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. 2016 Apr 15;72(Pt 5):687–691. doi: 10.1107/S2056989016005843
C1—O12 1.429 (7) C13—H13C 0.9700
C1—C11 1.509 (9) O14—C15 1.410 (9)
C1—C2 1.545 (9) C15—H15A 0.9700
C1—H1 0.9900 C15—H15B 0.9700
C2—N3 1.498 (7) C15—H15C 0.9700
C2—C13 1.521 (9) C16—C17 1.492 (9)
C2—H2 0.9900 C16—H16A 0.9800
N3—C4 1.477 (8) C16—H16B 0.9800
N3—C16 1.486 (8) C17—C18 1.535 (10)
C4—C5 1.525 (9) C17—H17A 0.9800
C4—H4A 0.9800 C17—H17B 0.9800
C4—H4B 0.9800 C18—C19 1.524 (10)
C5—C6 1.531 (8) C18—H18A 0.9800
C5—H5A 0.9800 C18—H18B 0.9800
C5—H5B 0.9800 C19—C20 1.507 (11)
C6—C11 1.387 (9) C19—H19A 0.9800
C6—C7 1.395 (9) C19—H19B 0.9800
C7—C8 1.408 (9) C20—C21 1.374 (11)
C7—H7 0.9400 C20—C25 1.378 (11)
C8—O14 1.361 (8) C21—C22 1.410 (13)
C8—C9 1.384 (9) C21—H21 0.9400
C9—C10 1.369 (9) C22—C23 1.338 (14)
C9—H9 0.9400 C22—H22 0.9400
C10—C11 1.397 (8) C23—C24 1.365 (14)
C10—H10 0.9400 C23—H23 0.9400
O12—H12 0.8300 C24—C25 1.383 (13)
C13—H13A 0.9700 C24—H24 0.9400
C13—H13B 0.9700 C25—H25 0.9400
O12—C1—C11 110.8 (5) H13B—C13—H13C 109.5
O12—C1—C2 106.2 (5) C8—O14—C15 118.5 (6)
C11—C1—C2 113.8 (5) O14—C15—H15A 109.5
O12—C1—H1 108.6 O14—C15—H15B 109.5
C11—C1—H1 108.6 H15A—C15—H15B 109.5
C2—C1—H1 108.6 O14—C15—H15C 109.5
N3—C2—C13 114.9 (5) H15A—C15—H15C 109.5
N3—C2—C1 112.7 (5) H15B—C15—H15C 109.5
C13—C2—C1 111.8 (5) N3—C16—C17 116.4 (5)
N3—C2—H2 105.5 N3—C16—H16A 108.2
C13—C2—H2 105.5 C17—C16—H16A 108.2
C1—C2—H2 105.5 N3—C16—H16B 108.2
C4—N3—C16 109.7 (5) C17—C16—H16B 108.2
C4—N3—C2 113.6 (5) H16A—C16—H16B 107.3
C16—N3—C2 111.1 (5) C16—C17—C18 112.7 (6)
N3—C4—C5 115.2 (5) C16—C17—H17A 109.0
N3—C4—H4A 108.5 C18—C17—H17A 109.0
C5—C4—H4A 108.5 C16—C17—H17B 109.0
N3—C4—H4B 108.5 C18—C17—H17B 109.0
C5—C4—H4B 108.5 H17A—C17—H17B 107.8
H4A—C4—H4B 107.5 C19—C18—C17 111.9 (6)
C4—C5—C6 113.5 (5) C19—C18—H18A 109.2
C4—C5—H5A 108.9 C17—C18—H18A 109.2
C6—C5—H5A 108.9 C19—C18—H18B 109.2
C4—C5—H5B 108.9 C17—C18—H18B 109.2
C6—C5—H5B 108.9 H18A—C18—H18B 107.9
H5A—C5—H5B 107.7 C20—C19—C18 113.8 (7)
C11—C6—C7 121.4 (5) C20—C19—H19A 108.8
C11—C6—C5 120.2 (6) C18—C19—H19A 108.8
C7—C6—C5 118.4 (5) C20—C19—H19B 108.8
C6—C7—C8 119.8 (6) C18—C19—H19B 108.8
C6—C7—H7 120.1 H19A—C19—H19B 107.7
C8—C7—H7 120.1 C21—C20—C25 117.9 (8)
O14—C8—C9 117.0 (6) C21—C20—C19 119.6 (9)
O14—C8—C7 124.5 (6) C25—C20—C19 122.6 (8)
C9—C8—C7 118.4 (7) C20—C21—C22 119.6 (9)
C10—C9—C8 121.0 (6) C20—C21—H21 120.2
C10—C9—H9 119.5 C22—C21—H21 120.2
C8—C9—H9 119.5 C23—C22—C21 121.0 (9)
C9—C10—C11 121.8 (6) C23—C22—H22 119.5
C9—C10—H10 119.1 C21—C22—H22 119.5
C11—C10—H10 119.1 C22—C23—C24 120.4 (9)
C6—C11—C10 117.5 (6) C22—C23—H23 119.8
C6—C11—C1 121.5 (5) C24—C23—H23 119.8
C10—C11—C1 120.9 (6) C23—C24—C25 119.1 (10)
C1—O12—H12 109.5 C23—C24—H24 120.5
C2—C13—H13A 109.5 C25—C24—H24 120.5
C2—C13—H13B 109.5 C20—C25—C24 122.0 (9)
H13A—C13—H13B 109.5 C20—C25—H25 119.0
C2—C13—H13C 109.5 C24—C25—H25 119.0
H13A—C13—H13C 109.5
O12—C1—C2—N3 −155.6 (5) C9—C10—C11—C6 −1.4 (10)
C11—C1—C2—N3 82.3 (6) C9—C10—C11—C1 −178.8 (7)
O12—C1—C2—C13 73.2 (7) O12—C1—C11—C6 177.6 (6)
C11—C1—C2—C13 −49.0 (7) C2—C1—C11—C6 −62.8 (7)
C13—C2—N3—C4 62.0 (7) O12—C1—C11—C10 −5.1 (8)
C1—C2—N3—C4 −67.7 (7) C2—C1—C11—C10 114.5 (7)
C13—C2—N3—C16 −62.1 (7) C9—C8—O14—C15 −177.4 (7)
C1—C2—N3—C16 168.2 (5) C7—C8—O14—C15 0.6 (11)
C16—N3—C4—C5 −167.4 (5) C4—N3—C16—C17 177.1 (6)
C2—N3—C4—C5 67.6 (7) C2—N3—C16—C17 −56.6 (7)
N3—C4—C5—C6 −80.9 (7) N3—C16—C17—C18 −166.4 (6)
C4—C5—C6—C11 63.5 (8) C16—C17—C18—C19 76.1 (9)
C4—C5—C6—C7 −116.2 (7) C17—C18—C19—C20 177.5 (7)
C11—C6—C7—C8 1.0 (10) C18—C19—C20—C21 −98.4 (10)
C5—C6—C7—C8 −179.2 (6) C18—C19—C20—C25 81.5 (11)
C6—C7—C8—O14 179.8 (7) C25—C20—C21—C22 0.7 (12)
C6—C7—C8—C9 −2.2 (10) C19—C20—C21—C22 −179.3 (8)
O14—C8—C9—C10 179.8 (7) C20—C21—C22—C23 0.3 (14)
C7—C8—C9—C10 1.6 (11) C21—C22—C23—C24 −0.3 (16)
C8—C9—C10—C11 0.2 (12) C22—C23—C24—C25 −0.7 (16)
C7—C6—C11—C10 0.7 (9) C21—C20—C25—C24 −1.7 (13)
C5—C6—C11—C10 −179.0 (6) C19—C20—C25—C24 178.3 (8)
C7—C6—C11—C1 178.1 (6) C23—C24—C25—C20 1.8 (15)
C5—C6—C11—C1 −1.7 (9)