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. 2021 Feb 12;77(Pt 3):242–246. doi: 10.1107/S2056989021001353
O1—C15 1.2422 (14) C7—H7C 0.978 (19)
O2—C17 1.3663 (16) C8—H8A 0.98 (2)
O2—C20 1.3687 (16) C8—H8B 1.01 (3)
N1—C9 1.3744 (16) C8—H8C 0.96 (2)
N1—C1 1.4165 (16) C9—C10 1.4102 (17)
N1—H1 0.910 (19) C9—C14 1.4191 (17)
N2—C15 1.3582 (15) C10—C11 1.3759 (19)
N2—N3 1.3777 (13) C10—H10 0.993 (17)
N2—H2 0.883 (18) C11—C12 1.389 (2)
N3—C16 1.2826 (16) C11—H11 0.996 (16)
C1—C6 1.3915 (18) C12—C13 1.3804 (18)
C1—C2 1.4023 (17) C12—H12 0.989 (16)
C2—C3 1.4063 (17) C13—C14 1.4024 (17)
C2—C7 1.5053 (18) C13—H13 0.978 (16)
C3—C4 1.385 (2) C14—C15 1.4829 (15)
C3—C8 1.507 (2) C16—C17 1.4392 (17)
C4—C5 1.383 (2) C16—H16 0.973 (16)
C4—H4 0.955 (17) C17—C18 1.3566 (19)
C5—C6 1.3818 (19) C18—C19 1.424 (2)
C5—H5 0.975 (19) C18—H18 0.990 (19)
C6—H6 0.976 (18) C19—C20 1.330 (2)
C7—H7A 0.97 (2) C19—H19 0.98 (2)
C7—H7B 1.01 (2) C20—H20 0.99 (2)
C17—O2—C20 106.08 (11) H8B—C8—H8C 108.9 (19)
C9—N1—C1 126.32 (11) N1—C9—C10 121.67 (11)
C9—N1—H1 115.6 (11) N1—C9—C14 120.45 (11)
C1—N1—H1 115.8 (11) C10—C9—C14 117.77 (11)
C15—N2—N3 118.53 (10) C11—C10—C9 121.32 (12)
C15—N2—H2 120.4 (11) C11—C10—H10 120.6 (10)
N3—N2—H2 120.9 (11) C9—C10—H10 118.0 (10)
C16—N3—N2 114.45 (10) C10—C11—C12 121.07 (12)
C6—C1—C2 120.85 (11) C10—C11—H11 118.0 (9)
C6—C1—N1 120.43 (11) C12—C11—H11 120.9 (9)
C2—C1—N1 118.62 (11) C13—C12—C11 118.64 (12)
C1—C2—C3 118.33 (11) C13—C12—H12 119.6 (9)
C1—C2—C7 120.39 (11) C11—C12—H12 121.7 (9)
C3—C2—C7 121.21 (12) C12—C13—C14 121.92 (12)
C4—C3—C2 119.82 (12) C12—C13—H13 120.1 (9)
C4—C3—C8 118.60 (13) C14—C13—H13 118.0 (9)
C2—C3—C8 121.53 (13) C13—C14—C9 119.23 (11)
C5—C4—C3 121.32 (12) C13—C14—C15 119.71 (11)
C5—C4—H4 120.2 (10) C9—C14—C15 121.00 (10)
C3—C4—H4 118.5 (10) O1—C15—N2 121.19 (10)
C6—C5—C4 119.50 (13) O1—C15—C14 123.33 (10)
C6—C5—H5 119.7 (10) N2—C15—C14 115.47 (10)
C4—C5—H5 120.7 (10) N3—C16—C17 120.80 (11)
C5—C6—C1 120.11 (13) N3—C16—H16 122.0 (9)
C5—C6—H6 121.1 (11) C17—C16—H16 117.0 (9)
C1—C6—H6 118.7 (11) C18—C17—O2 109.77 (12)
C2—C7—H7A 110.2 (13) C18—C17—C16 131.50 (13)
C2—C7—H7B 112.8 (13) O2—C17—C16 118.59 (11)
H7A—C7—H7B 106.1 (17) C17—C18—C19 106.60 (14)
C2—C7—H7C 112.1 (11) C17—C18—H18 124.4 (11)
H7A—C7—H7C 108.4 (16) C19—C18—H18 129.0 (11)
H7B—C7—H7C 106.9 (17) C20—C19—C18 106.30 (13)
C3—C8—H8A 110.5 (11) C20—C19—H19 126.7 (11)
C3—C8—H8B 111.0 (15) C18—C19—H19 127.0 (11)
H8A—C8—H8B 108.1 (18) C19—C20—O2 111.25 (13)
C3—C8—H8C 113.8 (13) C19—C20—H20 131.6 (12)
H8A—C8—H8C 104.2 (17) O2—C20—H20 117.1 (12)
C15—N2—N3—C16 177.81 (11) C11—C12—C13—C14 0.5 (2)
C9—N1—C1—C6 −44.52 (19) C12—C13—C14—C9 −1.49 (19)
C9—N1—C1—C2 139.08 (13) C12—C13—C14—C15 −178.79 (12)
C6—C1—C2—C3 0.10 (18) N1—C9—C14—C13 178.37 (11)
N1—C1—C2—C3 176.49 (11) C10—C9—C14—C13 2.26 (17)
C6—C1—C2—C7 −177.09 (12) N1—C9—C14—C15 −4.36 (18)
N1—C1—C2—C7 −0.70 (18) C10—C9—C14—C15 179.53 (11)
C1—C2—C3—C4 1.90 (18) N3—N2—C15—O1 −12.62 (17)
C7—C2—C3—C4 179.07 (12) N3—N2—C15—C14 166.53 (10)
C1—C2—C3—C8 −175.36 (12) C13—C14—C15—O1 157.42 (11)
C7—C2—C3—C8 1.81 (19) C9—C14—C15—O1 −19.84 (18)
C2—C3—C4—C5 −1.98 (19) C13—C14—C15—N2 −21.70 (16)
C8—C3—C4—C5 175.36 (13) C9—C14—C15—N2 161.04 (11)
C3—C4—C5—C6 0.0 (2) N2—N3—C16—C17 173.06 (11)
C4—C5—C6—C1 2.0 (2) C20—O2—C17—C18 0.28 (15)
C2—C1—C6—C5 −2.09 (19) C20—O2—C17—C16 −175.78 (12)
N1—C1—C6—C5 −178.41 (12) N3—C16—C17—C18 177.42 (14)
C1—N1—C9—C10 −14.2 (2) N3—C16—C17—O2 −7.54 (18)
C1—N1—C9—C14 169.88 (12) O2—C17—C18—C19 −0.22 (16)
N1—C9—C10—C11 −178.26 (12) C16—C17—C18—C19 175.15 (13)
C14—C9—C10—C11 −2.20 (19) C17—C18—C19—C20 0.08 (17)
C9—C10—C11—C12 1.3 (2) C18—C19—C20—O2 0.10 (18)
C10—C11—C12—C13 −0.4 (2) C17—O2—C20—C19 −0.23 (16)