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. 2012 Feb 17;68(Pt 3):o745. doi: 10.1107/S1600536812005892
N—C6 1.368 (6) C9—C12 1.501 (6)
N—C9 1.389 (6) C10—H10A 0.9600
N—H0A 0.8600 C10—H10B 0.9600
O1—C4 1.240 (5) C10—H10C 0.9600
C1—C6 1.485 (7) C11—H11A 0.9600
C1—C2 1.523 (6) C11—H11B 0.9600
C1—H1A 0.9700 C11—H11C 0.9600
C1—H1B 0.9700 C12—H12A 0.9600
O2—C16 1.370 (6) C12—H12B 0.9600
O2—C19 1.412 (6) C12—H12C 0.9600
C2—C11 1.512 (7) C13—C14 1.371 (6)
C2—C3 1.528 (6) C13—C18 1.390 (6)
C2—C10 1.532 (6) C14—C15 1.380 (7)
O3—C20 1.203 (5) C14—H14A 0.9300
C3—C4 1.518 (6) C15—C16 1.382 (6)
C3—H3A 0.9700 C15—H15A 0.9300
C3—H3B 0.9700 C16—C17 1.379 (7)
O4—C20 1.352 (5) C17—C18 1.382 (7)
O4—C21 1.453 (5) C17—H17A 0.9300
C4—C5 1.427 (6) C18—H18A 0.9300
C5—C6 1.360 (6) C19—H19A 0.9600
C5—C7 1.512 (7) C19—H19B 0.9600
C7—C8 1.523 (6) C19—H19C 0.9600
C7—C13 1.524 (7) C21—H21A 0.9600
C7—H7A 0.9800 C21—H21B 0.9600
C8—C9 1.346 (6) C21—H21C 0.9600
C8—C20 1.482 (7)
C6—N—C9 122.2 (4) H10A—C10—H10C 109.5
C6—N—H0A 118.9 H10B—C10—H10C 109.5
C9—N—H0A 118.9 C2—C11—H11A 109.5
C6—C1—C2 113.3 (4) C2—C11—H11B 109.5
C6—C1—H1A 108.9 H11A—C11—H11B 109.5
C2—C1—H1A 108.9 C2—C11—H11C 109.5
C6—C1—H1B 108.9 H11A—C11—H11C 109.5
C2—C1—H1B 108.9 H11B—C11—H11C 109.5
H1A—C1—H1B 107.7 C9—C12—H12A 109.5
C16—O2—C19 117.2 (4) C9—C12—H12B 109.5
C11—C2—C1 110.7 (4) H12A—C12—H12B 109.5
C11—C2—C3 109.5 (4) C9—C12—H12C 109.5
C1—C2—C3 108.2 (4) H12A—C12—H12C 109.5
C11—C2—C10 108.6 (4) H12B—C12—H12C 109.5
C1—C2—C10 109.9 (4) C14—C13—C18 117.9 (5)
C3—C2—C10 109.9 (4) C14—C13—C7 119.8 (4)
C4—C3—C2 114.5 (4) C18—C13—C7 122.2 (4)
C4—C3—H3A 108.6 C13—C14—C15 122.4 (5)
C2—C3—H3A 108.6 C13—C14—H14A 118.8
C4—C3—H3B 108.6 C15—C14—H14A 118.8
C2—C3—H3B 108.6 C14—C15—C16 119.1 (5)
H3A—C3—H3B 107.6 C14—C15—H15A 120.4
C20—O4—C21 115.5 (4) C16—C15—H15A 120.4
O1—C4—C5 122.7 (5) O2—C16—C17 115.7 (5)
O1—C4—C3 119.3 (4) O2—C16—C15 124.7 (5)
C5—C4—C3 118.0 (4) C17—C16—C15 119.5 (5)
C6—C5—C4 119.8 (4) C18—C17—C16 120.5 (5)
C6—C5—C7 121.6 (4) C18—C17—H17A 119.7
C4—C5—C7 118.6 (4) C16—C17—H17A 119.7
C5—C6—N 120.0 (4) C17—C18—C13 120.5 (5)
C5—C6—C1 124.4 (4) C17—C18—H18A 119.8
N—C6—C1 115.5 (4) C13—C18—H18A 119.8
C5—C7—C8 109.7 (4) O2—C19—H19A 109.5
C5—C7—C13 111.8 (4) O2—C19—H19B 109.5
C8—C7—C13 110.0 (4) H19A—C19—H19B 109.5
C5—C7—H7A 108.4 O2—C19—H19C 109.5
C8—C7—H7A 108.4 H19A—C19—H19C 109.5
C13—C7—H7A 108.4 H19B—C19—H19C 109.5
C9—C8—C20 120.2 (4) O3—C20—O4 121.7 (5)
C9—C8—C7 122.1 (4) O3—C20—C8 126.7 (4)
C20—C8—C7 117.6 (4) O4—C20—C8 111.5 (4)
C8—C9—N 119.6 (4) O4—C21—H21A 109.5
C8—C9—C12 128.1 (5) O4—C21—H21B 109.5
N—C9—C12 112.3 (4) H21A—C21—H21B 109.5
C2—C10—H10A 109.5 O4—C21—H21C 109.5
C2—C10—H10B 109.5 H21A—C21—H21C 109.5
H10A—C10—H10B 109.5 H21B—C21—H21C 109.5
C2—C10—H10C 109.5
C6—C1—C2—C11 73.4 (6) C20—C8—C9—N 179.7 (4)
C6—C1—C2—C3 −46.7 (5) C7—C8—C9—N −4.2 (7)
C6—C1—C2—C10 −166.7 (4) C20—C8—C9—C12 1.6 (8)
C11—C2—C3—C4 −69.0 (5) C7—C8—C9—C12 177.7 (5)
C1—C2—C3—C4 51.8 (5) C6—N—C9—C8 −12.4 (7)
C10—C2—C3—C4 171.8 (4) C6—N—C9—C12 166.0 (4)
C2—C3—C4—O1 152.0 (5) C5—C7—C13—C14 −61.7 (6)
C2—C3—C4—C5 −29.1 (6) C8—C7—C13—C14 60.4 (6)
O1—C4—C5—C6 177.8 (5) C5—C7—C13—C18 119.6 (5)
C3—C4—C5—C6 −1.0 (7) C8—C7—C13—C18 −118.3 (5)
O1—C4—C5—C7 −3.5 (8) C18—C13—C14—C15 2.0 (8)
C3—C4—C5—C7 177.7 (4) C7—C13—C14—C15 −176.8 (5)
C4—C5—C6—N −172.0 (4) C13—C14—C15—C16 −0.8 (8)
C7—C5—C6—N 9.3 (7) C19—O2—C16—C17 164.3 (5)
C4—C5—C6—C1 5.6 (8) C19—O2—C16—C15 −16.6 (8)
C7—C5—C6—C1 −173.0 (5) C14—C15—C16—O2 179.8 (5)
C9—N—C6—C5 9.8 (7) C14—C15—C16—C17 −1.2 (8)
C9—N—C6—C1 −168.1 (4) O2—C16—C17—C18 −178.9 (5)
C2—C1—C6—C5 20.1 (7) C15—C16—C17—C18 2.0 (8)
C2—C1—C6—N −162.1 (4) C16—C17—C18—C13 −0.8 (8)
C6—C5—C7—C8 −22.5 (6) C14—C13—C18—C17 −1.2 (8)
C4—C5—C7—C8 158.8 (4) C7—C13—C18—C17 177.6 (5)
C6—C5—C7—C13 99.8 (5) C21—O4—C20—O3 −4.9 (7)
C4—C5—C7—C13 −78.9 (5) C21—O4—C20—C8 176.4 (4)
C5—C7—C8—C9 20.0 (6) C9—C8—C20—O3 23.6 (8)
C13—C7—C8—C9 −103.3 (5) C7—C8—C20—O3 −152.7 (5)
C5—C7—C8—C20 −163.7 (4) C9—C8—C20—O4 −157.8 (5)
C13—C7—C8—C20 72.9 (5) C7—C8—C20—O4 25.9 (6)