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. 2009 Mar 11;65(Pt 4):o740. doi: 10.1107/S1600536809007983
O1—C1 1.365 (2) O1A—H1A1 0.8200
O1—H1 0.8200 O2A—C9A 1.372 (2)
O2—C9 1.361 (2) O2A—H2A1 0.8200
O2—H2 0.8200 O3A—C18A 1.243 (2)
O3—C18 1.246 (2) N1A—C18A 1.318 (2)
N1—C18 1.317 (2) N1A—C7A 1.469 (2)
N1—C7 1.473 (2) N1A—H1A2 0.8600
N1—H1A 0.8600 C1A—C2A 1.378 (3)
C1—C2 1.379 (3) C1A—C6A 1.400 (3)
C1—C6 1.391 (2) C2A—C3A 1.369 (3)
C2—C3 1.374 (3) C2A—H2A2 0.9300
C2—H2A 0.9300 C3A—C4A 1.373 (4)
C3—C4 1.369 (3) C3A—H3A 0.9300
C3—H3 0.9300 C4A—C5A 1.386 (3)
C4—C5 1.380 (3) C4A—H4A 0.9300
C4—H4 0.9300 C5A—C6A 1.378 (3)
C5—C6 1.384 (3) C5A—H5A 0.9300
C5—H5 0.9300 C6A—C7A 1.521 (2)
C6—C7 1.521 (3) C7A—C8A 1.520 (2)
C7—C8 1.518 (2) C7A—H7A 0.9800
C7—H7 0.9800 C8A—C9A 1.374 (2)
C8—C9 1.382 (3) C8A—C13A 1.430 (2)
C8—C13 1.423 (3) C9A—C10A 1.406 (3)
C9—C10 1.405 (3) C10A—C11A 1.344 (3)
C10—C11 1.360 (3) C10A—H10A 0.9300
C10—H10 0.9300 C11A—C12A 1.408 (3)
C11—C12 1.410 (3) C11A—H11A 0.9300
C11—H11 0.9300 C12A—C17A 1.410 (3)
C12—C17 1.412 (3) C12A—C13A 1.423 (3)
C12—C13 1.429 (3) C13A—C14A 1.416 (3)
C13—C14 1.416 (3) C14A—C15A 1.370 (3)
C14—C15 1.358 (3) C14A—H14A 0.9300
C14—H14 0.9300 C15A—C16A 1.400 (4)
C15—C16 1.397 (4) C15A—H15A 0.9300
C15—H15 0.9300 C16A—C17A 1.347 (3)
C16—C17 1.344 (4) C16A—H16A 0.9300
C16—H16 0.9300 C17A—H17A 0.9300
C17—H17 0.9300 C18A—O3A 1.243 (2)
C18—O3 1.246 (2) C18A—O3A 1.243 (2)
C18—C19 1.499 (3) C18A—C19A 1.489 (3)
C19—H19A 0.9600 C19A—H19D 0.9600
C19—H19B 0.9600 C19A—H19E 0.9600
C19—H19C 0.9600 C19A—H19F 0.9600
O1A—C1A 1.357 (2)
C1—O1—H1 109.5 C9A—O2A—H2A1 109.5
C9—O2—H2 109.5 C18A—N1A—C7A 125.89 (14)
C18—N1—C7 126.49 (14) C18A—N1A—H1A2 117.1
C18—N1—H1A 116.8 C7A—N1A—H1A2 117.1
C7—N1—H1A 116.8 O1A—C1A—C2A 121.13 (18)
O1—C1—C2 122.04 (16) O1A—C1A—C6A 118.25 (16)
O1—C1—C6 116.91 (17) C2A—C1A—C6A 120.61 (19)
C2—C1—C6 121.03 (17) C3A—C2A—C1A 120.1 (2)
C3—C2—C1 120.10 (18) C3A—C2A—H2A2 119.9
C3—C2—H2A 120.0 C1A—C2A—H2A2 119.9
C1—C2—H2A 120.0 C2A—C3A—C4A 120.6 (2)
C4—C3—C2 119.9 (2) C2A—C3A—H3A 119.7
C4—C3—H3 120.1 C4A—C3A—H3A 119.7
C2—C3—H3 120.1 C3A—C4A—C5A 119.2 (2)
C3—C4—C5 120.1 (2) C3A—C4A—H4A 120.4
C3—C4—H4 120.0 C5A—C4A—H4A 120.4
C5—C4—H4 120.0 C6A—C5A—C4A 121.6 (2)
C6—C5—C4 121.34 (19) C6A—C5A—H5A 119.2
C6—C5—H5 119.3 C4A—C5A—H5A 119.2
C4—C5—H5 119.3 C5A—C6A—C1A 117.88 (17)
C5—C6—C1 117.60 (18) C5A—C6A—C7A 122.95 (17)
C5—C6—C7 122.49 (16) C1A—C6A—C7A 119.16 (16)
C1—C6—C7 119.90 (16) N1A—C7A—C8A 111.85 (13)
N1—C7—C8 110.73 (14) N1A—C7A—C6A 109.32 (13)
N1—C7—C6 110.26 (14) C8A—C7A—C6A 114.26 (14)
C8—C7—C6 113.48 (14) N1A—C7A—H7A 107.0
N1—C7—H7 107.4 C8A—C7A—H7A 107.0
C8—C7—H7 107.4 C6A—C7A—H7A 107.0
C6—C7—H7 107.4 C9A—C8A—C13A 118.19 (16)
C9—C8—C13 119.13 (17) C9A—C8A—C7A 121.65 (15)
C9—C8—C7 119.21 (16) C13A—C8A—C7A 120.11 (15)
C13—C8—C7 121.61 (15) O2A—C9A—C8A 118.40 (16)
O2—C9—C8 117.37 (16) O2A—C9A—C10A 119.78 (16)
O2—C9—C10 120.90 (18) C8A—C9A—C10A 121.81 (17)
C8—C9—C10 121.71 (19) C11A—C10A—C9A 120.26 (18)
C11—C10—C9 119.6 (2) C11A—C10A—H10A 119.9
C11—C10—H10 120.2 C9A—C10A—H10A 119.9
C9—C10—H10 120.2 C10A—C11A—C12A 121.17 (19)
C10—C11—C12 121.49 (19) C10A—C11A—H11A 119.4
C10—C11—H11 119.3 C12A—C11A—H11A 119.4
C12—C11—H11 119.3 C11A—C12A—C17A 121.7 (2)
C11—C12—C17 122.1 (2) C11A—C12A—C13A 118.89 (17)
C11—C12—C13 118.98 (19) C17A—C12A—C13A 119.44 (19)
C17—C12—C13 119.0 (2) C14A—C13A—C12A 117.06 (16)
C14—C13—C8 123.81 (17) C14A—C13A—C8A 123.40 (17)
C14—C13—C12 117.12 (18) C12A—C13A—C8A 119.53 (16)
C8—C13—C12 119.06 (18) C15A—C14A—C13A 121.6 (2)
C15—C14—C13 121.8 (2) C15A—C14A—H14A 119.2
C15—C14—H14 119.1 C13A—C14A—H14A 119.2
C13—C14—H14 119.1 C14A—C15A—C16A 120.4 (2)
C14—C15—C16 120.4 (3) C14A—C15A—H15A 119.8
C14—C15—H15 119.8 C16A—C15A—H15A 119.8
C16—C15—H15 119.8 C17A—C16A—C15A 119.7 (2)
C17—C16—C15 120.1 (2) C17A—C16A—H16A 120.2
C17—C16—H16 119.9 C15A—C16A—H16A 120.2
C15—C16—H16 119.9 C16A—C17A—C12A 121.8 (2)
C16—C17—C12 121.6 (2) C16A—C17A—H17A 119.1
C16—C17—H17 119.2 C12A—C17A—H17A 119.1
C12—C17—H17 119.2 O3A—C18A—N1A 123.91 (16)
O3—C18—N1 124.33 (16) O3A—C18A—N1A 123.91 (16)
O3—C18—N1 124.33 (16) O3A—C18A—N1A 123.91 (16)
O3—C18—C19 119.64 (17) O3A—C18A—C19A 119.49 (17)
O3—C18—C19 119.64 (17) O3A—C18A—C19A 119.49 (17)
N1—C18—C19 116.02 (17) O3A—C18A—C19A 119.49 (17)
C18—C19—H19A 109.5 N1A—C18A—C19A 116.59 (16)
C18—C19—H19B 109.5 C18A—C19A—H19D 109.5
H19A—C19—H19B 109.5 C18A—C19A—H19E 109.5
C18—C19—H19C 109.5 H19D—C19A—H19E 109.5
H19A—C19—H19C 109.5 C18A—C19A—H19F 109.5
H19B—C19—H19C 109.5 H19D—C19A—H19F 109.5
C1A—O1A—H1A1 109.5 H19E—C19A—H19F 109.5
O1—C1—C2—C3 177.50 (19) C6A—C1A—C2A—C3A −0.1 (3)
C6—C1—C2—C3 −1.1 (3) C1A—C2A—C3A—C4A −0.1 (4)
C1—C2—C3—C4 0.1 (3) C2A—C3A—C4A—C5A 0.1 (4)
C2—C3—C4—C5 0.2 (4) C3A—C4A—C5A—C6A 0.1 (4)
C3—C4—C5—C6 0.4 (4) C4A—C5A—C6A—C1A −0.3 (3)
C4—C5—C6—C1 −1.3 (3) C4A—C5A—C6A—C7A 178.4 (2)
C4—C5—C6—C7 179.9 (2) O1A—C1A—C6A—C5A −178.92 (18)
O1—C1—C6—C5 −177.01 (17) C2A—C1A—C6A—C5A 0.3 (3)
C2—C1—C6—C5 1.7 (3) O1A—C1A—C6A—C7A 2.3 (2)
O1—C1—C6—C7 1.8 (2) C2A—C1A—C6A—C7A −178.44 (17)
C2—C1—C6—C7 −179.54 (17) C18A—N1A—C7A—C8A 122.33 (17)
C18—N1—C7—C8 120.86 (18) C18A—N1A—C7A—C6A −110.10 (18)
C18—N1—C7—C6 −112.71 (19) C5A—C6A—C7A—N1A −114.0 (2)
C5—C6—C7—N1 −121.32 (19) C1A—C6A—C7A—N1A 64.7 (2)
C1—C6—C7—N1 59.9 (2) C5A—C6A—C7A—C8A 12.2 (2)
C5—C6—C7—C8 3.5 (2) C1A—C6A—C7A—C8A −169.11 (15)
C1—C6—C7—C8 −175.20 (15) N1A—C7A—C8A—C9A 39.0 (2)
N1—C7—C8—C9 49.0 (2) C6A—C7A—C8A—C9A −85.9 (2)
C6—C7—C8—C9 −75.7 (2) N1A—C7A—C8A—C13A −143.40 (15)
N1—C7—C8—C13 −133.86 (17) C6A—C7A—C8A—C13A 91.73 (19)
C6—C7—C8—C13 101.53 (19) C13A—C8A—C9A—O2A −174.72 (15)
C13—C8—C9—O2 −176.66 (17) C7A—C8A—C9A—O2A 2.9 (3)
C7—C8—C9—O2 0.6 (3) C13A—C8A—C9A—C10A 4.5 (3)
C13—C8—C9—C10 1.5 (3) C7A—C8A—C9A—C10A −177.87 (17)
C7—C8—C9—C10 178.75 (18) O2A—C9A—C10A—C11A 176.72 (19)
O2—C9—C10—C11 176.8 (2) C8A—C9A—C10A—C11A −2.5 (3)
C8—C9—C10—C11 −1.3 (3) C9A—C10A—C11A—C12A −1.0 (3)
C9—C10—C11—C12 0.4 (3) C10A—C11A—C12A—C17A −176.2 (2)
C10—C11—C12—C17 179.9 (2) C10A—C11A—C12A—C13A 2.3 (3)
C10—C11—C12—C13 0.2 (3) C11A—C12A—C13A—C14A −178.70 (18)
C9—C8—C13—C14 179.16 (18) C17A—C12A—C13A—C14A −0.2 (3)
C7—C8—C13—C14 2.0 (3) C11A—C12A—C13A—C8A −0.2 (3)
C9—C8—C13—C12 −0.8 (3) C17A—C12A—C13A—C8A 178.39 (17)
C7—C8—C13—C12 −177.97 (17) C9A—C8A—C13A—C14A 175.33 (17)
C11—C12—C13—C14 179.99 (19) C7A—C8A—C13A—C14A −2.4 (3)
C17—C12—C13—C14 0.3 (3) C9A—C8A—C13A—C12A −3.1 (2)
C11—C12—C13—C8 −0.1 (3) C7A—C8A—C13A—C12A 179.18 (15)
C17—C12—C13—C8 −179.79 (19) C12A—C13A—C14A—C15A 0.1 (3)
C8—C13—C14—C15 179.4 (2) C8A—C13A—C14A—C15A −178.39 (18)
C12—C13—C14—C15 −0.7 (3) C13A—C14A—C15A—C16A 0.2 (3)
C13—C14—C15—C16 0.9 (4) C14A—C15A—C16A—C17A −0.4 (3)
C14—C15—C16—C17 −0.7 (4) C15A—C16A—C17A—C12A 0.3 (4)
C15—C16—C17—C12 0.3 (4) C11A—C12A—C17A—C16A 178.5 (2)
C11—C12—C17—C16 −179.8 (2) C13A—C12A—C17A—C16A −0.1 (3)
C13—C12—C17—C16 −0.1 (4) C7A—N1A—C18A—O3A −5.8 (3)
C7—N1—C18—O3 −2.7 (3) C7A—N1A—C18A—O3A −5.8 (3)
C7—N1—C18—O3 −2.7 (3) C7A—N1A—C18A—O3A −5.8 (3)
C7—N1—C18—C19 177.57 (19) C7A—N1A—C18A—C19A 173.15 (18)
O1A—C1A—C2A—C3A 179.1 (2)