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. 2017 Jun 16;73(Pt 7):1041–1043. doi: 10.1107/S2056989017008738
S1—C7A 1.7310 (12) C13—C14 1.3957 (18)
S1—C2 1.7373 (11) C14—C15 1.3949 (16)
C2—N3 1.2972 (14) C14—C17 1.5056 (17)
C2—C8 1.4996 (15) C15—C16 1.3882 (16)
N3—C3A 1.3914 (14) C4—H4 0.9500
C3A—C4 1.3983 (15) C5—H5 0.9500
C3A—C7A 1.4040 (15) C6—H6 0.9500
C4—C5 1.3819 (16) C7—H7 0.9500
C5—C6 1.4037 (18) C8—H8A 0.9900
C6—C7 1.3826 (18) C8—H8B 0.9900
C7—C7A 1.3992 (16) N1—H01 0.866 (16)
C8—C9 1.5238 (14) N2—H02 0.845 (17)
C9—O3 1.2231 (13) C12—H12 0.9500
C9—N1 1.3464 (14) C13—H13 0.9500
N1—N2 1.4069 (12) C15—H15 0.9500
N2—S2 1.6680 (10) C16—H16 0.9500
O1—S2 1.4325 (8) C17—H17A 0.9800
S2—O2 1.4353 (8) C17—H17B 0.9800
S2—C11 1.7580 (11) C17—H17C 0.9800
C11—C16 1.3907 (16) C17—H17D 0.9800
C11—C12 1.3944 (15) C17—H17E 0.9800
C12—C13 1.3821 (17) C17—H17F 0.9800
C7A—S1—C2 89.39 (5) C5—C6—H6 119.4
N3—C2—C8 122.61 (10) C6—C7—H7 121.1
N3—C2—S1 115.98 (8) C7A—C7—H7 121.1
C8—C2—S1 121.25 (8) C2—C8—H8A 110.2
C2—N3—C3A 110.63 (9) C9—C8—H8A 110.2
N3—C3A—C4 124.96 (10) C2—C8—H8B 110.2
N3—C3A—C7A 114.86 (10) C9—C8—H8B 110.2
C4—C3A—C7A 120.15 (10) H8A—C8—H8B 108.5
C5—C4—C3A 118.54 (11) C9—N1—H01 124.9 (11)
C4—C5—C6 120.98 (11) N2—N1—H01 113.9 (11)
C7—C6—C5 121.26 (11) N1—N2—H02 113.1 (11)
C6—C7—C7A 117.79 (11) S2—N2—H02 111.0 (11)
C7—C7A—C3A 121.26 (11) C13—C12—H12 120.5
C7—C7A—S1 129.57 (9) C11—C12—H12 120.5
C3A—C7A—S1 109.14 (8) C12—C13—H13 119.4
C2—C8—C9 107.51 (8) C14—C13—H13 119.4
O3—C9—N1 123.90 (10) C16—C15—H15 119.6
O3—C9—C8 121.56 (10) C14—C15—H15 119.6
N1—C9—C8 114.53 (9) C15—C16—H16 120.4
C9—N1—N2 121.14 (9) C11—C16—H16 120.4
N1—N2—S2 112.94 (7) C14—C17—H17A 109.5
O1—S2—O2 120.92 (5) C14—C17—H17B 109.5
O1—S2—N2 103.98 (5) H17A—C17—H17B 109.5
O2—S2—N2 106.20 (5) C14—C17—H17C 109.5
O1—S2—C11 109.49 (5) H17A—C17—H17C 109.5
O2—S2—C11 107.66 (5) H17B—C17—H17C 109.5
N2—S2—C11 107.89 (5) C14—C17—H17D 109.5
C16—C11—C12 120.86 (10) H17A—C17—H17D 141.1
C16—C11—S2 120.35 (8) H17B—C17—H17D 56.3
C12—C11—S2 118.76 (9) H17C—C17—H17D 56.3
C13—C12—C11 119.02 (11) C14—C17—H17E 109.5
C12—C13—C14 121.22 (10) H17A—C17—H17E 56.3
C15—C14—C13 118.82 (11) H17B—C17—H17E 141.1
C15—C14—C17 120.67 (12) H17C—C17—H17E 56.3
C13—C14—C17 120.50 (11) H17D—C17—H17E 109.5
C16—C15—C14 120.77 (11) C14—C17—H17F 109.5
C15—C16—C11 119.28 (10) H17A—C17—H17F 56.3
C5—C4—H4 120.7 H17B—C17—H17F 56.3
C3A—C4—H4 120.7 H17C—C17—H17F 141.1
C4—C5—H5 119.5 H17D—C17—H17F 109.5
C6—C5—H5 119.5 H17E—C17—H17F 109.5
C7—C6—H6 119.4
C7A—S1—C2—N3 0.45 (8) C8—C9—N1—N2 176.74 (9)
C7A—S1—C2—C8 175.95 (9) C9—N1—N2—S2 −96.08 (10)
C8—C2—N3—C3A −175.40 (9) N1—N2—S2—O1 178.74 (7)
S1—C2—N3—C3A 0.03 (11) N1—N2—S2—O2 −52.67 (8)
C2—N3—C3A—C4 177.18 (10) N1—N2—S2—C11 62.53 (8)
C2—N3—C3A—C7A −0.66 (13) O1—S2—C11—C16 146.33 (9)
N3—C3A—C4—C5 −177.98 (10) O2—S2—C11—C16 13.11 (10)
C7A—C3A—C4—C5 −0.24 (16) N2—S2—C11—C16 −101.12 (9)
C3A—C4—C5—C6 −0.91 (17) O1—S2—C11—C12 −35.40 (10)
C4—C5—C6—C7 1.12 (18) O2—S2—C11—C12 −168.61 (9)
C5—C6—C7—C7A −0.15 (17) N2—S2—C11—C12 77.16 (9)
C6—C7—C7A—C3A −1.00 (16) C16—C11—C12—C13 0.85 (17)
C6—C7—C7A—S1 176.79 (9) S2—C11—C12—C13 −177.42 (9)
N3—C3A—C7A—C7 179.17 (10) C11—C12—C13—C14 −0.25 (18)
C4—C3A—C7A—C7 1.22 (16) C12—C13—C14—C15 −1.00 (18)
N3—C3A—C7A—S1 0.98 (11) C12—C13—C14—C17 −179.74 (12)
C4—C3A—C7A—S1 −176.98 (8) C13—C14—C15—C16 1.68 (17)
C2—S1—C7A—C7 −178.77 (11) C17—C14—C15—C16 −179.58 (11)
C2—S1—C7A—C3A −0.76 (8) C14—C15—C16—C11 −1.10 (16)
N3—C2—C8—C9 94.63 (11) C12—C11—C16—C15 −0.18 (16)
S1—C2—C8—C9 −80.57 (10) S2—C11—C16—C15 178.06 (8)
C2—C8—C9—O3 68.95 (13) H01—N1—N2—H02 −146.7 (17)
C2—C8—C9—N1 −109.79 (10) O3—C9—N1—H01 175.5 (13)
O3—C9—N1—N2 −1.96 (16) H02—N2—S2—O2 179.1 (12)