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. 2018 Aug 24;74(Pt 9):1344–1357. doi: 10.1107/S2056989018011544
S1—O1 1.4228 (9) C9—C10 1.491 (3)
S1—O2 1.4264 (13) C10—H10a 0.96
S1—N2 1.6264 (14) C10—H10b 0.96
O3—N3 1.402 (2) C10—H10c 0.96
O3—C9 1.333 (2) O4—C17 1.223 (2)
N1—C4 1.468 (2) O5—C17 1.2827 (18)
N1—H1a 1.0015 (14) O5—H6a 1.2945 (12)
N1—H1b 0.7932 (11) O6—C12 1.3010 (16)
N1—H1c 0.8315 (15) O6—H6a 1.1837 (11)
N2—C7 1.391 (2) O7—N4 1.211 (3)
N2—H2a 0.9703 (12) O8—N4 1.214 (2)
N3—C7 1.312 (2) O9—N5 1.218 (2)
C1—C2 1.3764 (15) O10—N5 1.218 (2)
C1—C6 1.374 (2) N4—C13 1.460 (2)
C2—C3 1.374 (2) N5—C15 1.4638 (19)
C2—H2 0.93 C11—C12 1.425 (2)
C3—C4 1.367 (2) C11—C16 1.3841 (19)
C3—H3 0.93 C11—C17 1.493 (2)
C4—C5 1.3668 (15) C12—C13 1.409 (2)
C5—C6 1.376 (2) C13—C14 1.376 (2)
C5—H5 0.93 C14—C15 1.372 (2)
C6—H6 0.93 C14—H14 0.93
C7—C8 1.403 (2) C15—C16 1.379 (2)
C8—C9 1.348 (3) C16—H16 0.93
C8—H8 0.93
O1—S1—O2 120.50 (6) C8—C9—C10 133.88 (19)
O1—S1—N2 108.78 (6) C9—C10—H10a 109.47
O2—S1—N2 104.15 (7) C9—C10—H10b 109.47
N3—O3—C9 108.94 (14) C9—C10—H10c 109.47
C4—N1—H1a 102.59 (10) H10a—C10—H10b 109.47
C4—N1—H1b 107.06 (15) H10a—C10—H10c 109.47
C4—N1—H1c 107.83 (13) H10b—C10—H10c 109.47
H1a—N1—H1b 124.65 (16) C17—O5—H6a 105.28 (11)
H1a—N1—H1c 103.41 (14) C12—O6—H6a 102.01 (10)
H1b—N1—H1c 110.21 (14) O7—N4—O8 123.34 (17)
S1—N2—C7 124.43 (12) O7—N4—C13 118.74 (17)
S1—N2—H2a 113.65 (11) O8—N4—C13 117.91 (17)
C7—N2—H2a 116.39 (12) O9—N5—O10 124.03 (14)
O3—N3—C7 104.86 (14) O9—N5—C15 118.56 (14)
C2—C1—C6 120.38 (14) O10—N5—C15 117.41 (15)
C1—C2—C3 119.57 (16) C12—C11—C16 120.99 (14)
C1—C2—H2 120.22 C12—C11—C17 118.93 (12)
C3—C2—H2 120.22 C16—C11—C17 120.07 (13)
C2—C3—C4 119.68 (12) O6—C12—C11 121.05 (14)
C2—C3—H3 120.16 O6—C12—C13 122.90 (13)
C4—C3—H3 120.16 C11—C12—C13 116.03 (12)
N1—C4—C3 120.80 (10) N4—C13—C12 120.40 (13)
N1—C4—C5 118.09 (15) N4—C13—C14 116.57 (15)
C3—C4—C5 121.09 (14) C12—C13—C14 123.02 (14)
C4—C5—C6 119.44 (16) C13—C14—C15 118.50 (15)
C4—C5—H5 120.28 C13—C14—H14 120.75
C6—C5—H5 120.28 C15—C14—H14 120.75
C1—C6—C5 119.80 (11) N5—C15—C14 117.72 (14)
C1—C6—H6 120.1 N5—C15—C16 120.43 (13)
C5—C6—H6 120.1 C14—C15—C16 121.82 (13)
N2—C7—N3 117.05 (14) C11—C16—C15 119.61 (13)
N2—C7—C8 131.01 (14) C11—C16—H16 120.19
N3—C7—C8 111.93 (15) C15—C16—H16 120.19
C7—C8—C9 104.20 (16) O4—C17—O5 124.29 (16)
C7—C8—H8 127.9 O4—C17—C11 119.59 (13)
C9—C8—H8 127.9 O5—C17—C11 116.11 (13)
O3—C9—C8 110.05 (18) O5—H6a—O6 156.58 (6)
O3—C9—C10 116.07 (17)