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. 2017 Apr 18;73(Pt 5):716–719. doi: 10.1107/S2056989017005448
O10—C5 1.276 (3) C3—H3B 0.9900
O11—C5 1.238 (3) C3—C4 1.513 (6)
O12—H12 0.90 (3) C4—H4A 0.9800
O12—C6 1.419 (2) C4—H4B 0.9800
O13—H13 0.85 (3) C4—H4C 0.9800
O13—C7 1.403 (3) N9—H9C 0.92 (2)
O14—H14 0.93 (4) N9—H9A 0.93 (2)
O14—C8 1.299 (3) N9—H9B 0.91 (2)
O15—C8 1.216 (3) C1A—H1AA 0.9800
C5—C6 1.530 (3) C1A—H1AB 0.9800
C6—H6 1.0000 C1A—H1AC 0.9800
C6—C7 1.532 (3) C1A—C2A 1.517 (14)
C7—H7 1.0000 C2A—H2A 1.0000
C7—C8 1.535 (3) C2A—C3A 1.518 (12)
O16—H16A 0.87 (4) C2A—N9A 1.497 (15)
O16—H16B 0.83 (4) C3A—H3AA 0.9900
C1—H1A 0.9800 C3A—H3AB 0.9900
C1—H1B 0.9800 C3A—C4A 1.514 (12)
C1—H1C 0.9800 C4A—H4AA 0.9800
C1—C2 1.542 (7) C4A—H4AB 0.9800
C2—H2 1.0000 C4A—H4AC 0.9800
C2—C3 1.513 (6) N9A—H9AA 0.91 (3)
C2—N9 1.498 (8) N9A—H9AB 0.90 (3)
C3—H3A 0.9900 N9A—H9AC 0.91 (3)
C6—O12—H12 105 (2) C3—C4—H4B 109.5
C7—O13—H13 112 (2) C3—C4—H4C 109.5
C8—O14—H14 110 (3) H4A—C4—H4B 109.5
O10—C5—C6 116.04 (18) H4A—C4—H4C 109.5
O11—C5—O10 126.33 (19) H4B—C4—H4C 109.5
O11—C5—C6 117.59 (18) C2—N9—H9C 116 (5)
O12—C6—C5 110.11 (17) C2—N9—H9A 108 (3)
O12—C6—H6 108.5 C2—N9—H9B 106 (3)
O12—C6—C7 110.12 (16) H9C—N9—H9A 108 (3)
C5—C6—H6 108.5 H9C—N9—H9B 111 (4)
C5—C6—C7 110.96 (17) H9A—N9—H9B 107 (3)
C7—C6—H6 108.5 H1AA—C1A—H1AB 109.5
O13—C7—C6 111.94 (17) H1AA—C1A—H1AC 109.5
O13—C7—H7 108.8 H1AB—C1A—H1AC 109.5
O13—C7—C8 107.33 (16) C2A—C1A—H1AA 109.5
C6—C7—H7 108.8 C2A—C1A—H1AB 109.5
C6—C7—C8 111.13 (17) C2A—C1A—H1AC 109.5
C8—C7—H7 108.8 C1A—C2A—H2A 107.1
O14—C8—C7 114.02 (18) C1A—C2A—C3A 115.6 (11)
O15—C8—O14 125.2 (2) C3A—C2A—H2A 107.1
O15—C8—C7 120.83 (19) N9A—C2A—C1A 109.4 (13)
H16A—O16—H16B 109 (3) N9A—C2A—H2A 107.1
H1A—C1—H1B 109.5 N9A—C2A—C3A 110.0 (12)
H1A—C1—H1C 109.5 C2A—C3A—H3AA 108.5
H1B—C1—H1C 109.5 C2A—C3A—H3AB 108.5
C2—C1—H1A 109.5 H3AA—C3A—H3AB 107.5
C2—C1—H1B 109.5 C4A—C3A—C2A 115.2 (8)
C2—C1—H1C 109.5 C4A—C3A—H3AA 108.5
C1—C2—H2 108.4 C4A—C3A—H3AB 108.5
C3—C2—C1 112.1 (4) C3A—C4A—H4AA 109.5
C3—C2—H2 108.4 C3A—C4A—H4AB 109.5
N9—C2—C1 108.4 (5) C3A—C4A—H4AC 109.5
N9—C2—H2 108.4 H4AA—C4A—H4AB 109.5
N9—C2—C3 111.0 (5) H4AA—C4A—H4AC 109.5
C2—C3—H3A 108.6 H4AB—C4A—H4AC 109.5
C2—C3—H3B 108.6 C2A—N9A—H9AA 119 (8)
H3A—C3—H3B 107.6 C2A—N9A—H9AB 98 (8)
C4—C3—C2 114.7 (4) C2A—N9A—H9AC 104 (6)
C4—C3—H3A 108.6 H9AA—N9A—H9AB 111 (4)
C4—C3—H3B 108.6 H9AA—N9A—H9AC 111 (4)
C3—C4—H4A 109.5 H9AB—N9A—H9AC 112 (4)