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. 2016 Feb 20;72(Pt 3):382–386. doi: 10.1107/S205698901600267X
O11B—C11B 1.253 (2) C5A—C6A 1.534 (3)
O12B—C11B 1.238 (2) C6A—C7A 1.498 (2)
O31B—N3B 1.218 (2) C9A—C10A 1.507 (4)
O32B—N3B 1.221 (3) C10A—C11A 1.503 (3)
O51B—N5B 1.217 (2) C12A—C13A 1.510 (12)
O52B—N5B 1.223 (2) C12A—C11A 1.555 (8)
N3B—C3B 1.469 (2) C2A—H21A 0.9900
N5B—C5B 1.470 (2) C2A—H22A 0.9900
N1A—C2A 1.469 (2) C3A—H31A 0.9900
N1A—C7A 1.315 (2) C3A—H32A 0.9900
N1A—C11A 1.469 (2) C4A—H41A 0.9900
N8A—C13A 1.497 (11) C4A—H42A 0.9900
N8A—C9A 1.468 (3) C5A—H51A 0.9900
N8A—C7A 1.308 (2) C5A—H52A 0.9900
N8A—H8A 0.895 (18) C6A—H61A 0.9900
C1B—C11B 1.520 (3) C6A—H62A 0.9900
C1B—C2B 1.385 (2) C9A—H91A 0.9900
C1B—C6B 1.386 (2) C9A—H92A 0.9900
C2B—C3B 1.380 (2) C10A—H10A 0.9900
C3B—C4B 1.378 (2) C10A—H11A 0.9900
C4B—C5B 1.375 (2) C11A—H12A 0.9900
C5B—C6B 1.380 (2) C11A—H13A 0.9900
C2B—H2B 0.9500 C12A—H14A 0.9900
C4B—H4B 0.9500 C12A—H15A 0.9900
C6B—H6B 0.9500 C13A—H16A 0.9900
C2A—C3A 1.515 (3) C13A—H17A 0.9900
C3A—C4A 1.518 (3) C11A—H18A 0.9900
C4A—C5A 1.520 (3) C11A—H19A 0.9900
O31B—N3B—O32B 124.33 (17) C3A—C2A—H22A 109.00
O31B—N3B—C3B 117.77 (17) H21A—C2A—H22A 108.00
O32B—N3B—C3B 117.89 (16) C2A—C3A—H31A 109.00
O51B—N5B—O52B 123.92 (16) C2A—C3A—H32A 109.00
O51B—N5B—C5B 118.63 (15) C4A—C3A—H31A 109.00
O52B—N5B—C5B 117.44 (16) C4A—C3A—H32A 109.00
C2A—N1A—C11A 116.09 (13) H31A—C3A—H32A 108.00
C7A—N1A—C11A 121.98 (14) C3A—C4A—H41A 109.00
C2A—N1A—C7A 121.91 (14) C3A—C4A—H42A 109.00
C7A—N8A—C9A 122.1 (2) C5A—C4A—H41A 108.00
C7A—N8A—C13A 121.6 (4) C5A—C4A—H42A 108.00
C13A—N8A—H8A 118.6 (12) H41A—C4A—H42A 108.00
C9A—N8A—H8A 119.0 (11) C4A—C5A—H51A 109.00
C7A—N8A—H8A 117.9 (11) C4A—C5A—H52A 109.00
C2B—C1B—C6B 119.23 (16) C6A—C5A—H51A 109.00
C2B—C1B—C11B 120.13 (15) C6A—C5A—H52A 109.00
C6B—C1B—C11B 120.60 (15) H51A—C5A—H52A 108.00
C1B—C2B—C3B 119.19 (15) C5A—C6A—H61A 109.00
N3B—C3B—C2B 119.14 (15) C5A—C6A—H62A 109.00
N3B—C3B—C4B 117.78 (16) C7A—C6A—H61A 109.00
C2B—C3B—C4B 123.08 (15) C7A—C6A—H62A 109.00
C3B—C4B—C5B 116.13 (16) H61A—C6A—H62A 108.00
C4B—C5B—C6B 123.01 (16) N8A—C9A—H91A 110.00
N5B—C5B—C4B 118.32 (16) N8A—C9A—H92A 110.00
N5B—C5B—C6B 118.67 (14) C10A—C9A—H91A 110.00
C1B—C6B—C5B 119.30 (15) C10A—C9A—H92A 110.00
O11B—C11B—C1B 116.66 (16) H91A—C9A—H92A 108.00
O11B—C11B—O12B 126.65 (17) C9A—C10A—H10A 110.00
O12B—C11B—C1B 116.68 (16) C9A—C10A—H11A 110.00
C3B—C2B—H2B 120.00 C11A—C10A—H10A 110.00
C1B—C2B—H2B 120.00 C11A—C10A—H11A 110.00
C3B—C4B—H4B 122.00 H10A—C10A—H11A 108.00
C5B—C4B—H4B 122.00 N1A—C11A—H12A 109.00
C5B—C6B—H6B 120.00 N1A—C11A—H13A 109.00
C1B—C6B—H6B 120.00 C10A—C11A—H12A 109.00
N1A—C2A—C3A 113.94 (15) C10A—C11A—H13A 109.00
C2A—C3A—C4A 114.29 (15) H12A—C11A—H13A 108.00
C3A—C4A—C5A 114.95 (15) C13A—C12A—H14A 110.00
C4A—C5A—C6A 114.65 (15) C13A—C12A—H15A 110.00
C5A—C6A—C7A 113.01 (14) H14A—C12A—H15A 108.00
N1A—C7A—N8A 121.94 (15) N8A—C13A—H16A 111.00
N1A—C7A—C6A 120.27 (15) N8A—C13A—H17A 111.00
N8A—C7A—C6A 117.79 (16) C12A—C13A—H16A 111.00
N8A—C9A—C10A 107.5 (2) C12A—C13A—H17A 111.00
C9A—C10A—C11A 109.8 (2) H16A—C13A—H17A 109.00
N1A—C11A—C10A 111.27 (16) N1A—C11A—H18A 109.00
N8A—C13A—C12A 103.6 (7) N1A—C11A—H19A 109.00
N1A—C2A—H21A 109.00 C12A—C11A—H18A 109.00
N1A—C2A—H22A 109.00 C12A—C11A—H19A 109.00
C3A—C2A—H21A 109.00 H18A—C11A—H19A 108.00
O31B—N3B—C3B—C2B 12.0 (2) C6B—C1B—C11B—O11B 5.9 (2)
O31B—N3B—C3B—C4B −168.62 (16) C6B—C1B—C11B—O12B −173.03 (16)
O32B—N3B—C3B—C2B −166.31 (17) C11B—C1B—C2B—C3B −175.52 (15)
O32B—N3B—C3B—C4B 13.1 (2) C2B—C1B—C6B—C5B −2.6 (2)
O51B—N5B—C5B—C4B 0.3 (2) C11B—C1B—C6B—C5B 174.94 (15)
O51B—N5B—C5B—C6B −179.75 (16) C1B—C2B—C3B—N3B 179.56 (15)
O52B—N5B—C5B—C4B 179.61 (16) C1B—C2B—C3B—C4B 0.2 (3)
O52B—N5B—C5B—C6B −0.5 (2) C2B—C3B—C4B—C5B −1.7 (2)
C2A—N1A—C11A—C10A −162.56 (17) N3B—C3B—C4B—C5B 178.91 (15)
C7A—N1A—C2A—C3A −71.6 (2) C3B—C4B—C5B—C6B 1.1 (2)
C11A—N1A—C2A—C3A 110.16 (17) C3B—C4B—C5B—N5B −178.96 (15)
C2A—N1A—C7A—N8A −175.79 (16) N5B—C5B—C6B—C1B −178.93 (15)
C2A—N1A—C7A—C6A 5.5 (2) C4B—C5B—C6B—C1B 1.0 (3)
C11A—N1A—C7A—N8A 2.4 (3) N1A—C2A—C3A—C4A 78.97 (19)
C11A—N1A—C7A—C6A −176.35 (15) C2A—C3A—C4A—C5A −57.1 (2)
C7A—N1A—C11A—C10A 19.2 (2) C3A—C4A—C5A—C6A 60.0 (2)
C9A—N8A—C7A—C6A −173.3 (2) C4A—C5A—C6A—C7A −81.00 (19)
C9A—N8A—C7A—N1A 7.9 (3) C5A—C6A—C7A—N1A 63.5 (2)
C7A—N8A—C9A—C10A −37.5 (3) C5A—C6A—C7A—N8A −115.29 (18)
C6B—C1B—C2B—C3B 2.0 (2) N8A—C9A—C10A—C11A 55.9 (3)
C2B—C1B—C11B—O11B −176.60 (16) C9A—C10A—C11A—N1A −48.3 (3)
C2B—C1B—C11B—O12B 4.4 (2)