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. 2022 Jun 28;78(Pt 7):742–745. doi: 10.1107/S2056989022006508
N1—C2 1.472 (3) C27—H27C 0.9800
N1—C7 1.486 (3) C27'—H27D 0.9800
N1—C1 1.491 (3) C27'—H27E 0.9800
O1—C12 1.360 (4) C27'—H27F 0.9800
O1—H1 0.92 (4) C25—C26 1.380 (4)
O4—C3 1.402 (4) C25—H25 0.9500
O4—H4 0.8400 C26—H26 0.9500
O4'—C3 1.387 (6) N2—C8 1.486 (4)
O4'—H4' 0.8400 N2—C8' 1.494 (8)
C1—N2 1.467 (3) O3—C34 1.382 (5)
C1—C11 1.514 (4) O3—C37 1.428 (5)
C1—H1A 1.0000 C31—C36 1.381 (5)
C2—C3 1.508 (4) C31—C32 1.385 (4)
C2—H2A 0.9900 C31—C8 1.499 (5)
C2—H2B 0.9900 C32—C33 1.377 (4)
C3—C4 1.504 (4) C32—H32 0.9500
C3—H3 1.0000 C33—C34 1.389 (7)
C3—H3' 1.0000 C33—H33 0.9500
C4—N2 1.463 (4) C34—C35 1.369 (7)
C4—H4A 0.9900 C35—C36 1.398 (5)
C4—H4B 0.9900 C35—H35 0.9500
C7—C21 1.508 (4) C36—H36 0.9500
C7—H7A 0.9900 C37—H37A 0.9800
C7—H7B 0.9900 C37—H37B 0.9800
C11—C16 1.387 (3) C37—H37C 0.9800
C11—C12 1.400 (4) C8—H8A 0.9900
C12—C13 1.411 (4) C8—H8B 0.9900
C13—C14 1.372 (4) O3'—C34' 1.388 (14)
C13—H13 0.9500 O3'—C37' 1.443 (15)
C14—C15 1.359 (4) C31'—C32' 1.378 (12)
C14—H14 0.9500 C31'—C36' 1.400 (12)
C15—C16 1.389 (4) C31'—C8' 1.508 (15)
C15—H15 0.9500 C32'—C33' 1.47 (3)
C16—H16 0.9500 C32'—H32' 0.9500
C21—C22 1.390 (4) C33'—C34' 1.38 (4)
C21—C26 1.392 (4) C33'—H33' 0.9500
C22—C23 1.381 (4) C34'—C35' 1.396 (12)
C22—H22 0.9500 C35'—C36' 1.380 (11)
C23—C24 1.382 (4) C35'—H35' 0.9500
C23—H23 0.9500 C36'—H36' 0.9500
C24—O2 1.378 (3) C37'—H37D 0.9800
C24—C25 1.387 (4) C37'—H37E 0.9800
O2—C27 1.440 (5) C37'—H37F 0.9800
O2—C27' 1.459 (16) C8'—H8C 0.9900
C27—H27A 0.9800 C8'—H8D 0.9900
C27—H27B 0.9800
C2—N1—C7 109.8 (2) O2—C27'—H27D 109.5
C2—N1—C1 112.8 (2) O2—C27'—H27E 109.5
C7—N1—C1 109.24 (18) H27D—C27'—H27E 109.5
C12—O1—H1 114 (2) O2—C27'—H27F 109.5
C3—O4—H4 109.5 H27D—C27'—H27F 109.5
C3—O4'—H4' 109.5 H27E—C27'—H27F 109.5
N2—C1—N1 109.64 (18) C26—C25—C24 119.9 (3)
N2—C1—C11 109.2 (2) C26—C25—H25 120.0
N1—C1—C11 109.1 (2) C24—C25—H25 120.0
N2—C1—H1A 109.6 C25—C26—C21 121.6 (2)
N1—C1—H1A 109.6 C25—C26—H26 119.2
C11—C1—H1A 109.6 C21—C26—H26 119.2
N1—C2—C3 109.9 (2) C4—N2—C1 113.6 (2)
N1—C2—H2A 109.7 C4—N2—C8 106.1 (2)
C3—C2—H2A 109.7 C1—N2—C8 110.4 (2)
N1—C2—H2B 109.7 C4—N2—C8' 120.4 (8)
C3—C2—H2B 109.7 C1—N2—C8' 111.3 (7)
H2A—C2—H2B 108.2 C34—O3—C37 117.1 (4)
O4'—C3—C4 105.0 (4) C36—C31—C32 117.3 (3)
O4—C3—C4 110.5 (3) C36—C31—C8 121.4 (3)
O4'—C3—C2 112.2 (4) C32—C31—C8 121.2 (3)
O4—C3—C2 109.8 (3) C33—C32—C31 122.0 (3)
C4—C3—C2 109.3 (2) C33—C32—H32 119.0
O4—C3—H3 109.0 C31—C32—H32 119.0
C4—C3—H3 109.0 C32—C33—C34 119.5 (4)
C2—C3—H3 109.0 C32—C33—H33 120.2
O4'—C3—H3' 110.1 C34—C33—H33 120.2
C4—C3—H3' 110.1 C35—C34—O3 124.9 (5)
C2—C3—H3' 110.1 C35—C34—C33 120.1 (4)
N2—C4—C3 110.2 (2) O3—C34—C33 115.0 (5)
N2—C4—H4A 109.6 C34—C35—C36 119.3 (4)
C3—C4—H4A 109.6 C34—C35—H35 120.4
N2—C4—H4B 109.6 C36—C35—H35 120.4
C3—C4—H4B 109.6 C31—C36—C35 121.8 (3)
H4A—C4—H4B 108.1 C31—C36—H36 119.1
N1—C7—C21 112.9 (2) C35—C36—H36 119.1
N1—C7—H7A 109.0 O3—C37—H37A 109.5
C21—C7—H7A 109.0 O3—C37—H37B 109.5
N1—C7—H7B 109.0 H37A—C37—H37B 109.5
C21—C7—H7B 109.0 O3—C37—H37C 109.5
H7A—C7—H7B 107.8 H37A—C37—H37C 109.5
C16—C11—C12 117.8 (3) H37B—C37—H37C 109.5
C16—C11—C1 121.6 (2) N2—C8—C31 113.1 (3)
C12—C11—C1 120.6 (2) N2—C8—H8A 109.0
O1—C12—C11 121.6 (3) C31—C8—H8A 109.0
O1—C12—C13 119.0 (3) N2—C8—H8B 109.0
C11—C12—C13 119.4 (3) C31—C8—H8B 109.0
C14—C13—C12 120.3 (3) H8A—C8—H8B 107.8
C14—C13—H13 119.8 C34'—O3'—C37' 113.6 (14)
C12—C13—H13 119.8 C32'—C31'—C36' 120.7 (12)
C15—C14—C13 121.1 (3) C32'—C31'—C8' 123.3 (12)
C15—C14—H14 119.5 C36'—C31'—C8' 116.0 (11)
C13—C14—H14 119.5 C31'—C32'—C33' 118.4 (17)
C14—C15—C16 119.0 (3) C31'—C32'—H32' 120.8
C14—C15—H15 120.5 C33'—C32'—H32' 120.8
C16—C15—H15 120.5 C34'—C33'—C32' 119 (2)
C11—C16—C15 122.4 (3) C34'—C33'—H33' 120.7
C11—C16—H16 118.8 C32'—C33'—H33' 120.7
C15—C16—H16 118.8 C33'—C34'—O3' 124.6 (16)
C22—C21—C26 117.3 (2) C33'—C34'—C35' 121.9 (17)
C22—C21—C7 121.9 (2) O3'—C34'—C35' 113.5 (11)
C26—C21—C7 120.8 (2) C36'—C35'—C34' 119.1 (12)
C23—C22—C21 121.7 (3) C36'—C35'—H35' 120.4
C23—C22—H22 119.1 C34'—C35'—H35' 120.4
C21—C22—H22 119.1 C35'—C36'—C31' 121.2 (11)
C22—C23—C24 120.0 (2) C35'—C36'—H36' 119.4
C22—C23—H23 120.0 C31'—C36'—H36' 119.4
C24—C23—H23 120.0 O3'—C37'—H37D 109.5
O2—C24—C23 125.3 (2) O3'—C37'—H37E 109.5
O2—C24—C25 115.2 (3) H37D—C37'—H37E 109.5
C23—C24—C25 119.4 (3) O3'—C37'—H37F 109.5
C24—O2—C27 116.8 (4) H37D—C37'—H37F 109.5
C24—O2—C27' 116.8 (16) H37E—C37'—H37F 109.5
O2—C27—H27A 109.5 N2—C8'—C31' 115.0 (11)
O2—C27—H27B 109.5 N2—C8'—H8C 108.5
H27A—C27—H27B 109.5 C31'—C8'—H8C 108.5
O2—C27—H27C 109.5 N2—C8'—H8D 108.5
H27A—C27—H27C 109.5 C31'—C8'—H8D 108.5
H27B—C27—H27C 109.5 H8C—C8'—H8D 107.5
C2—N1—C1—N2 −54.3 (3) C22—C21—C26—C25 −0.4 (4)
C7—N1—C1—N2 −176.7 (2) C7—C21—C26—C25 179.7 (2)
C2—N1—C1—C11 −173.8 (2) C3—C4—N2—C1 −57.1 (3)
C7—N1—C1—C11 63.8 (3) C3—C4—N2—C8 −178.6 (2)
C7—N1—C2—C3 179.1 (2) C3—C4—N2—C8' 167.1 (7)
C1—N1—C2—C3 57.0 (3) N1—C1—N2—C4 54.3 (3)
N1—C2—C3—O4' −173.5 (4) C11—C1—N2—C4 173.8 (2)
N1—C2—C3—O4 63.9 (3) N1—C1—N2—C8 173.5 (2)
N1—C2—C3—C4 −57.5 (3) C11—C1—N2—C8 −67.1 (3)
O4'—C3—C4—N2 177.8 (4) N1—C1—N2—C8' −165.8 (8)
O4—C3—C4—N2 −63.8 (3) C11—C1—N2—C8' −46.4 (8)
C2—C3—C4—N2 57.2 (3) C36—C31—C32—C33 −1.3 (5)
C2—N1—C7—C21 58.8 (3) C8—C31—C32—C33 175.7 (3)
C1—N1—C7—C21 −177.1 (2) C31—C32—C33—C34 0.6 (7)
N2—C1—C11—C16 107.0 (3) C37—O3—C34—C35 2.8 (10)
N1—C1—C11—C16 −133.2 (2) C37—O3—C34—C33 −176.7 (5)
N2—C1—C11—C12 −69.9 (3) C32—C33—C34—C35 0.4 (9)
N1—C1—C11—C12 49.9 (3) C32—C33—C34—O3 179.9 (5)
C16—C11—C12—O1 177.4 (3) O3—C34—C35—C36 179.9 (6)
C1—C11—C12—O1 −5.6 (4) C33—C34—C35—C36 −0.6 (10)
C16—C11—C12—C13 −1.7 (4) C32—C31—C36—C35 1.1 (6)
C1—C11—C12—C13 175.3 (3) C8—C31—C36—C35 −175.9 (4)
O1—C12—C13—C14 −178.5 (3) C34—C35—C36—C31 −0.2 (7)
C11—C12—C13—C14 0.6 (4) C4—N2—C8—C31 −72.2 (4)
C12—C13—C14—C15 0.7 (5) C1—N2—C8—C31 164.2 (3)
C13—C14—C15—C16 −0.7 (4) C36—C31—C8—N2 −43.1 (5)
C12—C11—C16—C15 1.8 (4) C32—C31—C8—N2 140.1 (4)
C1—C11—C16—C15 −175.3 (2) C36'—C31'—C32'—C33' −4 (3)
C14—C15—C16—C11 −0.5 (4) C8'—C31'—C32'—C33' 175 (2)
N1—C7—C21—C22 57.9 (3) C31'—C32'—C33'—C34' 5 (4)
N1—C7—C21—C26 −122.3 (3) C32'—C33'—C34'—O3' 177 (2)
C26—C21—C22—C23 0.8 (4) C32'—C33'—C34'—C35' −4 (4)
C7—C21—C22—C23 −179.3 (2) C37'—O3'—C34'—C33' 7 (3)
C21—C22—C23—C24 −0.2 (4) C37'—O3'—C34'—C35' −172.6 (18)
C22—C23—C24—O2 178.5 (3) C33'—C34'—C35'—C36' 1 (3)
C22—C23—C24—C25 −0.9 (4) O3'—C34'—C35'—C36' −179.2 (13)
C23—C24—O2—C27 1.4 (10) C34'—C35'—C36'—C31' 0 (2)
C25—C24—O2—C27 −179.2 (9) C32'—C31'—C36'—C35' 2 (2)
C23—C24—O2—C27' −26 (3) C8'—C31'—C36'—C35' −177.4 (13)
C25—C24—O2—C27' 153 (3) C4—N2—C8'—C31' −66.0 (14)
O2—C24—C25—C26 −178.2 (2) C1—N2—C8'—C31' 157.2 (11)
C23—C24—C25—C26 1.3 (4) C32'—C31'—C8'—N2 108.9 (18)
C24—C25—C26—C21 −0.6 (4) C36'—C31'—C8'—N2 −72.1 (19)