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. 2012 Nov 10;68(Pt 12):o3311–o3312. doi: 10.1107/S160053681204559X
O1—C2 1.3702 (15) C24—C25 1.3905 (18)
O1—C28 1.4367 (16) C26—C27 1.3892 (18)
O20—C19 1.3681 (15) C28—C29 1.4937 (18)
O20—C21 1.4407 (16) C29—C30 1.3188 (19)
N7—C6 1.4590 (15) C3—H31 0.9700
N7—C8 1.3810 (16) C4—H41 0.9700
N7—C11 1.3841 (15) C6—H61 0.9800
N9—C8 1.3187 (16) C6—H62 0.9900
N9—C10 1.3939 (16) C12—H121 0.9700
C2—C3 1.3950 (18) C13—H131 0.9700
C2—C27 1.3957 (18) C14—H141 0.9700
C3—C4 1.3892 (18) C15—H151 0.9600
C4—C5 1.3908 (17) C17—H171 0.9800
C5—C6 1.5161 (17) C18—H181 0.9600
C5—C26 1.3949 (17) C21—H211 1.0000
C8—C16 1.4740 (18) C21—H212 1.0100
C10—C11 1.4024 (18) C22—H221 0.9800
C10—C15 1.3995 (18) C23—H231 0.9600
C11—C12 1.3927 (17) C23—H232 0.9600
C12—C13 1.3849 (18) C24—H241 0.9700
C13—C14 1.4026 (19) C25—H251 0.9700
C14—C15 1.3859 (18) C26—H261 0.9700
C16—C17 1.4049 (17) C27—H271 0.9700
C16—C25 1.3939 (18) C28—H281 1.0000
C17—C18 1.3816 (18) C28—H282 1.0000
C18—C19 1.3990 (18) C29—H291 0.9800
C19—C24 1.3921 (17) C30—H301 0.9500
C21—C22 1.4949 (19) C30—H302 0.9700
C22—C23 1.3167 (19)
C2—O1—C28 116.19 (10) C5—C4—H41 119.00
C19—O20—C21 116.76 (9) N7—C6—H61 107.00
C6—N7—C8 128.63 (10) N7—C6—H62 107.00
C6—N7—C11 123.84 (10) C5—C6—H61 109.00
C8—N7—C11 106.23 (10) C5—C6—H62 109.00
C8—N9—C10 104.92 (10) H61—C6—H62 109.00
O1—C2—C3 124.21 (11) C11—C12—H121 122.00
O1—C2—C27 116.22 (11) C13—C12—H121 121.00
C3—C2—C27 119.54 (11) C12—C13—H131 119.00
C2—C3—C4 119.39 (12) C14—C13—H131 120.00
C3—C4—C5 121.74 (12) C13—C14—H141 118.00
C4—C5—C6 117.79 (11) C15—C14—H141 120.00
C4—C5—C26 118.29 (11) C10—C15—H151 121.00
C6—C5—C26 123.92 (10) C14—C15—H151 121.00
N7—C6—C5 115.27 (10) C16—C17—H171 119.00
N7—C8—N9 113.16 (11) C18—C17—H171 120.00
N7—C8—C16 122.69 (11) C17—C18—H181 121.00
N9—C8—C16 124.15 (11) C19—C18—H181 119.00
N9—C10—C11 109.92 (11) O20—C21—H211 110.00
N9—C10—C15 130.48 (11) O20—C21—H212 109.00
C11—C10—C15 119.57 (11) C22—C21—H211 110.00
N7—C11—C10 105.77 (10) C22—C21—H212 110.00
N7—C11—C12 131.02 (11) H211—C21—H212 110.00
C10—C11—C12 123.18 (11) C21—C22—H221 117.00
C11—C12—C13 116.39 (12) C23—C22—H221 120.00
C12—C13—C14 121.32 (12) C22—C23—H231 120.00
C13—C14—C15 121.95 (12) C22—C23—H232 121.00
C10—C15—C14 117.59 (12) H231—C23—H232 119.00
C8—C16—C17 119.36 (11) C19—C24—H241 121.00
C8—C16—C25 122.07 (11) C25—C24—H241 120.00
C17—C16—C25 118.56 (11) C16—C25—H251 120.00
C16—C17—C18 120.79 (12) C24—C25—H251 119.00
C17—C18—C19 119.86 (11) C5—C26—H261 119.00
O20—C19—C18 115.62 (11) C27—C26—H261 120.00
O20—C19—C24 124.28 (11) C2—C27—H271 119.00
C18—C19—C24 120.10 (11) C26—C27—H271 121.00
O20—C21—C22 107.67 (10) O1—C28—H281 110.00
C21—C22—C23 123.12 (12) O1—C28—H282 111.00
C19—C24—C25 119.52 (12) C29—C28—H281 109.00
C16—C25—C24 121.15 (11) C29—C28—H282 110.00
C5—C26—C27 120.77 (11) H281—C28—H282 109.00
C2—C27—C26 120.24 (11) C28—C29—H291 117.00
O1—C28—C29 108.84 (10) C30—C29—H291 120.00
C28—C29—C30 122.26 (12) C29—C30—H301 121.00
C2—C3—H31 120.00 C29—C30—H302 119.00
C4—C3—H31 120.00 H301—C30—H302 120.00
C3—C4—H41 119.00
C28—O1—C2—C3 9.44 (17) C4—C5—C26—C27 1.28 (18)
C28—O1—C2—C27 −168.51 (11) N9—C8—C16—C17 −40.64 (17)
C2—O1—C28—C29 173.88 (10) N7—C8—C16—C25 −42.45 (17)
C21—O20—C19—C18 −169.69 (10) N7—C8—C16—C17 139.28 (12)
C21—O20—C19—C24 10.16 (16) N9—C8—C16—C25 137.63 (13)
C19—O20—C21—C22 171.61 (10) N9—C10—C15—C14 177.71 (13)
C6—N7—C11—C10 −168.56 (11) C11—C10—C15—C14 0.06 (19)
C8—N7—C11—C10 −0.61 (13) C15—C10—C11—C12 −0.17 (19)
C6—N7—C11—C12 9.7 (2) N9—C10—C11—N7 0.11 (14)
C8—N7—C11—C12 177.59 (13) N9—C10—C11—C12 −178.27 (11)
C8—N7—C6—C5 104.28 (14) C15—C10—C11—N7 178.21 (11)
C11—N7—C6—C5 −90.59 (14) N7—C11—C12—C13 −177.85 (13)
C6—N7—C8—N9 168.14 (11) C10—C11—C12—C13 0.08 (19)
C11—N7—C8—N9 0.97 (14) C11—C12—C13—C14 0.11 (19)
C6—N7—C8—C16 −11.79 (19) C12—C13—C14—C15 −0.2 (2)
C11—N7—C8—C16 −178.95 (11) C13—C14—C15—C10 0.1 (2)
C10—N9—C8—N7 −0.88 (14) C8—C16—C17—C18 179.53 (11)
C10—N9—C8—C16 179.04 (11) C25—C16—C17—C18 1.20 (17)
C8—N9—C10—C11 0.46 (14) C8—C16—C25—C24 −179.18 (11)
C8—N9—C10—C15 −177.37 (13) C17—C16—C25—C24 −0.90 (17)
O1—C2—C3—C4 −176.16 (12) C16—C17—C18—C19 −0.19 (18)
O1—C2—C27—C26 176.99 (11) C17—C18—C19—O20 178.71 (11)
C27—C2—C3—C4 1.74 (19) C17—C18—C19—C24 −1.16 (18)
C3—C2—C27—C26 −1.07 (19) O20—C19—C24—C25 −178.39 (11)
C2—C3—C4—C5 −0.92 (19) C18—C19—C24—C25 1.46 (18)
C3—C4—C5—C6 179.34 (11) O20—C21—C22—C23 120.11 (14)
C3—C4—C5—C26 −0.59 (19) C19—C24—C25—C16 −0.42 (18)
C4—C5—C6—N7 −170.42 (11) C5—C26—C27—C2 −0.46 (19)
C6—C5—C26—C27 −178.65 (11) O1—C28—C29—C30 133.16 (13)
C26—C5—C6—N7 9.50 (17)