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. 2012 Mar 7;68(Pt 4):o929–o930. doi: 10.1107/S1600536812008008
O1—C29 1.2343 (19) C34—C35 1.380 (2)
O2—C33 1.374 (2) C1—H1 1.0000
O2—C36 1.420 (3) C6—H6 1.0000
N1—C1 1.494 (2) C7—H7 1.0000
N1—C12 1.501 (2) C12—H12 1.0000
N1—C29 1.376 (2) C13—H13A 0.9900
N2—C3 1.380 (2) C13—H13B 0.9900
N2—C4 1.380 (2) C14—H14A 0.9900
N3—C6 1.483 (2) C14—H14B 0.9900
N3—C7 1.474 (2) C15—H15A 0.9800
N4—C9 1.377 (2) C15—H15B 0.9800
N4—C10 1.378 (2) C15—H15C 0.9800
N2—H2A 0.8800 C16—H16A 0.9800
N3—H3N 0.924 (18) C16—H16B 0.9800
N4—H4A 0.8800 C16—H16C 0.9800
C1—C2 1.561 (2) C17—H17 0.9500
C1—C14 1.538 (2) C18—H18 0.9500
C2—C3 1.518 (2) C19—H19A 0.9800
C2—C27 1.546 (2) C19—H19B 0.9800
C2—C28 1.531 (2) C19—H19C 0.9800
C3—C26 1.372 (2) C20—H20A 0.9800
C4—C5 1.510 (2) C20—H20B 0.9800
C4—C25 1.369 (2) C20—H20C 0.9800
C5—C23 1.539 (2) C21—H21A 0.9900
C5—C6 1.547 (2) C21—H21B 0.9900
C5—C24 1.542 (2) C22—H22A 0.9900
C6—C22 1.547 (2) C22—H22B 0.9900
C7—C8 1.546 (2) C23—H23A 0.9800
C7—C21 1.523 (2) C23—H23B 0.9800
C8—C20 1.549 (2) C23—H23C 0.9800
C8—C9 1.516 (2) C24—H24A 0.9800
C8—C19 1.540 (2) C24—H24B 0.9800
C9—C18 1.370 (2) C24—H24C 0.9800
C10—C11 1.517 (2) C25—H25 0.9500
C10—C17 1.375 (2) C26—H26 0.9500
C11—C16 1.549 (2) C27—H27A 0.9800
C11—C12 1.573 (2) C27—H27B 0.9800
C11—C15 1.531 (2) C27—H27C 0.9800
C12—C13 1.536 (2) C28—H28A 0.9800
C13—C14 1.527 (3) C28—H28B 0.9800
C17—C18 1.411 (2) C28—H28C 0.9800
C21—C22 1.530 (2) C31—H31 0.9500
C25—C26 1.410 (3) C32—H32 0.9500
C29—C30 1.508 (2) C34—H34 0.9500
C30—C35 1.390 (2) C35—H35 0.9500
C30—C31 1.390 (2) C36—H36A 0.9800
C31—C32 1.390 (2) C36—H36B 0.9800
C32—C33 1.383 (3) C36—H36C 0.9800
C33—C34 1.386 (3)
C33—O2—C36 117.72 (16) C11—C12—H12 107.00
C1—N1—C12 112.15 (12) C13—C12—H12 107.00
C1—N1—C29 119.01 (13) C12—C13—H13A 111.00
C12—N1—C29 116.83 (12) C12—C13—H13B 111.00
C3—N2—C4 110.65 (13) C14—C13—H13A 111.00
C6—N3—C7 105.81 (12) C14—C13—H13B 111.00
C9—N4—C10 111.22 (13) H13A—C13—H13B 109.00
C4—N2—H2A 125.00 C1—C14—H14A 111.00
C3—N2—H2A 125.00 C1—C14—H14B 111.00
C6—N3—H3N 111.0 (11) C13—C14—H14A 111.00
C7—N3—H3N 111.9 (11) C13—C14—H14B 111.00
C10—N4—H4A 124.00 H14A—C14—H14B 109.00
C9—N4—H4A 124.00 C11—C15—H15A 109.00
N1—C1—C14 101.34 (12) C11—C15—H15B 109.00
N1—C1—C2 117.02 (13) C11—C15—H15C 109.00
C2—C1—C14 117.27 (13) H15A—C15—H15B 109.00
C1—C2—C28 113.95 (13) H15A—C15—H15C 110.00
C1—C2—C3 110.60 (13) H15B—C15—H15C 109.00
C1—C2—C27 105.44 (13) C11—C16—H16A 109.00
C27—C2—C28 108.30 (13) C11—C16—H16B 109.00
C3—C2—C27 108.06 (13) C11—C16—H16C 110.00
C3—C2—C28 110.20 (13) H16A—C16—H16B 109.00
C2—C3—C26 130.52 (15) H16A—C16—H16C 109.00
N2—C3—C26 106.43 (14) H16B—C16—H16C 109.00
N2—C3—C2 123.03 (14) C10—C17—H17 126.00
C5—C4—C25 130.40 (15) C18—C17—H17 126.00
N2—C4—C5 123.19 (14) C9—C18—H18 126.00
N2—C4—C25 106.37 (14) C17—C18—H18 126.00
C4—C5—C6 111.30 (13) C8—C19—H19A 109.00
C6—C5—C23 109.22 (13) C8—C19—H19B 109.00
C4—C5—C23 111.77 (14) C8—C19—H19C 110.00
C4—C5—C24 108.75 (14) H19A—C19—H19B 110.00
C6—C5—C24 107.21 (14) H19A—C19—H19C 109.00
C23—C5—C24 108.44 (14) H19B—C19—H19C 109.00
N3—C6—C22 104.00 (13) C8—C20—H20A 109.00
N3—C6—C5 113.18 (13) C8—C20—H20B 110.00
C5—C6—C22 114.39 (13) C8—C20—H20C 109.00
N3—C7—C8 114.92 (13) H20A—C20—H20B 110.00
N3—C7—C21 100.76 (13) H20A—C20—H20C 110.00
C8—C7—C21 118.57 (14) H20B—C20—H20C 109.00
C7—C8—C20 108.51 (13) C7—C21—H21A 111.00
C9—C8—C19 109.67 (13) C7—C21—H21B 111.00
C7—C8—C9 114.89 (13) C22—C21—H21A 111.00
C7—C8—C19 107.19 (13) C22—C21—H21B 111.00
C9—C8—C20 107.94 (13) H21A—C21—H21B 109.00
C19—C8—C20 108.49 (14) C6—C22—H22A 111.00
N4—C9—C8 122.37 (14) C6—C22—H22B 111.00
N4—C9—C18 106.23 (14) C21—C22—H22A 111.00
C8—C9—C18 130.20 (15) C21—C22—H22B 111.00
N4—C10—C17 105.94 (14) H22A—C22—H22B 109.00
N4—C10—C11 122.17 (13) C5—C23—H23A 110.00
C11—C10—C17 131.82 (15) C5—C23—H23B 110.00
C12—C11—C16 105.33 (13) C5—C23—H23C 110.00
C10—C11—C15 109.30 (13) H23A—C23—H23B 109.00
C15—C11—C16 107.95 (13) H23A—C23—H23C 109.00
C10—C11—C12 115.78 (13) H23B—C23—H23C 109.00
C10—C11—C16 107.19 (13) C5—C24—H24A 109.00
C12—C11—C15 110.90 (13) C5—C24—H24B 109.00
N1—C12—C13 104.01 (12) C5—C24—H24C 109.00
N1—C12—C11 116.90 (13) H24A—C24—H24B 110.00
C11—C12—C13 115.38 (13) H24A—C24—H24C 109.00
C12—C13—C14 104.81 (13) H24B—C24—H24C 109.00
C1—C14—C13 105.49 (14) C4—C25—H25 126.00
C10—C17—C18 108.32 (15) C26—C25—H25 126.00
C9—C18—C17 108.28 (15) C3—C26—H26 126.00
C7—C21—C22 102.13 (13) C25—C26—H26 126.00
C6—C22—C21 105.24 (13) C2—C27—H27A 109.00
C4—C25—C26 108.45 (15) C2—C27—H27B 110.00
C3—C26—C25 108.11 (15) C2—C27—H27C 110.00
O1—C29—N1 121.72 (14) H27A—C27—H27B 109.00
N1—C29—C30 120.64 (13) H27A—C27—H27C 110.00
O1—C29—C30 117.41 (14) H27B—C27—H27C 109.00
C31—C30—C35 117.79 (15) C2—C28—H28A 109.00
C29—C30—C35 115.71 (14) C2—C28—H28B 109.00
C29—C30—C31 125.98 (14) C2—C28—H28C 109.00
C30—C31—C32 121.51 (16) H28A—C28—H28B 110.00
C31—C32—C33 119.49 (16) H28A—C28—H28C 109.00
O2—C33—C32 125.09 (17) H28B—C28—H28C 109.00
O2—C33—C34 115.15 (16) C30—C31—H31 119.00
C32—C33—C34 119.75 (17) C32—C31—H31 119.00
C33—C34—C35 120.14 (17) C31—C32—H32 120.00
C30—C35—C34 121.29 (16) C33—C32—H32 120.00
N1—C1—H1 107.00 C33—C34—H34 120.00
C2—C1—H1 107.00 C35—C34—H34 120.00
C14—C1—H1 107.00 C30—C35—H35 119.00
N3—C6—H6 108.00 C34—C35—H35 119.00
C5—C6—H6 108.00 O2—C36—H36A 109.00
C22—C6—H6 108.00 O2—C36—H36B 109.00
N3—C7—H7 107.00 O2—C36—H36C 109.00
C8—C7—H7 107.00 H36A—C36—H36B 109.00
C21—C7—H7 107.00 H36A—C36—H36C 109.00
N1—C12—H12 107.00 H36B—C36—H36C 110.00
C36—O2—C33—C32 −4.9 (3) C24—C5—C6—N3 −167.61 (13)
C36—O2—C33—C34 174.72 (18) C24—C5—C6—C22 73.50 (17)
C12—N1—C1—C2 107.23 (15) N3—C6—C22—C21 0.44 (17)
C12—N1—C1—C14 −21.59 (16) C5—C6—C22—C21 124.39 (15)
C29—N1—C1—C2 −111.23 (16) N3—C7—C8—C9 −48.77 (18)
C29—N1—C1—C14 119.95 (14) N3—C7—C8—C19 −170.90 (13)
C1—N1—C12—C11 −127.09 (14) N3—C7—C8—C20 72.12 (17)
C1—N1—C12—C13 1.36 (16) C21—C7—C8—C9 70.41 (19)
C29—N1—C12—C11 90.47 (17) C21—C7—C8—C19 −51.73 (19)
C29—N1—C12—C13 −141.08 (14) C21—C7—C8—C20 −168.70 (14)
C1—N1—C29—O1 −149.49 (15) N3—C7—C21—C22 −43.89 (15)
C1—N1—C29—C30 36.2 (2) C8—C7—C21—C22 −170.18 (14)
C12—N1—C29—O1 −9.7 (2) C7—C8—C9—N4 52.8 (2)
C12—N1—C29—C30 175.94 (13) C7—C8—C9—C18 −141.52 (18)
C4—N2—C3—C2 −177.68 (14) C19—C8—C9—N4 173.56 (14)
C4—N2—C3—C26 0.71 (18) C19—C8—C9—C18 −20.7 (2)
C3—N2—C4—C5 177.31 (14) C20—C8—C9—N4 −68.43 (19)
C3—N2—C4—C25 −0.66 (18) C20—C8—C9—C18 97.3 (2)
C7—N3—C6—C5 −153.56 (13) N4—C9—C18—C17 0.74 (19)
C7—N3—C6—C22 −28.83 (16) C8—C9—C18—C17 −166.71 (16)
C6—N3—C7—C8 174.58 (13) N4—C10—C11—C12 −109.38 (16)
C6—N3—C7—C21 45.89 (15) N4—C10—C11—C15 16.7 (2)
C10—N4—C9—C8 168.50 (14) N4—C10—C11—C16 133.45 (15)
C10—N4—C9—C18 −0.16 (18) C17—C10—C11—C12 74.0 (2)
C9—N4—C10—C11 −177.86 (14) C17—C10—C11—C15 −159.91 (17)
C9—N4—C10—C17 −0.49 (18) C17—C10—C11—C16 −43.2 (2)
N1—C1—C2—C3 52.15 (18) N4—C10—C17—C18 0.94 (19)
N1—C1—C2—C27 168.72 (13) C11—C10—C17—C18 177.95 (16)
N1—C1—C2—C28 −72.64 (18) C10—C11—C12—N1 75.88 (17)
C14—C1—C2—C3 172.90 (14) C10—C11—C12—C13 −46.87 (19)
C14—C1—C2—C27 −70.53 (17) C15—C11—C12—N1 −49.38 (18)
C14—C1—C2—C28 48.11 (19) C15—C11—C12—C13 −172.14 (14)
N1—C1—C14—C13 33.50 (16) C16—C11—C12—N1 −165.92 (13)
C2—C1—C14—C13 −95.17 (16) C16—C11—C12—C13 71.33 (17)
C1—C2—C3—N2 −83.99 (18) N1—C12—C13—C14 19.90 (16)
C1—C2—C3—C26 98.0 (2) C11—C12—C13—C14 149.28 (13)
C27—C2—C3—N2 161.07 (15) C12—C13—C14—C1 −33.92 (17)
C27—C2—C3—C26 −16.9 (2) C10—C17—C18—C9 −1.1 (2)
C28—C2—C3—N2 42.9 (2) C7—C21—C22—C6 26.63 (17)
C28—C2—C3—C26 −135.07 (18) C4—C25—C26—C3 0.09 (19)
N2—C3—C26—C25 −0.48 (18) O1—C29—C30—C31 108.99 (19)
C2—C3—C26—C25 177.74 (16) O1—C29—C30—C35 −62.4 (2)
N2—C4—C5—C6 −53.7 (2) N1—C29—C30—C31 −76.4 (2)
N2—C4—C5—C23 68.7 (2) N1—C29—C30—C35 112.15 (17)
N2—C4—C5—C24 −171.63 (15) C29—C30—C31—C32 −171.98 (16)
C25—C4—C5—C6 123.70 (19) C35—C30—C31—C32 −0.7 (2)
C25—C4—C5—C23 −113.9 (2) C29—C30—C35—C34 173.61 (16)
C25—C4—C5—C24 5.8 (2) C31—C30—C35—C34 1.4 (3)
N2—C4—C25—C26 0.34 (19) C30—C31—C32—C33 −0.5 (3)
C5—C4—C25—C26 −177.43 (16) C31—C32—C33—O2 −179.42 (17)
C4—C5—C6—N3 73.58 (16) C31—C32—C33—C34 1.0 (3)
C4—C5—C6—C22 −45.31 (18) O2—C33—C34—C35 −179.91 (18)
C23—C5—C6—N3 −50.31 (18) C32—C33—C34—C35 −0.3 (3)
C23—C5—C6—C22 −169.19 (14) C33—C34—C35—C30 −1.0 (3)