S1—C8 | 1.8200 (16) | C9—H9 | 0.9900 |
S1—S2 | 2.0434 (6) | C10—C11 | 1.510 (2) |
S2—C9 | 1.8211 (15) | C10—H10 | 0.9900 |
O1—C2 | 1.3408 (17) | C10—H11 | 0.9900 |
O1—C1 | 1.4599 (18) | C11—C12 | 1.325 (2) |
O2—C2 | 1.2003 (19) | C11—H12 | 0.9500 |
O3—C4 | 1.2311 (19) | C12—H13 | 0.9500 |
O4—C6 | 1.2208 (19) | C13—C14 | 1.518 (2) |
O5—C14 | 1.2331 (19) | C13—H14 | 0.9900 |
O6—C16 | 1.2277 (19) | C13—H15 | 0.9900 |
N1—C4 | 1.340 (2) | C15—C16 | 1.534 (2) |
N1—C3 | 1.4580 (18) | C15—C22 | 1.542 (2) |
N1—H3 | 0.84 (2) | C15—H17 | 1.0000 |
N2—C6 | 1.359 (2) | C17—C19 | 1.519 (2) |
N2—C5 | 1.413 (2) | C17—C18 | 1.529 (2) |
N2—H4 | 0.82 (2) | C17—H19 | 1.0000 |
N3—C14 | 1.344 (2) | C18—H22 | 0.9800 |
N3—C15 | 1.4596 (18) | C18—H21 | 0.9800 |
N3—H16 | 0.87 (2) | C18—H20 | 0.9800 |
N4—C16 | 1.342 (2) | C19—H24 | 0.9800 |
N4—C7 | 1.455 (2) | C19—H25 | 0.9800 |
N4—H18 | 0.76 (2) | C19—H23 | 0.9800 |
C1—C12 | 1.505 (2) | C20—C21 | 1.496 (2) |
C1—C13 | 1.537 (2) | C20—H26 | 0.9500 |
C1—H1 | 1.0000 | C21—H27 | 0.9800 |
C2—C3 | 1.525 (2) | C21—H29 | 0.9800 |
C3—C17 | 1.543 (2) | C21—H28 | 0.9800 |
C3—H2 | 1.0000 | C22—C23 | 1.527 (2) |
C4—C5 | 1.509 (2) | C22—C24 | 1.528 (2) |
C5—C20 | 1.330 (2) | C22—H30 | 1.0000 |
C6—C7 | 1.540 (2) | C23—H31 | 0.9800 |
C7—C8 | 1.522 (2) | C23—H32 | 0.9800 |
C7—H5A | 1.0000 | C23—H33 | 0.9800 |
C8—H6 | 0.9900 | C24—H35 | 0.9800 |
C8—H7 | 0.9900 | C24—H34 | 0.9800 |
C9—C10 | 1.525 (2) | C24—H36 | 0.9800 |
C9—H8 | 0.9900 | ||
C8—S1—S2 | 106.04 (5) | C11—C12—C1 | 125.93 (15) |
C9—S2—S1 | 103.94 (6) | C11—C12—H13 | 117.0 |
C2—O1—C1 | 115.81 (12) | C1—C12—H13 | 117.0 |
C4—N1—C3 | 121.41 (13) | C14—C13—C1 | 112.39 (13) |
C4—N1—H3 | 120.8 (13) | C14—C13—H14 | 109.1 |
C3—N1—H3 | 117.6 (13) | C1—C13—H14 | 109.1 |
C6—N2—C5 | 120.32 (13) | C14—C13—H15 | 109.1 |
C6—N2—H4 | 118.8 (14) | C1—C13—H15 | 109.1 |
C5—N2—H4 | 120.4 (14) | H14—C13—H15 | 107.9 |
C14—N3—C15 | 119.16 (13) | O5—C14—N3 | 121.37 (13) |
C14—N3—H16 | 122.0 (13) | O5—C14—C13 | 121.48 (13) |
C15—N3—H16 | 118.8 (13) | N3—C14—C13 | 117.09 (13) |
C16—N4—C7 | 123.97 (13) | N3—C15—C16 | 110.61 (12) |
C16—N4—H18 | 117.8 (15) | N3—C15—C22 | 110.05 (12) |
C7—N4—H18 | 118.2 (15) | C16—C15—C22 | 113.98 (12) |
O1—C1—C12 | 105.19 (12) | N3—C15—H17 | 107.3 |
O1—C1—C13 | 109.24 (12) | C16—C15—H17 | 107.3 |
C12—C1—C13 | 116.69 (13) | C22—C15—H17 | 107.3 |
O1—C1—H1 | 108.5 | O6—C16—N4 | 123.09 (14) |
C12—C1—H1 | 108.5 | O6—C16—C15 | 121.31 (14) |
C13—C1—H1 | 108.5 | N4—C16—C15 | 115.59 (13) |
O2—C2—O1 | 124.40 (14) | C19—C17—C18 | 110.89 (14) |
O2—C2—C3 | 123.47 (13) | C19—C17—C3 | 113.19 (13) |
O1—C2—C3 | 112.08 (12) | C18—C17—C3 | 109.91 (13) |
N1—C3—C2 | 111.25 (12) | C19—C17—H19 | 107.5 |
N1—C3—C17 | 112.74 (12) | C18—C17—H19 | 107.5 |
C2—C3—C17 | 111.62 (13) | C3—C17—H19 | 107.5 |
N1—C3—H2 | 106.9 | C17—C18—H22 | 109.5 |
C2—C3—H2 | 106.9 | C17—C18—H21 | 109.5 |
C17—C3—H2 | 106.9 | H22—C18—H21 | 109.5 |
O3—C4—N1 | 123.36 (13) | C17—C18—H20 | 109.5 |
O3—C4—C5 | 121.16 (14) | H22—C18—H20 | 109.5 |
N1—C4—C5 | 115.42 (13) | H21—C18—H20 | 109.5 |
C20—C5—N2 | 123.37 (14) | C17—C19—H24 | 109.5 |
C20—C5—C4 | 119.61 (14) | C17—C19—H25 | 109.5 |
N2—C5—C4 | 116.99 (13) | H24—C19—H25 | 109.5 |
O4—C6—N2 | 122.62 (14) | C17—C19—H23 | 109.5 |
O4—C6—C7 | 123.05 (14) | H24—C19—H23 | 109.5 |
N2—C6—C7 | 114.33 (13) | H25—C19—H23 | 109.5 |
N4—C7—C8 | 109.81 (13) | C5—C20—C21 | 125.28 (16) |
N4—C7—C6 | 109.72 (11) | C5—C20—H26 | 117.4 |
C8—C7—C6 | 108.94 (12) | C21—C20—H26 | 117.4 |
N4—C7—H5A | 109.4 | C20—C21—H27 | 109.5 |
C8—C7—H5A | 109.4 | C20—C21—H29 | 109.5 |
C6—C7—H5A | 109.4 | H27—C21—H29 | 109.5 |
C7—C8—S1 | 116.36 (11) | C20—C21—H28 | 109.5 |
C7—C8—H6 | 108.2 | H27—C21—H28 | 109.5 |
S1—C8—H6 | 108.2 | H29—C21—H28 | 109.5 |
C7—C8—H7 | 108.2 | C23—C22—C24 | 110.22 (14) |
S1—C8—H7 | 108.2 | C23—C22—C15 | 109.06 (13) |
H6—C8—H7 | 107.4 | C24—C22—C15 | 111.79 (13) |
C10—C9—S2 | 115.36 (11) | C23—C22—H30 | 108.6 |
C10—C9—H8 | 108.4 | C24—C22—H30 | 108.6 |
S2—C9—H8 | 108.4 | C15—C22—H30 | 108.6 |
C10—C9—H9 | 108.4 | C22—C23—H31 | 109.5 |
S2—C9—H9 | 108.4 | C22—C23—H32 | 109.5 |
H8—C9—H9 | 107.5 | H31—C23—H32 | 109.5 |
C11—C10—C9 | 113.50 (13) | C22—C23—H33 | 109.5 |
C11—C10—H10 | 108.9 | H31—C23—H33 | 109.5 |
C9—C10—H10 | 108.9 | H32—C23—H33 | 109.5 |
C11—C10—H11 | 108.9 | C22—C24—H35 | 109.5 |
C9—C10—H11 | 108.9 | C22—C24—H34 | 109.5 |
H10—C10—H11 | 107.7 | H35—C24—H34 | 109.5 |
C12—C11—C10 | 125.57 (15) | C22—C24—H36 | 109.5 |
C12—C11—H12 | 117.2 | H35—C24—H36 | 109.5 |
C10—C11—H12 | 117.2 | H34—C24—H36 | 109.5 |
C8—S1—S2—C9 | −90.18 (7) | S1—S2—C9—C10 | 65.73 (12) |
C2—O1—C1—C12 | −162.59 (12) | S2—C9—C10—C11 | 59.05 (17) |
C2—O1—C1—C13 | 71.42 (15) | C9—C10—C11—C12 | −145.87 (15) |
C1—O1—C2—O2 | 12.5 (2) | C10—C11—C12—C1 | −172.08 (15) |
C1—O1—C2—C3 | −170.18 (12) | O1—C1—C12—C11 | −146.55 (14) |
C4—N1—C3—C2 | −135.83 (14) | C13—C1—C12—C11 | −25.3 (2) |
C4—N1—C3—C17 | 97.90 (17) | O1—C1—C13—C14 | 43.45 (16) |
O2—C2—C3—N1 | −155.37 (14) | C12—C1—C13—C14 | −75.63 (16) |
O1—C2—C3—N1 | 27.23 (17) | C15—N3—C14—O5 | 2.3 (2) |
O2—C2—C3—C17 | −28.5 (2) | C15—N3—C14—C13 | −175.03 (12) |
O1—C2—C3—C17 | 154.12 (12) | C1—C13—C14—O5 | −70.20 (18) |
C3—N1—C4—O3 | 0.7 (2) | C1—C13—C14—N3 | 107.10 (15) |
C3—N1—C4—C5 | −176.38 (12) | C14—N3—C15—C16 | 68.10 (16) |
C6—N2—C5—C20 | 131.38 (16) | C14—N3—C15—C22 | −165.07 (13) |
C6—N2—C5—C4 | −50.66 (19) | C7—N4—C16—O6 | −4.9 (2) |
O3—C4—C5—C20 | −46.7 (2) | C7—N4—C16—C15 | 176.20 (12) |
N1—C4—C5—C20 | 130.44 (16) | N3—C15—C16—O6 | −152.01 (13) |
O3—C4—C5—N2 | 135.23 (15) | C22—C15—C16—O6 | 83.37 (17) |
N1—C4—C5—N2 | −47.60 (18) | N3—C15—C16—N4 | 26.90 (17) |
C5—N2—C6—O4 | −3.8 (2) | C22—C15—C16—N4 | −97.72 (15) |
C5—N2—C6—C7 | 176.31 (12) | N1—C3—C17—C19 | 61.93 (18) |
C16—N4—C7—C8 | −160.22 (13) | C2—C3—C17—C19 | −64.14 (16) |
C16—N4—C7—C6 | 80.06 (16) | N1—C3—C17—C18 | −62.66 (17) |
O4—C6—C7—N4 | 114.64 (16) | C2—C3—C17—C18 | 171.27 (12) |
N2—C6—C7—N4 | −65.46 (16) | N2—C5—C20—C21 | −3.5 (3) |
O4—C6—C7—C8 | −5.61 (19) | C4—C5—C20—C21 | 178.62 (16) |
N2—C6—C7—C8 | 174.30 (12) | N3—C15—C22—C23 | 66.98 (16) |
N4—C7—C8—S1 | 68.66 (14) | C16—C15—C22—C23 | −168.10 (12) |
C6—C7—C8—S1 | −171.15 (10) | N3—C15—C22—C24 | −170.88 (13) |
S2—S1—C8—C7 | −69.44 (12) | C16—C15—C22—C24 | −45.97 (19) |