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. 2021 Feb 12;77(Pt 3):242–246. doi: 10.1107/S2056989021001353
O1—C15 1.2424 (14) C9—C10 1.4115 (17)
N1—C9 1.3707 (16) C9—C14 1.4208 (17)
N1—C1 1.4189 (16) C10—C11 1.3745 (19)
N1—H1 0.908 (18) C10—H10 0.997 (16)
N2—C15 1.3607 (16) C11—C12 1.389 (2)
N2—N3 1.3750 (13) C11—H11 0.990 (16)
N2—H2 0.913 (16) C12—C13 1.3770 (18)
N3—C16 1.2814 (16) C12—H12 0.988 (17)
C1—C6 1.3954 (19) C13—C14 1.4033 (16)
C1—C2 1.3987 (17) C13—H13 0.965 (16)
C2—C3 1.4068 (17) C14—C15 1.4796 (15)
C2—C7 1.5034 (19) C16—C17 1.4659 (16)
C3—C4 1.387 (2) C16—H16 1.000 (15)
C3—C8 1.5030 (19) C17—C22 1.3941 (17)
C4—C5 1.381 (2) C17—C18 1.3966 (17)
C4—H4 1.001 (17) C18—C19 1.3793 (18)
C5—C6 1.382 (2) C18—H18 0.997 (17)
C5—H5 1.026 (18) C19—C20 1.389 (2)
C6—H6 0.980 (18) C19—H19 1.013 (18)
C7—H7A 0.97 (3) C20—C21 1.376 (2)
C7—H7B 1.06 (3) C20—H20 1.000 (18)
C7—H7C 0.99 (2) C21—C22 1.3952 (18)
C8—H8A 1.04 (2) C21—H21 1.004 (18)
C8—H8B 1.01 (2) C22—H22 0.988 (15)
C8—H8C 0.98 (2)
C9—N1—C1 126.50 (11) C11—C10—C9 121.30 (12)
C9—N1—H1 114.2 (11) C11—C10—H10 120.4 (9)
C1—N1—H1 118.4 (11) C9—C10—H10 118.3 (9)
C15—N2—N3 118.21 (10) C10—C11—C12 121.11 (12)
C15—N2—H2 122.4 (10) C10—C11—H11 118.3 (9)
N3—N2—H2 119.3 (10) C12—C11—H11 120.6 (9)
C16—N3—N2 115.55 (10) C13—C12—C11 118.77 (12)
C6—C1—C2 120.68 (11) C13—C12—H12 120.0 (10)
C6—C1—N1 120.10 (12) C11—C12—H12 121.2 (10)
C2—C1—N1 119.17 (12) C12—C13—C14 121.83 (12)
C1—C2—C3 118.60 (12) C12—C13—H13 119.5 (9)
C1—C2—C7 120.96 (12) C14—C13—H13 118.6 (9)
C3—C2—C7 120.44 (12) C13—C14—C9 119.28 (11)
C4—C3—C2 119.79 (12) C13—C14—C15 119.84 (11)
C4—C3—C8 118.91 (13) C9—C14—C15 120.85 (10)
C2—C3—C8 121.30 (13) O1—C15—N2 120.95 (10)
C5—C4—C3 121.08 (12) O1—C15—C14 123.08 (10)
C5—C4—H4 121.5 (10) N2—C15—C14 115.96 (10)
C3—C4—H4 117.4 (10) N3—C16—C17 119.96 (11)
C4—C5—C6 119.84 (13) N3—C16—H16 122.5 (9)
C4—C5—H5 121.3 (9) C17—C16—H16 117.3 (9)
C6—C5—H5 118.8 (10) C22—C17—C18 118.65 (11)
C5—C6—C1 119.96 (12) C22—C17—C16 119.98 (11)
C5—C6—H6 120.4 (10) C18—C17—C16 121.12 (11)
C1—C6—H6 119.6 (10) C19—C18—C17 120.75 (12)
C2—C7—H7A 111.1 (15) C19—C18—H18 120.5 (9)
C2—C7—H7B 111.2 (13) C17—C18—H18 118.7 (9)
H7A—C7—H7B 103.8 (19) C18—C19—C20 120.31 (12)
C2—C7—H7C 112.7 (12) C18—C19—H19 118.0 (10)
H7A—C7—H7C 109.5 (19) C20—C19—H19 121.7 (10)
H7B—C7—H7C 108.2 (18) C21—C20—C19 119.62 (12)
C3—C8—H8A 110.6 (11) C21—C20—H20 119.3 (10)
C3—C8—H8B 111.4 (12) C19—C20—H20 121.0 (10)
H8A—C8—H8B 110.3 (15) C20—C21—C22 120.51 (12)
C3—C8—H8C 111.8 (13) C20—C21—H21 119.9 (10)
H8A—C8—H8C 104.6 (17) C22—C21—H21 119.6 (10)
H8B—C8—H8C 107.9 (18) C17—C22—C21 120.16 (12)
N1—C9—C10 121.87 (11) C17—C22—H22 118.3 (9)
N1—C9—C14 120.49 (10) C21—C22—H22 121.5 (9)
C10—C9—C14 117.58 (11)
C15—N2—N3—C16 −179.78 (11) C12—C13—C14—C9 −2.03 (19)
C9—N1—C1—C6 −49.49 (19) C12—C13—C14—C15 −179.98 (12)
C9—N1—C1—C2 132.87 (14) N1—C9—C14—C13 −178.39 (12)
C6—C1—C2—C3 1.20 (17) C10—C9—C14—C13 4.26 (18)
N1—C1—C2—C3 178.83 (11) N1—C9—C14—C15 −0.46 (18)
C6—C1—C2—C7 −178.68 (12) C10—C9—C14—C15 −177.81 (11)
N1—C1—C2—C7 −1.05 (18) N3—N2—C15—O1 −18.17 (17)
C1—C2—C3—C4 0.75 (18) N3—N2—C15—C14 161.30 (10)
C7—C2—C3—C4 −179.36 (12) C13—C14—C15—O1 156.06 (12)
C1—C2—C3—C8 −178.75 (12) C9—C14—C15—O1 −21.86 (18)
C7—C2—C3—C8 1.13 (19) C13—C14—C15—N2 −23.40 (16)
C2—C3—C4—C5 −1.70 (19) C9—C14—C15—N2 158.68 (11)
C8—C3—C4—C5 177.82 (13) N2—N3—C16—C17 169.95 (10)
C3—C4—C5—C6 0.7 (2) N3—C16—C17—C22 −175.28 (12)
C4—C5—C6—C1 1.3 (2) N3—C16—C17—C18 −1.04 (18)
C2—C1—C6—C5 −2.25 (19) C22—C17—C18—C19 −0.02 (19)
N1—C1—C6—C5 −179.86 (12) C16—C17—C18—C19 −174.33 (12)
C1—N1—C9—C10 −7.4 (2) C17—C18—C19—C20 0.4 (2)
C1—N1—C9—C14 175.32 (12) C18—C19—C20—C21 −0.3 (2)
N1—C9—C10—C11 178.76 (13) C19—C20—C21—C22 −0.1 (2)
C14—C9—C10—C11 −3.9 (2) C18—C17—C22—C21 −0.45 (19)
C9—C10—C11—C12 1.2 (2) C16—C17—C22—C21 173.93 (12)
C10—C11—C12—C13 1.2 (2) C20—C21—C22—C17 0.5 (2)
C11—C12—C13—C14 −0.7 (2)