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. 2008 Nov 8;64(Pt 12):o2274–o2275. doi: 10.1107/S1600536808035617
S1A—C8A 1.6988 (10) O1B—C2B 1.3668 (12)
O1A—C2A 1.3794 (11) O1B—H1OB 0.820 (17)
O1A—H1OA 0.814 (17) O2B—C3B 1.3633 (12)
O2A—C3A 1.3593 (12) O2B—C9B 1.4324 (12)
O2A—C9A 1.4322 (13) N1B—C7B 1.2836 (13)
N1A—C7A 1.2857 (12) N1B—N2B 1.3824 (11)
N1A—N2A 1.3794 (12) N2B—C8B 1.3373 (13)
N2A—C8A 1.3486 (12) N2B—H2NB 0.841 (17)
N2A—H2NA 0.928 (17) N3B—C8B 1.3292 (13)
N3A—C8A 1.3219 (13) N3B—H3NC 0.832 (17)
N3A—H3NA 0.847 (16) N3B—H3ND 0.875 (16)
N3A—H3NB 0.864 (15) C1B—C2B 1.3816 (13)
C1A—C2A 1.3776 (13) C1B—C6B 1.4016 (14)
C1A—C6A 1.4028 (13) C1B—H1BA 0.9300
C1A—H1AA 0.9300 C2B—C3B 1.4037 (13)
C2A—C3A 1.3993 (14) C3B—C4B 1.3905 (14)
C3A—C4A 1.3912 (13) C4B—C5B 1.3888 (13)
C4A—C5A 1.3890 (14) C4B—H4BA 0.9300
C4A—H4AA 0.9300 C5B—C6B 1.3966 (13)
C5A—C6A 1.3977 (14) C5B—H5BA 0.9300
C5A—H5AA 0.9300 C6B—C7B 1.4547 (13)
C6A—C7A 1.4550 (13) C7B—H7BA 0.9300
C7A—H7AA 0.9300 C9B—H9BA 0.9600
C9A—H9AA 0.9600 C9B—H9BB 0.9600
C9A—H9AB 0.9600 C9B—H9BC 0.9600
C9A—H9AC 0.9600 O1W—H2W1 0.8600
S1B—C8B 1.7090 (10) O1W—H1W1 0.8531
C2A—O1A—H1OA 109.5 (12) C3B—O2B—C9B 115.87 (8)
C3A—O2A—C9A 117.44 (8) C7B—N1B—N2B 114.34 (8)
C7A—N1A—N2A 115.51 (8) C8B—N2B—N1B 120.11 (8)
C8A—N2A—N1A 118.54 (8) C8B—N2B—H2NB 119.9 (11)
C8A—N2A—H2NA 123.0 (10) N1B—N2B—H2NB 119.9 (11)
N1A—N2A—H2NA 118.2 (10) C8B—N3B—H3NC 118.1 (11)
C8A—N3A—H3NA 120.0 (10) C8B—N3B—H3ND 118.5 (10)
C8A—N3A—H3NB 122.4 (10) H3NC—N3B—H3ND 122.8 (15)
H3NA—N3A—H3NB 117.6 (14) C2B—C1B—C6B 120.65 (9)
C2A—C1A—C6A 119.93 (9) C2B—C1B—H1BA 119.7
C2A—C1A—H1AA 120.0 C6B—C1B—H1BA 119.7
C6A—C1A—H1AA 120.0 O1B—C2B—C1B 118.58 (9)
C1A—C2A—O1A 119.54 (9) O1B—C2B—C3B 121.76 (9)
C1A—C2A—C3A 120.63 (9) C1B—C2B—C3B 119.67 (9)
O1A—C2A—C3A 119.82 (8) O2B—C3B—C4B 125.42 (9)
O2A—C3A—C4A 126.57 (9) O2B—C3B—C2B 114.74 (9)
O2A—C3A—C2A 113.56 (8) C4B—C3B—C2B 119.84 (9)
C4A—C3A—C2A 119.86 (9) C5B—C4B—C3B 120.41 (9)
C5A—C4A—C3A 119.55 (9) C5B—C4B—H4BA 119.8
C5A—C4A—H4AA 120.2 C3B—C4B—H4BA 119.8
C3A—C4A—H4AA 120.2 C4B—C5B—C6B 120.01 (9)
C4A—C5A—C6A 120.79 (9) C4B—C5B—H5BA 120.0
C4A—C5A—H5AA 119.6 C6B—C5B—H5BA 120.0
C6A—C5A—H5AA 119.6 C5B—C6B—C1B 119.39 (9)
C5A—C6A—C1A 119.24 (9) C5B—C6B—C7B 122.48 (9)
C5A—C6A—C7A 122.91 (8) C1B—C6B—C7B 118.13 (9)
C1A—C6A—C7A 117.85 (9) N1B—C7B—C6B 121.82 (9)
N1A—C7A—C6A 121.12 (9) N1B—C7B—H7BA 119.1
N1A—C7A—H7AA 119.4 C6B—C7B—H7BA 119.1
C6A—C7A—H7AA 119.4 N3B—C8B—N2B 118.02 (9)
N3A—C8A—N2A 117.23 (9) N3B—C8B—S1B 123.94 (8)
N3A—C8A—S1A 123.10 (7) N2B—C8B—S1B 118.01 (7)
N2A—C8A—S1A 119.64 (7) O2B—C9B—H9BA 109.5
O2A—C9A—H9AA 109.5 O2B—C9B—H9BB 109.5
O2A—C9A—H9AB 109.5 H9BA—C9B—H9BB 109.5
H9AA—C9A—H9AB 109.5 O2B—C9B—H9BC 109.5
O2A—C9A—H9AC 109.5 H9BA—C9B—H9BC 109.5
H9AA—C9A—H9AC 109.5 H9BB—C9B—H9BC 109.5
H9AB—C9A—H9AC 109.5 H2W1—O1W—H1W1 109.0
C2B—O1B—H1OB 109.3 (12)
C7A—N1A—N2A—C8A 176.03 (9) C7B—N1B—N2B—C8B −175.36 (9)
C6A—C1A—C2A—O1A −179.88 (9) C6B—C1B—C2B—O1B 177.67 (9)
C6A—C1A—C2A—C3A 0.19 (15) C6B—C1B—C2B—C3B −1.69 (15)
C9A—O2A—C3A—C4A −3.53 (16) C9B—O2B—C3B—C4B −1.14 (14)
C9A—O2A—C3A—C2A 177.37 (9) C9B—O2B—C3B—C2B 178.05 (9)
C1A—C2A—C3A—O2A 179.06 (9) O1B—C2B—C3B—O2B 1.74 (14)
O1A—C2A—C3A—O2A −0.87 (14) C1B—C2B—C3B—O2B −178.92 (9)
C1A—C2A—C3A—C4A −0.10 (15) O1B—C2B—C3B—C4B −179.02 (9)
O1A—C2A—C3A—C4A 179.97 (9) C1B—C2B—C3B—C4B 0.33 (15)
O2A—C3A—C4A—C5A −178.74 (10) O2B—C3B—C4B—C5B 179.85 (9)
C2A—C3A—C4A—C5A 0.30 (15) C2B—C3B—C4B—C5B 0.69 (15)
C3A—C4A—C5A—C6A −0.61 (15) C3B—C4B—C5B—C6B −0.35 (15)
C4A—C5A—C6A—C1A 0.70 (15) C4B—C5B—C6B—C1B −1.00 (15)
C4A—C5A—C6A—C7A −179.96 (10) C4B—C5B—C6B—C7B 178.61 (9)
C2A—C1A—C6A—C5A −0.49 (15) C2B—C1B—C6B—C5B 2.03 (15)
C2A—C1A—C6A—C7A −179.86 (9) C2B—C1B—C6B—C7B −177.59 (9)
N2A—N1A—C7A—C6A 179.81 (9) N2B—N1B—C7B—C6B −178.82 (9)
C5A—C6A—C7A—N1A 3.67 (16) C5B—C6B—C7B—N1B −3.38 (15)
C1A—C6A—C7A—N1A −176.98 (9) C1B—C6B—C7B—N1B 176.23 (9)
N1A—N2A—C8A—N3A 0.26 (14) N1B—N2B—C8B—N3B 0.04 (14)
N1A—N2A—C8A—S1A 178.63 (7) N1B—N2B—C8B—S1B −178.29 (7)