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. 2014 May 17;70(Pt 6):o661. doi: 10.1107/S1600536814011106
O1A—C1A 1.340 (3) C5A—H5A 0.9300
O1A—C2A 1.427 (4) C6A—H6A 0.9300
O2A—C3A 1.206 (4) C7A—H7A 0.9300
O3A—C10A 1.199 (3) C8A—H8A 0.9300
O4A—C10A 1.320 (3) C9A—H9A 0.9300
O4A—C11A 1.462 (3) C11A—H11B 0.9700
O5B—C13B 1.345 (3) C11A—H11A 0.9700
O5B—C14B 1.423 (3) C12A—H12A 0.9600
O6B—C15B 1.210 (3) C12A—H12B 0.9600
O7B—C22B 1.195 (3) C12A—H12C 0.9600
O8B—C22B 1.323 (3) C13B—C22B 1.503 (4)
O8B—C23B 1.462 (3) C14B—C15B 1.493 (4)
N1A—C4A 1.444 (3) C16B—C17B 1.375 (4)
N1A—C3A 1.365 (3) C16B—C21B 1.383 (4)
N1A—N2A 1.390 (3) C17B—C18B 1.383 (4)
N2A—C1A 1.272 (3) C18B—C19B 1.380 (4)
N3B—N4B 1.393 (3) C19B—C20B 1.376 (4)
N3B—C16B 1.446 (3) C20B—C21B 1.376 (4)
N3B—C15B 1.365 (3) C23B—C24B 1.489 (4)
N4B—C13B 1.265 (3) C14B—H14A 0.9700
C1A—C10A 1.503 (4) C14B—H14B 0.9700
C2A—C3A 1.491 (4) C17B—H17B 0.9300
C4A—C5A 1.382 (4) C18B—H18B 0.9300
C4A—C9A 1.374 (4) C19B—H19B 0.9300
C5A—C6A 1.380 (3) C20B—H20B 0.9300
C6A—C7A 1.372 (4) C21B—H21B 0.9300
C7A—C8A 1.374 (4) C23B—H23A 0.9700
C8A—C9A 1.380 (3) C23B—H23B 0.9700
C11A—C12A 1.488 (4) C24B—H24A 0.9600
C2A—H2A1 0.9700 C24B—H24B 0.9600
C2A—H2A2 0.9700 C24B—H24C 0.9600
O1A···O3A 2.669 (3) C10A···H23Bix 3.0100
O1A···N1A 2.701 (3) C15B···H21B 2.8500
O1A···O1Ai 3.032 (3) C16B···H5A 3.0200
O1A···C2Ai 3.150 (3) C16B···H9Avi 3.0300
O2A···C9A 3.272 (3) C18B···H8Avi 3.0100
O3A···C14Bii 3.418 (4) C19B···H6A 3.0300
O3A···O1A 2.669 (3) C19B···H8Avi 3.0200
O4A···N2A 2.644 (3) C21B···H5A 3.0400
O5B···N3B 2.724 (3) C22B···H11B 3.0100
O5B···O7B 2.667 (3) C24B···H19Bx 3.0800
O5B···O5Bii 3.024 (3) H2A1···O7Bii 2.6200
O5B···C14Bii 3.163 (3) H2A2···O3Ai 2.6600
O6B···C21B 2.976 (3) H2A2···O1Ai 2.5500
O7B···O5B 2.667 (3) H5A···O6B 2.7700
O8B···N4B 2.638 (3) H5A···C16B 3.0200
O1A···H2A2i 2.5500 H5A···C21B 3.0400
O2A···H24Biii 2.7200 H6A···C5Aiv 3.0900
O2A···H20Biv 2.8100 H6A···C19B 3.0300
O3A···H2A2i 2.6600 H7A···H12Cviii 2.5800
O3A···H11B 2.6500 H7A···H24Aviii 2.5400
O3A···H11A 2.6800 H8A···C18Bix 3.0100
O3A···H14Aii 2.5900 H8A···C19Bix 3.0200
O5B···H14Bii 2.5700 H9A···N4Bix 2.7700
O6B···H12Bv 2.6600 H9A···C16Bix 3.0300
O6B···H5A 2.7700 H11A···O3A 2.6800
O6B···H21B 2.6500 H11B···C22B 3.0100
O7B···H11B 2.9100 H11B···O3A 2.6500
O7B···H23A 2.6900 H11B···O7B 2.9100
O7B···H2A1ii 2.6200 H12A···H19Bviii 2.5900
O7B···H14Bii 2.6500 H12B···O6Bxi 2.6600
O7B···H23B 2.6400 H12C···H7Aviii 2.5800
N1A···O1A 2.701 (3) H14A···O3Aii 2.5900
N2A···O4A 2.644 (3) H14B···O5Bii 2.5700
N3B···O5B 2.724 (3) H14B···O7Bii 2.6500
N4B···O8B 2.638 (3) H17B···N4B 2.6600
N4B···H17B 2.6600 H18B···C5Aviii 3.0400
N4B···H9Avi 2.7700 H19B···C24Bx 3.0800
C2A···O1Ai 3.150 (3) H19B···H12Aviii 2.5900
C7A···C21Biv 3.596 (4) H19B···H24Cx 2.5200
C8A···C8Avii 3.562 (4) H20B···O2Aiv 2.8100
C9A···O2A 3.272 (3) H21B···O6B 2.6500
C14B···O3Aii 3.418 (4) H21B···C15B 2.8500
C14B···O5Bii 3.163 (3) H21B···C7Aiv 3.0000
C18B···C18Bviii 3.544 (5) H23A···O7B 2.6900
C21B···O6B 2.976 (3) H23B···O7B 2.6400
C21B···C7Aiv 3.596 (4) H23B···C10Avi 3.0100
C5A···H6Aiv 3.0900 H24A···H7Aviii 2.5400
C5A···H18Bviii 3.0400 H24B···O2Axii 2.7200
C7A···H21Biv 3.0000 H24C···H19Bx 2.5200
C1A—O1A—C2A 114.7 (2) H12B—C12A—H12C 109.00
C10A—O4A—C11A 116.1 (2) C11A—C12A—H12A 110.00
C13B—O5B—C14B 114.6 (2) C11A—C12A—H12B 109.00
C22B—O8B—C23B 116.02 (19) C11A—C12A—H12C 109.00
C3A—N1A—C4A 121.4 (2) H12A—C12A—H12B 109.00
N2A—N1A—C3A 123.2 (2) H12A—C12A—H12C 110.00
N2A—N1A—C4A 115.21 (19) O5B—C13B—N4B 127.0 (2)
N1A—N2A—C1A 116.5 (2) O5B—C13B—C22B 112.3 (2)
N4B—N3B—C16B 114.74 (19) N4B—C13B—C22B 120.5 (2)
C15B—N3B—C16B 122.9 (2) O5B—C14B—C15B 114.3 (2)
N4B—N3B—C15B 122.32 (19) O6B—C15B—N3B 124.3 (2)
N3B—N4B—C13B 117.6 (2) O6B—C15B—C14B 120.6 (2)
O1A—C1A—N2A 126.9 (3) N3B—C15B—C14B 115.0 (2)
O1A—C1A—C10A 112.7 (2) N3B—C16B—C17B 119.1 (2)
N2A—C1A—C10A 120.1 (2) N3B—C16B—C21B 119.9 (2)
O1A—C2A—C3A 114.0 (2) C17B—C16B—C21B 121.0 (2)
N1A—C3A—C2A 114.7 (2) C16B—C17B—C18B 119.4 (3)
O2A—C3A—C2A 121.8 (3) C17B—C18B—C19B 119.5 (3)
O2A—C3A—N1A 123.5 (2) C18B—C19B—C20B 120.9 (2)
C5A—C4A—C9A 121.1 (2) C19B—C20B—C21B 119.7 (3)
N1A—C4A—C5A 119.4 (2) C16B—C21B—C20B 119.5 (2)
N1A—C4A—C9A 119.5 (2) O7B—C22B—O8B 125.9 (3)
C4A—C5A—C6A 119.0 (3) O7B—C22B—C13B 122.5 (2)
C5A—C6A—C7A 120.0 (3) O8B—C22B—C13B 111.6 (2)
C6A—C7A—C8A 120.7 (2) O8B—C23B—C24B 107.2 (2)
C7A—C8A—C9A 119.8 (3) O5B—C14B—H14A 109.00
C4A—C9A—C8A 119.4 (3) O5B—C14B—H14B 109.00
O3A—C10A—O4A 125.7 (3) C15B—C14B—H14A 109.00
O3A—C10A—C1A 122.2 (3) C15B—C14B—H14B 109.00
O4A—C10A—C1A 112.1 (2) H14A—C14B—H14B 108.00
O4A—C11A—C12A 107.0 (2) C16B—C17B—H17B 120.00
C3A—C2A—H2A1 109.00 C18B—C17B—H17B 120.00
C3A—C2A—H2A2 109.00 C17B—C18B—H18B 120.00
O1A—C2A—H2A2 109.00 C19B—C18B—H18B 120.00
O1A—C2A—H2A1 109.00 C18B—C19B—H19B 120.00
H2A1—C2A—H2A2 108.00 C20B—C19B—H19B 120.00
C6A—C5A—H5A 121.00 C19B—C20B—H20B 120.00
C4A—C5A—H5A 120.00 C21B—C20B—H20B 120.00
C5A—C6A—H6A 120.00 C16B—C21B—H21B 120.00
C7A—C6A—H6A 120.00 C20B—C21B—H21B 120.00
C8A—C7A—H7A 120.00 O8B—C23B—H23A 110.00
C6A—C7A—H7A 120.00 O8B—C23B—H23B 110.00
C9A—C8A—H8A 120.00 C24B—C23B—H23A 110.00
C7A—C8A—H8A 120.00 C24B—C23B—H23B 110.00
C4A—C9A—H9A 120.00 H23A—C23B—H23B 109.00
C8A—C9A—H9A 120.00 C23B—C24B—H24A 109.00
C12A—C11A—H11A 110.00 C23B—C24B—H24B 110.00
C12A—C11A—H11B 110.00 C23B—C24B—H24C 109.00
O4A—C11A—H11A 110.00 H24A—C24B—H24B 109.00
O4A—C11A—H11B 110.00 H24A—C24B—H24C 109.00
H11A—C11A—H11B 109.00 H24B—C24B—H24C 110.00
C2A—O1A—C1A—N2A −24.5 (4) N4B—N3B—C15B—O6B −176.9 (2)
C2A—O1A—C1A—C10A 161.4 (3) C15B—N3B—C16B—C21B 48.9 (4)
C1A—O1A—C2A—C3A 36.4 (4) N3B—N4B—C13B—O5B −0.1 (4)
C11A—O4A—C10A—O3A 3.7 (4) N3B—N4B—C13B—C22B 174.4 (2)
C11A—O4A—C10A—C1A −174.9 (2) N2A—C1A—C10A—O3A −172.7 (3)
C10A—O4A—C11A—C12A −180.0 (3) N2A—C1A—C10A—O4A 6.0 (4)
C13B—O5B—C14B—C15B 35.2 (4) O1A—C1A—C10A—O4A −179.4 (2)
C14B—O5B—C13B—N4B −22.8 (4) O1A—C1A—C10A—O3A 1.9 (4)
C14B—O5B—C13B—C22B 162.3 (2) O1A—C2A—C3A—O2A 156.5 (3)
C22B—O8B—C23B—C24B −178.7 (2) O1A—C2A—C3A—N1A −25.5 (4)
C23B—O8B—C22B—C13B −176.4 (2) N1A—C4A—C5A—C6A 179.9 (2)
C23B—O8B—C22B—O7B 2.4 (4) C5A—C4A—C9A—C8A −1.3 (4)
N2A—N1A—C3A—O2A 179.0 (3) C9A—C4A—C5A—C6A 0.9 (4)
N2A—N1A—C3A—C2A 1.0 (4) N1A—C4A—C9A—C8A 179.7 (2)
C4A—N1A—N2A—C1A −171.4 (2) C4A—C5A—C6A—C7A −0.5 (4)
C3A—N1A—C4A—C9A −78.9 (3) C5A—C6A—C7A—C8A 0.4 (4)
N2A—N1A—C4A—C5A −73.3 (3) C6A—C7A—C8A—C9A −0.8 (4)
C4A—N1A—C3A—O2A 4.0 (4) C7A—C8A—C9A—C4A 1.2 (4)
C4A—N1A—C3A—C2A −174.0 (2) O5B—C13B—C22B—O7B 2.5 (4)
C3A—N1A—N2A—C1A 13.3 (3) O5B—C13B—C22B—O8B −178.7 (2)
N2A—N1A—C4A—C9A 105.7 (3) N4B—C13B—C22B—O7B −172.8 (3)
C3A—N1A—C4A—C5A 102.1 (3) N4B—C13B—C22B—O8B 6.0 (4)
N1A—N2A—C1A—O1A −1.0 (4) O5B—C14B—C15B—O6B 155.0 (3)
N1A—N2A—C1A—C10A 172.8 (2) O5B—C14B—C15B—N3B −27.5 (4)
C15B—N3B—N4B—C13B 8.9 (3) N3B—C16B—C17B—C18B −178.5 (3)
C16B—N3B—N4B—C13B −170.1 (2) C21B—C16B—C17B—C18B −0.3 (5)
N4B—N3B—C15B—C14B 5.8 (4) N3B—C16B—C21B—C20B 179.5 (3)
C16B—N3B—C15B—O6B 2.0 (4) C17B—C16B—C21B—C20B 1.3 (5)
C16B—N3B—C15B—C14B −175.3 (2) C16B—C17B—C18B—C19B −0.7 (5)
N4B—N3B—C16B—C17B 46.1 (3) C17B—C18B—C19B—C20B 0.8 (5)
N4B—N3B—C16B—C21B −132.1 (3) C18B—C19B—C20B—C21B 0.2 (5)
C15B—N3B—C16B—C17B −132.8 (3) C19B—C20B—C21B—C16B −1.2 (4)