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. 2015 Jul 8;71(Pt 8):o550–o551. doi: 10.1107/S205698901501258X
C1—O8 1.437 (3) C17—H17 1.0000
C1—C2 1.525 (4) C18—N2 1.465 (3)
C1—C11 1.551 (3) C18—H18A 0.9900
C1—H1 1.0000 C18—H18B 0.9900
C2—C3 1.523 (4) C19—O1 1.223 (4)
C2—H2A 0.9900 C19—O2 1.348 (3)
C2—H2B 0.9900 C19—C1' 1.456 (4)
C3—C4 1.515 (4) C20—O8 1.416 (3)
C3—H3A 0.9900 C20—H20A 0.9800
C3—H3B 0.9900 C20—H20B 0.9800
C4—O2 1.479 (3) C20—H20C 0.9800
C4—C5 1.537 (4) C21—O6 1.431 (4)
C4—C18 1.540 (4) C21—H21A 0.9800
C5—C6 1.542 (4) C21—H21B 0.9800
C5—C11 1.563 (3) C21—H21C 0.9800
C5—H5 1.0000 C22—O7 1.350 (19)
C6—C7 1.543 (3) C22—H22A 0.9800
C6—H6A 0.9900 C22—H22B 0.9800
C6—H6B 0.9900 C22—H22C 0.9800
C7—C8 1.528 (4) C22'—O7' 1.09 (2)
C7—C17 1.549 (4) C22'—H22D 0.9800
C7—H7 1.0000 C22'—H22E 0.9800
C8—O5 1.440 (3) C22'—H22F 0.9800
C8—C15 1.552 (4) C23—N2 1.465 (3)
C8—C9 1.570 (4) C23—C24 1.497 (5)
C9—O4 1.419 (3) C23—H23A 0.9900
C9—C14 1.525 (4) C23—H23B 0.9900
C9—C10 1.542 (4) C24—H24A 0.9800
C10—O3 1.442 (3) C24—H24B 0.9800
C10—C12 1.558 (3) C24—H24C 0.9800
C10—C11 1.574 (4) C1'—C6' 1.402 (4)
C11—C17 1.538 (3) C1'—C2' 1.423 (4)
C12—C13 1.540 (4) C2'—N1 1.353 (4)
C12—H12A 0.9900 C2'—C3' 1.404 (5)
C12—H12B 0.9900 C3'—C4' 1.352 (5)
C13—C16 1.520 (4) C3'—H3' 0.9500
C13—C14 1.525 (4) C4'—C5' 1.397 (5)
C13—H13 1.0000 C4'—H4' 0.9500
C14—O6 1.418 (4) C5'—C6' 1.371 (5)
C14—H14 1.0000 C5'—H5' 0.9500
C15—C16 1.518 (5) C6'—H6' 0.9500
C15—H15A 0.9900 N1—H1A 0.8800
C15—H15B 0.9900 N1—H1B 0.8800
C16—O7' 1.40 (2) O3—H3 0.8400
C16—O7 1.487 (17) O4—H4 0.8400
C16—H16 1.0000 O5—H5A 0.8400
C17—N2 1.467 (3)
O8—C1—C2 107.4 (2) C8—C15—H15B 107.4
O8—C1—C11 111.0 (2) H15A—C15—H15B 106.9
C2—C1—C11 117.0 (2) O7'—C16—C15 117.7 (7)
O8—C1—H1 107.0 O7—C16—C15 100.0 (5)
C2—C1—H1 107.0 O7'—C16—C13 103.4 (9)
C11—C1—H1 107.0 O7—C16—C13 112.2 (7)
C3—C2—C1 111.5 (2) C15—C16—C13 113.8 (2)
C3—C2—H2A 109.3 O7'—C16—H16 100.7
C1—C2—H2A 109.3 O7—C16—H16 110.1
C3—C2—H2B 109.3 C15—C16—H16 110.1
C1—C2—H2B 109.3 C13—C16—H16 110.1
H2A—C2—H2B 108.0 N2—C17—C11 109.6 (2)
C4—C3—C2 107.8 (2) N2—C17—C7 115.4 (2)
C4—C3—H3A 110.1 C11—C17—C7 101.48 (18)
C2—C3—H3A 110.1 N2—C17—H17 110.0
C4—C3—H3B 110.1 C11—C17—H17 110.0
C2—C3—H3B 110.1 C7—C17—H17 110.0
H3A—C3—H3B 108.5 N2—C18—C4 114.3 (2)
O2—C4—C3 110.5 (2) N2—C18—H18A 108.7
O2—C4—C5 110.1 (2) C4—C18—H18A 108.7
C3—C4—C5 112.4 (2) N2—C18—H18B 108.7
O2—C4—C18 101.0 (2) C4—C18—H18B 108.7
C3—C4—C18 113.2 (2) H18A—C18—H18B 107.6
C5—C4—C18 109.2 (2) O1—C19—O2 122.1 (3)
C4—C5—C6 108.2 (2) O1—C19—C1' 125.5 (3)
C4—C5—C11 107.1 (2) O2—C19—C1' 112.4 (3)
C6—C5—C11 106.03 (19) O8—C20—H20A 109.5
C4—C5—H5 111.7 O8—C20—H20B 109.5
C6—C5—H5 111.7 H20A—C20—H20B 109.5
C11—C5—H5 111.7 O8—C20—H20C 109.5
C5—C6—C7 104.6 (2) H20A—C20—H20C 109.5
C5—C6—H6A 110.8 H20B—C20—H20C 109.5
C7—C6—H6A 110.8 O6—C21—H21A 109.5
C5—C6—H6B 110.8 O6—C21—H21B 109.5
C7—C6—H6B 110.8 H21A—C21—H21B 109.5
H6A—C6—H6B 108.9 O6—C21—H21C 109.5
C8—C7—C6 110.8 (2) H21A—C21—H21C 109.5
C8—C7—C17 111.3 (2) H21B—C21—H21C 109.5
C6—C7—C17 103.5 (2) O7'—C22'—H22D 109.5
C8—C7—H7 110.4 O7'—C22'—H22E 109.5
C6—C7—H7 110.4 H22D—C22'—H22E 109.5
C17—C7—H7 110.4 O7'—C22'—H22F 109.5
O5—C8—C7 106.0 (2) H22D—C22'—H22F 109.5
O5—C8—C15 107.5 (2) H22E—C22'—H22F 109.5
C7—C8—C15 111.7 (2) N2—C23—C24 112.3 (3)
O5—C8—C9 108.5 (2) N2—C23—H23A 109.1
C7—C8—C9 109.8 (2) C24—C23—H23A 109.1
C15—C8—C9 113.1 (2) N2—C23—H23B 109.1
O4—C9—C14 110.7 (2) C24—C23—H23B 109.1
O4—C9—C10 107.86 (19) H23A—C23—H23B 107.9
C14—C9—C10 103.6 (2) C23—C24—H24A 109.5
O4—C9—C8 112.5 (2) C23—C24—H24B 109.5
C14—C9—C8 109.5 (2) H24A—C24—H24B 109.5
C10—C9—C8 112.3 (2) C23—C24—H24C 109.5
O3—C10—C9 106.68 (19) H24A—C24—H24C 109.5
O3—C10—C12 107.6 (2) H24B—C24—H24C 109.5
C9—C10—C12 102.42 (19) C6'—C1'—C2' 119.1 (3)
O3—C10—C11 107.93 (19) C6'—C1'—C19 120.6 (3)
C9—C10—C11 117.1 (2) C2'—C1'—C19 120.3 (3)
C12—C10—C11 114.4 (2) N1—C2'—C3' 120.7 (3)
C17—C11—C1 119.2 (2) N1—C2'—C1' 121.8 (3)
C17—C11—C5 97.83 (19) C3'—C2'—C1' 117.4 (3)
C1—C11—C5 111.34 (19) C4'—C3'—C2' 122.2 (3)
C17—C11—C10 107.79 (19) C4'—C3'—H3' 118.9
C1—C11—C10 108.1 (2) C2'—C3'—H3' 118.9
C5—C11—C10 112.4 (2) C3'—C4'—C5' 120.8 (3)
C13—C12—C10 107.7 (2) C3'—C4'—H4' 119.6
C13—C12—H12A 110.2 C5'—C4'—H4' 119.6
C10—C12—H12A 110.2 C6'—C5'—C4' 118.8 (3)
C13—C12—H12B 110.2 C6'—C5'—H5' 120.6
C10—C12—H12B 110.2 C4'—C5'—H5' 120.6
H12A—C12—H12B 108.5 C5'—C6'—C1' 121.7 (3)
C16—C13—C14 111.9 (3) C5'—C6'—H6' 119.2
C16—C13—C12 110.8 (2) C1'—C6'—H6' 119.2
C14—C13—C12 101.2 (2) C2'—N1—H1A 120.0
C16—C13—H13 110.9 C2'—N1—H1B 120.0
C14—C13—H13 110.9 H1A—N1—H1B 120.0
C12—C13—H13 110.9 C18—N2—C23 110.7 (2)
O6—C14—C13 118.6 (2) C18—N2—C17 115.3 (2)
O6—C14—C9 109.4 (2) C23—N2—C17 113.2 (2)
C13—C14—C9 101.4 (2) C19—O2—C4 121.5 (2)
O6—C14—H14 109.0 C10—O3—H3 109.5
C13—C14—H14 109.0 C9—O4—H4 109.5
C9—C14—H14 109.0 C8—O5—H5A 109.5
C16—C15—C8 119.7 (2) C14—O6—C21 113.5 (3)
C16—C15—H15A 107.4 C22—O7—C16 110.3 (13)
C8—C15—H15A 107.4 C22'—O7'—C16 142 (2)
C16—C15—H15B 107.4 C20—O8—C1 113.5 (2)
O8—C1—C2—C3 172.1 (2) O4—C9—C14—O6 70.7 (3)
C11—C1—C2—C3 46.5 (3) C10—C9—C14—O6 −173.9 (2)
C1—C2—C3—C4 −54.4 (3) C8—C9—C14—O6 −53.9 (3)
C2—C3—C4—O2 −170.1 (2) O4—C9—C14—C13 −163.2 (2)
C2—C3—C4—C5 66.6 (3) C10—C9—C14—C13 −47.9 (2)
C2—C3—C4—C18 −57.7 (3) C8—C9—C14—C13 72.2 (3)
O2—C4—C5—C6 58.3 (2) O5—C8—C15—C16 −136.5 (3)
C3—C4—C5—C6 −178.2 (2) C7—C8—C15—C16 107.7 (3)
C18—C4—C5—C6 −51.7 (3) C9—C8—C15—C16 −16.8 (4)
O2—C4—C5—C11 172.24 (18) C8—C15—C16—O7' 139.0 (12)
C3—C4—C5—C11 −64.2 (3) C8—C15—C16—O7 137.6 (8)
C18—C4—C5—C11 62.2 (3) C8—C15—C16—C13 17.7 (4)
C4—C5—C6—C7 100.5 (2) C14—C13—C16—O7' −100.8 (8)
C11—C5—C6—C7 −14.2 (3) C12—C13—C16—O7' 147.2 (8)
C5—C6—C7—C8 101.8 (2) C14—C13—C16—O7 −84.6 (6)
C5—C6—C7—C17 −17.6 (2) C12—C13—C16—O7 163.3 (6)
C6—C7—C8—O5 64.6 (3) C14—C13—C16—C15 28.1 (3)
C17—C7—C8—O5 179.14 (19) C12—C13—C16—C15 −83.9 (3)
C6—C7—C8—C15 −178.7 (2) C1—C11—C17—N2 −48.0 (3)
C17—C7—C8—C15 −64.1 (3) C5—C11—C17—N2 71.9 (2)
C6—C7—C8—C9 −52.4 (3) C10—C11—C17—N2 −171.5 (2)
C17—C7—C8—C9 62.2 (3) C1—C11—C17—C7 −170.4 (2)
O5—C8—C9—O4 −33.9 (3) C5—C11—C17—C7 −50.5 (2)
C7—C8—C9—O4 81.5 (3) C10—C11—C17—C7 66.1 (2)
C15—C8—C9—O4 −153.0 (2) C8—C7—C17—N2 166.20 (19)
O5—C8—C9—C14 89.7 (2) C6—C7—C17—N2 −74.8 (2)
C7—C8—C9—C14 −155.0 (2) C8—C7—C17—C11 −75.4 (2)
C15—C8—C9—C14 −29.4 (3) C6—C7—C17—C11 43.5 (2)
O5—C8—C9—C10 −155.8 (2) O2—C4—C18—N2 −157.5 (2)
C7—C8—C9—C10 −40.4 (3) C3—C4—C18—N2 84.4 (3)
C15—C8—C9—C10 85.1 (3) C5—C4—C18—N2 −41.5 (3)
O4—C9—C10—O3 34.5 (3) O1—C19—C1'—C6' −176.2 (3)
C14—C9—C10—O3 −82.8 (2) O2—C19—C1'—C6' 4.5 (4)
C8—C9—C10—O3 159.04 (19) O1—C19—C1'—C2' 2.0 (5)
O4—C9—C10—C12 147.5 (2) O2—C19—C1'—C2' −177.3 (3)
C14—C9—C10—C12 30.1 (2) C6'—C1'—C2'—N1 177.9 (3)
C8—C9—C10—C12 −88.0 (2) C19—C1'—C2'—N1 −0.3 (5)
O4—C9—C10—C11 −86.4 (2) C6'—C1'—C2'—C3' −0.7 (4)
C14—C9—C10—C11 156.2 (2) C19—C1'—C2'—C3' −178.9 (3)
C8—C9—C10—C11 38.1 (3) N1—C2'—C3'—C4' −177.7 (3)
O8—C1—C11—C17 −55.8 (3) C1'—C2'—C3'—C4' 0.9 (5)
C2—C1—C11—C17 68.0 (3) C2'—C3'—C4'—C5' −0.2 (5)
O8—C1—C11—C5 −168.5 (2) C3'—C4'—C5'—C6' −0.8 (5)
C2—C1—C11—C5 −44.7 (3) C4'—C5'—C6'—C1' 0.9 (5)
O8—C1—C11—C10 67.6 (3) C2'—C1'—C6'—C5' −0.2 (5)
C2—C1—C11—C10 −168.6 (2) C19—C1'—C6'—C5' 178.0 (3)
C4—C5—C11—C17 −75.3 (2) C4—C18—N2—C23 169.7 (2)
C6—C5—C11—C17 40.1 (2) C4—C18—N2—C17 39.6 (3)
C4—C5—C11—C1 50.3 (3) C24—C23—N2—C18 79.2 (3)
C6—C5—C11—C1 165.7 (2) C24—C23—N2—C17 −149.5 (3)
C4—C5—C11—C10 171.7 (2) C11—C17—N2—C18 −57.3 (3)
C6—C5—C11—C10 −72.9 (2) C7—C17—N2—C18 56.4 (3)
O3—C10—C11—C17 −173.14 (18) C11—C17—N2—C23 173.8 (2)
C9—C10—C11—C17 −52.8 (3) C7—C17—N2—C23 −72.5 (3)
C12—C10—C11—C17 67.1 (3) O1—C19—O2—C4 11.8 (4)
O3—C10—C11—C1 56.8 (2) C1'—C19—O2—C4 −168.9 (2)
C9—C10—C11—C1 177.13 (19) C3—C4—O2—C19 −67.1 (3)
C12—C10—C11—C1 −63.0 (2) C5—C4—O2—C19 57.5 (3)
O3—C10—C11—C5 −66.5 (2) C18—C4—O2—C19 172.8 (2)
C9—C10—C11—C5 53.9 (3) C13—C14—O6—C21 74.1 (3)
C12—C10—C11—C5 173.8 (2) C9—C14—O6—C21 −170.5 (2)
O3—C10—C12—C13 110.3 (2) O7'—C16—O7—C22 −78 (5)
C9—C10—C12—C13 −1.9 (2) C15—C16—O7—C22 98.3 (9)
C11—C10—C12—C13 −129.7 (2) C13—C16—O7—C22 −140.7 (8)
C10—C12—C13—C16 92.0 (3) O7—C16—O7'—C22' 135 (8)
C10—C12—C13—C14 −26.7 (3) C15—C16—O7'—C22' 130 (3)
C16—C13—C14—O6 46.8 (3) C13—C16—O7'—C22' −103 (3)
C12—C13—C14—O6 164.9 (2) C2—C1—O8—C20 83.5 (3)
C16—C13—C14—C9 −72.9 (3) C11—C1—O8—C20 −147.4 (3)
C12—C13—C14—C9 45.1 (3)