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. 2016 Feb 20;72(Pt 3):382–386. doi: 10.1107/S205698901600267X
O2B—C2B 1.281 (3) C3A—C4A 1.522 (4)
O11B—C11B 1.247 (3) C4A—C5A 1.520 (4)
O12B—C11B 1.271 (3) C5A—C6A 1.531 (4)
O21B—C6B 1.305 (7) C6A—C7A 1.493 (3)
O31B—N3B 1.208 (3) C9A—C10A 1.510 (6)
O32B—N3B 1.230 (4) C10A—C11A 1.503 (5)
O51B—N5B 1.217 (3) C12A—C13A 1.523 (15)
O52B—N5B 1.230 (3) C2A—H21A 0.9900
O2B—H2B 0.8400 C2A—H22A 0.9900
O21B—H21B 0.8400 C3A—H31A 0.9900
N3B—C3B 1.460 (3) C3A—H32A 0.9900
N5B—C5B 1.455 (3) C4A—H41A 0.9900
N1A—C2A 1.473 (3) C4A—H42A 0.9900
N1A—C11A 1.473 (3) C5A—H51A 0.9900
N1A—C7A 1.314 (3) C5A—H52A 0.9900
N8A—C9A 1.467 (6) C6A—H61A 0.9900
N8A—C13A 1.498 (16) C6A—H62A 0.9900
N8A—C7A 1.308 (3) C9A—H91A 0.9900
N8A—H8A 0.88 (2) C9A—H92A 0.9900
C1B—C11B 1.499 (3) C10A—H10A 0.9900
C1B—C6B 1.387 (3) C10A—H11A 0.9900
C1B—C2B 1.406 (3) C11A—H12A 0.9900
C2B—C3B 1.406 (3) C11A—H13A 0.9900
C3B—C4B 1.372 (3) C12A—H14A 0.9900
C4B—C5B 1.376 (3) C12A—H15A 0.9900
C5B—C6B 1.391 (3) C13A—H16A 0.9900
C2B—H61B 0.9500 C13A—H17A 0.9900
C4B—H4B 0.9500 C11A—H18A 0.9900
C6B—H6B 0.9500 C11A—H19A 0.9900
C2A—C3A 1.511 (3)
C2B—O2B—H2B 109.00 C9A—C10A—C11A 110.2 (3)
C6B—O21B—H21B 110.00 N1A—C11A—C10A 111.3 (2)
O32B—N3B—C3B 117.7 (2) N8A—C13A—C12A 104.7 (9)
O31B—N3B—O32B 123.7 (2) N1A—C2A—H21A 109.00
O31B—N3B—C3B 118.6 (2) N1A—C2A—H22A 109.00
O52B—N5B—C5B 117.7 (2) C3A—C2A—H21A 109.00
O51B—N5B—C5B 118.7 (2) C3A—C2A—H22A 109.00
O51B—N5B—O52B 123.5 (2) H21A—C2A—H22A 108.00
C2A—N1A—C11A 116.36 (18) C2A—C3A—H31A 109.00
C7A—N1A—C11A 121.90 (19) C2A—C3A—H32A 109.00
C2A—N1A—C7A 121.74 (19) C4A—C3A—H31A 109.00
C7A—N8A—C13A 122.0 (5) C4A—C3A—H32A 109.00
C7A—N8A—C9A 122.5 (3) H31A—C3A—H32A 108.00
C9A—N8A—H8A 119.3 (14) C3A—C4A—H41A 109.00
C13A—N8A—H8A 119.6 (15) C3A—C4A—H42A 109.00
C7A—N8A—H8A 117.0 (14) C5A—C4A—H41A 109.00
C2B—C1B—C6B 120.78 (18) C5A—C4A—H42A 109.00
C2B—C1B—C11B 119.6 (2) H41A—C4A—H42A 108.00
C6B—C1B—C11B 119.6 (2) C4A—C5A—H51A 109.00
O2B—C2B—C1B 122.0 (2) C4A—C5A—H52A 109.00
C1B—C2B—C3B 117.4 (2) C6A—C5A—H51A 109.00
O2B—C2B—C3B 120.5 (2) C6A—C5A—H52A 109.00
N3B—C3B—C4B 117.1 (2) H51A—C5A—H52A 108.00
C2B—C3B—C4B 122.3 (2) C5A—C6A—H61A 109.00
N3B—C3B—C2B 120.6 (2) C5A—C6A—H62A 109.00
C3B—C4B—C5B 118.84 (19) C7A—C6A—H61A 109.00
C4B—C5B—C6B 121.43 (19) C7A—C6A—H62A 109.00
N5B—C5B—C4B 118.69 (18) H61A—C6A—H62A 108.00
N5B—C5B—C6B 119.88 (19) N8A—C9A—H91A 110.00
O21B—C6B—C1B 118.7 (3) N8A—C9A—H92A 110.00
O21B—C6B—C5B 122.0 (3) C10A—C9A—H91A 110.00
C1B—C6B—C5B 119.23 (19) C10A—C9A—H92A 110.00
O12B—C11B—C1B 116.6 (2) H91A—C9A—H92A 109.00
O11B—C11B—C1B 119.3 (2) C9A—C10A—H10A 110.00
O11B—C11B—O12B 124.1 (2) C9A—C10A—H11A 110.00
C3B—C2B—H61B 121.00 C11A—C10A—H10A 110.00
C1B—C2B—H61B 122.00 C11A—C10A—H11A 110.00
C5B—C4B—H4B 121.00 H10A—C10A—H11A 108.00
C3B—C4B—H4B 121.00 N1A—C11A—H12A 109.00
C1B—C6B—H6B 120.00 N1A—C11A—H13A 109.00
C5B—C6B—H6B 121.00 C10A—C11A—H12A 109.00
N1A—C2A—C3A 114.04 (18) C10A—C11A—H13A 109.00
C2A—C3A—C4A 114.2 (2) H12A—C11A—H13A 108.00
C3A—C4A—C5A 114.5 (2) C13A—C12A—H15A 110.00
C4A—C5A—C6A 114.4 (2) H14A—C12A—H15A 108.00
C5A—C6A—C7A 112.9 (2) N8A—C13A—H16A 111.00
N1A—C7A—N8A 121.8 (2) N8A—C13A—H17A 111.00
N1A—C7A—C6A 120.35 (19) C12A—C13A—H16A 111.00
N8A—C7A—C6A 117.82 (19) C12A—C13A—H17A 111.00
N8A—C9A—C10A 106.7 (3) H16A—C13A—H17A 109.00
O31B—N3B—C3B—C2B 23.9 (3) C6B—C1B—C11B—O11B 3.1 (3)
O31B—N3B—C3B—C4B −157.2 (2) C6B—C1B—C11B—O12B −175.8 (2)
O32B—N3B—C3B—C2B −155.2 (2) C2B—C1B—C11B—O11B −179.4 (2)
O32B—N3B—C3B—C4B 23.8 (3) C2B—C1B—C11B—O12B 1.8 (3)
O51B—N5B—C5B—C4B 3.7 (3) C11B—C1B—C6B—C5B 175.2 (2)
O51B—N5B—C5B—C6B −176.8 (2) O2B—C2B—C3B—N3B 5.6 (4)
O52B—N5B—C5B—C4B −177.5 (2) O2B—C2B—C3B—C4B −173.3 (2)
O52B—N5B—C5B—C6B 2.0 (3) C1B—C2B—C3B—N3B −178.5 (2)
C2A—N1A—C7A—N8A −176.4 (2) C1B—C2B—C3B—C4B 2.7 (3)
C2A—N1A—C7A—C6A 6.0 (3) C2B—C3B—C4B—C5B −2.9 (3)
C11A—N1A—C7A—N8A 2.7 (3) N3B—C3B—C4B—C5B 178.3 (2)
C11A—N1A—C7A—C6A −175.0 (2) C3B—C4B—C5B—C6B 0.4 (3)
C2A—N1A—C11A—C10A −163.0 (2) C3B—C4B—C5B—N5B 179.9 (2)
C7A—N1A—C2A—C3A −71.7 (3) N5B—C5B—C6B—C1B −177.36 (19)
C11A—N1A—C2A—C3A 109.2 (2) C4B—C5B—C6B—C1B 2.1 (3)
C7A—N1A—C11A—C10A 17.9 (3) N1A—C2A—C3A—C4A 78.8 (3)
C7A—N8A—C9A—C10A −38.8 (4) C2A—C3A—C4A—C5A −57.5 (3)
C9A—N8A—C7A—C6A −173.2 (3) C3A—C4A—C5A—C6A 61.0 (3)
C9A—N8A—C7A—N1A 9.1 (4) C4A—C5A—C6A—C7A −82.0 (3)
C6B—C1B—C2B—C3B 0.0 (3) C5A—C6A—C7A—N1A 63.3 (3)
C11B—C1B—C2B—O2B −1.6 (3) C5A—C6A—C7A—N8A −114.5 (2)
C11B—C1B—C2B—C3B −177.5 (2) N8A—C9A—C10A—C11A 56.2 (4)
C2B—C1B—C6B—C5B −2.3 (3) C9A—C10A—C11A—N1A −47.7 (4)
C6B—C1B—C2B—O2B 175.9 (2)