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. 2023 May 5;79(Pt 6):526–530. doi: 10.1107/S2056989023003845
S1—C18 1.708 (4) C8—H8 0.9500
S1—C15 1.713 (4) C9—C10 1.377 (4)
S1A—C18A 1.707 (4) C9—H9 0.9500
S1A—C15A 1.711 (4) C10—C11 1.384 (4)
N1—C6 1.339 (3) C10—H10 0.9500
N1—C2 1.342 (3) C11—C12 1.392 (4)
C1—N2 1.465 (3) C11—H11 0.9500
C1—C7 1.516 (3) C12—H12 0.9500
C1—C13 1.526 (3) C13—H13A 0.9800
C1—H1 1.0000 C13—H13B 0.9800
C2—N2 1.344 (3) C13—H13C 0.9800
C2—C3 1.434 (3) C14—N14 1.154 (3)
N2—H2 0.91 (3) C15—C16 1.377 (4)
C3—C4 1.399 (3) C16—C17 1.423 (4)
C3—C14 1.428 (3) C16—H16 0.9500
C4—C5 1.404 (3) C17—C18 1.368 (9)
C4—C15A 1.472 (4) C17—H17 0.9500
C4—C15 1.477 (3) C18—H18 0.9500
C5—C19 1.423 (3) C15A—C16A 1.368 (4)
C5—C6 1.429 (3) C16A—C17A 1.420 (4)
C6—N6 1.341 (3) C16A—H16A 0.9500
N6—H6A 0.91 (3) C17A—C18A 1.369 (13)
N6—H6B 0.89 (3) C17A—H17A 0.9500
C7—C12 1.382 (3) C18A—H18A 0.9500
C7—C8 1.384 (3) C19—N19 1.152 (3)
C8—C9 1.398 (3)
C18—S1—C15 93.0 (4) C9—C10—C11 119.5 (2)
C18A—S1A—C15A 92.3 (5) C9—C10—H10 120.2
C6—N1—C2 118.95 (19) C11—C10—H10 120.2
N2—C1—C7 112.82 (18) C10—C11—C12 120.1 (2)
N2—C1—C13 109.13 (19) C10—C11—H11 119.9
C7—C1—C13 111.07 (19) C12—C11—H11 119.9
N2—C1—H1 107.9 C7—C12—C11 121.0 (3)
C7—C1—H1 107.9 C7—C12—H12 119.5
C13—C1—H1 107.9 C11—C12—H12 119.5
N1—C2—N2 117.6 (2) C1—C13—H13A 109.5
N1—C2—C3 122.0 (2) C1—C13—H13B 109.5
N2—C2—C3 120.4 (2) H13A—C13—H13B 109.5
C2—N2—C1 122.9 (2) C1—C13—H13C 109.5
C2—N2—H2 122 (2) H13A—C13—H13C 109.5
C1—N2—H2 115 (2) H13B—C13—H13C 109.5
C4—C3—C14 121.65 (19) N14—C14—C3 177.1 (2)
C4—C3—C2 119.4 (2) C16—C15—C4 126.3 (4)
C14—C3—C2 118.7 (2) C16—C15—S1 111.5 (3)
C3—C4—C5 118.08 (19) C4—C15—S1 122.2 (3)
C3—C4—C15A 123.3 (11) C15—C16—C17 110.9 (5)
C5—C4—C15A 118.6 (11) C15—C16—H16 124.5
C3—C4—C15 118.9 (7) C17—C16—H16 124.5
C5—C4—C15 123.0 (7) C18—C17—C16 114.4 (6)
C4—C5—C19 122.9 (2) C18—C17—H17 122.8
C4—C5—C6 118.7 (2) C16—C17—H17 122.8
C19—C5—C6 118.3 (2) C17—C18—S1 110.1 (6)
N1—C6—N6 116.7 (2) C17—C18—H18 125.0
N1—C6—C5 122.8 (2) S1—C18—H18 125.0
N6—C6—C5 120.5 (2) C16A—C15A—C4 125.1 (5)
C6—N6—H6A 118 (2) C16A—C15A—S1A 112.8 (3)
C6—N6—H6B 125 (2) C4—C15A—S1A 122.1 (4)
H6A—N6—H6B 117 (3) C15A—C16A—C17A 109.9 (6)
C12—C7—C8 118.5 (2) C15A—C16A—H16A 125.0
C12—C7—C1 120.3 (2) C17A—C16A—H16A 125.0
C8—C7—C1 121.1 (2) C18A—C17A—C16A 115.0 (9)
C7—C8—C9 120.8 (2) C18A—C17A—H17A 122.5
C7—C8—H8 119.6 C16A—C17A—H17A 122.5
C9—C8—H8 119.6 C17A—C18A—S1A 110.0 (8)
C10—C9—C8 120.1 (2) C17A—C18A—H18A 125.0
C10—C9—H9 120.0 S1A—C18A—H18A 125.0
C8—C9—H9 120.0 N19—C19—C5 176.4 (2)
C6—N1—C2—N2 −176.22 (19) C1—C7—C8—C9 −176.9 (2)
C6—N1—C2—C3 2.5 (3) C7—C8—C9—C10 0.9 (4)
N1—C2—N2—C1 2.4 (3) C8—C9—C10—C11 −1.7 (4)
C3—C2—N2—C1 −176.30 (19) C9—C10—C11—C12 0.8 (4)
C7—C1—N2—C2 −90.5 (2) C8—C7—C12—C11 −1.8 (4)
C13—C1—N2—C2 145.6 (2) C1—C7—C12—C11 176.0 (2)
N1—C2—C3—C4 −2.2 (3) C10—C11—C12—C7 1.0 (4)
N2—C2—C3—C4 176.47 (18) C3—C4—C15—C16 −42 (2)
N1—C2—C3—C14 −176.64 (19) C5—C4—C15—C16 135.4 (17)
N2—C2—C3—C14 2.0 (3) C15A—C4—C15—C16 173 (27)
C14—C3—C4—C5 174.0 (2) C3—C4—C15—S1 136.5 (12)
C2—C3—C4—C5 −0.3 (3) C5—C4—C15—S1 −46 (2)
C14—C3—C4—C15A −4.1 (12) C15A—C4—C15—S1 −8 (23)
C2—C3—C4—C15A −178.4 (11) C18—S1—C15—C16 0.1 (16)
C14—C3—C4—C15 −8.0 (9) C18—S1—C15—C4 −179.0 (17)
C2—C3—C4—C15 177.7 (8) C4—C15—C16—C17 −179.8 (17)
C3—C4—C5—C19 −179.6 (2) S1—C15—C16—C17 1 (2)
C15A—C4—C5—C19 −1.4 (11) C15—C16—C17—C18 −2.2 (17)
C15—C4—C5—C19 2.4 (9) C16—C17—C18—S1 2.3 (10)
C3—C4—C5—C6 2.2 (3) C15—S1—C18—C17 −1.3 (10)
C15A—C4—C5—C6 −179.5 (11) C3—C4—C15A—C16A 130 (2)
C15—C4—C5—C6 −175.7 (8) C5—C4—C15A—C16A −48 (4)
C2—N1—C6—N6 −179.01 (19) C15—C4—C15A—C16A 168 (28)
C2—N1—C6—C5 −0.4 (3) C3—C4—C15A—S1A −50 (3)
C4—C5—C6—N1 −2.0 (3) C5—C4—C15A—S1A 132.2 (18)
C19—C5—C6—N1 179.74 (19) C15—C4—C15A—S1A −12 (23)
C4—C5—C6—N6 176.58 (19) C18A—S1A—C15A—C16A 0 (2)
C19—C5—C6—N6 −1.6 (3) C18A—S1A—C15A—C4 −180 (2)
N2—C1—C7—C12 126.2 (2) C4—C15A—C16A—C17A 179 (2)
C13—C1—C7—C12 −110.9 (3) S1A—C15A—C16A—C17A −1 (3)
N2—C1—C7—C8 −56.0 (3) C15A—C16A—C17A—C18A 1 (2)
C13—C1—C7—C8 66.9 (3) C16A—C17A—C18A—S1A −1.2 (15)
C12—C7—C8—C9 0.9 (4) C15A—S1A—C18A—C17A 0.6 (15)