| S1—O2 | 1.4834 (12) | C11—H11B | 0.9900 |
| S1—C1 | 1.7582 (16) | C12—C13 | 1.501 (3) |
| S1—C16 | 1.7940 (18) | C12—H12A | 0.9900 |
| O1—C8 | 1.373 (2) | C12—H12B | 0.9900 |
| O1—C7 | 1.3792 (19) | C13—C14 | 1.525 (2) |
| C1—C8 | 1.355 (2) | C13—H13A | 0.9900 |
| C1—C2 | 1.447 (2) | C13—H13B | 0.9900 |
| C2—C7 | 1.391 (2) | C14—H14A | 0.9900 |
| C2—C3 | 1.397 (2) | C14—H14B | 0.9900 |
| C3—C4 | 1.394 (2) | C15—H15A | 0.9800 |
| C3—H3 | 0.9500 | C15—H15B | 0.9800 |
| C4—C5 | 1.403 (2) | C15—H15C | 0.9800 |
| C4—C9 | 1.515 (2) | C16—C21 | 1.384 (2) |
| C5—C6 | 1.386 (2) | C16—C17 | 1.389 (2) |
| C5—H5 | 0.9500 | C17—C18 | 1.378 (3) |
| C6—C7 | 1.378 (2) | C17—H17 | 0.9500 |
| C6—H6 | 0.9500 | C18—C19 | 1.393 (3) |
| C8—C15 | 1.482 (2) | C18—H18 | 0.9500 |
| C9—C10 | 1.521 (2) | C19—C20 | 1.391 (3) |
| C9—C14 | 1.526 (2) | C19—C22 | 1.510 (3) |
| C9—H9 | 1.0000 | C20—C21 | 1.383 (3) |
| C10—C11 | 1.528 (2) | C20—H20 | 0.9500 |
| C10—H10A | 0.9900 | C21—H21 | 0.9500 |
| C10—H10B | 0.9900 | C22—H22A | 0.9800 |
| C11—C12 | 1.516 (3) | C22—H22B | 0.9800 |
| C11—H11A | 0.9900 | C22—H22C | 0.9800 |
| O2—S1—C1 | 107.26 (7) | C13—C12—H12A | 109.4 |
| O2—S1—C16 | 107.48 (8) | C11—C12—H12A | 109.4 |
| C1—S1—C16 | 97.46 (7) | C13—C12—H12B | 109.4 |
| C8—O1—C7 | 106.50 (12) | C11—C12—H12B | 109.4 |
| C8—C1—C2 | 107.63 (14) | H12A—C12—H12B | 108.0 |
| C8—C1—S1 | 123.82 (12) | C12—C13—C14 | 111.56 (15) |
| C2—C1—S1 | 128.54 (11) | C12—C13—H13A | 109.3 |
| C7—C2—C3 | 119.37 (14) | C14—C13—H13A | 109.3 |
| C7—C2—C1 | 104.43 (13) | C12—C13—H13B | 109.3 |
| C3—C2—C1 | 136.19 (15) | C14—C13—H13B | 109.3 |
| C4—C3—C2 | 118.92 (14) | H13A—C13—H13B | 108.0 |
| C4—C3—H3 | 120.5 | C13—C14—C9 | 112.06 (15) |
| C2—C3—H3 | 120.5 | C13—C14—H14A | 109.2 |
| C3—C4—C5 | 119.37 (15) | C9—C14—H14A | 109.2 |
| C3—C4—C9 | 121.06 (14) | C13—C14—H14B | 109.2 |
| C5—C4—C9 | 119.57 (14) | C9—C14—H14B | 109.2 |
| C6—C5—C4 | 122.67 (16) | H14A—C14—H14B | 107.9 |
| C6—C5—H5 | 118.7 | C8—C15—H15A | 109.5 |
| C4—C5—H5 | 118.7 | C8—C15—H15B | 109.5 |
| C7—C6—C5 | 116.24 (15) | H15A—C15—H15B | 109.5 |
| C7—C6—H6 | 121.9 | C8—C15—H15C | 109.5 |
| C5—C6—H6 | 121.9 | H15A—C15—H15C | 109.5 |
| C6—C7—O1 | 125.79 (14) | H15B—C15—H15C | 109.5 |
| C6—C7—C2 | 123.42 (15) | C21—C16—C17 | 120.55 (16) |
| O1—C7—C2 | 110.78 (14) | C21—C16—S1 | 121.67 (12) |
| C1—C8—O1 | 110.65 (13) | C17—C16—S1 | 117.76 (13) |
| C1—C8—C15 | 133.23 (17) | C18—C17—C16 | 119.32 (16) |
| O1—C8—C15 | 116.11 (14) | C18—C17—H17 | 120.3 |
| C4—C9—C10 | 112.70 (13) | C16—C17—H17 | 120.3 |
| C4—C9—C14 | 112.02 (13) | C17—C18—C19 | 121.36 (16) |
| C10—C9—C14 | 109.74 (15) | C17—C18—H18 | 119.3 |
| C4—C9—H9 | 107.4 | C19—C18—H18 | 119.3 |
| C10—C9—H9 | 107.4 | C20—C19—C18 | 118.16 (18) |
| C14—C9—H9 | 107.4 | C20—C19—C22 | 120.8 (2) |
| C9—C10—C11 | 111.72 (15) | C18—C19—C22 | 121.02 (18) |
| C9—C10—H10A | 109.3 | C21—C20—C19 | 121.29 (17) |
| C11—C10—H10A | 109.3 | C21—C20—H20 | 119.4 |
| C9—C10—H10B | 109.3 | C19—C20—H20 | 119.4 |
| C11—C10—H10B | 109.3 | C20—C21—C16 | 119.31 (15) |
| H10A—C10—H10B | 107.9 | C20—C21—H21 | 120.3 |
| C12—C11—C10 | 111.32 (17) | C16—C21—H21 | 120.3 |
| C12—C11—H11A | 109.4 | C19—C22—H22A | 109.5 |
| C10—C11—H11A | 109.4 | C19—C22—H22B | 109.5 |
| C12—C11—H11B | 109.4 | H22A—C22—H22B | 109.5 |
| C10—C11—H11B | 109.4 | C19—C22—H22C | 109.5 |
| H11A—C11—H11B | 108.0 | H22A—C22—H22C | 109.5 |
| C13—C12—C11 | 111.39 (17) | H22B—C22—H22C | 109.5 |
| O2—S1—C1—C8 | −146.67 (14) | C7—O1—C8—C15 | −179.73 (13) |
| C16—S1—C1—C8 | 102.36 (14) | C3—C4—C9—C10 | 60.1 (2) |
| O2—S1—C1—C2 | 33.43 (16) | C5—C4—C9—C10 | −120.06 (18) |
| C16—S1—C1—C2 | −77.54 (14) | C3—C4—C9—C14 | −64.24 (19) |
| C8—C1—C2—C7 | −0.07 (16) | C5—C4—C9—C14 | 115.60 (17) |
| S1—C1—C2—C7 | 179.84 (12) | C4—C9—C10—C11 | 179.09 (17) |
| C8—C1—C2—C3 | 179.21 (16) | C14—C9—C10—C11 | −55.3 (2) |
| S1—C1—C2—C3 | −0.9 (3) | C9—C10—C11—C12 | 55.9 (3) |
| C7—C2—C3—C4 | −0.4 (2) | C10—C11—C12—C13 | −55.0 (2) |
| C1—C2—C3—C4 | −179.61 (16) | C11—C12—C13—C14 | 54.7 (2) |
| C2—C3—C4—C5 | −0.2 (2) | C12—C13—C14—C9 | −55.4 (2) |
| C2—C3—C4—C9 | 179.61 (13) | C4—C9—C14—C13 | −178.94 (15) |
| C3—C4—C5—C6 | 0.4 (2) | C10—C9—C14—C13 | 55.1 (2) |
| C9—C4—C5—C6 | −179.46 (15) | O2—S1—C16—C21 | −21.67 (17) |
| C4—C5—C6—C7 | 0.1 (3) | C1—S1—C16—C21 | 89.13 (15) |
| C5—C6—C7—O1 | −179.92 (14) | O2—S1—C16—C17 | 156.54 (13) |
| C5—C6—C7—C2 | −0.8 (2) | C1—S1—C16—C17 | −92.67 (14) |
| C8—O1—C7—C6 | 179.88 (15) | C21—C16—C17—C18 | −1.0 (3) |
| C8—O1—C7—C2 | 0.67 (16) | S1—C16—C17—C18 | −179.22 (13) |
| C3—C2—C7—C6 | 1.0 (2) | C16—C17—C18—C19 | 1.2 (3) |
| C1—C2—C7—C6 | −179.60 (15) | C17—C18—C19—C20 | −0.8 (3) |
| C3—C2—C7—O1 | −179.80 (12) | C17—C18—C19—C22 | 178.7 (2) |
| C1—C2—C7—O1 | −0.37 (16) | C18—C19—C20—C21 | 0.2 (3) |
| C2—C1—C8—O1 | 0.49 (17) | C22—C19—C20—C21 | −179.3 (2) |
| S1—C1—C8—O1 | −179.43 (10) | C19—C20—C21—C16 | 0.0 (3) |
| C2—C1—C8—C15 | 179.27 (16) | C17—C16—C21—C20 | 0.4 (3) |
| S1—C1—C8—C15 | −0.6 (3) | S1—C16—C21—C20 | 178.54 (14) |
| C7—O1—C8—C1 | −0.72 (16) |