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. 2024 Feb 8;80(Pt 3):281–288. doi: 10.1107/S2056989024001233
F1—C24 1.3658 (18) C7A—C8A 1.525 (16)
F2—C24 1.3510 (19) C7A—H7AA 0.9900
O1—C5 1.2374 (18) C7A—H7AB 0.9900
O2—C24 1.3449 (19) C8A—C9 1.553 (18)
O2—C21 1.4107 (17) C8A—H8AA 0.9900
O3—C13 1.2127 (19) C8A—H8AB 0.9900
O4—C13 1.3490 (18) C11A—H11D 0.9800
O4—C14 1.4757 (17) C11A—H11E 0.9800
N1—C9 1.3692 (18) C11A—H11F 0.9800
N1—C1 1.3902 (18) C12A—H12D 0.9800
N1—H1N 0.88 (2) C12A—H12E 0.9800
C1—C2 1.3578 (19) C12A—H12F 0.9800
C1—C10 1.501 (2) C10—H10A 0.9800
C2—C13 1.470 (2) C10—H10B 0.9800
C2—C3 1.5273 (19) C10—H10C 0.9800
C3—C4 1.5132 (18) C14—C16 1.511 (3)
C3—C18 1.531 (2) C14—C17 1.512 (2)
C3—H3A 1.0000 C14—C15 1.512 (2)
C4—C9 1.364 (2) C15—H15A 0.9800
C4—C5 1.449 (2) C15—H15B 0.9800
C5—C6 1.5295 (19) C15—H15C 0.9800
C6—C7A 1.447 (4) C16—H16A 0.9800
C6—C12 1.510 (3) C16—H16B 0.9800
C6—C11A 1.546 (5) C16—H16C 0.9800
C6—C7 1.559 (3) C17—H17A 0.9800
C6—C11 1.560 (3) C17—H17B 0.9800
C6—C12A 1.570 (4) C17—H17C 0.9800
C7—C8 1.547 (10) C18—C19 1.3918 (19)
C7—H7A 0.9900 C18—C23 1.396 (2)
C7—H7B 0.9900 C19—C20 1.398 (2)
C8—C9 1.468 (11) C19—H19A 0.9500
C8—H8A 0.9900 C20—C21 1.380 (2)
C8—H8B 0.9900 C20—H20A 0.9500
C11—H11A 0.9800 C21—C22 1.386 (2)
C11—H11B 0.9800 C22—C23 1.394 (2)
C11—H11C 0.9800 C22—H22A 0.9500
C12—H12A 0.9800 C23—H23A 0.9500
C12—H12B 0.9800 C24—H24A 1.0000
C12—H12C 0.9800
C24—O2—C21 121.96 (12) H11D—C11A—H11E 109.5
C13—O4—C14 122.42 (12) C6—C11A—H11F 109.5
C9—N1—C1 122.21 (12) H11D—C11A—H11F 109.5
C9—N1—H1N 117.9 (13) H11E—C11A—H11F 109.5
C1—N1—H1N 116.2 (13) C6—C12A—H12D 109.5
C2—C1—N1 119.02 (13) C6—C12A—H12E 109.5
C2—C1—C10 129.03 (13) H12D—C12A—H12E 109.5
N1—C1—C10 111.95 (12) C6—C12A—H12F 109.5
C1—C2—C13 125.87 (13) H12D—C12A—H12F 109.5
C1—C2—C3 119.37 (12) H12E—C12A—H12F 109.5
C13—C2—C3 114.74 (12) C4—C9—N1 119.68 (13)
C4—C3—C2 109.63 (11) C4—C9—C8 125.1 (4)
C4—C3—C18 110.75 (11) N1—C9—C8 115.2 (4)
C2—C3—C18 111.59 (11) C4—C9—C8A 120.9 (7)
C4—C3—H3A 108.3 N1—C9—C8A 119.4 (7)
C2—C3—H3A 108.3 C1—C10—H10A 109.5
C18—C3—H3A 108.3 C1—C10—H10B 109.5
C9—C4—C5 120.75 (13) H10A—C10—H10B 109.5
C9—C4—C3 119.19 (12) C1—C10—H10C 109.5
C5—C4—C3 119.94 (12) H10A—C10—H10C 109.5
O1—C5—C4 121.30 (13) H10B—C10—H10C 109.5
O1—C5—C6 119.73 (13) O3—C13—O4 123.28 (14)
C4—C5—C6 118.97 (12) O3—C13—C2 122.98 (14)
C7A—C6—C5 111.51 (19) O4—C13—C2 113.70 (12)
C12—C6—C5 113.18 (14) O4—C14—C16 102.37 (13)
C7A—C6—C11A 114.0 (3) O4—C14—C17 111.14 (12)
C5—C6—C11A 107.99 (19) C16—C14—C17 109.82 (14)
C12—C6—C7 109.13 (15) O4—C14—C15 109.50 (13)
C5—C6—C7 111.51 (13) C16—C14—C15 111.71 (19)
C12—C6—C11 109.71 (17) C17—C14—C15 111.91 (17)
C5—C6—C11 104.16 (13) C14—C15—H15A 109.5
C7—C6—C11 108.97 (16) C14—C15—H15B 109.5
C7A—C6—C12A 114.1 (3) H15A—C15—H15B 109.5
C5—C6—C12A 101.5 (2) C14—C15—H15C 109.5
C11A—C6—C12A 106.9 (3) H15A—C15—H15C 109.5
C8—C7—C6 112.2 (4) H15B—C15—H15C 109.5
C8—C7—H7A 109.2 C14—C16—H16A 109.5
C6—C7—H7A 109.2 C14—C16—H16B 109.5
C8—C7—H7B 109.2 H16A—C16—H16B 109.5
C6—C7—H7B 109.2 C14—C16—H16C 109.5
H7A—C7—H7B 107.9 H16A—C16—H16C 109.5
C9—C8—C7 111.1 (7) H16B—C16—H16C 109.5
C9—C8—H8A 109.4 C14—C17—H17A 109.5
C7—C8—H8A 109.4 C14—C17—H17B 109.5
C9—C8—H8B 109.4 H17A—C17—H17B 109.5
C7—C8—H8B 109.4 C14—C17—H17C 109.5
H8A—C8—H8B 108.0 H17A—C17—H17C 109.5
C6—C11—H11A 109.5 H17B—C17—H17C 109.5
C6—C11—H11B 109.5 C19—C18—C23 117.70 (13)
H11A—C11—H11B 109.5 C19—C18—C3 121.64 (13)
C6—C11—H11C 109.5 C23—C18—C3 120.65 (12)
H11A—C11—H11C 109.5 C18—C19—C20 121.21 (14)
H11B—C11—H11C 109.5 C18—C19—H19A 119.4
C6—C12—H12A 109.5 C20—C19—H19A 119.4
C6—C12—H12B 109.5 C21—C20—C19 119.40 (13)
H12A—C12—H12B 109.5 C21—C20—H20A 120.3
C6—C12—H12C 109.5 C19—C20—H20A 120.3
H12A—C12—H12C 109.5 C20—C21—C22 121.11 (14)
H12B—C12—H12C 109.5 C20—C21—O2 114.03 (13)
C6—C7A—C8A 112.7 (8) C22—C21—O2 124.86 (14)
C6—C7A—H7AA 109.0 C21—C22—C23 118.53 (14)
C8A—C7A—H7AA 109.0 C21—C22—H22A 120.7
C6—C7A—H7AB 109.0 C23—C22—H22A 120.7
C8A—C7A—H7AB 109.0 C22—C23—C18 122.05 (14)
H7AA—C7A—H7AB 107.8 C22—C23—H23A 119.0
C7A—C8A—C9 110.2 (11) C18—C23—H23A 119.0
C7A—C8A—H8AA 109.6 O2—C24—F2 112.74 (14)
C9—C8A—H8AA 109.6 O2—C24—F1 111.38 (12)
C7A—C8A—H8AB 109.6 F2—C24—F1 105.20 (13)
C9—C8A—H8AB 109.6 O2—C24—H24A 109.1
H8AA—C8A—H8AB 108.1 F2—C24—H24A 109.1
C6—C11A—H11D 109.5 F1—C24—H24A 109.1
C6—C11A—H11E 109.5
C9—N1—C1—C2 16.6 (2) C3—C4—C9—N1 −10.2 (2)
C9—N1—C1—C10 −162.96 (12) C5—C4—C9—C8 −5.5 (5)
N1—C1—C2—C13 −168.52 (13) C3—C4—C9—C8 170.5 (5)
C10—C1—C2—C13 10.9 (2) C5—C4—C9—C8A −9.4 (8)
N1—C1—C2—C3 9.82 (19) C3—C4—C9—C8A 166.6 (8)
C10—C1—C2—C3 −170.73 (13) C1—N1—C9—C4 −16.5 (2)
C1—C2—C3—C4 −32.19 (17) C1—N1—C9—C8 162.9 (4)
C13—C2—C3—C4 146.33 (12) C1—N1—C9—C8A 166.7 (8)
C1—C2—C3—C18 90.88 (15) C7—C8—C9—C4 26.3 (8)
C13—C2—C3—C18 −90.60 (14) C7—C8—C9—N1 −153.0 (4)
C2—C3—C4—C9 32.34 (18) C7A—C8A—C9—C4 −19.0 (15)
C18—C3—C4—C9 −91.22 (16) C7A—C8A—C9—N1 157.8 (7)
C2—C3—C4—C5 −151.65 (13) C14—O4—C13—O3 −1.5 (2)
C18—C3—C4—C5 84.79 (16) C14—O4—C13—C2 176.23 (12)
C9—C4—C5—O1 −174.39 (14) C1—C2—C13—O3 −176.94 (15)
C3—C4—C5—O1 9.7 (2) C3—C2—C13—O3 4.6 (2)
C9—C4—C5—C6 6.6 (2) C1—C2—C13—O4 5.3 (2)
C3—C4—C5—C6 −169.33 (12) C3—C2—C13—O4 −173.09 (12)
O1—C5—C6—C7A −152.9 (2) C13—O4—C14—C16 176.95 (15)
C4—C5—C6—C7A 26.1 (2) C13—O4—C14—C17 59.76 (18)
O1—C5—C6—C12 28.8 (2) C13—O4—C14—C15 −64.4 (2)
C4—C5—C6—C12 −152.19 (17) C4—C3—C18—C19 −134.72 (14)
O1—C5—C6—C11A −26.9 (3) C2—C3—C18—C19 102.85 (15)
C4—C5—C6—C11A 152.1 (2) C4—C3—C18—C23 46.27 (18)
O1—C5—C6—C7 152.31 (15) C2—C3—C18—C23 −76.16 (16)
C4—C5—C6—C7 −28.68 (19) C23—C18—C19—C20 −0.2 (2)
O1—C5—C6—C11 −90.31 (18) C3—C18—C19—C20 −179.23 (13)
C4—C5—C6—C11 88.70 (17) C18—C19—C20—C21 0.9 (2)
O1—C5—C6—C12A 85.2 (2) C19—C20—C21—C22 −0.8 (2)
C4—C5—C6—C12A −95.7 (2) C19—C20—C21—O2 178.96 (13)
C12—C6—C7—C8 174.7 (4) C24—O2—C21—C20 168.08 (14)
C5—C6—C7—C8 48.9 (4) C24—O2—C21—C22 −12.1 (2)
C11—C6—C7—C8 −65.5 (4) C20—C21—C22—C23 0.1 (2)
C6—C7—C8—C9 −47.3 (6) O2—C21—C22—C23 −179.67 (14)
C5—C6—C7A—C8A −55.3 (8) C21—C22—C23—C18 0.6 (2)
C11A—C6—C7A—C8A −177.9 (8) C19—C18—C23—C22 −0.6 (2)
C12A—C6—C7A—C8A 58.9 (9) C3—C18—C23—C22 178.48 (14)
C6—C7A—C8A—C9 52.0 (13) C21—O2—C24—F2 60.27 (18)
C5—C4—C9—N1 173.81 (13) C21—O2—C24—F1 −57.73 (18)
HHS Vulnerability Disclosure