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. 2016 Jun 14;72(Pt 7):947–950. doi: 10.1107/S2056989016009403
O4—C9 1.203 (3) C133—H133 0.9500
O101—C107 1.340 (3) C133—C132 1.368 (5)
O101—C108 1.443 (3) C117—C118 1.395 (3)
O103—C109 1.327 (3) C117—C122 1.400 (3)
O103—C110 1.442 (3) C16—H16 0.9500
O2—C7 1.204 (3) C16—C15 1.389 (4)
O1—C7 1.331 (3) C112—H112 0.9500
O1—C8 1.446 (3) C112—C113 1.385 (3)
O3—C9 1.329 (3) C130—H130 0.9500
O3—C10 1.451 (3) C130—C131 1.396 (4)
O102—C107 1.196 (3) C28—H28 0.9500
O104—C109 1.206 (3) C28—C27 1.382 (4)
C9—C2 1.537 (3) C124—H124 0.9500
C123—C105 1.493 (3) C124—C125 1.388 (4)
C123—C124 1.395 (3) C113—H113 0.9500
C123—C128 1.383 (3) C113—C114 1.380 (4)
C29—C6 1.489 (3) C119—H119 0.9500
C29—C34 1.390 (3) C119—C118 1.389 (3)
C29—C30 1.396 (3) C119—C120 1.384 (5)
C7—C1 1.524 (3) C19—H19 0.9500
C4—C3 1.349 (3) C19—C20 1.381 (4)
C4—C5 1.491 (3) C131—H131 0.9500
C4—C17 1.496 (3) C131—C132 1.381 (5)
C3—C2 1.529 (3) C15—H15 0.9500
C3—C11 1.492 (3) C15—C14 1.388 (4)
C23—C5 1.494 (3) C118—H118 0.9500
C23—C24 1.390 (3) C120—H120 0.9500
C23—C28 1.393 (3) C120—C121 1.376 (4)
C109—C102 1.529 (3) C31—H31 0.9500
C101—H101 0.99 (3) C31—C32 1.375 (5)
C101—C107 1.514 (3) C114—H114 0.9500
C101—C106 1.527 (3) C114—C115 1.381 (4)
C101—C102 1.536 (3) C116—H116 0.9500
C104—C105 1.493 (3) C116—C115 1.390 (4)
C104—C103 1.356 (3) C25—H25 0.9500
C104—C117 1.497 (3) C25—C26 1.378 (5)
C105—C106 1.346 (3) C27—H27 0.9500
C5—C6 1.348 (3) C27—C26 1.374 (5)
C106—C129 1.490 (3) C121—H121 0.9500
C102—H102 0.96 (3) C121—C122 1.386 (4)
C102—C103 1.533 (3) C8—H8A 0.9800
C2—H2 0.98 (3) C8—H8B 0.9800
C2—C1 1.539 (3) C8—H8C 0.9800
C6—C1 1.530 (3) C122—H122 0.9500
C129—C134 1.391 (3) C128—H128 0.9500
C129—C130 1.392 (3) C128—C127 1.394 (4)
C11—C12 1.394 (3) C13—H13 0.9500
C11—C16 1.393 (3) C13—C14 1.376 (4)
C21—H21 0.9500 C20—H20 0.9500
C21—C22 1.391 (4) C132—H132 0.9500
C21—C20 1.383 (4) C26—H26 0.9500
C34—H34 0.9500 C14—H14 0.9500
C34—C33 1.388 (3) C33—H33 0.9500
C18—H18 0.9500 C33—C32 1.376 (4)
C18—C17 1.397 (3) C32—H32 0.9500
C18—C19 1.391 (3) C110—H11A 0.9800
C103—C111 1.489 (3) C110—H11B 0.9800
C111—C112 1.398 (3) C110—H11C 0.9800
C111—C116 1.396 (3) C10—H10A 0.9800
C30—H30 0.9500 C10—H10B 0.9800
C30—C31 1.393 (4) C10—H10C 0.9800
C134—H134 0.9500 C126—H126 0.9500
C134—C133 1.392 (3) C126—C127 1.368 (6)
C1—H1 0.98 (3) C126—C125 1.373 (6)
C17—C22 1.392 (3) C127—H127 0.9500
C24—H24 0.9500 C115—H115 0.9500
C24—C25 1.389 (4) C108—H10D 0.9800
C22—H22 0.9500 C108—H10E 0.9800
C12—H12 0.9500 C108—H10F 0.9800
C12—C13 1.392 (3) C125—H125 0.9500
C107—O101—C108 115.4 (2) C15—C16—C11 120.6 (2)
C109—O103—C110 115.50 (19) C15—C16—H16 119.7
C7—O1—C8 115.0 (2) C111—C112—H112 119.5
C9—O3—C10 114.9 (2) C113—C112—C111 120.9 (2)
O4—C9—O3 124.1 (2) C113—C112—H112 119.5
O4—C9—C2 123.3 (2) C129—C130—H130 119.9
O3—C9—C2 112.58 (18) C129—C130—C131 120.2 (2)
C124—C123—C105 121.3 (2) C131—C130—H130 119.9
C128—C123—C105 120.1 (2) C23—C28—H28 119.5
C128—C123—C124 118.6 (2) C27—C28—C23 120.9 (3)
C34—C29—C6 120.32 (19) C27—C28—H28 119.5
C34—C29—C30 118.8 (2) C123—C124—H124 120.0
C30—C29—C6 120.9 (2) C125—C124—C123 120.0 (3)
O2—C7—O1 123.8 (2) C125—C124—H124 120.0
O2—C7—C1 124.2 (2) C112—C113—H113 119.7
O1—C7—C1 112.05 (18) C114—C113—C112 120.6 (2)
C3—C4—C5 120.32 (19) C114—C113—H113 119.7
C3—C4—C17 122.02 (19) C118—C119—H119 119.9
C5—C4—C17 117.58 (18) C120—C119—H119 119.9
C4—C3—C2 119.78 (18) C120—C119—C118 120.1 (3)
C4—C3—C11 124.55 (19) C18—C19—H19 120.0
C11—C3—C2 115.66 (18) C20—C19—C18 120.0 (3)
C24—C23—C5 122.0 (2) C20—C19—H19 120.0
C24—C23—C28 118.4 (2) C130—C131—H131 120.0
C28—C23—C5 119.6 (2) C132—C131—C130 120.0 (3)
O103—C109—C102 112.96 (17) C132—C131—H131 120.0
O104—C109—O103 123.5 (2) C16—C15—H15 119.8
O104—C109—C102 123.5 (2) C14—C15—C16 120.4 (3)
C107—C101—H101 106.2 (15) C14—C15—H15 119.8
C107—C101—C106 112.23 (17) C117—C118—H118 119.6
C107—C101—C102 110.49 (17) C119—C118—C117 120.8 (2)
C106—C101—H101 109.1 (15) C119—C118—H118 119.6
C106—C101—C102 111.29 (17) C119—C120—H120 120.2
C102—C101—H101 107.2 (16) C121—C120—C119 119.7 (2)
C105—C104—C117 117.26 (18) C121—C120—H120 120.2
C103—C104—C105 120.32 (18) C30—C31—H31 120.0
C103—C104—C117 122.36 (19) C32—C31—C30 120.0 (3)
C104—C105—C123 118.82 (18) C32—C31—H31 120.0
C106—C105—C123 120.74 (18) C113—C114—H114 120.4
C106—C105—C104 120.42 (18) C113—C114—C115 119.2 (2)
O101—C107—C101 110.97 (18) C115—C114—H114 120.4
O102—C107—O101 123.7 (2) C111—C116—H116 119.8
O102—C107—C101 125.4 (2) C115—C116—C111 120.5 (2)
C4—C5—C23 118.71 (18) C115—C116—H116 119.8
C6—C5—C4 120.79 (19) C24—C25—H25 119.7
C6—C5—C23 120.48 (18) C26—C25—C24 120.6 (3)
C105—C106—C101 118.93 (18) C26—C25—H25 119.7
C105—C106—C129 121.73 (18) C28—C27—H27 119.9
C129—C106—C101 119.31 (17) C26—C27—C28 120.3 (3)
C109—C102—C101 114.49 (17) C26—C27—H27 119.9
C109—C102—H102 103.6 (16) C120—C121—H121 119.6
C109—C102—C103 111.72 (17) C120—C121—C122 120.7 (3)
C101—C102—H102 108.5 (16) C122—C121—H121 119.6
C103—C102—C101 109.15 (17) O1—C8—H8A 109.5
C103—C102—H102 109.1 (16) O1—C8—H8B 109.5
C9—C2—H2 103.9 (16) O1—C8—H8C 109.5
C9—C2—C1 113.86 (16) H8A—C8—H8B 109.5
C3—C2—C9 111.29 (17) H8A—C8—H8C 109.5
C3—C2—H2 108.7 (16) H8B—C8—H8C 109.5
C3—C2—C1 109.97 (17) C117—C122—H122 119.8
C1—C2—H2 108.8 (16) C121—C122—C117 120.4 (2)
C29—C6—C1 118.19 (17) C121—C122—H122 119.8
C5—C6—C29 122.85 (18) C123—C128—H128 119.7
C5—C6—C1 118.93 (18) C123—C128—C127 120.6 (3)
C134—C129—C106 119.5 (2) C127—C128—H128 119.7
C134—C129—C130 118.7 (2) C12—C13—H13 119.9
C130—C129—C106 121.7 (2) C14—C13—C12 120.3 (2)
C12—C11—C3 120.1 (2) C14—C13—H13 119.9
C16—C11—C3 121.59 (19) C21—C20—H20 120.0
C16—C11—C12 118.3 (2) C19—C20—C21 120.0 (2)
C22—C21—H21 120.0 C19—C20—H20 120.0
C20—C21—H21 120.0 C133—C132—C131 120.2 (2)
C20—C21—C22 120.0 (3) C133—C132—H132 119.9
C29—C34—H34 119.9 C131—C132—H132 119.9
C33—C34—C29 120.2 (2) C25—C26—H26 120.2
C33—C34—H34 119.9 C27—C26—C25 119.6 (2)
C17—C18—H18 119.6 C27—C26—H26 120.2
C19—C18—H18 119.6 C15—C14—H14 120.3
C19—C18—C17 120.8 (2) C13—C14—C15 119.5 (2)
C104—C103—C102 119.08 (18) C13—C14—H14 120.3
C104—C103—C111 124.94 (19) C34—C33—H33 119.7
C111—C103—C102 115.87 (18) C32—C33—C34 120.6 (2)
C112—C111—C103 120.8 (2) C32—C33—H33 119.7
C116—C111—C103 120.99 (19) C31—C32—C33 120.0 (2)
C116—C111—C112 118.0 (2) C31—C32—H32 120.0
C29—C30—H30 119.8 C33—C32—H32 120.0
C31—C30—C29 120.4 (2) O103—C110—H11A 109.5
C31—C30—H30 119.8 O103—C110—H11B 109.5
C129—C134—H134 119.8 O103—C110—H11C 109.5
C129—C134—C133 120.5 (2) H11A—C110—H11B 109.5
C133—C134—H134 119.8 H11A—C110—H11C 109.5
C7—C1—C2 110.82 (17) H11B—C110—H11C 109.5
C7—C1—C6 110.29 (16) O3—C10—H10A 109.5
C7—C1—H1 107.3 (16) O3—C10—H10B 109.5
C2—C1—H1 107.5 (16) O3—C10—H10C 109.5
C6—C1—C2 111.88 (17) H10A—C10—H10B 109.5
C6—C1—H1 108.9 (16) H10A—C10—H10C 109.5
C18—C17—C4 121.7 (2) H10B—C10—H10C 109.5
C22—C17—C4 119.9 (2) C127—C126—H126 120.2
C22—C17—C18 118.3 (2) C127—C126—C125 119.6 (3)
C23—C24—H24 119.9 C125—C126—H126 120.2
C25—C24—C23 120.2 (3) C128—C127—H127 119.8
C25—C24—H24 119.9 C126—C127—C128 120.4 (3)
C21—C22—C17 120.8 (3) C126—C127—H127 119.8
C21—C22—H22 119.6 C114—C115—C116 120.8 (2)
C17—C22—H22 119.6 C114—C115—H115 119.6
C11—C12—H12 119.6 C116—C115—H115 119.6
C13—C12—C11 120.9 (2) O101—C108—H10D 109.5
C13—C12—H12 119.6 O101—C108—H10E 109.5
C134—C133—H133 119.9 O101—C108—H10F 109.5
C132—C133—C134 120.3 (3) H10D—C108—H10E 109.5
C132—C133—H133 119.9 H10D—C108—H10F 109.5
C118—C117—C104 121.9 (2) H10E—C108—H10F 109.5
C118—C117—C122 118.2 (2) C124—C125—H125 119.6
C122—C117—C104 119.8 (2) C126—C125—C124 120.8 (3)
C11—C16—H16 119.7 C126—C125—H125 119.6
O4—C9—C2—C3 112.9 (2) C102—C103—C111—C116 −42.2 (3)
O4—C9—C2—C1 −122.1 (2) C2—C3—C11—C12 −129.8 (2)
O103—C109—C102—C101 −52.7 (2) C2—C3—C11—C16 47.6 (3)
O103—C109—C102—C103 72.0 (2) C6—C29—C34—C33 −179.7 (2)
O2—C7—C1—C2 −44.6 (3) C6—C29—C30—C31 179.8 (2)
O2—C7—C1—C6 79.8 (3) C129—C134—C133—C132 0.0 (4)
O1—C7—C1—C2 136.50 (18) C129—C130—C131—C132 −1.1 (4)
O1—C7—C1—C6 −99.1 (2) C11—C3—C2—C9 −89.4 (2)
O3—C9—C2—C3 −64.5 (2) C11—C3—C2—C1 143.46 (19)
O3—C9—C2—C1 60.5 (2) C11—C12—C13—C14 −0.3 (4)
O104—C109—C102—C101 129.4 (2) C11—C16—C15—C14 0.5 (4)
O104—C109—C102—C103 −105.9 (2) C34—C29—C6—C5 59.7 (3)
C9—C2—C1—C7 46.1 (2) C34—C29—C6—C1 −118.4 (2)
C9—C2—C1—C6 −77.4 (2) C34—C29—C30—C31 −1.3 (3)
C123—C105—C106—C101 −179.44 (18) C34—C33—C32—C31 −1.0 (4)
C123—C105—C106—C129 −1.4 (3) C18—C17—C22—C21 0.2 (3)
C123—C124—C125—C126 0.6 (4) C18—C19—C20—C21 0.1 (4)
C123—C128—C127—C126 −0.5 (4) C103—C104—C105—C123 163.0 (2)
C29—C6—C1—C7 21.4 (3) C103—C104—C105—C106 −15.3 (3)
C29—C6—C1—C2 145.28 (18) C103—C104—C117—C118 132.3 (2)
C29—C34—C33—C32 −0.2 (4) C103—C104—C117—C122 −51.8 (3)
C29—C30—C31—C32 0.2 (4) C103—C111—C112—C113 −174.8 (2)
C4—C3—C2—C9 91.4 (2) C103—C111—C116—C115 175.3 (3)
C4—C3—C2—C1 −35.7 (3) C111—C112—C113—C114 0.3 (4)
C4—C3—C11—C12 49.4 (3) C111—C116—C115—C114 −1.2 (5)
C4—C3—C11—C16 −133.2 (3) C30—C29—C6—C5 −121.4 (2)
C4—C5—C6—C29 −177.45 (19) C30—C29—C6—C1 60.5 (3)
C4—C5—C6—C1 0.7 (3) C30—C29—C34—C33 1.4 (3)
C4—C17—C22—C21 176.8 (2) C30—C31—C32—C33 1.0 (4)
C3—C4—C5—C23 −163.1 (2) C134—C129—C130—C131 1.7 (3)
C3—C4—C5—C6 15.2 (3) C134—C133—C132—C131 0.6 (4)
C3—C4—C17—C18 −132.3 (2) C17—C4—C3—C2 −172.26 (19)
C3—C4—C17—C22 51.2 (3) C17—C4—C3—C11 8.6 (3)
C3—C2—C1—C7 171.79 (17) C17—C4—C5—C23 13.6 (3)
C3—C2—C1—C6 48.2 (2) C17—C4—C5—C6 −168.1 (2)
C3—C11—C12—C13 178.3 (2) C17—C18—C19—C20 0.4 (3)
C3—C11—C16—C15 −178.3 (2) C24—C23—C5—C4 −122.2 (2)
C23—C5—C6—C29 0.8 (3) C24—C23—C5—C6 59.5 (3)
C23—C5—C6—C1 178.93 (18) C24—C23—C28—C27 −0.3 (3)
C23—C24—C25—C26 −0.9 (4) C24—C25—C26—C27 0.5 (4)
C23—C28—C27—C26 −0.1 (4) C22—C21—C20—C19 −0.5 (4)
C109—C102—C103—C104 −89.5 (2) C12—C11—C16—C15 −0.9 (4)
C109—C102—C103—C111 94.1 (2) C12—C13—C14—C15 −0.1 (4)
C101—C106—C129—C134 115.8 (2) C117—C104—C105—C123 −14.3 (3)
C101—C106—C129—C130 −64.9 (3) C117—C104—C105—C106 167.5 (2)
C101—C102—C103—C104 38.2 (3) C117—C104—C103—C102 171.84 (19)
C101—C102—C103—C111 −138.24 (19) C117—C104—C103—C111 −12.1 (3)
C104—C105—C106—C101 −1.3 (3) C16—C11—C12—C13 0.8 (4)
C104—C105—C106—C129 176.77 (18) C16—C15—C14—C13 0.1 (4)
C104—C103—C111—C112 −43.7 (3) C112—C111—C116—C115 0.5 (4)
C104—C103—C111—C116 141.7 (2) C112—C113—C114—C115 −1.0 (4)
C104—C117—C118—C119 176.6 (2) C130—C129—C134—C133 −1.2 (3)
C104—C117—C122—C121 −175.8 (2) C130—C131—C132—C133 −0.1 (4)
C105—C123—C124—C125 177.7 (2) C28—C23—C5—C4 58.8 (3)
C105—C123—C128—C127 −177.8 (2) C28—C23—C5—C6 −119.5 (2)
C105—C104—C103—C102 −5.2 (3) C28—C23—C24—C25 0.8 (3)
C105—C104—C103—C111 170.81 (19) C28—C27—C26—C25 0.0 (4)
C105—C104—C117—C118 −50.5 (3) C124—C123—C105—C104 122.2 (2)
C105—C104—C117—C122 125.3 (2) C124—C123—C105—C106 −59.6 (3)
C105—C106—C129—C134 −62.2 (3) C124—C123—C128—C127 0.7 (3)
C105—C106—C129—C130 117.1 (2) C113—C114—C115—C116 1.4 (5)
C107—C101—C106—C105 159.64 (19) C119—C120—C121—C122 0.2 (4)
C107—C101—C106—C129 −18.4 (3) C19—C18—C17—C4 −177.1 (2)
C107—C101—C102—C109 −50.6 (2) C19—C18—C17—C22 −0.6 (3)
C107—C101—C102—C103 −176.70 (17) C118—C117—C122—C121 0.2 (3)
C5—C4—C3—C2 4.3 (3) C118—C119—C120—C121 0.7 (4)
C5—C4—C3—C11 −174.8 (2) C120—C119—C118—C117 −1.2 (4)
C5—C4—C17—C18 51.0 (3) C120—C121—C122—C117 −0.6 (4)
C5—C4—C17—C22 −125.4 (2) C116—C111—C112—C113 −0.1 (3)
C5—C23—C24—C25 −178.2 (2) C8—O1—C7—O2 −7.3 (3)
C5—C23—C28—C27 178.7 (2) C8—O1—C7—C1 171.6 (2)
C5—C6—C1—C7 −156.78 (19) C122—C117—C118—C119 0.7 (3)
C5—C6—C1—C2 −32.9 (3) C128—C123—C105—C104 −59.4 (3)
C106—C101—C107—O101 91.5 (2) C128—C123—C105—C106 118.9 (2)
C106—C101—C107—O102 −87.5 (3) C128—C123—C124—C125 −0.7 (3)
C106—C101—C102—C109 74.7 (2) C20—C21—C22—C17 0.4 (4)
C106—C101—C102—C103 −51.3 (2) C110—O103—C109—O104 −7.8 (3)
C106—C129—C134—C133 178.2 (2) C110—O103—C109—C102 174.3 (2)
C106—C129—C130—C131 −177.7 (2) C10—O3—C9—O4 9.6 (3)
C102—C101—C107—O101 −143.65 (18) C10—O3—C9—C2 −173.1 (2)
C102—C101—C107—O102 37.3 (3) C127—C126—C125—C124 −0.4 (4)
C102—C101—C106—C105 35.2 (3) C108—O101—C107—O102 5.3 (3)
C102—C101—C106—C129 −142.85 (18) C108—O101—C107—C101 −173.7 (2)
C102—C103—C111—C112 132.4 (2) C125—C126—C127—C128 0.3 (4)