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. 2019 Jan 11;75(Pt 2):202–207. doi: 10.1107/S2056989019000458
N1—C6 1.464 (4) O13—C3A 1.375 (4)
N1—C2 1.466 (3) C3A—C14 1.367 (4)
N1—C11 1.469 (4) C3A—C7A 1.381 (4)
C2—C3 1.513 (4) C14—C15 1.404 (4)
C2—H2A 0.9900 C14—H14 0.9500
C2—H2B 0.9900 C15—C16 1.388 (4)
C3—N4 1.466 (4) C16—C17 1.395 (5)
C3—H3A 0.9900 C16—H16 0.9500
C3—H3B 0.9900 C17—C7A 1.370 (4)
N4—C47 1.343 (4) C17—H17 0.9500
N4—C5 1.465 (3) C47—O47 1.227 (4)
C5—C6 1.507 (4) C47—C41 1.513 (4)
C5—H5A 0.9900 C41—C42 1.382 (4)
C5—H5B 0.9900 C41—C46 1.384 (4)
C6—H6A 0.9900 C42—F42 1.362 (3)
C6—H6B 0.9900 C42—C43 1.373 (4)
C11—C15 1.514 (4) C43—C44 1.379 (5)
C11—H11A 0.9900 C43—H43 0.9500
C11—H11B 0.9900 C44—C45 1.381 (5)
O11—C7A 1.374 (4) C44—H44 0.9500
O11—C12 1.429 (4) C45—C46 1.377 (4)
C12—O13 1.422 (4) C45—H45 0.9500
C12—H12A 0.9900 C46—F46 1.354 (3)
C12—H12B 0.9900
C6—N1—C2 107.9 (2) H12A—C12—H12B 108.4
C6—N1—C11 111.2 (2) C3A—O13—C12 105.9 (2)
C2—N1—C11 111.8 (2) C14—C3A—O13 128.2 (3)
N1—C2—C3 110.1 (3) C14—C3A—C7A 122.1 (3)
N1—C2—H2A 109.6 O13—C3A—C7A 109.7 (3)
C3—C2—H2A 109.6 C3A—C14—C15 117.6 (3)
N1—C2—H2B 109.6 C3A—C14—H14 121.2
C3—C2—H2B 109.6 C15—C14—H14 121.2
H2A—C2—H2B 108.2 C16—C15—C14 119.4 (3)
N4—C3—C2 111.0 (2) C16—C15—C11 120.5 (3)
N4—C3—H3A 109.4 C14—C15—C11 120.0 (3)
C2—C3—H3A 109.4 C15—C16—C17 122.6 (3)
N4—C3—H3B 109.4 C15—C16—H16 118.7
C2—C3—H3B 109.4 C17—C16—H16 118.7
H3A—C3—H3B 108.0 C7A—C17—C16 116.3 (3)
C47—N4—C5 118.8 (3) C7A—C17—H17 121.8
C47—N4—C3 125.6 (2) C16—C17—H17 121.8
C5—N4—C3 114.9 (2) C17—C7A—O11 128.3 (3)
N4—C5—C6 110.5 (2) C17—C7A—C3A 121.9 (3)
N4—C5—H5A 109.6 O11—C7A—C3A 109.8 (3)
C6—C5—H5A 109.6 O47—C47—N4 123.4 (3)
N4—C5—H5B 109.6 O47—C47—C41 118.8 (3)
C6—C5—H5B 109.6 N4—C47—C41 117.8 (3)
H5A—C5—H5B 108.1 C42—C41—C46 115.6 (2)
N1—C6—C5 109.5 (2) C42—C41—C47 122.4 (2)
N1—C6—H6A 109.8 C46—C41—C47 121.6 (3)
C5—C6—H6A 109.8 F42—C42—C43 119.5 (3)
N1—C6—H6B 109.8 F42—C42—C41 116.8 (2)
C5—C6—H6B 109.8 C43—C42—C41 123.7 (3)
H6A—C6—H6B 108.2 C42—C43—C44 118.0 (3)
N1—C11—C15 111.4 (2) C42—C43—H43 121.0
N1—C11—H11A 109.3 C44—C43—H43 121.0
C15—C11—H11A 109.3 C43—C44—C45 121.2 (3)
N1—C11—H11B 109.3 C43—C44—H44 119.4
C15—C11—H11B 109.3 C45—C44—H44 119.4
H11A—C11—H11B 108.0 C46—C45—C44 118.1 (3)
C7A—O11—C12 105.7 (2) C46—C45—H45 120.9
O13—C12—O11 108.4 (3) C44—C45—H45 120.9
O13—C12—H12A 110.0 F46—C46—C45 119.2 (3)
O11—C12—H12A 110.0 F46—C46—C41 117.4 (2)
O13—C12—H12B 110.0 C45—C46—C41 123.3 (3)
O11—C12—H12B 110.0
C6—N1—C2—C3 −63.5 (3) C12—O11—C7A—C3A 4.4 (4)
C11—N1—C2—C3 173.9 (2) C14—C3A—C7A—C17 0.1 (5)
N1—C2—C3—N4 54.5 (3) O13—C3A—C7A—C17 −178.7 (3)
C2—C3—N4—C47 142.2 (3) C14—C3A—C7A—O11 178.5 (3)
C2—C3—N4—C5 −48.1 (3) O13—C3A—C7A—O11 −0.4 (4)
C47—N4—C5—C6 −140.1 (3) C5—N4—C47—O47 3.6 (4)
C3—N4—C5—C6 49.5 (3) C3—N4—C47—O47 173.0 (3)
C2—N1—C6—C5 65.0 (3) C5—N4—C47—C41 −175.7 (2)
C11—N1—C6—C5 −172.1 (2) C3—N4—C47—C41 −6.3 (4)
N4—C5—C6—N1 −57.3 (3) O47—C47—C41—C42 −95.9 (4)
C6—N1—C11—C15 62.1 (3) N4—C47—C41—C42 83.4 (4)
C2—N1—C11—C15 −177.2 (2) O47—C47—C41—C46 76.3 (4)
C7A—O11—C12—O13 −6.7 (4) N4—C47—C41—C46 −104.4 (4)
O11—C12—O13—C3A 6.5 (4) C46—C41—C42—F42 179.2 (3)
C12—O13—C3A—C14 177.4 (3) C47—C41—C42—F42 −8.2 (5)
C12—O13—C3A—C7A −3.9 (4) C46—C41—C42—C43 −0.2 (6)
O13—C3A—C14—C15 179.0 (3) C47—C41—C42—C43 172.4 (4)
C7A—C3A—C14—C15 0.4 (5) F42—C42—C43—C44 −179.1 (4)
C3A—C14—C15—C16 −0.8 (4) C41—C42—C43—C44 0.3 (7)
C3A—C14—C15—C11 −177.6 (3) C42—C43—C44—C45 −0.3 (7)
N1—C11—C15—C16 −107.8 (3) C43—C44—C45—C46 0.3 (6)
N1—C11—C15—C14 69.0 (4) C44—C45—C46—F46 179.4 (3)
C14—C15—C16—C17 0.8 (5) C44—C45—C46—C41 −0.3 (5)
C11—C15—C16—C17 177.6 (3) C42—C41—C46—F46 −179.5 (3)
C15—C16—C17—C7A −0.3 (5) C47—C41—C46—F46 7.8 (5)
C16—C17—C7A—O11 −178.2 (3) C42—C41—C46—C45 0.3 (5)
C16—C17—C7A—C3A −0.2 (5) C47—C41—C46—C45 −172.4 (3)
C12—O11—C7A—C17 −177.4 (4)