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. 2008 Feb 27;64(Pt 3):o625. doi: 10.1107/S160053680800473X
C1A—O1A 1.3378 (15) C1B—O1B 1.3413 (15)
C1A—C6A 1.3924 (18) C1B—C6B 1.3925 (18)
C1A—C2A 1.3981 (18) C1B—C2B 1.3996 (17)
C2A—C3A 1.3908 (18) C2B—C3B 1.3882 (17)
C2A—N1A 1.4425 (16) C2B—N1B 1.4473 (15)
C3A—C4A 1.3713 (18) C3B—C4B 1.3755 (17)
C3A—H3A 0.9500 C3B—H3B 0.9500
C4A—C5A 1.4008 (18) C4B—C5B 1.3994 (17)
C4A—C7A 1.5000 (18) C4B—C7B 1.5030 (17)
C5A—C6A 1.3682 (19) C5B—C6B 1.3691 (18)
C5A—H5A 0.9500 C5B—H5B 0.9500
C6A—H6A 0.9500 C6B—H6B 0.9500
C7A—N2A 1.4928 (16) C7B—N2B 1.4852 (15)
C7A—H7A 0.9900 C7B—H7C 0.9900
C7A—H7B 0.9900 C7B—H7D 0.9900
C8A—N2A 1.4759 (16) C8B—N2B 1.4788 (16)
C8A—H8A 0.9800 C8B—H8D 0.9800
C8A—H8B 0.9800 C8B—H8E 0.9800
C8A—H8C 0.9800 C8B—H8F 0.9800
N1A—O3A 1.2109 (15) N1B—O3B 1.2125 (14)
N1A—O2A 1.2406 (15) N1B—O2B 1.2350 (14)
N2A—H2A 0.9200 N2B—H2C 0.9200
N2A—H2B 0.9200 N2B—H2D 0.9200
O1A—H1A 0.8400 O1B—H1B 0.8400
O1A—C1A—C6A 116.81 (12) O1B—C1B—C6B 117.37 (11)
O1A—C1A—C2A 126.21 (12) O1B—C1B—C2B 125.88 (12)
C6A—C1A—C2A 116.98 (12) C6B—C1B—C2B 116.74 (11)
C3A—C2A—C1A 121.68 (12) C3B—C2B—C1B 122.28 (11)
C3A—C2A—N1A 117.71 (11) C3B—C2B—N1B 117.56 (11)
C1A—C2A—N1A 120.61 (11) C1B—C2B—N1B 120.15 (11)
C4A—C3A—C2A 120.34 (12) C4B—C3B—C2B 119.98 (11)
C4A—C3A—H3A 119.8 C4B—C3B—H3B 120.0
C2A—C3A—H3A 119.8 C2B—C3B—H3B 120.0
C3A—C4A—C5A 118.47 (12) C3B—C4B—C5B 118.22 (11)
C3A—C4A—C7A 119.74 (12) C3B—C4B—C7B 122.67 (11)
C5A—C4A—C7A 121.76 (12) C5B—C4B—C7B 119.08 (11)
C6A—C5A—C4A 121.07 (12) C6B—C5B—C4B 121.63 (12)
C6A—C5A—H5A 119.5 C6B—C5B—H5B 119.2
C4A—C5A—H5A 119.5 C4B—C5B—H5B 119.2
C5A—C6A—C1A 121.45 (12) C5B—C6B—C1B 121.13 (12)
C5A—C6A—H6A 119.3 C5B—C6B—H6B 119.4
C1A—C6A—H6A 119.3 C1B—C6B—H6B 119.4
N2A—C7A—C4A 111.77 (10) N2B—C7B—C4B 113.02 (10)
N2A—C7A—H7A 109.3 N2B—C7B—H7C 109.0
C4A—C7A—H7A 109.3 C4B—C7B—H7C 109.0
N2A—C7A—H7B 109.3 N2B—C7B—H7D 109.0
C4A—C7A—H7B 109.3 C4B—C7B—H7D 109.0
H7A—C7A—H7B 107.9 H7C—C7B—H7D 107.8
N2A—C8A—H8A 109.5 N2B—C8B—H8D 109.5
N2A—C8A—H8B 109.5 N2B—C8B—H8E 109.5
H8A—C8A—H8B 109.5 H8D—C8B—H8E 109.5
N2A—C8A—H8C 109.5 N2B—C8B—H8F 109.5
H8A—C8A—H8C 109.5 H8D—C8B—H8F 109.5
H8B—C8A—H8C 109.5 H8E—C8B—H8F 109.5
O3A—N1A—O2A 122.35 (12) O3B—N1B—O2B 122.23 (11)
O3A—N1A—C2A 119.40 (12) O3B—N1B—C2B 118.92 (11)
O2A—N1A—C2A 118.25 (11) O2B—N1B—C2B 118.84 (10)
C8A—N2A—C7A 112.24 (11) C8B—N2B—C7B 111.57 (10)
C8A—N2A—H2A 109.2 C8B—N2B—H2C 109.3
C7A—N2A—H2A 109.2 C7B—N2B—H2C 109.3
C8A—N2A—H2B 109.2 C8B—N2B—H2D 109.3
C7A—N2A—H2B 109.2 C7B—N2B—H2D 109.3
H2A—N2A—H2B 107.9 H2C—N2B—H2D 108.0
C1A—O1A—H1A 109.5 C1B—O1B—H1B 109.5
O1A—C1A—C2A—C3A 179.66 (12) O1B—C1B—C2B—C3B 179.51 (12)
C6A—C1A—C2A—C3A −0.25 (19) C6B—C1B—C2B—C3B −1.17 (19)
O1A—C1A—C2A—N1A 0.0 (2) O1B—C1B—C2B—N1B 0.5 (2)
C6A—C1A—C2A—N1A −179.92 (11) C6B—C1B—C2B—N1B 179.83 (11)
C1A—C2A—C3A—C4A −0.80 (19) C1B—C2B—C3B—C4B 0.92 (19)
N1A—C2A—C3A—C4A 178.87 (11) N1B—C2B—C3B—C4B 179.94 (11)
C2A—C3A—C4A—C5A 1.30 (18) C2B—C3B—C4B—C5B 0.13 (18)
C2A—C3A—C4A—C7A −176.71 (11) C2B—C3B—C4B—C7B −178.01 (11)
C3A—C4A—C5A—C6A −0.77 (19) C3B—C4B—C5B—C6B −0.89 (19)
C7A—C4A—C5A—C6A 177.19 (12) C7B—C4B—C5B—C6B 177.32 (12)
C4A—C5A—C6A—C1A −0.3 (2) C4B—C5B—C6B—C1B 0.6 (2)
O1A—C1A—C6A—C5A −179.13 (12) O1B—C1B—C6B—C5B 179.78 (12)
C2A—C1A—C6A—C5A 0.8 (2) C2B—C1B—C6B—C5B 0.4 (2)
C3A—C4A—C7A—N2A −121.52 (13) C3B—C4B—C7B—N2B −46.81 (16)
C5A—C4A—C7A—N2A 60.54 (16) C5B—C4B—C7B—N2B 135.07 (12)
C3A—C2A—N1A—O3A 4.67 (18) C3B—C2B—N1B—O3B 3.65 (18)
C1A—C2A—N1A—O3A −175.66 (12) C1B—C2B—N1B—O3B −177.30 (12)
C3A—C2A—N1A—O2A −175.38 (12) C3B—C2B—N1B—O2B −176.18 (11)
C1A—C2A—N1A—O2A 4.30 (18) C1B—C2B—N1B—O2B 2.86 (18)
C4A—C7A—N2A—C8A 173.76 (12) C4B—C7B—N2B—C8B −166.60 (11)