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. 2018 Aug 21;74(Pt 9):1302–1308. doi: 10.1107/S2056989018011131
N1A—C35A 1.397 (3) N1B—C24B 1.403 (3)
N1A—C24A 1.402 (3) N1B—C35B 1.405 (3)
N1A—C21A 1.420 (3) N1B—C21B 1.418 (3)
O1A—C15A 1.213 (3) O1B—C15B 1.218 (3)
C1A—C14A 1.396 (4) C1B—C14B 1.402 (4)
C1A—C2A 1.423 (4) C1B—C2B 1.416 (4)
C1A—C6A 1.431 (4) C1B—C6B 1.434 (4)
C2A—C3A 1.358 (5) C2B—C3B 1.355 (5)
C2A—H2AA 0.9300 C2B—H2BA 0.9300
C3A—C4A 1.401 (5) C3B—C4B 1.404 (5)
C3A—H3AA 0.9300 C3B—H3BA 0.9300
C4A—C5A 1.344 (5) C4B—C5B 1.340 (5)
C4A—H4AA 0.9300 C4B—H4BA 0.9300
C5A—C6A 1.423 (4) C5B—C6B 1.424 (4)
C5A—H5AA 0.9300 C5B—H5BA 0.9300
C6A—C7A 1.392 (4) C6B—C7B 1.388 (4)
C7A—C8A 1.388 (4) C7B—C8B 1.379 (4)
C7A—H7AA 0.9300 C7B—H7BA 0.9300
C8A—C13A 1.428 (4) C8B—C9B 1.422 (4)
C8A—C9A 1.435 (4) C8B—C13B 1.431 (4)
C9A—C10A 1.350 (5) C9B—C10B 1.354 (5)
C9A—H9AA 0.9300 C9B—H9BA 0.9300
C10A—C11A 1.400 (5) C10B—C11B 1.404 (5)
C10A—H10A 0.9300 C10B—H10B 0.9300
C11A—C12A 1.350 (4) C11B—C12B 1.345 (4)
C11A—H11A 0.9300 C11B—H11B 0.9300
C12A—C13A 1.430 (4) C12B—C13B 1.424 (4)
C12A—H12A 0.9300 C12B—H12B 0.9300
C13A—C14A 1.401 (4) C13B—C14B 1.399 (4)
C14A—C15A 1.500 (4) C14B—C15B 1.506 (4)
C15A—C16A 1.462 (4) C15B—C16B 1.463 (4)
C16A—C17A 1.319 (3) C16B—C17B 1.320 (4)
C16A—H16A 0.9300 C16B—H16B 0.9300
C17A—C18A 1.460 (3) C17B—C18B 1.461 (4)
C17A—H17A 0.9300 C17B—H17B 0.9300
C18A—C23A 1.387 (3) C18B—C23B 1.389 (4)
C18A—C19A 1.388 (3) C18B—C19B 1.391 (4)
C19A—C20A 1.381 (4) C19B—C20B 1.378 (4)
C19A—H19A 0.9300 C19B—H19B 0.9300
C20A—C21A 1.381 (4) C20B—C21B 1.386 (4)
C20A—H20A 0.9300 C20B—H20B 0.9300
C21A—C22A 1.379 (3) C21B—C22B 1.376 (4)
C22A—C23A 1.375 (3) C22B—C23B 1.369 (4)
C22A—H22A 0.9300 C22B—H22B 0.9300
C23A—H23A 0.9300 C23B—H23B 0.9300
C24A—C25A 1.376 (4) C24B—C25B 1.383 (4)
C24A—C29A 1.400 (4) C24B—C29B 1.401 (4)
C25A—C26A 1.369 (4) C25B—C26B 1.379 (4)
C25A—H25A 0.9300 C25B—H25B 0.9300
C26A—C27A 1.371 (4) C26B—C27B 1.390 (4)
C26A—H26A 0.9300 C26B—H26B 0.9300
C27A—C28A 1.366 (4) C27B—C28B 1.372 (4)
C27A—H27A 0.9300 C27B—H27B 0.9300
C28A—C29A 1.403 (4) C28B—C29B 1.395 (4)
C28A—H28A 0.9300 C28B—H28B 0.9300
C29A—C30A 1.443 (4) C29B—C30B 1.441 (4)
C30A—C31A 1.386 (4) C30B—C31B 1.392 (4)
C30A—C35A 1.405 (4) C30B—C35B 1.401 (4)
C31A—C32A 1.370 (5) C31B—C32B 1.371 (5)
C31A—H31A 0.9300 C31B—H31B 0.9300
C32A—C33A 1.384 (5) C32B—C33B 1.384 (5)
C32A—H32A 0.9300 C32B—H32B 0.9300
C33A—C34A 1.398 (4) C33B—C34B 1.386 (4)
C33A—H33A 0.9300 C33B—H33B 0.9300
C34A—C35A 1.385 (4) C34B—C35B 1.390 (4)
C34A—H34A 0.9300 C34B—H34B 0.9300
C35A—N1A—C24A 108.3 (2) C24B—N1B—C35B 108.0 (2)
C35A—N1A—C21A 126.1 (2) C24B—N1B—C21B 124.9 (2)
C24A—N1A—C21A 125.2 (2) C35B—N1B—C21B 127.0 (2)
C14A—C1A—C2A 122.2 (3) C14B—C1B—C2B 122.8 (3)
C14A—C1A—C6A 119.4 (3) C14B—C1B—C6B 119.0 (3)
C2A—C1A—C6A 118.5 (3) C2B—C1B—C6B 118.2 (3)
C3A—C2A—C1A 120.2 (4) C3B—C2B—C1B 120.9 (4)
C3A—C2A—H2AA 119.9 C3B—C2B—H2BA 119.6
C1A—C2A—H2AA 119.9 C1B—C2B—H2BA 119.6
C2A—C3A—C4A 121.3 (4) C2B—C3B—C4B 120.9 (4)
C2A—C3A—H3AA 119.3 C2B—C3B—H3BA 119.5
C4A—C3A—H3AA 119.3 C4B—C3B—H3BA 119.5
C5A—C4A—C3A 120.5 (4) C5B—C4B—C3B 120.3 (4)
C5A—C4A—H4AA 119.8 C5B—C4B—H4BA 119.8
C3A—C4A—H4AA 119.8 C3B—C4B—H4BA 119.8
C4A—C5A—C6A 121.1 (4) C4B—C5B—C6B 121.4 (4)
C4A—C5A—H5AA 119.5 C4B—C5B—H5BA 119.3
C6A—C5A—H5AA 119.5 C6B—C5B—H5BA 119.3
C7A—C6A—C5A 122.6 (3) C7B—C6B—C5B 122.6 (3)
C7A—C6A—C1A 118.9 (3) C7B—C6B—C1B 119.2 (3)
C5A—C6A—C1A 118.5 (3) C5B—C6B—C1B 118.2 (3)
C8A—C7A—C6A 122.2 (3) C8B—C7B—C6B 122.2 (3)
C8A—C7A—H7AA 118.9 C8B—C7B—H7BA 118.9
C6A—C7A—H7AA 118.9 C6B—C7B—H7BA 118.9
C7A—C8A—C13A 118.9 (3) C7B—C8B—C9B 121.9 (3)
C7A—C8A—C9A 122.8 (3) C7B—C8B—C13B 119.2 (3)
C13A—C8A—C9A 118.3 (3) C9B—C8B—C13B 118.9 (3)
C10A—C9A—C8A 121.0 (3) C10B—C9B—C8B 120.4 (3)
C10A—C9A—H9AA 119.5 C10B—C9B—H9BA 119.8
C8A—C9A—H9AA 119.5 C8B—C9B—H9BA 119.8
C9A—C10A—C11A 120.7 (3) C9B—C10B—C11B 120.9 (4)
C9A—C10A—H10A 119.6 C9B—C10B—H10B 119.5
C11A—C10A—H10A 119.6 C11B—C10B—H10B 119.5
C12A—C11A—C10A 120.6 (3) C12B—C11B—C10B 120.6 (3)
C12A—C11A—H11A 119.7 C12B—C11B—H11B 119.7
C10A—C11A—H11A 119.7 C10B—C11B—H11B 119.7
C11A—C12A—C13A 121.4 (3) C11B—C12B—C13B 121.2 (3)
C11A—C12A—H12A 119.3 C11B—C12B—H12B 119.4
C13A—C12A—H12A 119.3 C13B—C12B—H12B 119.4
C14A—C13A—C8A 119.5 (3) C14B—C13B—C12B 122.7 (3)
C14A—C13A—C12A 122.6 (3) C14B—C13B—C8B 119.4 (3)
C8A—C13A—C12A 117.9 (3) C12B—C13B—C8B 117.9 (3)
C1A—C14A—C13A 121.1 (2) C13B—C14B—C1B 121.0 (3)
C1A—C14A—C15A 119.7 (3) C13B—C14B—C15B 120.8 (3)
C13A—C14A—C15A 119.3 (3) C1B—C14B—C15B 118.2 (3)
O1A—C15A—C16A 121.2 (3) O1B—C15B—C16B 120.1 (3)
O1A—C15A—C14A 119.9 (2) O1B—C15B—C14B 119.9 (3)
C16A—C15A—C14A 118.9 (2) C16B—C15B—C14B 120.0 (3)
C17A—C16A—C15A 122.4 (3) C17B—C16B—C15B 124.0 (3)
C17A—C16A—H16A 118.8 C17B—C16B—H16B 118.0
C15A—C16A—H16A 118.8 C15B—C16B—H16B 118.0
C16A—C17A—C18A 129.0 (3) C16B—C17B—C18B 128.0 (3)
C16A—C17A—H17A 115.5 C16B—C17B—H17B 116.0
C18A—C17A—H17A 115.5 C18B—C17B—H17B 116.0
C23A—C18A—C19A 117.8 (2) C23B—C18B—C19B 117.5 (2)
C23A—C18A—C17A 122.8 (2) C23B—C18B—C17B 118.9 (2)
C19A—C18A—C17A 119.4 (2) C19B—C18B—C17B 123.6 (3)
C20A—C19A—C18A 121.3 (3) C20B—C19B—C18B 120.8 (3)
C20A—C19A—H19A 119.3 C20B—C19B—H19B 119.6
C18A—C19A—H19A 119.3 C18B—C19B—H19B 119.6
C19A—C20A—C21A 120.0 (3) C19B—C20B—C21B 120.5 (3)
C19A—C20A—H20A 120.0 C19B—C20B—H20B 119.7
C21A—C20A—H20A 120.0 C21B—C20B—H20B 119.7
C22A—C21A—C20A 119.2 (2) C22B—C21B—C20B 119.1 (2)
C22A—C21A—N1A 120.2 (2) C22B—C21B—N1B 120.9 (2)
C20A—C21A—N1A 120.6 (2) C20B—C21B—N1B 119.9 (2)
C23A—C22A—C21A 120.6 (3) C23B—C22B—C21B 120.1 (3)
C23A—C22A—H22A 119.7 C23B—C22B—H22B 120.0
C21A—C22A—H22A 119.7 C21B—C22B—H22B 120.0
C22A—C23A—C18A 121.0 (2) C22B—C23B—C18B 122.0 (3)
C22A—C23A—H23A 119.5 C22B—C23B—H23B 119.0
C18A—C23A—H23A 119.5 C18B—C23B—H23B 119.0
C25A—C24A—C29A 121.8 (3) C25B—C24B—C29B 121.4 (3)
C25A—C24A—N1A 129.4 (2) C25B—C24B—N1B 129.8 (3)
C29A—C24A—N1A 108.9 (3) C29B—C24B—N1B 108.7 (3)
C26A—C25A—C24A 117.7 (3) C26B—C25B—C24B 117.8 (3)
C26A—C25A—H25A 121.2 C26B—C25B—H25B 121.1
C24A—C25A—H25A 121.2 C24B—C25B—H25B 121.1
C25A—C26A—C27A 121.7 (3) C25B—C26B—C27B 121.6 (3)
C25A—C26A—H26A 119.1 C25B—C26B—H26B 119.2
C27A—C26A—H26A 119.1 C27B—C26B—H26B 119.2
C28A—C27A—C26A 121.5 (3) C28B—C27B—C26B 120.5 (3)
C28A—C27A—H27A 119.3 C28B—C27B—H27B 119.8
C26A—C27A—H27A 119.3 C26B—C27B—H27B 119.8
C27A—C28A—C29A 118.3 (3) C27B—C28B—C29B 119.1 (3)
C27A—C28A—H28A 120.8 C27B—C28B—H28B 120.4
C29A—C28A—H28A 120.8 C29B—C28B—H28B 120.4
C24A—C29A—C28A 119.0 (3) C28B—C29B—C24B 119.5 (3)
C24A—C29A—C30A 107.0 (2) C28B—C29B—C30B 133.2 (3)
C28A—C29A—C30A 134.0 (3) C24B—C29B—C30B 107.3 (3)
C31A—C30A—C35A 118.6 (3) C31B—C30B—C35B 119.1 (3)
C31A—C30A—C29A 134.2 (3) C31B—C30B—C29B 133.6 (3)
C35A—C30A—C29A 107.3 (2) C35B—C30B—C29B 107.2 (3)
C32A—C31A—C30A 119.4 (3) C32B—C31B—C30B 118.9 (3)
C32A—C31A—H31A 120.3 C32B—C31B—H31B 120.6
C30A—C31A—H31A 120.3 C30B—C31B—H31B 120.6
C31A—C32A—C33A 121.4 (3) C31B—C32B—C33B 121.5 (3)
C31A—C32A—H32A 119.3 C31B—C32B—H32B 119.2
C33A—C32A—H32A 119.3 C33B—C32B—H32B 119.2
C32A—C33A—C34A 121.1 (3) C32B—C33B—C34B 121.2 (3)
C32A—C33A—H33A 119.4 C32B—C33B—H33B 119.4
C34A—C33A—H33A 119.4 C34B—C33B—H33B 119.4
C35A—C34A—C33A 116.5 (3) C33B—C34B—C35B 117.1 (3)
C35A—C34A—H34A 121.8 C33B—C34B—H34B 121.5
C33A—C34A—H34A 121.8 C35B—C34B—H34B 121.5
C34A—C35A—N1A 128.4 (3) C34B—C35B—C30B 122.2 (3)
C34A—C35A—C30A 122.9 (3) C34B—C35B—N1B 129.1 (3)
N1A—C35A—C30A 108.6 (3) C30B—C35B—N1B 108.7 (3)
C14A—C1A—C2A—C3A −179.8 (3) C14B—C1B—C2B—C3B 178.8 (3)
C6A—C1A—C2A—C3A −0.6 (4) C6B—C1B—C2B—C3B −0.2 (5)
C1A—C2A—C3A—C4A −1.3 (5) C1B—C2B—C3B—C4B 1.8 (6)
C2A—C3A—C4A—C5A 1.9 (6) C2B—C3B—C4B—C5B −1.9 (7)
C3A—C4A—C5A—C6A −0.6 (5) C3B—C4B—C5B—C6B 0.2 (6)
C4A—C5A—C6A—C7A 179.8 (3) C4B—C5B—C6B—C7B −179.0 (3)
C4A—C5A—C6A—C1A −1.2 (5) C4B—C5B—C6B—C1B 1.4 (5)
C14A—C1A—C6A—C7A 0.0 (4) C14B—C1B—C6B—C7B 0.0 (4)
C2A—C1A—C6A—C7A −179.2 (3) C2B—C1B—C6B—C7B 179.0 (3)
C14A—C1A—C6A—C5A −179.0 (3) C14B—C1B—C6B—C5B 179.5 (3)
C2A—C1A—C6A—C5A 1.8 (4) C2B—C1B—C6B—C5B −1.4 (4)
C5A—C6A—C7A—C8A 179.6 (3) C5B—C6B—C7B—C8B −179.2 (3)
C1A—C6A—C7A—C8A 0.6 (4) C1B—C6B—C7B—C8B 0.3 (4)
C6A—C7A—C8A—C13A −0.5 (4) C6B—C7B—C8B—C9B 178.9 (3)
C6A—C7A—C8A—C9A −179.5 (3) C6B—C7B—C8B—C13B −0.6 (4)
C7A—C8A—C9A—C10A −179.5 (3) C7B—C8B—C9B—C10B −178.9 (3)
C13A—C8A—C9A—C10A 1.5 (5) C13B—C8B—C9B—C10B 0.6 (5)
C8A—C9A—C10A—C11A 0.2 (6) C8B—C9B—C10B—C11B −1.2 (6)
C9A—C10A—C11A—C12A −1.4 (6) C9B—C10B—C11B—C12B 0.3 (6)
C10A—C11A—C12A—C13A 0.8 (5) C10B—C11B—C12B—C13B 1.2 (5)
C7A—C8A—C13A—C14A −0.2 (4) C11B—C12B—C13B—C14B 178.0 (3)
C9A—C8A—C13A—C14A 178.8 (3) C11B—C12B—C13B—C8B −1.8 (4)
C7A—C8A—C13A—C12A 179.0 (3) C7B—C8B—C13B—C14B 0.6 (4)
C9A—C8A—C13A—C12A −2.0 (4) C9B—C8B—C13B—C14B −178.9 (3)
C11A—C12A—C13A—C14A −179.9 (3) C7B—C8B—C13B—C12B −179.6 (3)
C11A—C12A—C13A—C8A 0.9 (4) C9B—C8B—C13B—C12B 0.9 (4)
C2A—C1A—C14A—C13A 178.4 (2) C12B—C13B—C14B—C1B 179.9 (3)
C6A—C1A—C14A—C13A −0.8 (4) C8B—C13B—C14B—C1B −0.3 (4)
C2A—C1A—C14A—C15A −1.6 (4) C12B—C13B—C14B—C15B 2.0 (4)
C6A—C1A—C14A—C15A 179.2 (2) C8B—C13B—C14B—C15B −178.2 (2)
C8A—C13A—C14A—C1A 0.9 (4) C2B—C1B—C14B—C13B −178.9 (3)
C12A—C13A—C14A—C1A −178.3 (2) C6B—C1B—C14B—C13B 0.0 (4)
C8A—C13A—C14A—C15A −179.1 (2) C2B—C1B—C14B—C15B −1.0 (4)
C12A—C13A—C14A—C15A 1.7 (4) C6B—C1B—C14B—C15B 177.9 (2)
C1A—C14A—C15A—O1A −95.2 (4) C13B—C14B—C15B—O1B 104.3 (3)
C13A—C14A—C15A—O1A 84.8 (4) C1B—C14B—C15B—O1B −73.6 (4)
C1A—C14A—C15A—C16A 84.8 (3) C13B—C14B—C15B—C16B −75.7 (4)
C13A—C14A—C15A—C16A −95.2 (3) C1B—C14B—C15B—C16B 106.3 (3)
O1A—C15A—C16A—C17A 4.4 (5) O1B—C15B—C16B—C17B −172.6 (3)
C14A—C15A—C16A—C17A −175.6 (3) C14B—C15B—C16B—C17B 7.4 (5)
C15A—C16A—C17A—C18A 179.7 (3) C15B—C16B—C17B—C18B 173.5 (3)
C16A—C17A—C18A—C23A 7.6 (4) C16B—C17B—C18B—C23B −166.7 (3)
C16A—C17A—C18A—C19A −171.2 (3) C16B—C17B—C18B—C19B 11.4 (5)
C23A—C18A—C19A—C20A −1.6 (4) C23B—C18B—C19B—C20B 0.1 (4)
C17A—C18A—C19A—C20A 177.4 (3) C17B—C18B—C19B—C20B −178.0 (3)
C18A—C19A—C20A—C21A 1.2 (4) C18B—C19B—C20B—C21B −1.5 (5)
C19A—C20A—C21A—C22A −0.1 (4) C19B—C20B—C21B—C22B 1.8 (4)
C19A—C20A—C21A—N1A −178.7 (3) C19B—C20B—C21B—N1B −177.8 (3)
C35A—N1A—C21A—C22A 57.7 (4) C24B—N1B—C21B—C22B −133.4 (3)
C24A—N1A—C21A—C22A −114.5 (3) C35B—N1B—C21B—C22B 49.8 (4)
C35A—N1A—C21A—C20A −123.8 (3) C24B—N1B—C21B—C20B 46.2 (4)
C24A—N1A—C21A—C20A 64.1 (4) C35B—N1B—C21B—C20B −130.6 (3)
C20A—C21A—C22A—C23A −0.6 (4) C20B—C21B—C22B—C23B −0.9 (4)
N1A—C21A—C22A—C23A 178.0 (2) N1B—C21B—C22B—C23B 178.7 (3)
C21A—C22A—C23A—C18A 0.2 (4) C21B—C22B—C23B—C18B −0.5 (4)
C19A—C18A—C23A—C22A 0.9 (4) C19B—C18B—C23B—C22B 0.8 (4)
C17A—C18A—C23A—C22A −178.0 (2) C17B—C18B—C23B—C22B 179.1 (3)
C35A—N1A—C24A—C25A −178.9 (3) C35B—N1B—C24B—C25B −176.2 (3)
C21A—N1A—C24A—C25A −5.6 (5) C21B—N1B—C24B—C25B 6.4 (4)
C35A—N1A—C24A—C29A 0.7 (3) C35B—N1B—C24B—C29B 0.3 (3)
C21A—N1A—C24A—C29A 174.0 (2) C21B—N1B—C24B—C29B −177.1 (2)
C29A—C24A—C25A—C26A 1.5 (4) C29B—C24B—C25B—C26B 2.1 (4)
N1A—C24A—C25A—C26A −178.9 (3) N1B—C24B—C25B—C26B 178.2 (3)
C24A—C25A—C26A—C27A −0.3 (5) C24B—C25B—C26B—C27B −0.7 (4)
C25A—C26A—C27A—C28A −0.9 (5) C25B—C26B—C27B—C28B −0.9 (5)
C26A—C27A—C28A—C29A 0.9 (5) C26B—C27B—C28B—C29B 1.1 (5)
C25A—C24A—C29A—C28A −1.5 (4) C27B—C28B—C29B—C24B 0.4 (4)
N1A—C24A—C29A—C28A 178.8 (2) C27B—C28B—C29B—C30B −178.4 (3)
C25A—C24A—C29A—C30A 178.4 (3) C25B—C24B—C29B—C28B −2.0 (4)
N1A—C24A—C29A—C30A −1.3 (3) N1B—C24B—C29B—C28B −178.8 (2)
C27A—C28A—C29A—C24A 0.2 (4) C25B—C24B—C29B—C30B 177.0 (2)
C27A—C28A—C29A—C30A −179.6 (3) N1B—C24B—C29B—C30B 0.2 (3)
C24A—C29A—C30A—C31A 179.3 (3) C28B—C29B—C30B—C31B −3.8 (6)
C28A—C29A—C30A—C31A −0.9 (6) C24B—C29B—C30B—C31B 177.3 (3)
C24A—C29A—C30A—C35A 1.4 (3) C28B—C29B—C30B—C35B 178.3 (3)
C28A—C29A—C30A—C35A −178.8 (3) C24B—C29B—C30B—C35B −0.6 (3)
C35A—C30A—C31A—C32A 0.3 (4) C35B—C30B—C31B—C32B −0.4 (5)
C29A—C30A—C31A—C32A −177.4 (3) C29B—C30B—C31B—C32B −178.1 (3)
C30A—C31A—C32A—C33A 1.5 (5) C30B—C31B—C32B—C33B −0.5 (5)
C31A—C32A—C33A—C34A −1.2 (5) C31B—C32B—C33B—C34B 0.9 (5)
C32A—C33A—C34A—C35A −1.0 (5) C32B—C33B—C34B—C35B −0.3 (5)
C33A—C34A—C35A—N1A 178.8 (3) C33B—C34B—C35B—C30B −0.6 (4)
C33A—C34A—C35A—C30A 2.9 (4) C33B—C34B—C35B—N1B 177.6 (3)
C24A—N1A—C35A—C34A −176.3 (3) C31B—C30B—C35B—C34B 1.0 (4)
C21A—N1A—C35A—C34A 10.5 (5) C29B—C30B—C35B—C34B 179.2 (2)
C24A—N1A—C35A—C30A 0.1 (3) C31B—C30B—C35B—N1B −177.5 (2)
C21A—N1A—C35A—C30A −173.1 (2) C29B—C30B—C35B—N1B 0.7 (3)
C31A—C30A—C35A—C34A −2.6 (4) C24B—N1B—C35B—C34B −179.0 (3)
C29A—C30A—C35A—C34A 175.7 (3) C21B—N1B—C35B—C34B −1.7 (4)
C31A—C30A—C35A—N1A −179.2 (2) C24B—N1B—C35B—C30B −0.6 (3)
C29A—C30A—C35A—N1A −0.9 (3) C21B—N1B—C35B—C30B 176.6 (2)