500
C11_1—H11_1	0.9500	C77_2—C78_2	1.419 (8)
C12_1—H12_1	0.9500	C77_2—C82_2	1.426 (7)
C13_1—N2_1	1.300 (10)	C78_2—C79_2	1.367 (8)
C13_1—C14_1	1.431 (10)	C78_2—H78_2	0.9500
C13_1—H13_1	0.9500	C79_2—C80_2	1.412 (8)
C14_1—C19_1	1.404 (10)	C79_2—H79_2	0.9500
C14_1—C15_1	1.416 (9)	C80_2—C81_2	1.368 (8)
C15_1—C16_1	1.359 (10)	C80_2—H80_2	0.9500
C15_1—H15_1	0.9500	C81_2—C82_2	1.423 (8)
C16_1—F1_1	1.366 (9)	C81_2—H81_2	0.9500
C16_1—C17_1	1.377 (10)	C69A_2—C82A_2	1.406 (12)
C17_1—C18_1	1.384 (10)	C69A_2—C70A_2	1.412 (12)
C17_1—H17_1	0.9500	C70A_2—C71A_2	1.405 (13)
C18_1—C19_1	1.427 (9)	C70A_2—C75A_2	1.417 (13)
C18_1—C20_1	1.486 (11)	C71A_2—C72A_2	1.399 (13)
C19_1—O2_1	1.315 (9)	C71A_2—H71D_2	0.9500
C20_1—C25_1	1.384 (10)	C72A_2—C73A_2	1.404 (13)
C20_1—C21_1	1.396 (10)	C72A_2—H72D_2	0.9500
C21_1—C22_1	1.373 (10)	C73A_2—C74A_2	1.397 (13)
C21_1—H21_1	0.9500	C73A_2—H73D_2	0.9500
C22_1—C23_1	1.390 (11)	C74A_2—C75A_2	1.405 (12)
C22_1—H22_1	0.9500	C74A_2—H74D_2	0.9500
C23_1—C24_1	1.383 (10)	C75A_2—C76A_2	1.399 (12)
C23_1—H23_1	0.9500	C76A_2—C77A_2	1.399 (12)
C24_1—C25_1	1.374 (10)	C76A_2—H76D_2	0.9500
C24_1—C26_1	1.520 (10)	C77A_2—C78A_2	1.409 (13)
C25_1—H25_1	0.9500	C77A_2—C82A_2	1.414 (12)
C26_1—O1_1	1.431 (9)	C78A_2—C79A_2	1.399 (13)
C26_1—H26A_1	0.9900	C78A_2—H78D_2	0.9500
C26_1—H26B_1	0.9900	C79A_2—C80A_2	1.407 (13)
O1_1—C27_1	1.419 (10)	C79A_2—H79D_2	0.9500
C27_1—C28_1	1.522 (9)	C80A_2—C81A_2	1.397 (13)
C27_1—H27A_1	0.9900	C80A_2—H80D_2	0.9500
C27_1—H27B_1	0.9900	C81A_2—C82A_2	1.410 (12)
C28_1—C29_1	1.382 (9)	C81A_2—H81D_2	0.9500
C28_1—C33_1	1.385 (9)	Fe1_3—O2B_3	1.85 (2)
C29_1—C30_1	1.376 (10)	Fe1_3—O2A_3	1.87 (3)
C29_1—H29_1	0.9500	Fe1_3—O2C_3	1.98 (4)
C30_1—C31_1	1.387 (10)	Fe1_3—O4_3	1.983 (3)
C30_1—H30_1	0.9500	Fe1_3—O2_3	1.987 (15)
C31_1—C32_1	1.392 (10)	Fe1_3—O6_3	2.042 (3)
C31_1—H31_1	0.9500	Fe1_3—N2_3	2.132 (4)
C32_1—C33_1	1.396 (10)	Fe1_3—O8_3	2.328 (3)
C32_1—C34_1	1.513 (13)	N1_3—C1_3	1.397 (5)
C33_1—H33_1	0.9500	N1_3—C48_3	1.410 (5)
C34_1—C35_1	1.387 (12)	N1_3—C53_3	1.478 (6)
C34_1—C39_1	1.414 (12)	C1_3—C2_3	1.402 (6)
C35_1—C36_1	1.389 (11)	C1_3—C6_3	1.408 (6)
C35_1—H35_1	0.9500	Fe2_3—O3_3	1.924 (16)
C36_1—F2_1	1.351 (11)	Fe2_3—O3A_3	1.93 (2)
C36_1—C37_1	1.379 (12)	Fe2_3—O5_3	2.014 (3)
C37_1—C38_1	1.401 (12)	Fe2_3—O7_3	2.020 (3)
C37_1—H37_1	0.9500	Fe2_3—N3_3	2.133 (4)
C38_1—C39_1	1.415 (11)	Fe2_3—O8_3	2.377 (4)
C38_1—C40_1	1.418 (12)	N2_3—C13_3	1.297 (5)
C39_1—O3_1	1.322 (13)	N2_3—C10_3	1.423 (5)
C40_1—N3_1	1.296 (14)	C2_3—C3_3	1.399 (6)
C40_1—H40_1	0.9500	C2_3—C49_3	1.449 (6)
C1A_1—C2A_1	1.386 (14)	N3_3—C40_3	1.306 (14)
C1A_1—C6A_1	1.410 (14)	N3_3—C40A_3	1.31 (2)
C1A_1—N1A_1	1.411 (15)	N3_3—C41_3	1.429 (6)
C2A_1—C3A_1	1.394 (14)	C3_3—C4_3	1.389 (6)
C2A_1—C49A_1	1.447 (13)	C3_3—H3_3	0.9500
C3A_1—C4A_1	1.392 (15)	O4_3—C59_3	1.254 (5)
C3A_1—H3D_1	0.9500	C4_3—C5_3	1.397 (6)
C4A_1—C5A_1	1.405 (15)	C4_3—C64_3	1.539 (6)
C4A_1—C64A_1	1.54 (3)	O5_3—C59_3	1.267 (5)
C5A_1—C6A_1	1.381 (15)	C5_3—C6_3	1.397 (6)
C5A_1—H5D_1	0.9500	C5_3—H5_3	0.9500
C6A_1—C7A_1	1.48 (2)	O6_3—C68_3	1.251 (5)
C47A_1—C48A_1	1.396 (13)	C6_3—C7_3	1.476 (6)
C47A_1—C52A_1	1.399 (14)	O7_3—C68_3	1.258 (5)
C48A_1—C49A_1	1.406 (14)	C7_3—C12_3	1.395 (6)
C48A_1—N1A_1	1.413 (14)	C7_3—C8_3	1.402 (6)
C49A_1—C50A_1	1.391 (14)	C8_3—C9_3	1.382 (6)
C50A_1—C51A_1	1.383 (14)	C8_3—H8_3	0.9500
C50A_1—H50D_1	0.9500	C9_3—C10_3	1.389 (6)
C51A_1—C52A_1	1.410 (14)	C9_3—H9_3	0.9500
C51A_1—C60A_1	1.57 (4)	C10_3—C11_3	1.398 (6)
C52A_1—H52D_1	0.9500	C11_3—C12_3	1.374 (6)
C64A_1—C66A_1	1.50 (2)	C11_3—H11_3	0.9500
C64A_1—C67A_1	1.55 (2)	C12_3—H12_3	0.9500
C64A_1—C65A_1	1.58 (2)	C13_3—C14B_3	1.401 (14)
C65A_1—H65D_1	0.9800	C13_3—C14_3	1.441 (10)
C65A_1—H65E_1	0.9800	C13_3—C14C_3	1.462 (16)
C65A_1—H65F_1	0.9800	C13_3—C14A_3	1.468 (13)
C66A_1—H66D_1	0.9800	C13_3—H13_3	0.9500
C66A_1—H66E_1	0.9800	C14_3—C15_3	1.406 (10)
C66A_1—H66F_1	0.9800	C14_3—C19_3	1.419 (11)
C67A_1—H67D_1	0.9800	C15_3—C16_3	1.370 (11)
C67A_1—H67E_1	0.9800	C15_3—H15_3	0.9500
C67A_1—H67F_1	0.9800	C16_3—F1_3	1.366 (10)
C60A_1—C63A_1	1.522 (16)	C16_3—C17_3	1.385 (11)
C60A_1—C62A_1	1.533 (16)	C17_3—C18_3	1.397 (10)
C60A_1—C61A_1	1.543 (16)	C17_3—H17_3	0.9500
C61A_1—H61D_1	0.9800	C18_3—C19_3	1.417 (10)
C61A_1—H61E_1	0.9800	C18_3—C20_3	1.502 (11)
C61A_1—H61F_1	0.9800	C19_3—O2_3	1.311 (10)
C62A_1—H62D_1	0.9800	C20_3—C25_3	1.390 (11)
C62A_1—H62E_1	0.9800	C20_3—C21_3	1.401 (11)
C62A_1—H62F_1	0.9800	C21_3—C22_3	1.378 (11)
C63A_1—H63D_1	0.9800	C21_3—H21_3	0.9500
C63A_1—H63E_1	0.9800	C22_3—C23_3	1.378 (12)
C63A_1—H63F_1	0.9800	C22_3—H22_3	0.9500
C7A_1—C8A_1	1.390 (13)	C23_3—C24_3	1.398 (11)
C7A_1—C12A_1	1.393 (13)	C23_3—H23_3	0.9500
C8A_1—C9A_1	1.391 (14)	C24_3—C25_3	1.386 (11)
C8A_1—H8D_1	0.9500	C24_3—C26_3	1.520 (12)
C9A_1—C10A_1	1.389 (14)	C25_3—H25_3	0.9500
C9A_1—H9D_1	0.9500	C26_3—O1_3	1.436 (12)
C10A_1—C11A_1	1.387 (13)	C26_3—H26A_3	0.9900
C10A_1—N2A_1	1.436 (16)	C26_3—H26B_3	0.9900
C11A_1—C12A_1	1.393 (14)	O1_3—C27_3	1.464 (12)
C11A_1—H11D_1	0.9500	C27_3—C28_3	1.536 (13)
C12A_1—H12D_1	0.9500	C27_3—H27A_3	0.9900
C13A_1—N2A_1	1.298 (16)	C27_3—H27B_3	0.9900
C13A_1—C14A_1	1.437 (15)	C28_3—C29_3	1.383 (12)
C13A_1—H13D_1	0.9500	C28_3—C33_3	1.404 (11)
C14A_1—C19A_1	1.402 (13)	C29_3—C30_3	1.388 (12)
C14A_1—C15A_1	1.404 (13)	C29_3—H29_3	0.9500
C15A_1—C16A_1	1.381 (13)	C30_3—C31_3	1.381 (12)
C15A_1—H15D_1	0.9500	C30_3—H30_3	0.9500
C16A_1—F1A_1	1.363 (15)	C31_3—C32_3	1.393 (12)
C16A_1—C17A_1	1.389 (13)	C31_3—H31_3	0.9500
C17A_1—C18A_1	1.392 (13)	C32_3—C33_3	1.385 (12)
C17A_1—H17D_1	0.9500	C32_3—C34_3	1.504 (14)
C18A_1—C19A_1	1.407 (13)	C33_3—H33_3	0.9500
C18A_1—C20A_1	1.513 (16)	C34_3—C35_3	1.392 (10)
C19A_1—O2A_1	1.313 (15)	C34_3—C39_3	1.420 (9)
C20A_1—C25A_1	1.385 (12)	C35_3—C36_3	1.367 (10)
C20A_1—C21A_1	1.389 (12)	C35_3—H35_3	0.9500
C21A_1—C22A_1	1.373 (12)	C36_3—F2_3	1.369 (9)
C21A_1—H21D_1	0.9500	C36_3—C37_3	1.376 (10)
C22A_1—C23A_1	1.383 (12)	C37_3—C38_3	1.419 (9)
C22A_1—H22D_1	0.9500	C37_3—H37_3	0.9500
C23A_1—C24A_1	1.381 (12)	C38_3—C39_3	1.413 (10)
C23A_1—H23D_1	0.9500	C38_3—C40_3	1.439 (10)
C24A_1—C25A_1	1.378 (12)	C39_3—O3_3	1.319 (9)
C24A_1—C26A_1	1.524 (13)	C40_3—H40_3	0.9500
C25A_1—H25D_1	0.9500	C14A_3—C15A_3	1.414 (13)
C26A_1—O1A_1	1.441 (13)	C14A_3—C19A_3	1.422 (12)
C26A_1—H26D_1	0.9900	C15A_3—C16A_3	1.385 (12)
C26A_1—H26E_1	0.9900	C15A_3—H15D_3	0.9500
O1A_1—C27A_1	1.422 (12)	C16A_3—F1A_3	1.367 (13)
C27A_1—C28A_1	1.523 (12)	C16A_3—C17A_3	1.379 (13)
C27A_1—H27D_1	0.9900	C17A_3—C18A_3	1.386 (12)
C27A_1—H27E_1	0.9900	C17A_3—H17D_3	0.9500
C28A_1—C29A_1	1.390 (12)	C18A_3—C19A_3	1.403 (12)
C28A_1—C33A_1	1.395 (12)	C18A_3—C20A_3	1.506 (13)
C29A_1—C30A_1	1.388 (12)	C19A_3—O2A_3	1.318 (13)
C29A_1—H29D_1	0.9500	C20A_3—C25A_3	1.383 (13)
C30A_1—C31A_1	1.369 (12)	C20A_3—C21A_3	1.392 (13)
C30A_1—H30D_1	0.9500	C21A_3—C22A_3	1.389 (13)
C31A_1—C32A_1	1.391 (12)	C21A_3—H21D_3	0.9500
C31A_1—H31D_1	0.9500	C22A_3—C23A_3	1.392 (13)
C32A_1—C33A_1	1.389 (12)	C22A_3—H22D_3	0.9500
C32A_1—C34A_1	1.505 (12)	C23A_3—C24A_3	1.386 (13)
C33A_1—H33D_1	0.9500	C23A_3—H23A_3	0.9500
C34A_1—C35A_1	1.394 (11)	C24A_3—C25A_3	1.392 (13)
C34A_1—C39A_1	1.419 (11)	C24A_3—C26A_3	1.523 (14)
C35A_1—C36A_1	1.383 (11)	C25A_3—H25D_3	0.9500
C35A_1—H35D_1	0.9500	C26A_3—O1A_3	1.405 (14)
C36A_1—F2A_1	1.350 (11)	C26A_3—H26D_3	0.9900
C36A_1—C37A_1	1.382 (11)	C26A_3—H26E_3	0.9900
C37A_1—C38A_1	1.411 (11)	O1A_3—C27A_3	1.428 (14)
C37A_1—H37D_1	0.9500	C27A_3—C28A_3	1.528 (14)
C38A_1—C39A_1	1.422 (11)	C27A_3—H27D_3	0.9900
C38A_1—C40A_1	1.432 (11)	C27A_3—H27E_3	0.9900
C39A_1—O3A_1	1.337 (12)	C28A_3—C29A_3	1.376 (13)
C40A_1—N3A_1	1.301 (13)	C28A_3—C33A_3	1.389 (13)
C40A_1—H40D_1	0.9500	C29A_3—C30A_3	1.377 (13)
C1B_1—C2B_1	1.396 (14)	C29A_3—H29D_3	0.9500
C1B_1—C6B_1	1.407 (14)	C30A_3—C31A_3	1.383 (13)
C1B_1—N1B_1	1.409 (15)	C30A_3—H30D_3	0.9500
C2B_1—C3B_1	1.394 (14)	C31A_3—C32A_3	1.381 (13)
C2B_1—C49B_1	1.446 (13)	C31A_3—H31D_3	0.9500
C3B_1—C4B_1	1.387 (15)	C32A_3—C33A_3	1.387 (13)
C3B_1—H3G_1	0.9500	C32A_3—C34A_3	1.499 (15)
C4B_1—C5B_1	1.400 (16)	C33A_3—H33D_3	0.9500
C4B_1—C64B_1	1.52 (4)	C34A_3—C35A_3	1.393 (12)
C5B_1—C6B_1	1.384 (15)	C34A_3—C39A_3	1.423 (11)
C5B_1—H5G_1	0.9500	C35A_3—C36A_3	1.384 (12)
C6B_1—C7B_1	1.49 (3)	C35A_3—H35D_3	0.9500
C47B_1—C52B_1	1.398 (15)	C36A_3—F2A_3	1.361 (12)
C47B_1—C48B_1	1.401 (14)	C36A_3—C37A_3	1.365 (11)
C48B_1—C49B_1	1.405 (14)	C37A_3—C38A_3	1.405 (12)
C48B_1—N1B_1	1.413 (14)	C37A_3—H37D_3	0.9500
C49B_1—C50B_1	1.394 (14)	C38A_3—C39A_3	1.405 (11)
C50B_1—C51B_1	1.386 (15)	C38A_3—C40A_3	1.439 (12)
C50B_1—H50G_1	0.9500	C39A_3—O3A_3	1.334 (13)
C51B_1—C52B_1	1.404 (15)	C40A_3—H40D_3	0.9500
C51B_1—C60B_1	1.54 (5)	C14B_3—C19B_3	1.387 (13)
C52B_1—H52G_1	0.9500	C14B_3—C15B_3	1.393 (13)
C64B_1—C66B_1	1.50 (2)	C15B_3—C16B_3	1.395 (13)
C64B_1—C67B_1	1.54 (2)	C15B_3—H15G_3	0.9500
C64B_1—C65B_1	1.56 (2)	C16B_3—F1B_3	1.366 (14)
C65B_1—H65G_1	0.9800	C16B_3—C17B_3	1.388 (13)
C65B_1—H65H_1	0.9800	C17B_3—C18B_3	1.401 (13)
C65B_1—H65I_1	0.9800	C17B_3—H17G_3	0.9500
C66B_1—H66G_1	0.9800	C18B_3—C19B_3	1.401 (13)
C66B_1—H66H_1	0.9800	C18B_3—C20B_3	1.515 (14)
C66B_1—H66I_1	0.9800	C19B_3—O2B_3	1.321 (14)
C67B_1—H67G_1	0.9800	C20B_3—C21B_3	1.385 (13)
C67B_1—H67H_1	0.9800	C20B_3—C25B_3	1.386 (13)
C67B_1—H67I_1	0.9800	C21B_3—C22B_3	1.380 (14)
C60B_1—C63B_1	1.520 (17)	C21B_3—H21G_3	0.9500
C60B_1—C62B_1	1.535 (17)	C22B_3—C23B_3	1.387 (14)
C60B_1—C61B_1	1.546 (17)	C22B_3—H22G_3	0.9500
C61B_1—H61G_1	0.9800	C23B_3—C24B_3	1.387 (14)
C61B_1—H61H_1	0.9800	C23B_3—H23G_3	0.9500
C61B_1—H61I_1	0.9800	C24B_3—C25B_3	1.387 (13)
C62B_1—H62G_1	0.9800	C24B_3—C26B_3	1.527 (15)
C62B_1—H62H_1	0.9800	C25B_3—H25G_3	0.9500
C62B_1—H62I_1	0.9800	C26B_3—O1B_3	1.431 (15)
C63B_1—H63G_1	0.9800	C26B_3—H26G_3	0.9900
C63B_1—H63H_1	0.9800	C26B_3—H26H_3	0.9900
C63B_1—H63I_1	0.9800	O1B_3—C27B_3	1.414 (15)
C7B_1—C8B_1	1.390 (14)	C27B_3—C28B_3	1.526 (15)
C7B_1—C12B_1	1.395 (14)	C27B_3—H27G_3	0.9900
C8B_1—C9B_1	1.389 (14)	C27B_3—H27H_3	0.9900
C8B_1—H8G_1	0.9500	C28B_3—C29B_3	1.384 (14)
C9B_1—C10B_1	1.387 (14)	C28B_3—C33B_3	1.394 (14)
C9B_1—H9G_1	0.9500	C29B_3—C30B_3	1.386 (14)
C10B_1—C11B_1	1.389 (14)	C29B_3—H29G_3	0.9500
C10B_1—N2B_1	1.448 (17)	C30B_3—C31B_3	1.381 (14)
C11B_1—C12B_1	1.390 (14)	C30B_3—H30G_3	0.9500
C11B_1—H11G_1	0.9500	C31B_3—C32B_3	1.385 (14)
C12B_1—H12G_1	0.9500	C31B_3—H31G_3	0.9500
C13B_1—N2B_1	1.296 (17)	C32B_3—C33B_3	1.383 (14)
C13B_1—C14B_1	1.433 (16)	C33B_3—H33G_3	0.9500
C13B_1—H13G_1	0.9500	C14C_3—C15C_3	1.401 (14)
C14B_1—C19B_1	1.398 (13)	C14C_3—C19C_3	1.412 (13)
C14B_1—C15B_1	1.401 (13)	C15C_3—C16C_3	1.388 (14)
C15B_1—C16B_1	1.386 (14)	C15C_3—H15J_3	0.9500
C15B_1—H15G_1	0.9500	C16C_3—F1C_3	1.363 (15)
C16B_1—F1B_1	1.363 (15)	C16C_3—C17C_3	1.391 (14)
C16B_1—C17B_1	1.391 (14)	C17C_3—C18C_3	1.397 (14)
C17B_1—C18B_1	1.393 (14)	C17C_3—H17J_3	0.9500
C17B_1—H17G_1	0.9500	C18C_3—C19C_3	1.403 (13)
C18B_1—C19B_1	1.398 (13)	C18C_3—C20C_3	1.510 (15)
C19B_1—O2B_1	1.310 (15)	C19C_3—O2C_3	1.321 (15)
C13C_1—N2C_1	1.298 (19)	C20C_3—C25C_3	1.385 (14)
C13C_1—C14C_1	1.436 (18)	C20C_3—C21C_3	1.390 (14)
C13C_1—H13J_1	0.9500	C21C_3—C22C_3	1.383 (14)
C14C_1—C15C_1	1.396 (14)	C21C_3—H21J_3	0.9500
C14C_1—C19C_1	1.397 (14)	C22C_3—C23C_3	1.382 (14)
C15C_1—C16C_1	1.393 (14)	C22C_3—H22J_3	0.9500
C15C_1—H15J_1	0.9500	C23C_3—C24C_3	1.388 (14)
C16C_1—F1C_1	1.359 (17)	C23C_3—H23J_3	0.9500
C16C_1—C17C_1	1.393 (14)	C24C_3—C25C_3	1.386 (14)
C17C_1—C18C_1	1.394 (14)	C24C_3—C26C_3	1.528 (15)
C17C_1—H17J_1	0.9500	C25C_3—H25J_3	0.9500
C18C_1—C19C_1	1.397 (14)	C26C_3—O1C_3	1.431 (16)
C18C_1—C20C_1	1.504 (18)	C26C_3—H26J_3	0.9900
C19C_1—O2C_1	1.315 (17)	C26C_3—H26K_3	0.9900
C20C_1—C21C_1	1.384 (14)	O1C_3—C27C_3	1.418 (15)
C20C_1—C25C_1	1.386 (14)	C27C_3—C28C_3	1.521 (15)
C21C_1—C22C_1	1.385 (14)	C27C_3—H27J_3	0.9900
C21C_1—H21J_1	0.9500	C27C_3—H27K_3	0.9900
C22C_1—C23C_1	1.386 (14)	C28C_3—C29C_3	1.387 (14)
C22C_1—H22J_1	0.9500	C28C_3—C33C_3	1.387 (14)
C23C_1—C24C_1	1.385 (14)	C29C_3—C30C_3	1.386 (14)
C23C_1—H23J_1	0.9500	C29C_3—H29J_3	0.9500
C24C_1—C25C_1	1.384 (14)	C30C_3—C31C_3	1.387 (14)
C24C_1—C26C_1	1.525 (15)	C30C_3—H30J_3	0.9500
C25C_1—H25J_1	0.9500	C31C_3—C32C_3	1.387 (14)
C26C_1—O1C_1	1.433 (17)	C31C_3—H31J_3	0.9500
C26C_1—H26J_1	0.9900	C32C_3—C33C_3	1.387 (14)
C26C_1—H26K_1	0.9900	C33C_3—H33J_3	0.9500
O1C_1—C27C_1	1.428 (17)	C20D_3—C21D_3	1.381 (14)
C27C_1—C28C_1	1.526 (15)	C20D_3—C25D_3	1.383 (14)
C27C_1—H27J_1	0.9900	C21D_3—C22D_3	1.385 (14)
C27C_1—H27K_1	0.9900	C21D_3—H21M_3	0.9500
C28C_1—C29C_1	1.387 (14)	C22D_3—C23D_3	1.387 (14)
C28C_1—C33C_1	1.387 (14)	C22D_3—H22M_3	0.9500
C29C_1—C30C_1	1.385 (14)	C23D_3—C24D_3	1.384 (14)
C29C_1—H29J_1	0.9500	C23D_3—H23M_3	0.9500
C30C_1—C31C_1	1.385 (14)	C24D_3—C25D_3	1.384 (14)
C30C_1—H30J_1	0.9500	C24D_3—C26D_3	1.521 (15)
C31C_1—C32C_1	1.386 (14)	C25D_3—H25M_3	0.9500
C31C_1—H31J_1	0.9500	C26D_3—O1D_3	1.430 (16)
C32C_1—C33C_1	1.385 (14)	C26D_3—H26M_3	0.9900
C32C_1—C34C_1	1.504 (18)	C26D_3—H26N_3	0.9900
C33C_1—H33J_1	0.9500	O1D_3—C27D_3	1.441 (17)
C34C_1—C35C_1	1.398 (14)	C27D_3—C28D_3	1.530 (15)
C34C_1—C39C_1	1.401 (14)	C27D_3—H27M_3	0.9900
C35C_1—C36C_1	1.396 (14)	C27D_3—H27N_3	0.9900
C35C_1—H35J_1	0.9500	C28D_3—C33D_3	1.384 (14)
C36C_1—F2C_1	1.346 (17)	C28D_3—C29D_3	1.386 (14)
C36C_1—C37C_1	1.396 (14)	C29D_3—C30D_3	1.386 (14)
C37C_1—C38C_1	1.400 (14)	C29D_3—H29M_3	0.9500
C37C_1—H37J_1	0.9500	C30D_3—C31D_3	1.388 (14)
C38C_1—C39C_1	1.403 (13)	C30D_3—H30M_3	0.9500
C38C_1—C40C_1	1.431 (16)	C31D_3—C32D_3	1.386 (14)
C39C_1—O3C_1	1.333 (17)	C31D_3—H31M_3	0.9500
C40C_1—N3C_1	1.295 (18)	C32D_3—C33D_3	1.388 (14)
C40C_1—H40J_1	0.9500	C33D_3—H33M_3	0.9500
C34D_1—C35D_1	1.383 (13)	C41_3—C42_3	1.386 (6)
C34D_1—C39D_1	1.410 (13)	C41_3—C46_3	1.398 (7)
C35D_1—C36D_1	1.388 (12)	C42_3—C43_3	1.383 (6)
C35D_1—H35M_1	0.9500	C42_3—H42_3	0.9500
C36D_1—F2D_1	1.355 (13)	C43_3—C44_3	1.397 (7)
C36D_1—C37D_1	1.388 (12)	C43_3—H43_3	0.9500
C37D_1—C38D_1	1.400 (13)	C44_3—C45_3	1.389 (6)
C37D_1—H37M_1	0.9500	C44_3—C47_3	1.485 (6)
C38D_1—C39D_1	1.410 (12)	C45_3—C46_3	1.377 (6)
C38D_1—C40D_1	1.424 (14)	C45_3—H45_3	0.9500
C39D_1—O3D_1	1.323 (14)	C46_3—H46_3	0.9500
C40D_1—N3D_1	1.300 (15)	C47_3—C52_3	1.386 (6)
C40D_1—H40M_1	0.9500	C47_3—C48_3	1.412 (6)
N01A_1—C01A_1	1.1551 (19)	C48_3—C49_3	1.393 (6)
C01A_1—C01B_1	1.462 (2)	C49_3—C50_3	1.397 (6)
C01B_1—H1ZA_1	0.9800	C50_3—C51_3	1.397 (6)
C01B_1—H1ZB_1	0.9800	C50_3—H50_3	0.9500
C01B_1—H1ZC_1	0.9800	C51_3—C52_3	1.402 (7)
C04A_1—Cl02_1	1.760 (2)	C51_3—C60_3	1.539 (6)
C04A_1—Cl01_1	1.760 (2)	C52_3—H52_3	0.9500
C04A_1—H4ZA_1	0.9900	C53_3—C54_3	1.535 (6)
C04A_1—H4ZB_1	0.9900	C53_3—H53A_3	0.9900
F1_2—C16_2	1.363 (5)	C53_3—H53B_3	0.9900
O2_2—C19_2	1.304 (5)	C54_3—C55_3	1.521 (6)
O2_2—Fe3_2	1.910 (3)	C54_3—H54A_3	0.9900
N2_2—C13_2	1.294 (6)	C54_3—H54B_3	0.9900
N2_2—C10_2	1.426 (5)	C55_3—C56_3	1.502 (7)
N2_2—Fe3_2	2.065 (4)	C55_3—C56A_3	1.52 (2)
Fe3_2—O7_2	1.951 (10)	C55_3—H55A_3	0.9900
Fe3_2—O5_2	1.962 (3)	C55_3—H55B_3	0.9900
Fe3_2—O7A_2	2.04 (5)	C55_3—H55D_3	0.9900
N3_2—C40_2	1.281 (6)	C55_3—H55E_3	0.9900
N3_2—C41_2	1.437 (5)	C56_3—C57_3	1.518 (7)
N3_2—Fe4_2	2.151 (4)	C56_3—H56A_3	0.9900
Fe4_2—O3A_2	1.89 (3)	C56_3—H56B_3	0.9900
Fe4_2—O3_2	1.936 (18)	C57_3—C58_3	1.505 (7)
Fe4_2—O4_2	2.001 (3)	C57_3—H57A_3	0.9900
Fe4_2—O6_2	2.015 (11)	C57_3—H57B_3	0.9900
Fe4_2—O3B_2	2.06 (3)	C56A_3—C57A_3	1.51 (2)
Fe4_2—O6A_2	2.07 (5)	C56A_3—H56D_3	0.9900
Fe4_2—N02A_3	2.259 (4)	C56A_3—H56E_3	0.9900
O4_2—C59_2	1.273 (6)	C57A_3—C58_3	1.42 (2)
O5_2—C59_2	1.238 (6)	C57A_3—H57D_3	0.9900
C1_2—C6_2	1.400 (5)	C57A_3—H57E_3	0.9900
C1_2—N1_2	1.407 (5)	C58_3—C59_3	1.508 (7)
C1_2—C2_2	1.408 (5)	C58_3—H58A_3	0.9900
C2_2—C3_2	1.383 (5)	C58_3—H58B_3	0.9900
C2_2—C49_2	1.449 (5)	C58_3—H58D_3	0.9900
C3_2—C4_2	1.398 (6)	C58_3—H58E_3	0.9900
C3_2—H3_2	0.9500	C60_3—C63_3	1.516 (8)
C4_2—C5_2	1.403 (6)	C60_3—C61_3	1.520 (8)
C4_2—C64_2	1.523 (6)	C60_3—C62_3	1.533 (9)
C5_2—C6_2	1.393 (6)	C61_3—H61A_3	0.9800
C5_2—H5_2	0.9500	C61_3—H61B_3	0.9800
C6_2—C7_2	1.483 (6)	C61_3—H61C_3	0.9800
C47_2—C52_2	1.398 (5)	C62_3—H62A_3	0.9800
C47_2—C48_2	1.400 (5)	C62_3—H62B_3	0.9800
C47_2—C44_2	1.489 (6)	C62_3—H62C_3	0.9800
C48_2—C49_2	1.397 (5)	C63_3—H63A_3	0.9800
C48_2—N1_2	1.415 (5)	C63_3—H63B_3	0.9800
C49_2—C50_2	1.403 (5)	C63_3—H63C_3	0.9800
C50_2—C51_2	1.386 (6)	C64_3—C66_3	1.515 (11)
C50_2—H50_2	0.9500	C64_3—C65A_3	1.525 (12)
C51_2—C52_2	1.401 (6)	C64_3—C65_3	1.533 (11)
C51_2—C60_2	1.533 (6)	C64_3—C67B_3	1.536 (16)
C52_2—H52_2	0.9500	C64_3—C67_3	1.539 (11)
N1_2—C53_2	1.482 (5)	C64_3—C65B_3	1.540 (15)
C7_2—C8_2	1.390 (6)	C64_3—C66A_3	1.541 (12)
C7_2—C12_2	1.400 (6)	C64_3—C67A_3	1.542 (11)
C8_2—C9_2	1.393 (6)	C64_3—C66B_3	1.549 (15)
C8_2—H8_2	0.9500	C65_3—H65A_3	0.9800
C9_2—C10_2	1.389 (6)	C65_3—H65B_3	0.9800
C9_2—H9_2	0.9500	C65_3—H65C_3	0.9800
C10_2—C11_2	1.392 (6)	C66_3—H66A_3	0.9800
C11_2—C12_2	1.376 (6)	C66_3—H66B_3	0.9800
C11_2—H11_2	0.9500	C66_3—H66C_3	0.9800
C12_2—H12_2	0.9500	C67_3—H67A_3	0.9800
C13_2—C14_2	1.435 (6)	C67_3—H67B_3	0.9800
C13_2—H13_2	0.9500	C67_3—H67C_3	0.9800
C14_2—C15_2	1.412 (6)	C65A_3—H65D_3	0.9800
C14_2—C19_2	1.417 (6)	C65A_3—H65E_3	0.9800
C15_2—C16_2	1.369 (6)	C65A_3—H65F_3	0.9800
C15_2—H15_2	0.9500	C66A_3—H66D_3	0.9800
C16_2—C17_2	1.383 (7)	C66A_3—H66E_3	0.9800
C17_2—C18_2	1.374 (7)	C66A_3—H66F_3	0.9800
C17_2—H17_2	0.9500	C67A_3—H67D_3	0.9800
C18_2—C19_2	1.438 (6)	C67A_3—H67E_3	0.9800
C18_2—C20_2	1.471 (10)	C67A_3—H67F_3	0.9800
C18_2—C20A_2	1.497 (14)	C65B_3—H65G_3	0.9800
C18_2—C20B_2	1.500 (16)	C65B_3—H65H_3	0.9800
C20_2—C25_2	1.390 (10)	C65B_3—H65I_3	0.9800
C20_2—C21_2	1.390 (10)	C66B_3—H66G_3	0.9800
C21_2—C22_2	1.380 (10)	C66B_3—H66H_3	0.9800
C21_2—H21_2	0.9500	C66B_3—H66I_3	0.9800
C22_2—C23_2	1.394 (10)	C67B_3—H67G_3	0.9800
C22_2—H22_2	0.9500	C67B_3—H67H_3	0.9800
C23_2—C24_2	1.399 (10)	C67B_3—H67I_3	0.9800
C23_2—H23_2	0.9500	C68_3—C69_3	1.503 (6)
C24_2—C25_2	1.394 (10)	C69_3—C70_3	1.401 (6)
C24_2—C26_2	1.502 (10)	C69_3—C82_3	1.416 (6)
C25_2—H25_2	0.9500	C70_3—C71_3	1.420 (6)
C26_2—O1_2	1.415 (10)	C70_3—C75_3	1.428 (7)
C26_2—H26A_2	0.9900	C71_3—C72_3	1.358 (7)
C26_2—H26B_2	0.9900	C71_3—H71_3	0.9500
O1_2—C27_2	1.446 (11)	C72_3—C73_3	1.418 (9)
C27_2—C28_2	1.495 (11)	C72_3—H72_3	0.9500
C27_2—H27A_2	0.9900	C73_3—C74_3	1.345 (9)
C27_2—H27B_2	0.9900	C73_3—H73_3	0.9500
C28_2—C33_2	1.378 (10)	C74_3—C75_3	1.426 (7)
C28_2—C29_2	1.398 (10)	C74_3—H74_3	0.9500
C29_2—C30_2	1.376 (11)	C75_3—C76_3	1.380 (7)
C29_2—H29_2	0.9500	C76_3—C77_3	1.387 (7)
C30_2—C31_2	1.367 (10)	C76_3—H76_3	0.9500
C30_2—H30_2	0.9500	C77_3—C78_3	1.431 (7)
C31_2—C32_2	1.397 (10)	C77_3—C82_3	1.433 (6)
C31_2—H31_2	0.9500	C78_3—C79_3	1.342 (7)
C32_2—C33_2	1.373 (10)	C78_3—H78_3	0.9500
C32_2—C34_2	1.480 (10)	C79_3—C80_3	1.418 (7)
C33_2—H33_2	0.9500	C79_3—H79_3	0.9500
C34_2—C35_2	1.386 (10)	C80_3—C81_3	1.359 (6)
C34_2—C39_2	1.437 (9)	C80_3—H80_3	0.9500
C35_2—C36_2	1.380 (10)	C81_3—C82_3	1.417 (6)
C35_2—H35_2	0.9500	C81_3—H81_3	0.9500
C36_2—F2_2	1.364 (9)	O8_3—HO1_3	0.837 (10)
C36_2—C37_2	1.377 (10)	O8_3—HO2_3	0.857 (10)
C37_2—C38_2	1.404 (10)	N03A_3—C03A_3	1.167 (9)
C37_2—H37_2	0.9500	C03A_3—C03B_3	1.484 (10)
C38_2—C39_2	1.408 (10)	C03B_3—H3ZA_3	0.9800
C38_2—C40_2	1.445 (13)	C03B_3—H3ZB_3	0.9800
C39_2—O3_2	1.304 (9)	C03B_3—H3ZC_3	0.9800
C20A_2—C21A_2	1.395 (13)	N02A_3—C02A_3	1.138 (6)
C20A_2—C25A_2	1.398 (13)	C02A_3—C02B_3	1.443 (7)
C21A_2—C22A_2	1.394 (13)	C02B_3—H2ZA_3	0.9800
C21A_2—H21D_2	0.9500	C02B_3—H2ZB_3	0.9800
C22A_2—C23A_2	1.395 (13)	C02B_3—H2ZC_3	0.9800
C22A_2—H22D_2	0.9500
O3D_1—Fe1_1—O4_1	126.7 (15)	C24A_2—C23A_2—H23D_2	119.4
O3_1—Fe1_1—O4_1	120.0 (16)	C22A_2—C23A_2—H23D_2	119.4
O3C_1—Fe1_1—O4_1	116 (6)	C23A_2—C24A_2—C25A_2	118.1 (13)
O4_1—Fe1_1—O3A_1	122.0 (11)	C23A_2—C24A_2—C26A_2	121.4 (13)
O3D_1—Fe1_1—O6_1	109.6 (15)	C25A_2—C24A_2—C26A_2	120.5 (13)
O3_1—Fe1_1—O6_1	116.3 (16)	C20A_2—C25A_2—C24A_2	121.7 (13)
O3C_1—Fe1_1—O6_1	121 (6)	C20A_2—C25A_2—H25D_2	119.2
O4_1—Fe1_1—O6_1	118.30 (16)	C24A_2—C25A_2—H25D_2	119.2
O3A_1—Fe1_1—O6_1	115.6 (12)	O1A_2—C26A_2—C24A_2	112.4 (15)
O3_1—Fe1_1—N3_1	90.7 (8)	O1A_2—C26A_2—H26D_2	109.1
O4_1—Fe1_1—N3_1	100.3 (16)	C24A_2—C26A_2—H26D_2	109.1
O6_1—Fe1_1—N3_1	102.1 (19)	O1A_2—C26A_2—H26E_2	109.1
O3D_1—Fe1_1—N3D_1	90.7 (9)	C24A_2—C26A_2—H26E_2	109.1
O4_1—Fe1_1—N3D_1	101.0 (19)	H26D_2—C26A_2—H26E_2	107.9
O6_1—Fe1_1—N3D_1	101 (2)	C27A_2—O1A_2—C26A_2	114.4 (13)
O3C_1—Fe1_1—N3C_1	88 (2)	O1A_2—C27A_2—C28A_2	114.8 (14)
O4_1—Fe1_1—N3C_1	99.5 (9)	O1A_2—C27A_2—H27D_2	108.6
O6_1—Fe1_1—N3C_1	103.4 (8)	C28A_2—C27A_2—H27D_2	108.6
O4_1—Fe1_1—N3A_1	100.1 (14)	O1A_2—C27A_2—H27E_2	108.6
O3A_1—Fe1_1—N3A_1	86.8 (7)	C28A_2—C27A_2—H27E_2	108.6
O6_1—Fe1_1—N3A_1	103.1 (16)	H27D_2—C27A_2—H27E_2	107.5
O4_1—Fe1_1—Cl02_1	85.5 (5)	C33A_2—C28A_2—C29A_2	119.3 (14)
O3A_1—Fe1_1—Cl02_1	81.9 (7)	C33A_2—C28A_2—C27A_2	123.8 (14)
O6_1—Fe1_1—Cl02_1	82.3 (5)	C29A_2—C28A_2—C27A_2	116.9 (14)
N3A_1—Fe1_1—Cl02_1	168.8 (6)	C30A_2—C29A_2—C28A_2	120.4 (15)
N2C_1—Fe2_1—O2C_1	100 (3)	C30A_2—C29A_2—H29D_2	119.8
O2B_1—Fe2_1—N2B_1	97.1 (11)	C28A_2—C29A_2—H29D_2	119.8
N2C_1—Fe2_1—O7_1	92 (7)	C29A_2—C30A_2—C31A_2	120.1 (16)
O2C_1—Fe2_1—O7_1	120 (5)	C29A_2—C30A_2—H30D_2	119.9
O2B_1—Fe2_1—O7_1	118.4 (16)	C31A_2—C30A_2—H30D_2	119.9
N2B_1—Fe2_1—O7_1	104.9 (18)	C30A_2—C31A_2—C32A_2	119.9 (15)
O2_1—Fe2_1—O7_1	124.3 (5)	C30A_2—C31A_2—H31D_2	120.0
N2C_1—Fe2_1—O5_1	100 (6)	C32A_2—C31A_2—H31D_2	120.0
O2C_1—Fe2_1—O5_1	120 (5)	C33A_2—C32A_2—C31A_2	119.6 (14)
O2B_1—Fe2_1—O5_1	120.1 (16)	C33A_2—C32A_2—C34A_2	123.0 (14)
N2B_1—Fe2_1—O5_1	93.4 (17)	C31A_2—C32A_2—C34A_2	117.2 (14)
O2_1—Fe2_1—O5_1	118.9 (6)	C32A_2—C33A_2—C28A_2	120.5 (14)
O7_1—Fe2_1—O5_1	115.16 (16)	C32A_2—C33A_2—H33D_2	119.7
O7_1—Fe2_1—O2A_1	117.2 (16)	C28A_2—C33A_2—H33D_2	119.7
O5_1—Fe2_1—O2A_1	124.1 (17)	C35A_2—C34A_2—C39A_2	118.7 (13)
O7_1—Fe2_1—N2A_1	104 (2)	C35A_2—C34A_2—C32A_2	117.4 (14)
O5_1—Fe2_1—N2A_1	98 (2)	C39A_2—C34A_2—C32A_2	123.8 (14)
O2A_1—Fe2_1—N2A_1	87.5 (11)	C36A_2—C35A_2—C34A_2	120.8 (13)
O2_1—Fe2_1—N2_1	86.2 (4)	C36A_2—C35A_2—H35D_2	119.6
O7_1—Fe2_1—N2_1	99.4 (6)	C34A_2—C35A_2—H35D_2	119.6
O5_1—Fe2_1—N2_1	97.6 (6)	F2A_2—C36A_2—C35A_2	120.1 (16)
O2_1—Fe2_1—N01A_1	88.9 (4)	F2A_2—C36A_2—C37A_2	118.2 (16)
O7_1—Fe2_1—N01A_1	85.62 (19)	C35A_2—C36A_2—C37A_2	121.6 (14)
O5_1—Fe2_1—N01A_1	82.4 (2)	C36A_2—C37A_2—C38A_2	118.5 (14)
N2_1—Fe2_1—N01A_1	174.4 (4)	C36A_2—C37A_2—H37D_2	120.8
C59_1—O4_1—Fe1_1	146.2 (3)	C38A_2—C37A_2—H37D_2	120.8
C59_1—O5_1—Fe2_1	137.9 (4)	C37A_2—C38A_2—C39A_2	120.2 (14)
C68_1—O6_1—Fe1_1	137.3 (3)	C37A_2—C38A_2—C40_2	112.6 (17)
C68_1—O7_1—Fe2_1	145.0 (3)	C39A_2—C38A_2—C40_2	127.0 (17)
C42_1—C41_1—C46_1	119.8 (4)	O3A_2—C39A_2—C38A_2	121.3 (18)
C42_1—C41_1—N3C_1	120.3 (9)	O3A_2—C39A_2—C34A_2	118.7 (17)
C46_1—C41_1—N3C_1	120.0 (9)	C38A_2—C39A_2—C34A_2	120.0 (13)
C42_1—C41_1—N3D_1	117 (3)	C39A_2—O3A_2—Fe4_2	133 (3)
C46_1—C41_1—N3D_1	123 (3)	C25B_2—C20B_2—C21B_2	118.1 (15)
C42_1—C41_1—N3_1	118 (2)	C25B_2—C20B_2—C18_2	121 (2)
C46_1—C41_1—N3_1	122 (2)	C21B_2—C20B_2—C18_2	121 (3)
C42_1—C41_1—N3A_1	120 (2)	C22B_2—C21B_2—C20B_2	120.9 (16)
C46_1—C41_1—N3A_1	120 (2)	C22B_2—C21B_2—H21G_2	119.5
C43_1—C42_1—C41_1	120.1 (4)	C20B_2—C21B_2—H21G_2	119.5
C43_1—C42_1—H42_1	120.0	C21B_2—C22B_2—C23B_2	120.1 (16)
C41_1—C42_1—H42_1	120.0	C21B_2—C22B_2—H22G_2	120.0
C42_1—C43_1—C44_1	121.1 (4)	C23B_2—C22B_2—H22G_2	120.0
C42_1—C43_1—H43_1	119.4	C22B_2—C23B_2—C24B_2	120.6 (16)
C44_1—C43_1—H43_1	119.4	C22B_2—C23B_2—H23G_2	119.7
C45_1—C44_1—C43_1	118.1 (4)	C24B_2—C23B_2—H23G_2	119.7
C45_1—C44_1—C47_1	120.1 (7)	C23B_2—C24B_2—C25B_2	118.4 (15)
C43_1—C44_1—C47_1	121.5 (7)	C23B_2—C24B_2—C26B_2	121.0 (16)
C45_1—C44_1—C47A_1	127.0 (14)	C25B_2—C24B_2—C26B_2	120.6 (17)
C43_1—C44_1—C47A_1	114.8 (14)	C20B_2—C25B_2—C24B_2	121.9 (15)
C45_1—C44_1—C47B_1	123 (2)	C20B_2—C25B_2—H25G_2	119.0
C43_1—C44_1—C47B_1	119 (2)	C24B_2—C25B_2—H25G_2	119.0
C46_1—C45_1—C44_1	121.1 (4)	O1B_2—C26B_2—C24B_2	112.3 (19)
C46_1—C45_1—H45_1	119.4	O1B_2—C26B_2—H26G_2	109.1
C44_1—C45_1—H45_1	119.4	C24B_2—C26B_2—H26G_2	109.1
C45_1—C46_1—C41_1	119.7 (4)	O1B_2—C26B_2—H26H_2	109.1
C45_1—C46_1—H46_1	120.1	C24B_2—C26B_2—H26H_2	109.1
C41_1—C46_1—H46_1	120.1	H26G_2—C26B_2—H26H_2	107.9
O6_1—C68_1—O7_1	126.4 (5)	C26B_2—O1B_2—C27B_2	114 (2)
O6_1—C68_1—C69_1	117.6 (4)	O1B_2—C27B_2—C28B_2	115.2 (19)
O7_1—C68_1—C69_1	116.1 (4)	O1B_2—C27B_2—H27G_2	108.5
C70_1—C69_1—C82_1	121.2 (4)	C28B_2—C27B_2—H27G_2	108.5
C70_1—C69_1—C68_1	120.4 (4)	O1B_2—C27B_2—H27H_2	108.5
C82_1—C69_1—C68_1	118.4 (4)	C28B_2—C27B_2—H27H_2	108.5
C69_1—C70_1—C75_1	119.0 (4)	H27G_2—C27B_2—H27H_2	107.5
C69_1—C70_1—C71_1	121.8 (4)	C33B_2—C28B_2—C29B_2	118.2 (15)
C75_1—C70_1—C71_1	119.2 (4)	C33B_2—C28B_2—C27B_2	119.5 (17)
C72_1—C71_1—C70_1	119.9 (5)	C29B_2—C28B_2—C27B_2	122.3 (17)
C72_1—C71_1—H71_1	120.1	C30B_2—C29B_2—C28B_2	120.8 (16)
C70_1—C71_1—H71_1	120.1	C30B_2—C29B_2—H29G_2	119.6
C71_1—C72_1—C73_1	121.3 (5)	C28B_2—C29B_2—H29G_2	119.6
C71_1—C72_1—H72_1	119.4	C31B_2—C30B_2—C29B_2	120.4 (16)
C73_1—C72_1—H72_1	119.4	C31B_2—C30B_2—H30G_2	119.8
C74_1—C73_1—C72_1	120.6 (5)	C29B_2—C30B_2—H30G_2	119.8
C74_1—C73_1—H73_1	119.7	C30B_2—C31B_2—C32B_2	119.2 (16)
C72_1—C73_1—H73_1	119.7	C30B_2—C31B_2—H31G_2	120.4
C73_1—C74_1—C75_1	121.3 (5)	C32B_2—C31B_2—H31G_2	120.4
C73_1—C74_1—H74_1	119.3	C33B_2—C32B_2—C31B_2	120.2 (15)
C75_1—C74_1—H74_1	119.3	C33B_2—C32B_2—C34B_2	121.2 (14)
C76_1—C75_1—C70_1	119.8 (5)	C31B_2—C32B_2—C34B_2	118.6 (14)
C76_1—C75_1—C74_1	122.4 (5)	C32B_2—C33B_2—C28B_2	121.3 (16)
C70_1—C75_1—C74_1	117.7 (5)	C32B_2—C33B_2—H33G_2	119.4
C75_1—C76_1—C77_1	122.1 (5)	C28B_2—C33B_2—H33G_2	119.4
C75_1—C76_1—H76_1	118.9	C35B_2—C34B_2—C39B_2	120.5 (14)
C77_1—C76_1—H76_1	118.9	C35B_2—C34B_2—C32B_2	119.6 (14)
C76_1—C77_1—C78_1	123.0 (5)	C39B_2—C34B_2—C32B_2	120.0 (14)
C76_1—C77_1—C82_1	118.8 (5)	C36B_2—C35B_2—C34B_2	120.2 (15)
C78_1—C77_1—C82_1	118.2 (5)	C36B_2—C35B_2—H35G_2	119.9
C79_1—C78_1—C77_1	120.9 (5)	C34B_2—C35B_2—H35G_2	119.9
C79_1—C78_1—H78_1	119.6	F2B_2—C36B_2—C37B_2	120.8 (17)
C77_1—C78_1—H78_1	119.6	F2B_2—C36B_2—C35B_2	118.7 (17)
C78_1—C79_1—C80_1	120.4 (5)	C37B_2—C36B_2—C35B_2	120.3 (15)
C78_1—C79_1—H79_1	119.8	C36B_2—C37B_2—C38B_2	119.6 (16)
C80_1—C79_1—H79_1	119.8	C36B_2—C37B_2—H37G_2	120.2
C81_1—C80_1—C79_1	121.3 (5)	C38B_2—C37B_2—H37G_2	120.2
C81_1—C80_1—H80_1	119.3	C37B_2—C38B_2—C39B_2	120.9 (15)
C79_1—C80_1—H80_1	119.3	C37B_2—C38B_2—C40_2	120.9 (18)
C80_1—C81_1—C82_1	120.7 (5)	C39B_2—C38B_2—C40_2	117.8 (17)
C80_1—C81_1—H81_1	119.7	O3B_2—C39B_2—C38B_2	121.7 (17)
C82_1—C81_1—H81_1	119.7	O3B_2—C39B_2—C34B_2	119.9 (17)
C69_1—C82_1—C81_1	122.5 (4)	C38B_2—C39B_2—C34B_2	118.4 (14)
C69_1—C82_1—C77_1	119.0 (4)	C39B_2—O3B_2—Fe4_2	138 (2)
C81_1—C82_1—C77_1	118.5 (4)	N3_2—C40_2—C38B_2	134.3 (12)
N1_1—C53_1—C54_1	113 (2)	N3_2—C40_2—C38_2	127.5 (7)
N1A_1—C53_1—C54B_1	109 (4)	N3_2—C40_2—C38A_2	123.0 (12)
N1_1—C53_1—H53A_1	108.9	N3_2—C40_2—H40_2	116.2
C54_1—C53_1—H53A_1	108.9	C38_2—C40_2—H40_2	116.2
N1_1—C53_1—H53B_1	108.9	C46_2—C41_2—C42_2	119.5 (4)
C54_1—C53_1—H53B_1	108.9	C46_2—C41_2—N3_2	121.4 (4)
H53A_1—C53_1—H53B_1	107.7	C42_2—C41_2—N3_2	119.1 (4)
N1A_1—C53_1—H53D_1	109.9	C43_2—C42_2—C41_2	119.1 (4)
C54B_1—C53_1—H53D_1	109.9	C43_2—C42_2—H42_2	120.4
N1A_1—C53_1—H53E_1	109.9	C41_2—C42_2—H42_2	120.4
C54B_1—C53_1—H53E_1	109.9	C42_2—C43_2—C44_2	122.2 (4)
H53D_1—C53_1—H53E_1	108.3	C42_2—C43_2—H43_2	118.9
C53_1—C54_1—C55_1	110.2 (5)	C44_2—C43_2—H43_2	118.9
C53_1—C54_1—H54A_1	109.6	C43_2—C44_2—C45_2	117.8 (4)
C55_1—C54_1—H54A_1	109.6	C43_2—C44_2—C47_2	121.0 (4)
C53_1—C54_1—H54B_1	109.6	C45_2—C44_2—C47_2	121.0 (4)
C55_1—C54_1—H54B_1	109.6	C46_2—C45_2—C44_2	120.4 (4)
H54A_1—C54_1—H54B_1	108.1	C46_2—C45_2—H45_2	119.8
C56_1—C55_1—C54_1	111.9 (6)	C44_2—C45_2—H45_2	119.8
C56_1—C55_1—H55A_1	109.2	C41_2—C46_2—C45_2	120.8 (4)
C54_1—C55_1—H55A_1	109.2	C41_2—C46_2—H46_2	119.6
C56_1—C55_1—H55B_1	109.2	C45_2—C46_2—H46_2	119.6
C54_1—C55_1—H55B_1	109.2	N1_2—C53_2—C54A_2	118.2 (7)
H55A_1—C55_1—H55B_1	107.9	N1_2—C53_2—C54_2	109.9 (6)
C55_1—C56_1—C57_1	116.1 (7)	N1_2—C53_2—H53A_2	109.7
C55_1—C56_1—H56A_1	108.3	C54_2—C53_2—H53A_2	109.7
C57_1—C56_1—H56A_1	108.3	N1_2—C53_2—H53B_2	109.7
C55_1—C56_1—H56B_1	108.3	C54_2—C53_2—H53B_2	109.7
C57_1—C56_1—H56B_1	108.3	H53A_2—C53_2—H53B_2	108.2
H56A_1—C56_1—H56B_1	107.4	N1_2—C53_2—H53E_2	107.8
C58_1—C57_1—C56B_1	120.8 (13)	C54A_2—C53_2—H53E_2	107.8
C58_1—C57_1—C56_1	113.9 (6)	N1_2—C53_2—H53F_2	107.8
C58_1—C57_1—H57A_1	108.8	C54A_2—C53_2—H53F_2	107.8
C56_1—C57_1—H57A_1	108.8	H53E_2—C53_2—H53F_2	107.1
C58_1—C57_1—H57B_1	108.8	C53_2—C54_2—C55_2	109.9 (8)
C56_1—C57_1—H57B_1	108.8	C53_2—C54_2—H54A_2	109.7
H57A_1—C57_1—H57B_1	107.7	C55_2—C54_2—H54A_2	109.7
C58_1—C57_1—H57D_1	107.1	C53_2—C54_2—H54B_2	109.7
C56B_1—C57_1—H57D_1	107.1	C55_2—C54_2—H54B_2	109.7
C58_1—C57_1—H57E_1	107.1	H54A_2—C54_2—H54B_2	108.2
C56B_1—C57_1—H57E_1	107.1	C56_2—C55_2—C54_2	112.5 (8)
H57D_1—C57_1—H57E_1	106.8	C56_2—C55_2—H55A_2	109.1
C57_1—C58_1—C59_1	114.7 (5)	C54_2—C55_2—H55A_2	109.1
C57_1—C58_1—H58A_1	108.6	C56_2—C55_2—H55B_2	109.1
C59_1—C58_1—H58A_1	108.6	C54_2—C55_2—H55B_2	109.1
C57_1—C58_1—H58B_1	108.6	H55A_2—C55_2—H55B_2	107.8
C59_1—C58_1—H58B_1	108.6	C53_2—C54A_2—C55A_2	113.2 (11)
H58A_1—C58_1—H58B_1	107.6	C53_2—C54A_2—H54D_2	108.9
O5_1—C59_1—O4_1	125.1 (5)	C55A_2—C54A_2—H54D_2	108.9
O5_1—C59_1—C58_1	116.8 (5)	C53_2—C54A_2—H54E_2	108.9
O4_1—C59_1—C58_1	118.0 (5)	C55A_2—C54A_2—H54E_2	108.9
C55B_1—C54B_1—C53_1	113.7 (14)	H54D_2—C54A_2—H54E_2	107.8
C55B_1—C54B_1—H54D_1	108.8	C54A_2—C55A_2—C56_2	111.9 (11)
C53_1—C54B_1—H54D_1	108.8	C54A_2—C55A_2—H55D_2	109.2
C55B_1—C54B_1—H54E_1	108.8	C56_2—C55A_2—H55D_2	109.2
C53_1—C54B_1—H54E_1	108.8	C54A_2—C55A_2—H55E_2	109.2
H54D_1—C54B_1—H54E_1	107.7	C56_2—C55A_2—H55E_2	109.2
C54B_1—C55B_1—C56B_1	117.3 (17)	H55D_2—C55A_2—H55E_2	107.9
C54B_1—C55B_1—H55D_1	108.0	C55_2—C56_2—C57_2	118.6 (7)
C56B_1—C55B_1—H55D_1	108.0	C57_2—C56_2—C55A_2	109.1 (7)
C54B_1—C55B_1—H55E_1	108.0	C55_2—C56_2—H56A_2	107.7
C56B_1—C55B_1—H55E_1	108.0	C57_2—C56_2—H56A_2	107.7
H55D_1—C55B_1—H55E_1	107.2	C55_2—C56_2—H56B_2	107.7
C55B_1—C56B_1—C57_1	109.1 (17)	C57_2—C56_2—H56B_2	107.7
C55B_1—C56B_1—H56D_1	109.9	H56A_2—C56_2—H56B_2	107.1
C57_1—C56B_1—H56D_1	109.9	C57_2—C56_2—H56D_2	109.9
C55B_1—C56B_1—H56E_1	109.9	C55A_2—C56_2—H56D_2	109.9
C57_1—C56B_1—H56E_1	109.9	C57_2—C56_2—H56E_2	109.9
H56D_1—C56B_1—H56E_1	108.3	C55A_2—C56_2—H56E_2	109.9
C2_1—C1_1—N1_1	110.9 (7)	H56D_2—C56_2—H56E_2	108.3
C2_1—C1_1—C6_1	120.6 (7)	C56_2—C57_2—C58_2	113.8 (4)
N1_1—C1_1—C6_1	128.6 (8)	C56_2—C57_2—H57A_2	108.8
C3_1—C2_1—C1_1	121.7 (7)	C58_2—C57_2—H57A_2	108.8
C3_1—C2_1—C49_1	131.6 (7)	C56_2—C57_2—H57B_2	108.8
C1_1—C2_1—C49_1	106.8 (6)	C58_2—C57_2—H57B_2	108.8
C2_1—C3_1—C4_1	119.4 (7)	H57A_2—C57_2—H57B_2	107.7
C2_1—C3_1—H3_1	120.3	C59_2—C58_2—C57_2	113.8 (4)
C4_1—C3_1—H3_1	120.3	C59_2—C58_2—H58A_2	108.8
C3_1—C4_1—C5_1	118.2 (8)	C57_2—C58_2—H58A_2	108.8
C3_1—C4_1—C64_1	121.4 (8)	C59_2—C58_2—H58B_2	108.8
C5_1—C4_1—C64_1	120.2 (8)	C57_2—C58_2—H58B_2	108.8
C6_1—C5_1—C4_1	124.3 (8)	H58A_2—C58_2—H58B_2	107.7
C6_1—C5_1—H5_1	117.8	O5_2—C59_2—O4_2	124.6 (4)
C4_1—C5_1—H5_1	117.8	O5_2—C59_2—C58_2	117.2 (4)
C5_1—C6_1—C1_1	115.8 (8)	O4_2—C59_2—C58_2	118.2 (4)
C5_1—C6_1—C7_1	123.2 (8)	C63_2—C60_2—C51_2	111.9 (3)
C1_1—C6_1—C7_1	120.7 (8)	C63_2—C60_2—C61_2	108.0 (4)
C52_1—C47_1—C48_1	116.9 (8)	C51_2—C60_2—C61_2	110.4 (4)
C52_1—C47_1—C44_1	120.6 (9)	C63_2—C60_2—C62_2	108.4 (4)
C48_1—C47_1—C44_1	122.0 (9)	C51_2—C60_2—C62_2	109.5 (4)
C47_1—C48_1—C49_1	120.5 (8)	C61_2—C60_2—C62_2	108.6 (4)
C47_1—C48_1—N1_1	129.3 (9)	C60_2—C61_2—H61A_2	109.5
C49_1—C48_1—N1_1	110.1 (7)	C60_2—C61_2—H61B_2	109.5
C50_1—C49_1—C48_1	120.3 (8)	H61A_2—C61_2—H61B_2	109.5
C50_1—C49_1—C2_1	133.3 (8)	C60_2—C61_2—H61C_2	109.5
C48_1—C49_1—C2_1	106.4 (7)	H61A_2—C61_2—H61C_2	109.5
C51_1—C50_1—C49_1	120.5 (9)	H61B_2—C61_2—H61C_2	109.5
C51_1—C50_1—H50_1	119.8	C60_2—C62_2—H62A_2	109.5
C49_1—C50_1—H50_1	119.8	C60_2—C62_2—H62B_2	109.5
C50_1—C51_1—C52_1	117.0 (8)	H62A_2—C62_2—H62B_2	109.5
C50_1—C51_1—C60_1	120.8 (9)	C60_2—C62_2—H62C_2	109.5
C52_1—C51_1—C60_1	122.1 (8)	H62A_2—C62_2—H62C_2	109.5
C47_1—C52_1—C51_1	124.3 (8)	H62B_2—C62_2—H62C_2	109.5
C47_1—C52_1—H52_1	117.8	C60_2—C63_2—H63A_2	109.5
C51_1—C52_1—H52_1	117.8	C60_2—C63_2—H63B_2	109.5
C1_1—N1_1—C48_1	105.8 (8)	H63A_2—C63_2—H63B_2	109.5
C1_1—N1_1—C53_1	126 (2)	C60_2—C63_2—H63C_2	109.5
C48_1—N1_1—C53_1	120 (2)	H63A_2—C63_2—H63C_2	109.5
C66_1—C64_1—C67_1	109.8 (9)	H63B_2—C63_2—H63C_2	109.5
C66_1—C64_1—C4_1	111.3 (8)	C4_2—C64_2—C65_2	109.8 (4)
C67_1—C64_1—C4_1	107.2 (8)	C4_2—C64_2—C67_2	112.5 (4)
C66_1—C64_1—C65_1	107.9 (9)	C65_2—C64_2—C67_2	107.9 (5)
C67_1—C64_1—C65_1	111.0 (9)	C4_2—C64_2—C66_2	108.7 (4)
C4_1—C64_1—C65_1	109.7 (9)	C65_2—C64_2—C66_2	110.4 (4)
C64_1—C65_1—H65A_1	109.5	C67_2—C64_2—C66_2	107.6 (4)
C64_1—C65_1—H65B_1	109.5	C64_2—C65_2—H65A_2	109.5
H65A_1—C65_1—H65B_1	109.5	C64_2—C65_2—H65B_2	109.5
C64_1—C65_1—H65C_1	109.5	H65A_2—C65_2—H65B_2	109.5
H65A_1—C65_1—H65C_1	109.5	C64_2—C65_2—H65C_2	109.5
H65B_1—C65_1—H65C_1	109.5	H65A_2—C65_2—H65C_2	109.5
C64_1—C66_1—H66A_1	109.5	H65B_2—C65_2—H65C_2	109.5
C64_1—C66_1—H66B_1	109.5	C64_2—C66_2—H66A_2	109.5
H66A_1—C66_1—H66B_1	109.5	C64_2—C66_2—H66B_2	109.5
C64_1—C66_1—H66C_1	109.5	H66A_2—C66_2—H66B_2	109.5
H66A_1—C66_1—H66C_1	109.5	C64_2—C66_2—H66C_2	109.5
H66B_1—C66_1—H66C_1	109.5	H66A_2—C66_2—H66C_2	109.5
C64_1—C67_1—H67A_1	109.5	H66B_2—C66_2—H66C_2	109.5
C64_1—C67_1—H67B_1	109.5	C64_2—C67_2—H67A_2	109.5
H67A_1—C67_1—H67B_1	109.5	C64_2—C67_2—H67B_2	109.5
C64_1—C67_1—H67C_1	109.5	H67A_2—C67_2—H67B_2	109.5
H67A_1—C67_1—H67C_1	109.5	C64_2—C67_2—H67C_2	109.5
H67B_1—C67_1—H67C_1	109.5	H67A_2—C67_2—H67C_2	109.5
C51_1—C60_1—C63_1	112.9 (11)	H67B_2—C67_2—H67C_2	109.5
C51_1—C60_1—C62_1	111.5 (9)	O7_2—C68_2—O6_2	126.5 (8)
C63_1—C60_1—C62_1	107.9 (8)	O6A_2—C68_2—O7A_2	120 (3)
C51_1—C60_1—C61_1	107.6 (10)	O7_2—C68_2—C69_2	116.6 (8)
C63_1—C60_1—C61_1	108.3 (8)	O6_2—C68_2—C69_2	116.8 (7)
C62_1—C60_1—C61_1	108.4 (7)	O6A_2—C68_2—C69A_2	126 (3)
C60_1—C61_1—H61A_1	109.5	O7A_2—C68_2—C69A_2	113 (3)
C60_1—C61_1—H61B_1	109.5	C82_2—C69_2—C70_2	122.0 (5)
H61A_1—C61_1—H61B_1	109.5	C82_2—C69_2—C68_2	116.9 (5)
C60_1—C61_1—H61C_1	109.5	C70_2—C69_2—C68_2	121.0 (5)
H61A_1—C61_1—H61C_1	109.5	C69_2—C70_2—C75_2	118.8 (5)
H61B_1—C61_1—H61C_1	109.5	C69_2—C70_2—C71_2	122.1 (5)
C60_1—C62_1—H62A_1	109.5	C75_2—C70_2—C71_2	119.1 (5)
C60_1—C62_1—H62B_1	109.5	C72_2—C71_2—C70_2	119.9 (6)
H62A_1—C62_1—H62B_1	109.5	C72_2—C71_2—H71_2	120.1
C60_1—C62_1—H62C_1	109.5	C70_2—C71_2—H71_2	120.1
H62A_1—C62_1—H62C_1	109.5	C71_2—C72_2—C73_2	121.0 (6)
H62B_1—C62_1—H62C_1	109.5	C71_2—C72_2—H72_2	119.5
C60_1—C63_1—H63A_1	109.5	C73_2—C72_2—H72_2	119.5
C60_1—C63_1—H63B_1	109.5	C74_2—C73_2—C72_2	120.6 (6)
H63A_1—C63_1—H63B_1	109.5	C74_2—C73_2—H73_2	119.7
C60_1—C63_1—H63C_1	109.5	C72_2—C73_2—H73_2	119.7
H63A_1—C63_1—H63C_1	109.5	C73_2—C74_2—C75_2	119.9 (6)
H63B_1—C63_1—H63C_1	109.5	C73_2—C74_2—H74_2	120.0
C8_1—C7_1—C12_1	117.6 (8)	C75_2—C74_2—H74_2	120.0
C8_1—C7_1—C6_1	122.7 (11)	C76_2—C75_2—C70_2	119.5 (5)
C12_1—C7_1—C6_1	119.5 (11)	C76_2—C75_2—C74_2	121.0 (5)
C7_1—C8_1—C9_1	121.1 (8)	C70_2—C75_2—C74_2	119.5 (5)
C7_1—C8_1—H8_1	119.5	C77_2—C76_2—C75_2	121.5 (5)
C9_1—C8_1—H8_1	119.5	C77_2—C76_2—H76_2	119.2
C10_1—C9_1—C8_1	120.0 (8)	C75_2—C76_2—H76_2	119.2
C10_1—C9_1—H9_1	120.0	C76_2—C77_2—C78_2	121.8 (6)
C8_1—C9_1—H9_1	120.0	C76_2—C77_2—C82_2	119.5 (5)
C11_1—C10_1—C9_1	120.2 (8)	C78_2—C77_2—C82_2	118.7 (5)
C11_1—C10_1—N2_1	121.5 (11)	C79_2—C78_2—C77_2	121.5 (6)
C9_1—C10_1—N2_1	118.3 (12)	C79_2—C78_2—H78_2	119.3
C10_1—C11_1—C12_1	119.1 (8)	C77_2—C78_2—H78_2	119.3
C10_1—C11_1—H11_1	120.4	C78_2—C79_2—C80_2	119.6 (6)
C12_1—C11_1—H11_1	120.4	C78_2—C79_2—H79_2	120.2
C11_1—C12_1—C7_1	121.8 (8)	C80_2—C79_2—H79_2	120.2
C11_1—C12_1—H12_1	119.1	C81_2—C80_2—C79_2	120.9 (6)
C7_1—C12_1—H12_1	119.1	C81_2—C80_2—H80_2	119.6
N2_1—C13_1—C14_1	126.8 (10)	C79_2—C80_2—H80_2	119.6
N2_1—C13_1—H13_1	116.6	C80_2—C81_2—C82_2	120.6 (6)
C14_1—C13_1—H13_1	116.6	C80_2—C81_2—H81_2	119.7
C19_1—C14_1—C15_1	120.8 (7)	C82_2—C81_2—H81_2	119.7
C19_1—C14_1—C13_1	123.4 (8)	C69_2—C82_2—C81_2	122.7 (6)
C15_1—C14_1—C13_1	115.9 (8)	C69_2—C82_2—C77_2	118.6 (5)
C16_1—C15_1—C14_1	118.3 (8)	C81_2—C82_2—C77_2	118.7 (5)
C16_1—C15_1—H15_1	120.8	C68_2—O6_2—Fe4_2	135.9 (7)
C14_1—C15_1—H15_1	120.8	C68_2—O7_2—Fe3_2	152.3 (9)
C15_1—C16_1—F1_1	118.9 (8)	C82A_2—C69A_2—C70A_2	120.1 (13)
C15_1—C16_1—C17_1	122.8 (8)	C82A_2—C69A_2—C68_2	122.8 (14)
F1_1—C16_1—C17_1	118.2 (8)	C70A_2—C69A_2—C68_2	116.5 (14)
C16_1—C17_1—C18_1	120.1 (8)	C71A_2—C70A_2—C69A_2	121.8 (14)
C16_1—C17_1—H17_1	120.0	C71A_2—C70A_2—C75A_2	118.4 (13)
C18_1—C17_1—H17_1	120.0	C69A_2—C70A_2—C75A_2	119.5 (12)
C17_1—C18_1—C19_1	119.6 (8)	C72A_2—C71A_2—C70A_2	120.7 (15)
C17_1—C18_1—C20_1	118.1 (8)	C72A_2—C71A_2—H71D_2	119.6
C19_1—C18_1—C20_1	122.3 (7)	C70A_2—C71A_2—H71D_2	119.6
O2_1—C19_1—C14_1	123.2 (8)	C71A_2—C72A_2—C73A_2	120.4 (15)
O2_1—C19_1—C18_1	118.4 (8)	C71A_2—C72A_2—H72D_2	119.8
C14_1—C19_1—C18_1	118.4 (7)	C73A_2—C72A_2—H72D_2	119.8
C19_1—O2_1—Fe2_1	135.5 (8)	C74A_2—C73A_2—C72A_2	119.4 (15)
C13_1—N2_1—C10_1	115.8 (10)	C74A_2—C73A_2—H73D_2	120.3
C13_1—N2_1—Fe2_1	124.6 (8)	C72A_2—C73A_2—H73D_2	120.3
C10_1—N2_1—Fe2_1	119.1 (9)	C73A_2—C74A_2—C75A_2	120.4 (15)
C25_1—C20_1—C21_1	119.2 (8)	C73A_2—C74A_2—H74D_2	119.8
C25_1—C20_1—C18_1	120.1 (8)	C75A_2—C74A_2—H74D_2	119.8
C21_1—C20_1—C18_1	120.7 (8)	C76A_2—C75A_2—C74A_2	120.4 (14)
C22_1—C21_1—C20_1	119.6 (8)	C76A_2—C75A_2—C70A_2	119.1 (13)
C22_1—C21_1—H21_1	120.2	C74A_2—C75A_2—C70A_2	120.4 (13)
C20_1—C21_1—H21_1	120.2	C75A_2—C76A_2—C77A_2	121.3 (14)
C21_1—C22_1—C23_1	120.8 (8)	C75A_2—C76A_2—H76D_2	119.4
C21_1—C22_1—H22_1	119.6	C77A_2—C76A_2—H76D_2	119.4
C23_1—C22_1—H22_1	119.6	C76A_2—C77A_2—C78A_2	120.7 (13)
C24_1—C23_1—C22_1	119.5 (8)	C76A_2—C77A_2—C82A_2	119.2 (13)
C24_1—C23_1—H23_1	120.3	C78A_2—C77A_2—C82A_2	120.1 (12)
C22_1—C23_1—H23_1	120.3	C79A_2—C78A_2—C77A_2	120.9 (14)
C25_1—C24_1—C23_1	119.8 (8)	C79A_2—C78A_2—H78D_2	119.5
C25_1—C24_1—C26_1	121.1 (7)	C77A_2—C78A_2—H78D_2	119.5
C23_1—C24_1—C26_1	119.1 (8)	C78A_2—C79A_2—C80A_2	118.8 (15)
C24_1—C25_1—C20_1	121.0 (8)	C78A_2—C79A_2—H79D_2	120.6
C24_1—C25_1—H25_1	119.5	C80A_2—C79A_2—H79D_2	120.6
C20_1—C25_1—H25_1	119.5	C81A_2—C80A_2—C79A_2	120.5 (15)
O1_1—C26_1—C24_1	108.1 (8)	C81A_2—C80A_2—H80D_2	119.7
O1_1—C26_1—H26A_1	110.1	C79A_2—C80A_2—H80D_2	119.7
C24_1—C26_1—H26A_1	110.1	C80A_2—C81A_2—C82A_2	121.0 (15)
O1_1—C26_1—H26B_1	110.1	C80A_2—C81A_2—H81D_2	119.5
C24_1—C26_1—H26B_1	110.1	C82A_2—C81A_2—H81D_2	119.5
H26A_1—C26_1—H26B_1	108.4	C69A_2—C82A_2—C81A_2	121.8 (14)
C27_1—O1_1—C26_1	110.6 (7)	C69A_2—C82A_2—C77A_2	119.8 (13)
O1_1—C27_1—C28_1	107.2 (6)	C81A_2—C82A_2—C77A_2	118.4 (13)
O1_1—C27_1—H27A_1	110.3	C68_2—O6A_2—Fe4_2	143 (4)
C28_1—C27_1—H27A_1	110.3	C68_2—O7A_2—Fe3_2	137 (3)
O1_1—C27_1—H27B_1	110.3	O2B_3—Fe1_3—O4_3	138.3 (10)
C28_1—C27_1—H27B_1	110.3	O2A_3—Fe1_3—O4_3	120.6 (15)
H27A_1—C27_1—H27B_1	108.5	O2C_3—Fe1_3—O4_3	113.7 (18)
C29_1—C28_1—C33_1	120.1 (7)	O4_3—Fe1_3—O2_3	126.2 (9)
C29_1—C28_1—C27_1	119.2 (7)	O2B_3—Fe1_3—O6_3	107.8 (10)
C33_1—C28_1—C27_1	120.7 (7)	O2A_3—Fe1_3—O6_3	124.6 (16)
C30_1—C29_1—C28_1	120.4 (7)	O2C_3—Fe1_3—O6_3	130.7 (19)
C30_1—C29_1—H29_1	119.8	O4_3—Fe1_3—O6_3	113.71 (13)
C28_1—C29_1—H29_1	119.8	O2_3—Fe1_3—O6_3	119.2 (9)
C29_1—C30_1—C31_1	119.8 (8)	O2B_3—Fe1_3—N2_3	82.8 (8)
C29_1—C30_1—H30_1	120.1	O2A_3—Fe1_3—N2_3	87.6 (10)
C31_1—C30_1—H30_1	120.1	O2C_3—Fe1_3—N2_3	90.7 (13)
C30_1—C31_1—C32_1	120.7 (8)	O4_3—Fe1_3—N2_3	96.64 (13)
C30_1—C31_1—H31_1	119.6	O2_3—Fe1_3—N2_3	87.0 (6)
C32_1—C31_1—H31_1	119.6	O6_3—Fe1_3—N2_3	96.38 (13)
C31_1—C32_1—C33_1	118.7 (8)	O2B_3—Fe1_3—O8_3	95.2 (7)
C31_1—C32_1—C34_1	121.8 (11)	O2A_3—Fe1_3—O8_3	90.1 (10)
C33_1—C32_1—C34_1	119.4 (11)	O2C_3—Fe1_3—O8_3	87.0 (13)
C28_1—C33_1—C32_1	120.2 (8)	O4_3—Fe1_3—O8_3	83.96 (13)
C28_1—C33_1—H33_1	119.9	O2_3—Fe1_3—O8_3	90.8 (6)
C32_1—C33_1—H33_1	119.9	O6_3—Fe1_3—O8_3	85.41 (12)
C35_1—C34_1—C39_1	119.5 (11)	N2_3—Fe1_3—O8_3	177.68 (13)
C35_1—C34_1—C32_1	120.8 (12)	C1_3—N1_3—C48_3	105.7 (3)
C39_1—C34_1—C32_1	119.7 (13)	C1_3—N1_3—C53_3	119.0 (3)
C34_1—C35_1—C36_1	120.5 (11)	C48_3—N1_3—C53_3	119.6 (3)
C34_1—C35_1—H35_1	119.8	N1_3—C1_3—C2_3	110.7 (4)
C36_1—C35_1—H35_1	119.8	N1_3—C1_3—C6_3	128.9 (4)
F2_1—C36_1—C37_1	118.5 (12)	C2_3—C1_3—C6_3	120.3 (4)
F2_1—C36_1—C35_1	119.7 (12)	O3_3—Fe2_3—O5_3	116.5 (8)
C37_1—C36_1—C35_1	121.8 (10)	O3A_3—Fe2_3—O5_3	120.3 (12)
C36_1—C37_1—C38_1	118.5 (11)	O3_3—Fe2_3—O7_3	121.4 (8)
C36_1—C37_1—H37_1	120.8	O3A_3—Fe2_3—O7_3	119.1 (12)
C38_1—C37_1—H37_1	120.8	O5_3—Fe2_3—O7_3	119.93 (14)
C37_1—C38_1—C39_1	121.0 (10)	O3_3—Fe2_3—N3_3	91.2 (5)
C37_1—C38_1—C40_1	115.2 (12)	O3A_3—Fe2_3—N3_3	84.9 (7)
C39_1—C38_1—C40_1	123.8 (13)	O5_3—Fe2_3—N3_3	95.31 (14)
O3_1—C39_1—C34_1	119.3 (14)	O7_3—Fe2_3—N3_3	98.15 (14)
O3_1—C39_1—C38_1	121.9 (14)	O3_3—Fe2_3—O8_3	87.8 (5)
C34_1—C39_1—C38_1	118.7 (10)	O3A_3—Fe2_3—O8_3	94.5 (7)
N3_1—C40_1—C38_1	127.2 (18)	O5_3—Fe2_3—O8_3	80.48 (13)
N3_1—C40_1—H40_1	116.4	O7_3—Fe2_3—O8_3	86.76 (12)
C38_1—C40_1—H40_1	116.4	N3_3—Fe2_3—O8_3	174.72 (14)
C39_1—O3_1—Fe1_1	132.4 (15)	C13_3—N2_3—C10_3	117.9 (4)
C40_1—N3_1—C41_1	116.7 (15)	C13_3—N2_3—Fe1_3	125.3 (3)
C40_1—N3_1—Fe1_1	122.5 (14)	C10_3—N2_3—Fe1_3	116.4 (3)
C41_1—N3_1—Fe1_1	119.9 (13)	C3_3—C2_3—C1_3	120.6 (4)
C2A_1—C1A_1—C6A_1	120.9 (14)	C3_3—C2_3—C49_3	133.0 (4)
C2A_1—C1A_1—N1A_1	110.5 (12)	C1_3—C2_3—C49_3	106.4 (4)
C6A_1—C1A_1—N1A_1	128.6 (15)	C40_3—N3_3—C41_3	120.7 (8)
C1A_1—C2A_1—C3A_1	120.2 (13)	C40A_3—N3_3—C41_3	110.9 (9)
C1A_1—C2A_1—C49A_1	106.4 (11)	C40_3—N3_3—Fe2_3	120.0 (8)
C3A_1—C2A_1—C49A_1	133.4 (14)	C40A_3—N3_3—Fe2_3	127.9 (9)
C4A_1—C3A_1—C2A_1	120.2 (15)	C41_3—N3_3—Fe2_3	119.3 (3)
C4A_1—C3A_1—H3D_1	119.9	C4_3—C3_3—C2_3	120.3 (4)
C2A_1—C3A_1—H3D_1	119.9	C4_3—C3_3—H3_3	119.9
C3A_1—C4A_1—C5A_1	118.2 (15)	C2_3—C3_3—H3_3	119.9
C3A_1—C4A_1—C64A_1	122.8 (16)	C59_3—O4_3—Fe1_3	139.3 (3)
C5A_1—C4A_1—C64A_1	118.9 (16)	C3_3—C4_3—C5_3	117.6 (4)
C6A_1—C5A_1—C4A_1	122.8 (15)	C3_3—C4_3—C64_3	120.3 (4)
C6A_1—C5A_1—H5D_1	118.6	C5_3—C4_3—C64_3	122.1 (4)
C4A_1—C5A_1—H5D_1	118.6	C59_3—O5_3—Fe2_3	134.5 (3)
C5A_1—C6A_1—C1A_1	117.3 (15)	C6_3—C5_3—C4_3	124.2 (4)
C5A_1—C6A_1—C7A_1	120.9 (17)	C6_3—C5_3—H5_3	117.9
C1A_1—C6A_1—C7A_1	121.7 (16)	C4_3—C5_3—H5_3	117.9
C48A_1—C47A_1—C52A_1	117.7 (14)	C68_3—O6_3—Fe1_3	136.8 (3)
C48A_1—C47A_1—C44_1	120.0 (15)	C5_3—C6_3—C1_3	116.6 (4)
C52A_1—C47A_1—C44_1	122.1 (16)	C5_3—C6_3—C7_3	121.7 (4)
C47A_1—C48A_1—C49A_1	121.6 (14)	C1_3—C6_3—C7_3	121.7 (4)
C47A_1—C48A_1—N1A_1	129.6 (16)	C68_3—O7_3—Fe2_3	140.4 (3)
C49A_1—C48A_1—N1A_1	108.8 (12)	C12_3—C7_3—C8_3	117.7 (4)
C50A_1—C49A_1—C48A_1	119.0 (14)	C12_3—C7_3—C6_3	119.7 (4)
C50A_1—C49A_1—C2A_1	133.4 (15)	C8_3—C7_3—C6_3	122.6 (4)
C48A_1—C49A_1—C2A_1	107.6 (12)	C9_3—C8_3—C7_3	121.3 (4)
C51A_1—C50A_1—C49A_1	121.3 (16)	C9_3—C8_3—H8_3	119.4
C51A_1—C50A_1—H50D_1	119.4	C7_3—C8_3—H8_3	119.4
C49A_1—C50A_1—H50D_1	119.4	C8_3—C9_3—C10_3	119.9 (4)
C50A_1—C51A_1—C52A_1	118.6 (16)	C8_3—C9_3—H9_3	120.0
C50A_1—C51A_1—C60A_1	119 (2)	C10_3—C9_3—H9_3	120.0
C52A_1—C51A_1—C60A_1	121.9 (19)	C9_3—C10_3—C11_3	119.4 (4)
C47A_1—C52A_1—C51A_1	121.8 (16)	C9_3—C10_3—N2_3	121.8 (4)
C47A_1—C52A_1—H52D_1	119.1	C11_3—C10_3—N2_3	118.8 (4)
C51A_1—C52A_1—H52D_1	119.1	C12_3—C11_3—C10_3	120.1 (4)
C53_1—N1A_1—C1A_1	115 (4)	C12_3—C11_3—H11_3	120.0
C53_1—N1A_1—C48A_1	123 (5)	C10_3—C11_3—H11_3	120.0
C1A_1—N1A_1—C48A_1	106.6 (13)	C11_3—C12_3—C7_3	121.5 (4)
C66A_1—C64A_1—C4A_1	113 (2)	C11_3—C12_3—H12_3	119.2
C66A_1—C64A_1—C67A_1	111 (2)	C7_3—C12_3—H12_3	119.2
C4A_1—C64A_1—C67A_1	107.1 (19)	N2_3—C13_3—C14B_3	130.9 (9)
C66A_1—C64A_1—C65A_1	109.7 (19)	N2_3—C13_3—C14_3	126.6 (7)
C4A_1—C64A_1—C65A_1	109 (2)	N2_3—C13_3—C14C_3	119.3 (15)
C67A_1—C64A_1—C65A_1	106.1 (17)	N2_3—C13_3—C14A_3	124.6 (10)
C64A_1—C65A_1—H65D_1	109.5	N2_3—C13_3—H13_3	116.7
C64A_1—C65A_1—H65E_1	109.5	C14_3—C13_3—H13_3	116.7
H65D_1—C65A_1—H65E_1	109.5	C15_3—C14_3—C19_3	119.5 (9)
C64A_1—C65A_1—H65F_1	109.5	C15_3—C14_3—C13_3	115.2 (10)
H65D_1—C65A_1—H65F_1	109.5	C19_3—C14_3—C13_3	123.8 (11)
H65E_1—C65A_1—H65F_1	109.5	C16_3—C15_3—C14_3	119.4 (10)
C64A_1—C66A_1—H66D_1	109.5	C16_3—C15_3—H15_3	120.3
C64A_1—C66A_1—H66E_1	109.5	C14_3—C15_3—H15_3	120.3
H66D_1—C66A_1—H66E_1	109.5	F1_3—C16_3—C15_3	120.3 (12)
C64A_1—C66A_1—H66F_1	109.5	F1_3—C16_3—C17_3	117.4 (11)
H66D_1—C66A_1—H66F_1	109.5	C15_3—C16_3—C17_3	122.3 (9)
H66E_1—C66A_1—H66F_1	109.5	C16_3—C17_3—C18_3	119.6 (9)
C64A_1—C67A_1—H67D_1	109.5	C16_3—C17_3—H17_3	120.2
C64A_1—C67A_1—H67E_1	109.5	C18_3—C17_3—H17_3	120.2
H67D_1—C67A_1—H67E_1	109.5	C17_3—C18_3—C19_3	119.5 (9)
C64A_1—C67A_1—H67F_1	109.5	C17_3—C18_3—C20_3	120.7 (8)
H67D_1—C67A_1—H67F_1	109.5	C19_3—C18_3—C20_3	119.7 (8)
H67E_1—C67A_1—H67F_1	109.5	O2_3—C19_3—C18_3	119.4 (10)
C63A_1—C60A_1—C62A_1	109.6 (17)	O2_3—C19_3—C14_3	121.3 (11)
C63A_1—C60A_1—C61A_1	106.7 (19)	C18_3—C19_3—C14_3	119.3 (8)
C62A_1—C60A_1—C61A_1	110.8 (17)	C19_3—O2_3—Fe1_3	133.5 (13)
C63A_1—C60A_1—C51A_1	108 (2)	C25_3—C20_3—C21_3	117.6 (9)
C62A_1—C60A_1—C51A_1	107 (2)	C25_3—C20_3—C18_3	122.1 (9)
C61A_1—C60A_1—C51A_1	115 (2)	C21_3—C20_3—C18_3	120.3 (9)
C60A_1—C61A_1—H61D_1	109.5	C22_3—C21_3—C20_3	121.5 (11)
C60A_1—C61A_1—H61E_1	109.5	C22_3—C21_3—H21_3	119.3
H61D_1—C61A_1—H61E_1	109.5	C20_3—C21_3—H21_3	119.3
C60A_1—C61A_1—H61F_1	109.5	C23_3—C22_3—C21_3	119.8 (11)
H61D_1—C61A_1—H61F_1	109.5	C23_3—C22_3—H22_3	120.1
H61E_1—C61A_1—H61F_1	109.5	C21_3—C22_3—H22_3	120.1
C60A_1—C62A_1—H62D_1	109.5	C22_3—C23_3—C24_3	120.3 (10)
C60A_1—C62A_1—H62E_1	109.5	C22_3—C23_3—H23_3	119.8
H62D_1—C62A_1—H62E_1	109.5	C24_3—C23_3—H23_3	119.8
C60A_1—C62A_1—H62F_1	109.5	C25_3—C24_3—C23_3	118.9 (10)
H62D_1—C62A_1—H62F_1	109.5	C25_3—C24_3—C26_3	121.3 (9)
H62E_1—C62A_1—H62F_1	109.5	C23_3—C24_3—C26_3	119.4 (9)
C60A_1—C63A_1—H63D_1	109.5	C24_3—C25_3—C20_3	121.8 (10)
C60A_1—C63A_1—H63E_1	109.5	C24_3—C25_3—H25_3	119.1
H63D_1—C63A_1—H63E_1	109.5	C20_3—C25_3—H25_3	119.1
C60A_1—C63A_1—H63F_1	109.5	O1_3—C26_3—C24_3	111.9 (9)
H63D_1—C63A_1—H63F_1	109.5	O1_3—C26_3—H26A_3	109.2
H63E_1—C63A_1—H63F_1	109.5	C24_3—C26_3—H26A_3	109.2
C8A_1—C7A_1—C12A_1	119.4 (14)	O1_3—C26_3—H26B_3	109.2
C8A_1—C7A_1—C6A_1	124.2 (19)	C24_3—C26_3—H26B_3	109.2
C12A_1—C7A_1—C6A_1	116 (2)	H26A_3—C26_3—H26B_3	107.9
C7A_1—C8A_1—C9A_1	120.5 (15)	C26_3—O1_3—C27_3	107.7 (11)
C7A_1—C8A_1—H8D_1	119.8	O1_3—C27_3—C28_3	108.9 (8)
C9A_1—C8A_1—H8D_1	119.8	O1_3—C27_3—H27A_3	109.9
C10A_1—C9A_1—C8A_1	119.4 (15)	C28_3—C27_3—H27A_3	109.9
C10A_1—C9A_1—H9D_1	120.3	O1_3—C27_3—H27B_3	109.9
C8A_1—C9A_1—H9D_1	120.3	C28_3—C27_3—H27B_3	109.9
C11A_1—C10A_1—C9A_1	120.7 (15)	H27A_3—C27_3—H27B_3	108.3
C11A_1—C10A_1—N2A_1	122 (3)	C29_3—C28_3—C33_3	119.7 (10)
C9A_1—C10A_1—N2A_1	117 (4)	C29_3—C28_3—C27_3	121.5 (10)
C10A_1—C11A_1—C12A_1	119.3 (16)	C33_3—C28_3—C27_3	118.8 (10)
C10A_1—C11A_1—H11D_1	120.3	C28_3—C29_3—C30_3	120.5 (11)
C12A_1—C11A_1—H11D_1	120.3	C28_3—C29_3—H29_3	119.8
C7A_1—C12A_1—C11A_1	120.4 (16)	C30_3—C29_3—H29_3	119.8
C7A_1—C12A_1—H12D_1	119.8	C31_3—C30_3—C29_3	119.5 (12)
C11A_1—C12A_1—H12D_1	119.8	C31_3—C30_3—H30_3	120.3
N2A_1—C13A_1—C14A_1	127 (2)	C29_3—C30_3—H30_3	120.3
N2A_1—C13A_1—H13D_1	116.7	C30_3—C31_3—C32_3	120.9 (11)
C14A_1—C13A_1—H13D_1	116.7	C30_3—C31_3—H31_3	119.5
C19A_1—C14A_1—C15A_1	120.1 (14)	C32_3—C31_3—H31_3	119.5
C19A_1—C14A_1—C13A_1	125.2 (15)	C33_3—C32_3—C31_3	119.4 (11)
C15A_1—C14A_1—C13A_1	114.7 (16)	C33_3—C32_3—C34_3	121.6 (10)
C16A_1—C15A_1—C14A_1	119.0 (15)	C31_3—C32_3—C34_3	118.9 (9)
C16A_1—C15A_1—H15D_1	120.5	C32_3—C33_3—C28_3	120.0 (11)
C14A_1—C15A_1—H15D_1	120.5	C32_3—C33_3—H33_3	120.0
F1A_1—C16A_1—C15A_1	118.9 (17)	C28_3—C33_3—H33_3	120.0
F1A_1—C16A_1—C17A_1	120.0 (17)	C35_3—C34_3—C39_3	118.9 (8)
C15A_1—C16A_1—C17A_1	121.2 (14)	C35_3—C34_3—C32_3	120.7 (8)
C16A_1—C17A_1—C18A_1	120.8 (15)	C39_3—C34_3—C32_3	120.4 (8)
C16A_1—C17A_1—H17D_1	119.6	C36_3—C35_3—C34_3	121.5 (9)
C18A_1—C17A_1—H17D_1	119.6	C36_3—C35_3—H35_3	119.2
C17A_1—C18A_1—C19A_1	118.5 (14)	C34_3—C35_3—H35_3	119.2
C17A_1—C18A_1—C20A_1	120.9 (17)	C35_3—C36_3—F2_3	119.5 (9)
C19A_1—C18A_1—C20A_1	120.5 (17)	C35_3—C36_3—C37_3	121.8 (8)
O2A_1—C19A_1—C14A_1	121.5 (16)	F2_3—C36_3—C37_3	118.7 (9)
O2A_1—C19A_1—C18A_1	118.2 (17)	C36_3—C37_3—C38_3	118.2 (8)
C14A_1—C19A_1—C18A_1	120.3 (14)	C36_3—C37_3—H37_3	120.9
C19A_1—O2A_1—Fe2_1	133.0 (19)	C38_3—C37_3—H37_3	120.9
C13A_1—N2A_1—C10A_1	118 (2)	C39_3—C38_3—C37_3	120.9 (8)
C13A_1—N2A_1—Fe2_1	126.1 (17)	C39_3—C38_3—C40_3	125.2 (9)
C10A_1—N2A_1—Fe2_1	116 (2)	C37_3—C38_3—C40_3	113.9 (9)
C25A_1—C20A_1—C21A_1	116.7 (11)	O3_3—C39_3—C38_3	121.9 (9)
C25A_1—C20A_1—C18A_1	125.9 (16)	O3_3—C39_3—C34_3	119.3 (10)
C21A_1—C20A_1—C18A_1	117.4 (17)	C38_3—C39_3—C34_3	118.6 (7)
C22A_1—C21A_1—C20A_1	122.5 (12)	N3_3—C40_3—C38_3	129.2 (13)
C22A_1—C21A_1—H21D_1	118.8	N3_3—C40_3—H40_3	115.4
C20A_1—C21A_1—H21D_1	118.8	C38_3—C40_3—H40_3	115.4
C21A_1—C22A_1—C23A_1	119.4 (12)	C39_3—O3_3—Fe2_3	132.3 (11)
C21A_1—C22A_1—H22D_1	120.3	C15A_3—C14A_3—C19A_3	117.1 (12)
C23A_1—C22A_1—H22D_1	120.3	C15A_3—C14A_3—C13_3	119.3 (15)
C24A_1—C23A_1—C22A_1	119.6 (12)	C19A_3—C14A_3—C13_3	123.3 (16)
C24A_1—C23A_1—H23D_1	120.2	C16A_3—C15A_3—C14A_3	120.3 (13)
C22A_1—C23A_1—H23D_1	120.2	C16A_3—C15A_3—H15D_3	119.9
C25A_1—C24A_1—C23A_1	119.8 (11)	C14A_3—C15A_3—H15D_3	119.9
C25A_1—C24A_1—C26A_1	120.2 (12)	F1A_3—C16A_3—C17A_3	120.2 (15)
C23A_1—C24A_1—C26A_1	119.9 (12)	F1A_3—C16A_3—C15A_3	117.2 (15)
C24A_1—C25A_1—C20A_1	122.0 (12)	C17A_3—C16A_3—C15A_3	122.2 (13)
C24A_1—C25A_1—H25D_1	119.0	C16A_3—C17A_3—C18A_3	118.5 (13)
C20A_1—C25A_1—H25D_1	119.0	C16A_3—C17A_3—H17D_3	120.7
O1A_1—C26A_1—C24A_1	106.2 (12)	C18A_3—C17A_3—H17D_3	120.7
O1A_1—C26A_1—H26D_1	110.5	C17A_3—C18A_3—C19A_3	120.6 (12)
C24A_1—C26A_1—H26D_1	110.5	C17A_3—C18A_3—C20A_3	117.1 (12)
O1A_1—C26A_1—H26E_1	110.5	C19A_3—C18A_3—C20A_3	122.2 (13)
C24A_1—C26A_1—H26E_1	110.5	O2A_3—C19A_3—C18A_3	117.4 (16)
H26D_1—C26A_1—H26E_1	108.7	O2A_3—C19A_3—C14A_3	121.9 (17)
C27A_1—O1A_1—C26A_1	109.6 (11)	C18A_3—C19A_3—C14A_3	120.6 (12)
O1A_1—C27A_1—C28A_1	109.0 (9)	C19A_3—O2A_3—Fe1_3	136 (2)
O1A_1—C27A_1—H27D_1	109.9	C25A_3—C20A_3—C21A_3	120.9 (13)
C28A_1—C27A_1—H27D_1	109.9	C25A_3—C20A_3—C18A_3	120.3 (15)
O1A_1—C27A_1—H27E_1	109.9	C21A_3—C20A_3—C18A_3	118.8 (14)
C28A_1—C27A_1—H27E_1	109.9	C22A_3—C21A_3—C20A_3	120.7 (13)
H27D_1—C27A_1—H27E_1	108.3	C22A_3—C21A_3—H21D_3	119.6
C29A_1—C28A_1—C33A_1	119.4 (11)	C20A_3—C21A_3—H21D_3	119.6
C29A_1—C28A_1—C27A_1	122.3 (11)	C21A_3—C22A_3—C23A_3	117.9 (14)
C33A_1—C28A_1—C27A_1	118.4 (11)	C21A_3—C22A_3—H22D_3	121.0
C30A_1—C29A_1—C28A_1	119.9 (11)	C23A_3—C22A_3—H22D_3	121.0
C30A_1—C29A_1—H29D_1	120.0	C24A_3—C23A_3—C22A_3	121.5 (14)
C28A_1—C29A_1—H29D_1	120.0	C24A_3—C23A_3—H23A_3	119.2
C31A_1—C30A_1—C29A_1	120.7 (12)	C22A_3—C23A_3—H23A_3	119.2
C31A_1—C30A_1—H30D_1	119.7	C23A_3—C24A_3—C25A_3	120.0 (13)
C29A_1—C30A_1—H30D_1	119.7	C23A_3—C24A_3—C26A_3	120.2 (14)
C30A_1—C31A_1—C32A_1	120.1 (11)	C25A_3—C24A_3—C26A_3	119.1 (14)
C30A_1—C31A_1—H31D_1	120.0	C20A_3—C25A_3—C24A_3	118.8 (14)
C32A_1—C31A_1—H31D_1	120.0	C20A_3—C25A_3—H25D_3	120.6
C33A_1—C32A_1—C31A_1	119.8 (11)	C24A_3—C25A_3—H25D_3	120.6
C33A_1—C32A_1—C34A_1	119.3 (12)	O1A_3—C26A_3—C24A_3	110.8 (14)
C31A_1—C32A_1—C34A_1	120.6 (12)	O1A_3—C26A_3—H26D_3	109.5
C32A_1—C33A_1—C28A_1	120.1 (12)	C24A_3—C26A_3—H26D_3	109.5
C32A_1—C33A_1—H33D_1	119.9	O1A_3—C26A_3—H26E_3	109.5
C28A_1—C33A_1—H33D_1	119.9	C24A_3—C26A_3—H26E_3	109.5
C35A_1—C34A_1—C39A_1	120.6 (10)	H26D_3—C26A_3—H26E_3	108.1
C35A_1—C34A_1—C32A_1	118.4 (12)	C26A_3—O1A_3—C27A_3	111.5 (13)
C39A_1—C34A_1—C32A_1	121.0 (12)	O1A_3—C27A_3—C28A_3	109.3 (11)
C36A_1—C35A_1—C34A_1	120.3 (11)	O1A_3—C27A_3—H27D_3	109.8
C36A_1—C35A_1—H35D_1	119.9	C28A_3—C27A_3—H27D_3	109.8
C34A_1—C35A_1—H35D_1	119.9	O1A_3—C27A_3—H27E_3	109.8
F2A_1—C36A_1—C37A_1	119.9 (10)	C28A_3—C27A_3—H27E_3	109.8
F2A_1—C36A_1—C35A_1	119.3 (10)	H27D_3—C27A_3—H27E_3	108.3
C37A_1—C36A_1—C35A_1	120.8 (10)	C29A_3—C28A_3—C33A_3	120.9 (12)
C36A_1—C37A_1—C38A_1	120.1 (10)	C29A_3—C28A_3—C27A_3	118.6 (14)
C36A_1—C37A_1—H37D_1	120.0	C33A_3—C28A_3—C27A_3	120.5 (13)
C38A_1—C37A_1—H37D_1	120.0	C28A_3—C29A_3—C30A_3	119.4 (13)
C37A_1—C38A_1—C39A_1	119.9 (10)	C28A_3—C29A_3—H29D_3	120.3
C37A_1—C38A_1—C40A_1	116.9 (11)	C30A_3—C29A_3—H29D_3	120.3
C39A_1—C38A_1—C40A_1	123.1 (12)	C29A_3—C30A_3—C31A_3	119.2 (13)
O3A_1—C39A_1—C34A_1	120.0 (12)	C29A_3—C30A_3—H30D_3	120.4
O3A_1—C39A_1—C38A_1	121.8 (12)	C31A_3—C30A_3—H30D_3	120.4
C34A_1—C39A_1—C38A_1	117.9 (10)	C32A_3—C31A_3—C30A_3	122.1 (13)
N3A_1—C40A_1—C38A_1	128.2 (16)	C32A_3—C31A_3—H31D_3	118.9
N3A_1—C40A_1—H40D_1	115.9	C30A_3—C31A_3—H31D_3	118.9
C38A_1—C40A_1—H40D_1	115.9	C31A_3—C32A_3—C33A_3	117.7 (13)
C39A_1—O3A_1—Fe1_1	133.3 (13)	C31A_3—C32A_3—C34A_3	118.5 (14)
C40A_1—N3A_1—C41_1	117.4 (13)	C33A_3—C32A_3—C34A_3	123.7 (14)
C40A_1—N3A_1—Fe1_1	125.4 (11)	C32A_3—C33A_3—C28A_3	120.1 (13)
C41_1—N3A_1—Fe1_1	117.2 (11)	C32A_3—C33A_3—H33D_3	120.0
C2B_1—C1B_1—C6B_1	121.1 (15)	C28A_3—C33A_3—H33D_3	120.0
C2B_1—C1B_1—N1B_1	110.5 (13)	C35A_3—C34A_3—C39A_3	118.0 (11)
C6B_1—C1B_1—N1B_1	128.4 (17)	C35A_3—C34A_3—C32A_3	116.4 (13)
C3B_1—C2B_1—C1B_1	120.1 (15)	C39A_3—C34A_3—C32A_3	125.5 (13)
C3B_1—C2B_1—C49B_1	133.8 (16)	C36A_3—C35A_3—C34A_3	121.3 (12)
C1B_1—C2B_1—C49B_1	106.1 (12)	C36A_3—C35A_3—H35D_3	119.4
C4B_1—C3B_1—C2B_1	120.3 (17)	C34A_3—C35A_3—H35D_3	119.4
C4B_1—C3B_1—H3G_1	119.9	F2A_3—C36A_3—C37A_3	119.6 (12)
C2B_1—C3B_1—H3G_1	119.9	F2A_3—C36A_3—C35A_3	118.5 (11)
C3B_1—C4B_1—C5B_1	118.1 (17)	C37A_3—C36A_3—C35A_3	122.0 (11)
C3B_1—C4B_1—C64B_1	122 (2)	C36A_3—C37A_3—C38A_3	117.9 (12)
C5B_1—C4B_1—C64B_1	120 (2)	C36A_3—C37A_3—H37D_3	121.1
C6B_1—C5B_1—C4B_1	123.7 (18)	C38A_3—C37A_3—H37D_3	121.1
C6B_1—C5B_1—H5G_1	118.2	C39A_3—C38A_3—C37A_3	121.7 (11)
C4B_1—C5B_1—H5G_1	118.2	C39A_3—C38A_3—C40A_3	123.7 (12)
C5B_1—C6B_1—C1B_1	116.6 (17)	C37A_3—C38A_3—C40A_3	114.4 (12)
C5B_1—C6B_1—C7B_1	126 (2)	O3A_3—C39A_3—C38A_3	122.9 (13)
C1B_1—C6B_1—C7B_1	118 (2)	O3A_3—C39A_3—C34A_3	118.1 (14)
C52B_1—C47B_1—C48B_1	115.4 (17)	C38A_3—C39A_3—C34A_3	118.8 (11)
C52B_1—C47B_1—C44_1	125 (2)	N3_3—C40A_3—C38A_3	123.1 (16)
C48B_1—C47B_1—C44_1	119.0 (19)	N3_3—C40A_3—H40D_3	118.4
C47B_1—C48B_1—C49B_1	121.5 (15)	C38A_3—C40A_3—H40D_3	118.4
C47B_1—C48B_1—N1B_1	129.5 (17)	C39A_3—O3A_3—Fe2_3	134.8 (17)
C49B_1—C48B_1—N1B_1	108.9 (13)	C19B_3—C14B_3—C15B_3	126.4 (13)
C50B_1—C49B_1—C48B_1	120.2 (15)	C19B_3—C14B_3—C13_3	115.4 (13)
C50B_1—C49B_1—C2B_1	132.1 (17)	C15B_3—C14B_3—C13_3	117.2 (14)
C48B_1—C49B_1—C2B_1	107.7 (12)	C14B_3—C15B_3—C16B_3	115.2 (13)
C51B_1—C50B_1—C49B_1	120.5 (18)	C14B_3—C15B_3—H15G_3	122.4
C51B_1—C50B_1—H50G_1	119.8	C16B_3—C15B_3—H15G_3	122.4
C49B_1—C50B_1—H50G_1	119.8	F1B_3—C16B_3—C17B_3	121.0 (18)
C50B_1—C51B_1—C52B_1	117.3 (18)	F1B_3—C16B_3—C15B_3	118.4 (19)
C50B_1—C51B_1—C60B_1	121 (2)	C17B_3—C16B_3—C15B_3	119.5 (14)
C52B_1—C51B_1—C60B_1	121 (2)	C16B_3—C17B_3—C18B_3	122.1 (14)
C47B_1—C52B_1—C51B_1	124.7 (18)	C16B_3—C17B_3—H17G_3	118.9
C47B_1—C52B_1—H52G_1	117.7	C18B_3—C17B_3—H17G_3	118.9
C51B_1—C52B_1—H52G_1	117.7	C19B_3—C18B_3—C17B_3	118.6 (12)
C1B_1—N1B_1—C48B_1	106.6 (14)	C19B_3—C18B_3—C20B_3	120.2 (13)
C1B_1—N1B_1—C53_1	118 (7)	C17B_3—C18B_3—C20B_3	121.1 (13)
C48B_1—N1B_1—C53_1	121 (7)	O2B_3—C19B_3—C14B_3	125.4 (16)
C66B_1—C64B_1—C4B_1	114 (2)	O2B_3—C19B_3—C18B_3	118.2 (15)
C66B_1—C64B_1—C67B_1	111 (2)	C14B_3—C19B_3—C18B_3	115.9 (11)
C4B_1—C64B_1—C67B_1	105 (3)	C19B_3—O2B_3—Fe1_3	139 (2)
C66B_1—C64B_1—C65B_1	108.3 (19)	C21B_3—C20B_3—C25B_3	117.2 (14)
C4B_1—C64B_1—C65B_1	109 (2)	C21B_3—C20B_3—C18B_3	119.5 (16)
C67B_1—C64B_1—C65B_1	108.7 (19)	C25B_3—C20B_3—C18B_3	123.3 (15)
C64B_1—C65B_1—H65G_1	109.5	C22B_3—C21B_3—C20B_3	120.2 (16)
C64B_1—C65B_1—H65H_1	109.5	C22B_3—C21B_3—H21G_3	119.9
H65G_1—C65B_1—H65H_1	109.5	C20B_3—C21B_3—H21G_3	119.9
C64B_1—C65B_1—H65I_1	109.5	C21B_3—C22B_3—C23B_3	121.4 (17)
H65G_1—C65B_1—H65I_1	109.5	C21B_3—C22B_3—H22G_3	119.3
H65H_1—C65B_1—H65I_1	109.5	C23B_3—C22B_3—H22G_3	119.3
C64B_1—C66B_1—H66G_1	109.5	C22B_3—C23B_3—C24B_3	119.9 (16)
C64B_1—C66B_1—H66H_1	109.5	C22B_3—C23B_3—H23G_3	120.1
H66G_1—C66B_1—H66H_1	109.5	C24B_3—C23B_3—H23G_3	120.1
C64B_1—C66B_1—H66I_1	109.5	C23B_3—C24B_3—C25B_3	117.2 (15)
H66G_1—C66B_1—H66I_1	109.5	C23B_3—C24B_3—C26B_3	122.6 (16)
H66H_1—C66B_1—H66I_1	109.5	C25B_3—C24B_3—C26B_3	120.1 (16)
C64B_1—C67B_1—H67G_1	109.5	C20B_3—C25B_3—C24B_3	124.1 (15)
C64B_1—C67B_1—H67H_1	109.5	C20B_3—C25B_3—H25G_3	118.0
H67G_1—C67B_1—H67H_1	109.5	C24B_3—C25B_3—H25G_3	118.0
C64B_1—C67B_1—H67I_1	109.5	O1B_3—C26B_3—C24B_3	112.8 (17)
H67G_1—C67B_1—H67I_1	109.5	O1B_3—C26B_3—H26G_3	109.0
H67H_1—C67B_1—H67I_1	109.5	C24B_3—C26B_3—H26G_3	109.0
C63B_1—C60B_1—C62B_1	108 (2)	O1B_3—C26B_3—H26H_3	109.0
C63B_1—C60B_1—C51B_1	115 (3)	C24B_3—C26B_3—H26H_3	109.0
C62B_1—C60B_1—C51B_1	113 (3)	H26G_3—C26B_3—H26H_3	107.8
C63B_1—C60B_1—C61B_1	109 (2)	C27B_3—O1B_3—C26B_3	110.7 (15)
C62B_1—C60B_1—C61B_1	110 (2)	O1B_3—C27B_3—C28B_3	116.8 (18)
C51B_1—C60B_1—C61B_1	101 (3)	O1B_3—C27B_3—H27G_3	108.1
C60B_1—C61B_1—H61G_1	109.5	C28B_3—C27B_3—H27G_3	108.1
C60B_1—C61B_1—H61H_1	109.5	O1B_3—C27B_3—H27H_3	108.1
H61G_1—C61B_1—H61H_1	109.5	C28B_3—C27B_3—H27H_3	108.1
C60B_1—C61B_1—H61I_1	109.5	H27G_3—C27B_3—H27H_3	107.3
H61G_1—C61B_1—H61I_1	109.5	C29B_3—C28B_3—C33B_3	117.3 (15)
H61H_1—C61B_1—H61I_1	109.5	C29B_3—C28B_3—C27B_3	122.0 (18)
C60B_1—C62B_1—H62G_1	109.5	C33B_3—C28B_3—C27B_3	120.7 (18)
C60B_1—C62B_1—H62H_1	109.5	C28B_3—C29B_3—C30B_3	120.8 (17)
H62G_1—C62B_1—H62H_1	109.5	C28B_3—C29B_3—H29G_3	119.6
C60B_1—C62B_1—H62I_1	109.5	C30B_3—C29B_3—H29G_3	119.6
H62G_1—C62B_1—H62I_1	109.5	C31B_3—C30B_3—C29B_3	120.8 (18)
H62H_1—C62B_1—H62I_1	109.5	C31B_3—C30B_3—H30G_3	119.6
C60B_1—C63B_1—H63G_1	109.5	C29B_3—C30B_3—H30G_3	119.6
C60B_1—C63B_1—H63H_1	109.5	C30B_3—C31B_3—C32B_3	119.5 (17)
H63G_1—C63B_1—H63H_1	109.5	C30B_3—C31B_3—H31G_3	120.3
C60B_1—C63B_1—H63I_1	109.5	C32B_3—C31B_3—H31G_3	120.3
H63G_1—C63B_1—H63I_1	109.5	C33B_3—C32B_3—C31B_3	119.0 (18)
H63H_1—C63B_1—H63I_1	109.5	C32B_3—C33B_3—C28B_3	122.3 (17)
C8B_1—C7B_1—C12B_1	119.2 (16)	C32B_3—C33B_3—H33G_3	118.9
C8B_1—C7B_1—C6B_1	117 (3)	C28B_3—C33B_3—H33G_3	118.9
C12B_1—C7B_1—C6B_1	124 (3)	C15C_3—C14C_3—C19C_3	118.2 (16)
C9B_1—C8B_1—C7B_1	119.7 (17)	C15C_3—C14C_3—C13_3	109 (2)
C9B_1—C8B_1—H8G_1	120.2	C19C_3—C14C_3—C13_3	132 (2)
C7B_1—C8B_1—H8G_1	120.2	C16C_3—C15C_3—C14C_3	121.1 (17)
C10B_1—C9B_1—C8B_1	121.2 (17)	C16C_3—C15C_3—H15J_3	119.5
C10B_1—C9B_1—H9G_1	119.4	C14C_3—C15C_3—H15J_3	119.5
C8B_1—C9B_1—H9G_1	119.4	F1C_3—C16C_3—C15C_3	121 (2)
C9B_1—C10B_1—C11B_1	119.3 (16)	F1C_3—C16C_3—C17C_3	119 (2)
C9B_1—C10B_1—N2B_1	129 (4)	C15C_3—C16C_3—C17C_3	120.5 (16)
C11B_1—C10B_1—N2B_1	111 (3)	C16C_3—C17C_3—C18C_3	119.2 (17)
C10B_1—C11B_1—C12B_1	119.8 (17)	C16C_3—C17C_3—H17J_3	120.4
C10B_1—C11B_1—H11G_1	120.1	C18C_3—C17C_3—H17J_3	120.4
C12B_1—C11B_1—H11G_1	120.1	C17C_3—C18C_3—C19C_3	119.8 (16)
C11B_1—C12B_1—C7B_1	120.9 (17)	C17C_3—C18C_3—C20C_3	116.1 (18)
C11B_1—C12B_1—H12G_1	119.6	C19C_3—C18C_3—C20C_3	121.0 (18)
C7B_1—C12B_1—H12G_1	119.6	O2C_3—C19C_3—C18C_3	118 (2)
N2B_1—C13B_1—C14B_1	127 (2)	O2C_3—C19C_3—C14C_3	121 (2)
N2B_1—C13B_1—H13G_1	116.5	C18C_3—C19C_3—C14C_3	120.3 (15)
C14B_1—C13B_1—H13G_1	116.5	C19C_3—O2C_3—Fe1_3	128 (3)
C19B_1—C14B_1—C15B_1	120.1 (14)	C25C_3—C20C_3—C21C_3	119.4 (16)
C19B_1—C14B_1—C13B_1	125.7 (16)	C25C_3—C20C_3—C18C_3	123.1 (18)
C15B_1—C14B_1—C13B_1	114.2 (17)	C21C_3—C20C_3—C18C_3	117.4 (18)
C16B_1—C15B_1—C14B_1	120.5 (16)	C22C_3—C21C_3—C20C_3	121.4 (18)
C16B_1—C15B_1—H15G_1	119.8	C22C_3—C21C_3—H21J_3	119.3
C14B_1—C15B_1—H15G_1	119.8	C20C_3—C21C_3—H21J_3	119.3
F1B_1—C16B_1—C15B_1	119.8 (18)	C23C_3—C22C_3—C21C_3	119.1 (18)
F1B_1—C16B_1—C17B_1	120.8 (17)	C23C_3—C22C_3—H22J_3	120.5
C15B_1—C16B_1—C17B_1	119.3 (15)	C21C_3—C22C_3—H22J_3	120.5
C16B_1—C17B_1—C18B_1	120.8 (16)	C22C_3—C23C_3—C24C_3	119.2 (17)
C16B_1—C17B_1—H17G_1	119.6	C22C_3—C23C_3—H23J_3	120.4
C18B_1—C17B_1—H17G_1	119.6	C24C_3—C23C_3—H23J_3	120.4
C17B_1—C18B_1—C19B_1	120.1 (16)	C25C_3—C24C_3—C23C_3	121.4 (17)
O2B_1—C19B_1—C14B_1	121.5 (17)	C25C_3—C24C_3—C26C_3	120 (2)
O2B_1—C19B_1—C18B_1	119.3 (17)	C23C_3—C24C_3—C26C_3	117.5 (19)
C14B_1—C19B_1—C18B_1	119.2 (14)	C20C_3—C25C_3—C24C_3	118.9 (17)
C19B_1—O2B_1—Fe2_1	126.8 (18)	C20C_3—C25C_3—H25J_3	120.6
C13B_1—N2B_1—C10B_1	115 (2)	C24C_3—C25C_3—H25J_3	120.6
C13B_1—N2B_1—Fe2_1	121.4 (19)	O1C_3—C26C_3—C24C_3	108 (2)
C10B_1—N2B_1—Fe2_1	123 (2)	O1C_3—C26C_3—H26J_3	110.2
N2C_1—C13C_1—C14C_1	126 (3)	C24C_3—C26C_3—H26J_3	110.2
N2C_1—C13C_1—H13J_1	116.9	O1C_3—C26C_3—H26K_3	110.2
C14C_1—C13C_1—H13J_1	116.9	C24C_3—C26C_3—H26K_3	110.2
C15C_1—C14C_1—C19C_1	119.8 (17)	H26J_3—C26C_3—H26K_3	108.5
C15C_1—C14C_1—C13C_1	115 (2)	C27C_3—O1C_3—C26C_3	110.6 (17)
C19C_1—C14C_1—C13C_1	125 (2)	O1C_3—C27C_3—C28C_3	115.2 (19)
C16C_1—C15C_1—C14C_1	119.9 (18)	O1C_3—C27C_3—H27J_3	108.5
C16C_1—C15C_1—H15J_1	120.0	C28C_3—C27C_3—H27J_3	108.5
C14C_1—C15C_1—H15J_1	120.0	O1C_3—C27C_3—H27K_3	108.5
F1C_1—C16C_1—C17C_1	121 (2)	C28C_3—C27C_3—H27K_3	108.5
F1C_1—C16C_1—C15C_1	119 (2)	H27J_3—C27C_3—H27K_3	107.5
C17C_1—C16C_1—C15C_1	120.4 (17)	C29C_3—C28C_3—C33C_3	118.1 (16)
C16C_1—C17C_1—C18C_1	119.7 (18)	C29C_3—C28C_3—C27C_3	120.1 (19)
C16C_1—C17C_1—H17J_1	120.2	C33C_3—C28C_3—C27C_3	121.8 (19)
C18C_1—C17C_1—H17J_1	120.2	C30C_3—C29C_3—C28C_3	120.8 (18)
C17C_1—C18C_1—C19C_1	120.1 (18)	C30C_3—C29C_3—H29J_3	119.6
C17C_1—C18C_1—C20C_1	120.1 (14)	C28C_3—C29C_3—H29J_3	119.6
C19C_1—C18C_1—C20C_1	119.8 (14)	C29C_3—C30C_3—C31C_3	120.4 (18)
O2C_1—C19C_1—C14C_1	121 (2)	C29C_3—C30C_3—H30J_3	119.8
O2C_1—C19C_1—C18C_1	119 (2)	C31C_3—C30C_3—H30J_3	119.8
C14C_1—C19C_1—C18C_1	120.0 (17)	C32C_3—C31C_3—C30C_3	119.4 (18)
C19C_1—O2C_1—Fe2_1	125 (4)	C32C_3—C31C_3—H31J_3	120.3
C13C_1—N2C_1—Fe2_1	120 (5)	C30C_3—C31C_3—H31J_3	120.3
C21C_1—C20C_1—C25C_1	119.9 (19)	C33C_3—C32C_3—C31C_3	119.4 (18)
C21C_1—C20C_1—C18C_1	120.2 (14)	C32C_3—C33C_3—C28C_3	121.8 (17)
C25C_1—C20C_1—C18C_1	119.9 (14)	C32C_3—C33C_3—H33J_3	119.1
C20C_1—C21C_1—C22C_1	120.1 (19)	C28C_3—C33C_3—H33J_3	119.1
C20C_1—C21C_1—H21J_1	119.9	C21D_3—C20D_3—C25D_3	120.2 (18)
C22C_1—C21C_1—H21J_1	119.9	C20D_3—C21D_3—C22D_3	119.7 (18)
C21C_1—C22C_1—C23C_1	120.0 (19)	C20D_3—C21D_3—H21M_3	120.1
C21C_1—C22C_1—H22J_1	120.0	C22D_3—C21D_3—H21M_3	120.1
C23C_1—C22C_1—H22J_1	120.0	C21D_3—C22D_3—C23D_3	120.4 (18)
C24C_1—C23C_1—C22C_1	119.8 (18)	C21D_3—C22D_3—H22M_3	119.8
C24C_1—C23C_1—H23J_1	120.1	C23D_3—C22D_3—H22M_3	119.8
C22C_1—C23C_1—H23J_1	120.1	C24D_3—C23D_3—C22D_3	119.4 (18)
C25C_1—C24C_1—C23C_1	120.2 (17)	C24D_3—C23D_3—H23M_3	120.3
C25C_1—C24C_1—C26C_1	120 (2)	C22D_3—C23D_3—H23M_3	120.3
C23C_1—C24C_1—C26C_1	119 (2)	C25D_3—C24D_3—C23D_3	120.3 (16)
C24C_1—C25C_1—C20C_1	119.9 (18)	C25D_3—C24D_3—C26D_3	121 (2)
C24C_1—C25C_1—H25J_1	120.1	C23D_3—C24D_3—C26D_3	119 (2)
C20C_1—C25C_1—H25J_1	120.1	C20D_3—C25D_3—C24D_3	119.7 (17)
O1C_1—C26C_1—C24C_1	108 (2)	C20D_3—C25D_3—H25M_3	120.1
O1C_1—C26C_1—H26J_1	110.1	C24D_3—C25D_3—H25M_3	120.1
C24C_1—C26C_1—H26J_1	110.1	O1D_3—C26D_3—C24D_3	107 (2)
O1C_1—C26C_1—H26K_1	110.1	O1D_3—C26D_3—H26M_3	110.3
C24C_1—C26C_1—H26K_1	110.1	C24D_3—C26D_3—H26M_3	110.3
H26J_1—C26C_1—H26K_1	108.4	O1D_3—C26D_3—H26N_3	110.3
C27C_1—O1C_1—C26C_1	109.7 (18)	C24D_3—C26D_3—H26N_3	110.3
O1C_1—C27C_1—C28C_1	110 (2)	H26M_3—C26D_3—H26N_3	108.5
O1C_1—C27C_1—H27J_1	109.6	C26D_3—O1D_3—C27D_3	108.6 (18)
C28C_1—C27C_1—H27J_1	109.6	O1D_3—C27D_3—C28D_3	106.3 (18)
O1C_1—C27C_1—H27K_1	109.6	O1D_3—C27D_3—H27M_3	110.5
C28C_1—C27C_1—H27K_1	109.6	C28D_3—C27D_3—H27M_3	110.5
H27J_1—C27C_1—H27K_1	108.1	O1D_3—C27D_3—H27N_3	110.5
C29C_1—C28C_1—C33C_1	119.9 (17)	C28D_3—C27D_3—H27N_3	110.5
C29C_1—C28C_1—C27C_1	120 (2)	H27M_3—C27D_3—H27N_3	108.7
C33C_1—C28C_1—C27C_1	120 (2)	C33D_3—C28D_3—C29D_3	120.1 (16)
C30C_1—C29C_1—C28C_1	120.2 (18)	C33D_3—C28D_3—C27D_3	121 (2)
C30C_1—C29C_1—H29J_1	119.9	C29D_3—C28D_3—C27D_3	119.3 (19)
C28C_1—C29C_1—H29J_1	119.9	C28D_3—C29D_3—C30D_3	120.1 (18)
C31C_1—C30C_1—C29C_1	119.9 (19)	C28D_3—C29D_3—H29M_3	119.9
C31C_1—C30C_1—H30J_1	120.1	C30D_3—C29D_3—H29M_3	119.9
C29C_1—C30C_1—H30J_1	120.1	C29D_3—C30D_3—C31D_3	119.7 (18)
C30C_1—C31C_1—C32C_1	120.0 (19)	C29D_3—C30D_3—H30M_3	120.1
C30C_1—C31C_1—H31J_1	120.0	C31D_3—C30D_3—H30M_3	120.1
C32C_1—C31C_1—H31J_1	120.0	C32D_3—C31D_3—C30D_3	120.2 (18)
C33C_1—C32C_1—C31C_1	120.1 (19)	C32D_3—C31D_3—H31M_3	119.9
C33C_1—C32C_1—C34C_1	119.9 (14)	C30D_3—C31D_3—H31M_3	119.9
C31C_1—C32C_1—C34C_1	119.8 (14)	C31D_3—C32D_3—C33D_3	119.8 (18)
C32C_1—C33C_1—C28C_1	119.9 (18)	C28D_3—C33D_3—C32D_3	120.0 (18)
C32C_1—C33C_1—H33J_1	120.1	C28D_3—C33D_3—H33M_3	120.0
C28C_1—C33C_1—H33J_1	120.1	C32D_3—C33D_3—H33M_3	120.0
C35C_1—C34C_1—C39C_1	120.3 (18)	C42_3—C41_3—C46_3	119.2 (4)
C35C_1—C34C_1—C32C_1	119.8 (14)	C42_3—C41_3—N3_3	119.3 (4)
C39C_1—C34C_1—C32C_1	119.9 (13)	C46_3—C41_3—N3_3	121.3 (4)
C36C_1—C35C_1—C34C_1	119.8 (18)	C43_3—C42_3—C41_3	120.1 (4)
C36C_1—C35C_1—H35J_1	120.1	C43_3—C42_3—H42_3	120.0
C34C_1—C35C_1—H35J_1	120.1	C41_3—C42_3—H42_3	120.0
F2C_1—C36C_1—C37C_1	120 (2)	C42_3—C43_3—C44_3	121.2 (4)
F2C_1—C36C_1—C35C_1	120 (2)	C42_3—C43_3—H43_3	119.4
C37C_1—C36C_1—C35C_1	120.4 (17)	C44_3—C43_3—H43_3	119.4
C36C_1—C37C_1—C38C_1	119.9 (18)	C45_3—C44_3—C43_3	117.8 (4)
C36C_1—C37C_1—H37J_1	120.1	C45_3—C44_3—C47_3	122.6 (4)
C38C_1—C37C_1—H37J_1	120.1	C43_3—C44_3—C47_3	119.5 (4)
C37C_1—C38C_1—C39C_1	120.1 (16)	C46_3—C45_3—C44_3	121.5 (5)
C37C_1—C38C_1—C40C_1	115 (2)	C46_3—C45_3—H45_3	119.2
C39C_1—C38C_1—C40C_1	124 (2)	C44_3—C45_3—H45_3	119.2
O3C_1—C39C_1—C34C_1	118 (2)	C45_3—C46_3—C41_3	120.0 (4)
O3C_1—C39C_1—C38C_1	122 (2)	C45_3—C46_3—H46_3	120.0
C34C_1—C39C_1—C38C_1	119.6 (16)	C41_3—C46_3—H46_3	120.0
N3C_1—C40C_1—C38C_1	125 (3)	C52_3—C47_3—C48_3	116.1 (4)
N3C_1—C40C_1—H40J_1	117.3	C52_3—C47_3—C44_3	123.0 (4)
C38C_1—C40C_1—H40J_1	117.3	C48_3—C47_3—C44_3	120.8 (4)
C39C_1—O3C_1—Fe1_1	131 (3)	C49_3—C48_3—N1_3	110.8 (4)
C40C_1—N3C_1—C41_1	118 (2)	C49_3—C48_3—C47_3	121.6 (4)
C40C_1—N3C_1—Fe1_1	120 (5)	N1_3—C48_3—C47_3	127.7 (4)
C41_1—N3C_1—Fe1_1	117.9 (18)	C48_3—C49_3—C50_3	120.5 (4)
C35D_1—C34D_1—C39D_1	119.9 (14)	C48_3—C49_3—C2_3	106.4 (4)
C34D_1—C35D_1—C36D_1	120.1 (14)	C50_3—C49_3—C2_3	133.0 (4)
C34D_1—C35D_1—H35M_1	119.9	C49_3—C50_3—C51_3	119.4 (4)
C36D_1—C35D_1—H35M_1	119.9	C49_3—C50_3—H50_3	120.3
F2D_1—C36D_1—C37D_1	119.1 (14)	C51_3—C50_3—H50_3	120.3
F2D_1—C36D_1—C35D_1	119.4 (14)	C50_3—C51_3—C52_3	118.4 (4)
C37D_1—C36D_1—C35D_1	121.4 (13)	C50_3—C51_3—C60_3	122.0 (4)
C36D_1—C37D_1—C38D_1	118.6 (13)	C52_3—C51_3—C60_3	119.5 (4)
C36D_1—C37D_1—H37M_1	120.7	C47_3—C52_3—C51_3	123.9 (4)
C38D_1—C37D_1—H37M_1	120.7	C47_3—C52_3—H52_3	118.1
C37D_1—C38D_1—C39D_1	120.5 (13)	C51_3—C52_3—H52_3	118.1
C37D_1—C38D_1—C40D_1	114.6 (15)	N1_3—C53_3—C54_3	112.1 (4)
C39D_1—C38D_1—C40D_1	124.6 (15)	N1_3—C53_3—H53A_3	109.2
O3D_1—C39D_1—C38D_1	122.6 (16)	C54_3—C53_3—H53A_3	109.2
O3D_1—C39D_1—C34D_1	118.3 (16)	N1_3—C53_3—H53B_3	109.2
C38D_1—C39D_1—C34D_1	119.0 (13)	C54_3—C53_3—H53B_3	109.2
N3D_1—C40D_1—C38D_1	125 (2)	H53A_3—C53_3—H53B_3	107.9
N3D_1—C40D_1—H40M_1	117.4	C55_3—C54_3—C53_3	112.2 (4)
C38D_1—C40D_1—H40M_1	117.4	C55_3—C54_3—H54A_3	109.2
C39D_1—O3D_1—Fe1_1	130.8 (18)	C53_3—C54_3—H54A_3	109.2
C40D_1—N3D_1—C41_1	116.6 (16)	C55_3—C54_3—H54B_3	109.2
C40D_1—N3D_1—Fe1_1	123.7 (15)	C53_3—C54_3—H54B_3	109.2
C41_1—N3D_1—Fe1_1	119.4 (15)	H54A_3—C54_3—H54B_3	107.9
C01A_1—N01A_1—Fe2_1	142.3 (6)	C56_3—C55_3—C54_3	115.6 (4)
N01A_1—C01A_1—C01B_1	165.2 (8)	C56A_3—C55_3—C54_3	110.5 (9)
C01A_1—C01B_1—H1ZA_1	109.5	C56_3—C55_3—H55A_3	108.4
C01A_1—C01B_1—H1ZB_1	109.5	C54_3—C55_3—H55A_3	108.4
H1ZA_1—C01B_1—H1ZB_1	109.5	C56_3—C55_3—H55B_3	108.4
C01A_1—C01B_1—H1ZC_1	109.5	C54_3—C55_3—H55B_3	108.4
H1ZA_1—C01B_1—H1ZC_1	109.5	H55A_3—C55_3—H55B_3	107.4
H1ZB_1—C01B_1—H1ZC_1	109.5	C56A_3—C55_3—H55D_3	109.6
Cl02_1—C04A_1—Cl01_1	112.5 (3)	C54_3—C55_3—H55D_3	109.6
Cl02_1—C04A_1—H4ZA_1	109.1	C56A_3—C55_3—H55E_3	109.6
Cl01_1—C04A_1—H4ZA_1	109.1	C54_3—C55_3—H55E_3	109.6
Cl02_1—C04A_1—H4ZB_1	109.1	H55D_3—C55_3—H55E_3	108.1
Cl01_1—C04A_1—H4ZB_1	109.1	C55_3—C56_3—C57_3	114.8 (4)
H4ZA_1—C04A_1—H4ZB_1	107.8	C55_3—C56_3—H56A_3	108.6
C04A_1—Cl02_1—Fe1_1	109.0 (9)	C57_3—C56_3—H56A_3	108.6
C19_2—O2_2—Fe3_2	132.3 (3)	C55_3—C56_3—H56B_3	108.6
C13_2—N2_2—C10_2	118.5 (4)	C57_3—C56_3—H56B_3	108.6
C13_2—N2_2—Fe3_2	125.0 (3)	H56A_3—C56_3—H56B_3	107.5
C10_2—N2_2—Fe3_2	116.1 (3)	C58_3—C57_3—C56_3	113.1 (4)
O2_2—Fe3_2—O7_2	119.0 (4)	C58_3—C57_3—H57A_3	109.0
O2_2—Fe3_2—O5_2	120.87 (14)	C56_3—C57_3—H57A_3	109.0
O7_2—Fe3_2—O5_2	109.4 (4)	C58_3—C57_3—H57B_3	109.0
O2_2—Fe3_2—O7A_2	124.4 (14)	C56_3—C57_3—H57B_3	109.0
O5_2—Fe3_2—O7A_2	107.5 (15)	H57A_3—C57_3—H57B_3	107.8
O2_2—Fe3_2—N2_2	89.53 (14)	C57A_3—C56A_3—C55_3	113.0 (18)
O7_2—Fe3_2—N2_2	108.6 (4)	C57A_3—C56A_3—H56D_3	109.0
O5_2—Fe3_2—N2_2	105.78 (14)	C55_3—C56A_3—H56D_3	109.0
O7A_2—Fe3_2—N2_2	102.9 (14)	C57A_3—C56A_3—H56E_3	109.0
C40_2—N3_2—C41_2	115.6 (4)	C55_3—C56A_3—H56E_3	109.0
C40_2—N3_2—Fe4_2	124.5 (3)	H56D_3—C56A_3—H56E_3	107.8
C41_2—N3_2—Fe4_2	119.8 (3)	C58_3—C57A_3—C56A_3	114.0 (18)
O3A_2—Fe4_2—O4_2	133.3 (18)	C58_3—C57A_3—H57D_3	108.7
O3_2—Fe4_2—O4_2	128.2 (8)	C56A_3—C57A_3—H57D_3	108.7
O3_2—Fe4_2—O6_2	119.2 (9)	C58_3—C57A_3—H57E_3	108.7
O4_2—Fe4_2—O6_2	111.7 (3)	C56A_3—C57A_3—H57E_3	108.7
O4_2—Fe4_2—O3B_2	140.2 (11)	H57D_3—C57A_3—H57E_3	107.6
O3A_2—Fe4_2—O6A_2	122 (2)	C57A_3—C58_3—C59_3	125.7 (13)
O4_2—Fe4_2—O6A_2	103.7 (12)	C57_3—C58_3—C59_3	116.2 (4)
O3A_2—Fe4_2—N3_2	89.8 (11)	C57_3—C58_3—H58A_3	108.2
O3_2—Fe4_2—N3_2	86.8 (6)	C59_3—C58_3—H58A_3	108.2
O4_2—Fe4_2—N3_2	96.89 (14)	C57_3—C58_3—H58B_3	108.2
O6_2—Fe4_2—N3_2	96.5 (3)	C59_3—C58_3—H58B_3	108.2
O3B_2—Fe4_2—N3_2	82.1 (9)	H58A_3—C58_3—H58B_3	107.4
O6A_2—Fe4_2—N3_2	96.1 (14)	C57A_3—C58_3—H58D_3	105.9
O3A_2—Fe4_2—N02A_3	83.0 (11)	C59_3—C58_3—H58D_3	105.9
O3_2—Fe4_2—N02A_3	85.6 (6)	C57A_3—C58_3—H58E_3	105.9
O4_2—Fe4_2—N02A_3	85.59 (15)	C59_3—C58_3—H58E_3	105.9
O6_2—Fe4_2—N02A_3	89.7 (3)	H58D_3—C58_3—H58E_3	106.2
O3B_2—Fe4_2—N02A_3	91.0 (8)	O4_3—C59_3—O5_3	124.3 (4)
O6A_2—Fe4_2—N02A_3	90.7 (14)	O4_3—C59_3—C58_3	118.2 (4)
N3_2—Fe4_2—N02A_3	171.90 (16)	O5_3—C59_3—C58_3	117.5 (4)
C59_2—O4_2—Fe4_2	139.2 (3)	C63_3—C60_3—C61_3	108.0 (5)
C59_2—O5_2—Fe3_2	146.4 (3)	C63_3—C60_3—C62_3	109.6 (5)
C6_2—C1_2—N1_2	128.7 (4)	C61_3—C60_3—C62_3	109.2 (5)
C6_2—C1_2—C2_2	121.2 (4)	C63_3—C60_3—C51_3	110.0 (4)
N1_2—C1_2—C2_2	110.1 (3)	C61_3—C60_3—C51_3	111.7 (4)
C3_2—C2_2—C1_2	119.7 (4)	C62_3—C60_3—C51_3	108.3 (5)
C3_2—C2_2—C49_2	133.7 (4)	C60_3—C61_3—H61A_3	109.5
C1_2—C2_2—C49_2	106.6 (3)	C60_3—C61_3—H61B_3	109.5
C2_2—C3_2—C4_2	120.9 (4)	H61A_3—C61_3—H61B_3	109.5
C2_2—C3_2—H3_2	119.5	C60_3—C61_3—H61C_3	109.5
C4_2—C3_2—H3_2	119.5	H61A_3—C61_3—H61C_3	109.5
C3_2—C4_2—C5_2	117.8 (4)	H61B_3—C61_3—H61C_3	109.5
C3_2—C4_2—C64_2	120.6 (4)	C60_3—C62_3—H62A_3	109.5
C5_2—C4_2—C64_2	121.6 (4)	C60_3—C62_3—H62B_3	109.5
C6_2—C5_2—C4_2	123.3 (4)	H62A_3—C62_3—H62B_3	109.5
C6_2—C5_2—H5_2	118.4	C60_3—C62_3—H62C_3	109.5
C4_2—C5_2—H5_2	118.4	H62A_3—C62_3—H62C_3	109.5
C5_2—C6_2—C1_2	117.0 (4)	H62B_3—C62_3—H62C_3	109.5
C5_2—C6_2—C7_2	121.1 (4)	C60_3—C63_3—H63A_3	109.5
C1_2—C6_2—C7_2	121.9 (4)	C60_3—C63_3—H63B_3	109.5
C52_2—C47_2—C48_2	116.2 (4)	H63A_3—C63_3—H63B_3	109.5
C52_2—C47_2—C44_2	122.1 (4)	C60_3—C63_3—H63C_3	109.5
C48_2—C47_2—C44_2	121.7 (4)	H63A_3—C63_3—H63C_3	109.5
C49_2—C48_2—C47_2	121.5 (4)	H63B_3—C63_3—H63C_3	109.5
C49_2—C48_2—N1_2	110.1 (3)	C66_3—C64_3—C65_3	109.6 (9)
C47_2—C48_2—N1_2	128.4 (4)	C66_3—C64_3—C4_3	112.5 (13)
C48_2—C49_2—C50_2	120.0 (4)	C65A_3—C64_3—C4_3	112.1 (12)
C48_2—C49_2—C2_2	107.0 (3)	C65_3—C64_3—C4_3	112.0 (10)
C50_2—C49_2—C2_2	133.0 (4)	C67B_3—C64_3—C4_3	113 (2)
C51_2—C50_2—C49_2	120.2 (4)	C66_3—C64_3—C67_3	109.6 (9)
C51_2—C50_2—H50_2	119.9	C65_3—C64_3—C67_3	108.6 (8)
C49_2—C50_2—H50_2	119.9	C4_3—C64_3—C67_3	104.4 (10)
C50_2—C51_2—C52_2	118.0 (4)	C67B_3—C64_3—C65B_3	107.9 (14)
C50_2—C51_2—C60_2	123.3 (4)	C4_3—C64_3—C65B_3	110 (2)
C52_2—C51_2—C60_2	118.7 (4)	C65A_3—C64_3—C66A_3	109.0 (10)
C47_2—C52_2—C51_2	123.8 (4)	C4_3—C64_3—C66A_3	108.9 (14)
C47_2—C52_2—H52_2	118.1	C65A_3—C64_3—C67A_3	108.6 (9)
C51_2—C52_2—H52_2	118.1	C4_3—C64_3—C67A_3	111.8 (13)
C1_2—N1_2—C48_2	106.3 (3)	C66A_3—C64_3—C67A_3	106.3 (9)
C1_2—N1_2—C53_2	118.6 (3)	C67B_3—C64_3—C66B_3	107.2 (14)
C48_2—N1_2—C53_2	118.7 (3)	C4_3—C64_3—C66B_3	112 (2)
C8_2—C7_2—C12_2	118.7 (4)	C65B_3—C64_3—C66B_3	107.0 (14)
C8_2—C7_2—C6_2	121.3 (4)	C64_3—C65_3—H65A_3	109.5
C12_2—C7_2—C6_2	120.0 (4)	C64_3—C65_3—H65B_3	109.5
C7_2—C8_2—C9_2	120.6 (4)	H65A_3—C65_3—H65B_3	109.5
C7_2—C8_2—H8_2	119.7	C64_3—C65_3—H65C_3	109.5
C9_2—C8_2—H8_2	119.7	H65A_3—C65_3—H65C_3	109.5
C10_2—C9_2—C8_2	119.5 (4)	H65B_3—C65_3—H65C_3	109.5
C10_2—C9_2—H9_2	120.3	C64_3—C66_3—H66A_3	109.5
C8_2—C9_2—H9_2	120.3	C64_3—C66_3—H66B_3	109.5
C9_2—C10_2—C11_2	120.5 (4)	H66A_3—C66_3—H66B_3	109.5
C9_2—C10_2—N2_2	121.7 (4)	C64_3—C66_3—H66C_3	109.5
C11_2—C10_2—N2_2	117.8 (4)	H66A_3—C66_3—H66C_3	109.5
C12_2—C11_2—C10_2	119.4 (4)	H66B_3—C66_3—H66C_3	109.5
C12_2—C11_2—H11_2	120.3	C64_3—C67_3—H67A_3	109.5
C10_2—C11_2—H11_2	120.3	C64_3—C67_3—H67B_3	109.5
C11_2—C12_2—C7_2	121.1 (4)	H67A_3—C67_3—H67B_3	109.5
C11_2—C12_2—H12_2	119.4	C64_3—C67_3—H67C_3	109.5
C7_2—C12_2—H12_2	119.4	H67A_3—C67_3—H67C_3	109.5
N2_2—C13_2—C14_2	126.3 (4)	H67B_3—C67_3—H67C_3	109.5
N2_2—C13_2—H13_2	116.8	C64_3—C65A_3—H65D_3	109.5
C14_2—C13_2—H13_2	116.8	C64_3—C65A_3—H65E_3	109.5
C15_2—C14_2—C19_2	121.1 (4)	H65D_3—C65A_3—H65E_3	109.5
C15_2—C14_2—C13_2	115.6 (4)	C64_3—C65A_3—H65F_3	109.5
C19_2—C14_2—C13_2	123.2 (4)	H65D_3—C65A_3—H65F_3	109.5
C16_2—C15_2—C14_2	118.4 (4)	H65E_3—C65A_3—H65F_3	109.5
C16_2—C15_2—H15_2	120.8	C64_3—C66A_3—H66D_3	109.5
C14_2—C15_2—H15_2	120.8	C64_3—C66A_3—H66E_3	109.5
F1_2—C16_2—C15_2	119.6 (4)	H66D_3—C66A_3—H66E_3	109.5
F1_2—C16_2—C17_2	118.3 (4)	C64_3—C66A_3—H66F_3	109.5
C15_2—C16_2—C17_2	122.1 (4)	H66D_3—C66A_3—H66F_3	109.5
C18_2—C17_2—C16_2	120.9 (4)	H66E_3—C66A_3—H66F_3	109.5
C18_2—C17_2—H17_2	119.5	C64_3—C67A_3—H67D_3	109.5
C16_2—C17_2—H17_2	119.5	C64_3—C67A_3—H67E_3	109.5
C17_2—C18_2—C19_2	119.6 (5)	H67D_3—C67A_3—H67E_3	109.5
C17_2—C18_2—C20_2	119.0 (7)	C64_3—C67A_3—H67F_3	109.5
C19_2—C18_2—C20_2	121.1 (7)	H67D_3—C67A_3—H67F_3	109.5
C17_2—C18_2—C20A_2	123.1 (11)	H67E_3—C67A_3—H67F_3	109.5
C19_2—C18_2—C20A_2	117.0 (11)	C64_3—C65B_3—H65G_3	109.5
C17_2—C18_2—C20B_2	118.4 (14)	C64_3—C65B_3—H65H_3	109.5
C19_2—C18_2—C20B_2	120.2 (14)	H65G_3—C65B_3—H65H_3	109.5
O2_2—C19_2—C14_2	123.3 (4)	C64_3—C65B_3—H65I_3	109.5
O2_2—C19_2—C18_2	118.9 (4)	H65G_3—C65B_3—H65I_3	109.5
C14_2—C19_2—C18_2	117.7 (4)	H65H_3—C65B_3—H65I_3	109.5
C25_2—C20_2—C21_2	119.5 (8)	C64_3—C66B_3—H66G_3	109.5
C25_2—C20_2—C18_2	120.1 (10)	C64_3—C66B_3—H66H_3	109.5
C21_2—C20_2—C18_2	120.3 (10)	H66G_3—C66B_3—H66H_3	109.5
C22_2—C21_2—C20_2	120.9 (8)	C64_3—C66B_3—H66I_3	109.5
C22_2—C21_2—H21_2	119.5	H66G_3—C66B_3—H66I_3	109.5
C20_2—C21_2—H21_2	119.5	H66H_3—C66B_3—H66I_3	109.5
C21_2—C22_2—C23_2	120.0 (8)	C64_3—C67B_3—H67G_3	109.5
C21_2—C22_2—H22_2	120.0	C64_3—C67B_3—H67H_3	109.5
C23_2—C22_2—H22_2	120.0	H67G_3—C67B_3—H67H_3	109.5
C22_2—C23_2—C24_2	119.5 (8)	C64_3—C67B_3—H67I_3	109.5
C22_2—C23_2—H23_2	120.3	H67G_3—C67B_3—H67I_3	109.5
C24_2—C23_2—H23_2	120.3	H67H_3—C67B_3—H67I_3	109.5
C25_2—C24_2—C23_2	120.1 (8)	O6_3—C68_3—O7_3	126.1 (4)
C25_2—C24_2—C26_2	121.4 (8)	O6_3—C68_3—C69_3	116.4 (4)
C23_2—C24_2—C26_2	118.3 (8)	O7_3—C68_3—C69_3	117.5 (4)
C20_2—C25_2—C24_2	120.0 (8)	C70_3—C69_3—C82_3	120.8 (4)
C20_2—C25_2—H25_2	120.0	C70_3—C69_3—C68_3	119.5 (4)
C24_2—C25_2—H25_2	120.0	C82_3—C69_3—C68_3	119.7 (4)
O1_2—C26_2—C24_2	107.1 (9)	C69_3—C70_3—C71_3	122.1 (4)
O1_2—C26_2—H26A_2	110.3	C69_3—C70_3—C75_3	119.0 (4)
C24_2—C26_2—H26A_2	110.3	C71_3—C70_3—C75_3	118.9 (4)
O1_2—C26_2—H26B_2	110.3	C72_3—C71_3—C70_3	120.6 (5)
C24_2—C26_2—H26B_2	110.3	C72_3—C71_3—H71_3	119.7
H26A_2—C26_2—H26B_2	108.6	C70_3—C71_3—H71_3	119.7
C26_2—O1_2—C27_2	109.8 (9)	C71_3—C72_3—C73_3	120.4 (5)
O1_2—C27_2—C28_2	108.9 (10)	C71_3—C72_3—H72_3	119.8
O1_2—C27_2—H27A_2	109.9	C73_3—C72_3—H72_3	119.8
C28_2—C27_2—H27A_2	109.9	C74_3—C73_3—C72_3	120.7 (6)
O1_2—C27_2—H27B_2	109.9	C74_3—C73_3—H73_3	119.6
C28_2—C27_2—H27B_2	109.9	C72_3—C73_3—H73_3	119.6
H27A_2—C27_2—H27B_2	108.3	C73_3—C74_3—C75_3	120.9 (6)
C33_2—C28_2—C29_2	119.0 (9)	C73_3—C74_3—H74_3	119.6
C33_2—C28_2—C27_2	121.4 (9)	C75_3—C74_3—H74_3	119.6
C29_2—C28_2—C27_2	119.4 (9)	C76_3—C75_3—C74_3	121.3 (5)
C30_2—C29_2—C28_2	119.8 (9)	C76_3—C75_3—C70_3	120.3 (4)
C30_2—C29_2—H29_2	120.1	C74_3—C75_3—C70_3	118.4 (5)
C28_2—C29_2—H29_2	120.1	C75_3—C76_3—C77_3	121.2 (5)
C31_2—C30_2—C29_2	120.4 (10)	C75_3—C76_3—H76_3	119.4
C31_2—C30_2—H30_2	119.8	C77_3—C76_3—H76_3	119.4
C29_2—C30_2—H30_2	119.8	C76_3—C77_3—C78_3	121.8 (4)
C30_2—C31_2—C32_2	120.3 (9)	C76_3—C77_3—C82_3	120.0 (4)
C30_2—C31_2—H31_2	119.9	C78_3—C77_3—C82_3	118.2 (4)
C32_2—C31_2—H31_2	119.9	C79_3—C78_3—C77_3	121.4 (5)
C33_2—C32_2—C31_2	119.0 (8)	C79_3—C78_3—H78_3	119.3
C33_2—C32_2—C34_2	120.4 (8)	C77_3—C78_3—H78_3	119.3
C31_2—C32_2—C34_2	120.5 (9)	C78_3—C79_3—C80_3	120.1 (4)
C32_2—C33_2—C28_2	121.2 (9)	C78_3—C79_3—H79_3	119.9
C32_2—C33_2—H33_2	119.4	C80_3—C79_3—H79_3	119.9
C28_2—C33_2—H33_2	119.4	C81_3—C80_3—C79_3	120.9 (4)
C35_2—C34_2—C39_2	119.4 (8)	C81_3—C80_3—H80_3	119.6
C35_2—C34_2—C32_2	119.1 (8)	C79_3—C80_3—H80_3	119.6
C39_2—C34_2—C32_2	121.5 (8)	C80_3—C81_3—C82_3	120.7 (4)
C36_2—C35_2—C34_2	120.9 (8)	C80_3—C81_3—H81_3	119.7
C36_2—C35_2—H35_2	119.6	C82_3—C81_3—H81_3	119.7
C34_2—C35_2—H35_2	119.6	C69_3—C82_3—C81_3	122.6 (4)
F2_2—C36_2—C37_2	118.8 (10)	C69_3—C82_3—C77_3	118.7 (4)
F2_2—C36_2—C35_2	119.5 (9)	C81_3—C82_3—C77_3	118.7 (4)
C37_2—C36_2—C35_2	121.7 (8)	Fe1_3—O8_3—Fe2_3	106.44 (13)
C36_2—C37_2—C38_2	118.7 (9)	Fe1_3—O8_3—HO1_3	98 (4)
C36_2—C37_2—H37_2	120.7	Fe2_3—O8_3—HO1_3	124 (4)
C38_2—C37_2—H37_2	120.7	Fe1_3—O8_3—HO2_3	119 (4)
C37_2—C38_2—C39_2	121.5 (9)	Fe2_3—O8_3—HO2_3	113 (4)
C37_2—C38_2—C40_2	115.6 (10)	HO1_3—O8_3—HO2_3	96 (5)
C39_2—C38_2—C40_2	122.8 (10)	N03A_3—C03A_3—C03B_3	178.1 (10)
O3_2—C39_2—C38_2	123.3 (10)	C03A_3—C03B_3—H3ZA_3	109.5
O3_2—C39_2—C34_2	118.9 (10)	C03A_3—C03B_3—H3ZB_3	109.5
C38_2—C39_2—C34_2	117.8 (8)	H3ZA_3—C03B_3—H3ZB_3	109.5
C39_2—O3_2—Fe4_2	133.6 (14)	C03A_3—C03B_3—H3ZC_3	109.5
C21A_2—C20A_2—C25A_2	118.9 (12)	H3ZA_3—C03B_3—H3ZC_3	109.5
C21A_2—C20A_2—C18_2	114.7 (16)	H3ZB_3—C03B_3—H3ZC_3	109.5
C25A_2—C20A_2—C18_2	126.4 (16)	C02A_3—N02A_3—Fe4_2	155.9 (5)
C22A_2—C21A_2—C20A_2	120.3 (13)	N02A_3—C02A_3—C02B_3	174.8 (6)
C22A_2—C21A_2—H21D_2	119.8	C02A_3—C02B_3—H2ZA_3	109.5
C20A_2—C21A_2—H21D_2	119.8	C02A_3—C02B_3—H2ZB_3	109.5
C21A_2—C22A_2—C23A_2	119.8 (14)	H2ZA_3—C02B_3—H2ZB_3	109.5
C21A_2—C22A_2—H22D_2	120.1	C02A_3—C02B_3—H2ZC_3	109.5
C23A_2—C22A_2—H22D_2	120.1	H2ZA_3—C02B_3—H2ZC_3	109.5
C24A_2—C23A_2—C22A_2	121.1 (13)	H2ZB_3—C02B_3—H2ZC_3	109.5

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O8_3—HO2_3···N03A_3	0.86 (1)	2.05 (2)	2.884 (7)	165 (6)