| S1—O1 | 1.4314 (9) | C10—H10 | 0.9500 |
| S1—O2 | 1.4338 (10) | C11—C12 | 1.3877 (18) |
| S1—N8 | 1.6359 (10) | C11—H11 | 0.9500 |
| S1—C18 | 1.7642 (13) | C12—C12A | 1.4034 (16) |
| F1—C24 | 1.3434 (17) | C12—H12 | 0.9500 |
| F2—C24 | 1.334 (2) | C12A—C12B | 1.4819 (17) |
| F3—C24 | 1.343 (2) | C12B—C12C | 1.3816 (16) |
| C1—C2 | 1.3857 (18) | C13—H13A | 0.9800 |
| C1—C12B | 1.4129 (17) | C13—H13B | 0.9800 |
| C1—H1 | 0.9500 | C13—H13C | 0.9800 |
| C2—C3 | 1.4096 (18) | C13'—H13D | 0.9800 |
| C2—H2 | 0.9500 | C13'—H13E | 0.9800 |
| C3—C3A | 1.3805 (17) | C13'—H13F | 0.9800 |
| C3—C13' | 1.507 (10) | C14—O14 | 1.2022 (18) |
| C3—C13 | 1.509 (9) | C14—O15 | 1.3400 (17) |
| C3A—C12C | 1.4001 (17) | O15—C15 | 1.4562 (15) |
| C3A—C4 | 1.5340 (17) | C15—H15A | 0.9800 |
| C4—O13 | 1.4439 (15) | C15—H15B | 0.9800 |
| C4—C5 | 1.5411 (17) | C15—H15C | 0.9800 |
| C4—H4 | 1.0000 | C16—O16 | 1.2045 (16) |
| C5—C6 | 1.3416 (18) | C16—O17 | 1.3452 (15) |
| C5—C14 | 1.4820 (17) | O17—C17 | 1.4378 (15) |
| C6—C16 | 1.4795 (17) | C17—H17A | 0.9800 |
| C6—C6A | 1.5517 (16) | C17—H17B | 0.9800 |
| C6A—O13 | 1.4466 (13) | C17—H17C | 0.9800 |
| C6A—C7 | 1.5198 (16) | C18—C19 | 1.3876 (17) |
| C6A—C12C | 1.5358 (16) | C18—C23 | 1.3899 (18) |
| C7—N8 | 1.4680 (15) | C19—C20 | 1.390 (2) |
| C7—H7A | 0.9900 | C19—H19 | 0.9500 |
| C7—H7B | 0.9900 | C20—C21 | 1.393 (2) |
| N8—C8A | 1.4405 (15) | C20—H20 | 0.9500 |
| C8A—C9 | 1.3928 (17) | C21—C22 | 1.391 (2) |
| C8A—C12A | 1.4031 (17) | C21—C24 | 1.4961 (19) |
| C9—C10 | 1.3877 (18) | C22—C23 | 1.3854 (19) |
| C9—H9 | 0.9500 | C22—H22 | 0.9500 |
| C10—C11 | 1.3910 (19) | C23—H23 | 0.9500 |
| O1—S1—O2 | 121.06 (6) | C12—C12A—C12B | 119.67 (11) |
| O1—S1—N8 | 106.49 (6) | C12C—C12B—C1 | 115.67 (11) |
| O2—S1—N8 | 107.06 (5) | C12C—C12B—C12A | 123.09 (11) |
| O1—S1—C18 | 108.27 (6) | C1—C12B—C12A | 121.22 (11) |
| O2—S1—C18 | 107.08 (6) | C12B—C12C—C3A | 122.41 (11) |
| N8—S1—C18 | 105.97 (5) | C12B—C12C—C6A | 132.85 (11) |
| C2—C1—C12B | 121.64 (11) | C3A—C12C—C6A | 104.66 (10) |
| C2—C1—H1 | 119.2 | C4—O13—C6A | 96.88 (8) |
| C12B—C1—H1 | 119.2 | C3—C13—H13A | 109.5 |
| C1—C2—C3 | 122.36 (11) | C3—C13—H13B | 109.5 |
| C1—C2—H2 | 118.8 | H13A—C13—H13B | 109.5 |
| C3—C2—H2 | 118.8 | C3—C13—H13C | 109.5 |
| C3A—C3—C2 | 115.46 (11) | H13A—C13—H13C | 109.5 |
| C3A—C3—C13' | 123.5 (7) | H13B—C13—H13C | 109.5 |
| C2—C3—C13' | 121.1 (7) | C3—C13'—H13D | 109.5 |
| C3A—C3—C13 | 123.0 (6) | C3—C13'—H13E | 109.5 |
| C2—C3—C13 | 121.5 (6) | H13D—C13'—H13E | 109.5 |
| C3—C3A—C12C | 122.45 (11) | C3—C13'—H13F | 109.5 |
| C3—C3A—C4 | 133.39 (11) | H13D—C13'—H13F | 109.5 |
| C12C—C3A—C4 | 104.11 (10) | H13E—C13'—H13F | 109.5 |
| O13—C4—C3A | 100.46 (9) | O14—C14—O15 | 124.85 (12) |
| O13—C4—C5 | 99.91 (10) | O14—C14—C5 | 126.04 (12) |
| C3A—C4—C5 | 105.22 (9) | O15—C14—C5 | 109.10 (11) |
| O13—C4—H4 | 116.3 | C14—O15—C15 | 115.88 (11) |
| C3A—C4—H4 | 116.3 | O15—C15—H15A | 109.5 |
| C5—C4—H4 | 116.3 | O15—C15—H15B | 109.5 |
| C6—C5—C14 | 129.68 (12) | H15A—C15—H15B | 109.5 |
| C6—C5—C4 | 105.54 (11) | O15—C15—H15C | 109.5 |
| C14—C5—C4 | 123.47 (11) | H15A—C15—H15C | 109.5 |
| C5—C6—C16 | 129.54 (11) | H15B—C15—H15C | 109.5 |
| C5—C6—C6A | 105.26 (10) | O16—C16—O17 | 124.64 (12) |
| C16—C6—C6A | 122.82 (10) | O16—C16—C6 | 127.35 (12) |
| O13—C6A—C7 | 110.59 (9) | O17—C16—C6 | 108.01 (10) |
| O13—C6A—C12C | 100.14 (9) | C16—O17—C17 | 116.09 (10) |
| C7—C6A—C12C | 119.46 (10) | O17—C17—H17A | 109.5 |
| O13—C6A—C6 | 99.57 (9) | O17—C17—H17B | 109.5 |
| C7—C6A—C6 | 119.05 (10) | H17A—C17—H17B | 109.5 |
| C12C—C6A—C6 | 104.71 (9) | O17—C17—H17C | 109.5 |
| N8—C7—C6A | 113.89 (10) | H17A—C17—H17C | 109.5 |
| N8—C7—H7A | 108.8 | H17B—C17—H17C | 109.5 |
| C6A—C7—H7A | 108.8 | C19—C18—C23 | 121.92 (12) |
| N8—C7—H7B | 108.8 | C19—C18—S1 | 119.01 (10) |
| C6A—C7—H7B | 108.8 | C23—C18—S1 | 118.95 (10) |
| H7A—C7—H7B | 107.7 | C18—C19—C20 | 119.34 (12) |
| C8A—N8—C7 | 118.49 (9) | C18—C19—H19 | 120.3 |
| C8A—N8—S1 | 119.23 (8) | C20—C19—H19 | 120.3 |
| C7—N8—S1 | 121.75 (8) | C19—C20—C21 | 118.86 (12) |
| C9—C8A—C12A | 120.98 (11) | C19—C20—H20 | 120.6 |
| C9—C8A—N8 | 117.87 (11) | C21—C20—H20 | 120.6 |
| C12A—C8A—N8 | 121.12 (10) | C22—C21—C20 | 121.45 (13) |
| C10—C9—C8A | 120.45 (12) | C22—C21—C24 | 118.61 (13) |
| C10—C9—H9 | 119.8 | C20—C21—C24 | 119.93 (13) |
| C8A—C9—H9 | 119.8 | C23—C22—C21 | 119.65 (12) |
| C9—C10—C11 | 119.40 (12) | C23—C22—H22 | 120.2 |
| C9—C10—H10 | 120.3 | C21—C22—H22 | 120.2 |
| C11—C10—H10 | 120.3 | C22—C23—C18 | 118.72 (12) |
| C12—C11—C10 | 120.20 (12) | C22—C23—H23 | 120.6 |
| C12—C11—H11 | 119.9 | C18—C23—H23 | 120.6 |
| C10—C11—H11 | 119.9 | F2—C24—F3 | 107.37 (13) |
| C11—C12—C12A | 121.37 (11) | F2—C24—F1 | 106.36 (13) |
| C11—C12—H12 | 119.3 | F3—C24—F1 | 105.22 (13) |
| C12A—C12—H12 | 119.3 | F2—C24—C21 | 112.84 (13) |
| C8A—C12A—C12 | 117.59 (11) | F3—C24—C21 | 112.32 (13) |
| C8A—C12A—C12B | 122.72 (10) | F1—C24—C21 | 112.23 (11) |
| C12B—C1—C2—C3 | −0.27 (19) | C12—C12A—C12B—C12C | 143.46 (12) |
| C1—C2—C3—C3A | 0.97 (18) | C8A—C12A—C12B—C1 | 146.80 (12) |
| C1—C2—C3—C13' | −179.4 (8) | C12—C12A—C12B—C1 | −34.76 (17) |
| C1—C2—C3—C13 | 180.0 (7) | C1—C12B—C12C—C3A | 1.32 (17) |
| C2—C3—C3A—C12C | −0.53 (17) | C12A—C12B—C12C—C3A | −176.99 (11) |
| C13'—C3—C3A—C12C | 179.9 (8) | C1—C12B—C12C—C6A | 177.79 (11) |
| C13—C3—C3A—C12C | −179.5 (7) | C12A—C12B—C12C—C6A | −0.5 (2) |
| C2—C3—C3A—C4 | −177.38 (12) | C3—C3A—C12C—C12B | −0.65 (18) |
| C13'—C3—C3A—C4 | 3.0 (8) | C4—C3A—C12C—C12B | 177.00 (11) |
| C13—C3—C3A—C4 | 3.6 (7) | C3—C3A—C12C—C6A | −177.97 (11) |
| C3—C3A—C4—O13 | −148.68 (13) | C4—C3A—C12C—C6A | −0.32 (11) |
| C12C—C3A—C4—O13 | 34.06 (11) | O13—C6A—C12C—C12B | 149.70 (12) |
| C3—C3A—C4—C5 | 107.93 (15) | C7—C6A—C12C—C12B | 28.95 (18) |
| C12C—C3A—C4—C5 | −69.34 (11) | C6—C6A—C12C—C12B | −107.51 (14) |
| O13—C4—C5—C6 | −33.53 (11) | O13—C6A—C12C—C3A | −33.39 (11) |
| C3A—C4—C5—C6 | 70.27 (12) | C7—C6A—C12C—C3A | −154.14 (10) |
| O13—C4—C5—C14 | 158.45 (10) | C6—C6A—C12C—C3A | 69.41 (11) |
| C3A—C4—C5—C14 | −97.75 (13) | C3A—C4—O13—C6A | −54.37 (10) |
| C14—C5—C6—C16 | 4.6 (2) | C5—C4—O13—C6A | 53.28 (10) |
| C4—C5—C6—C16 | −162.42 (11) | C7—C6A—O13—C4 | −179.14 (10) |
| C14—C5—C6—C6A | 167.07 (12) | C12C—C6A—O13—C4 | 53.93 (10) |
| C4—C5—C6—C6A | 0.07 (12) | C6—C6A—O13—C4 | −53.03 (10) |
| C5—C6—C6A—O13 | 33.30 (11) | C6—C5—C14—O14 | 36.1 (2) |
| C16—C6—C6A—O13 | −162.73 (10) | C4—C5—C14—O14 | −158.94 (13) |
| C5—C6—C6A—C7 | 153.40 (10) | C6—C5—C14—O15 | −144.93 (13) |
| C16—C6—C6A—C7 | −42.62 (15) | C4—C5—C14—O15 | 20.01 (16) |
| C5—C6—C6A—C12C | −69.93 (11) | O14—C14—O15—C15 | −3.06 (18) |
| C16—C6—C6A—C12C | 94.05 (12) | C5—C14—O15—C15 | 177.98 (10) |
| O13—C6A—C7—N8 | −105.16 (11) | C5—C6—C16—O16 | −44.8 (2) |
| C12C—C6A—C7—N8 | 10.18 (15) | C6A—C6—C16—O16 | 155.42 (12) |
| C6—C6A—C7—N8 | 140.52 (10) | C5—C6—C16—O17 | 135.61 (13) |
| C6A—C7—N8—C8A | −72.75 (13) | C6A—C6—C16—O17 | −24.19 (14) |
| C6A—C7—N8—S1 | 98.88 (11) | O16—C16—O17—C17 | 8.00 (17) |
| O1—S1—N8—C8A | −170.14 (9) | C6—C16—O17—C17 | −172.38 (10) |
| O2—S1—N8—C8A | −39.32 (10) | O1—S1—C18—C19 | 152.89 (10) |
| C18—S1—N8—C8A | 74.73 (10) | O2—S1—C18—C19 | 20.83 (11) |
| O1—S1—N8—C7 | 18.29 (11) | N8—S1—C18—C19 | −93.20 (11) |
| O2—S1—N8—C7 | 149.11 (9) | O1—S1—C18—C23 | −30.97 (11) |
| C18—S1—N8—C7 | −96.85 (10) | O2—S1—C18—C23 | −163.03 (10) |
| C7—N8—C8A—C9 | −107.68 (13) | N8—S1—C18—C23 | 82.94 (11) |
| S1—N8—C8A—C9 | 80.47 (13) | C23—C18—C19—C20 | −2.14 (19) |
| C7—N8—C8A—C12A | 70.01 (15) | S1—C18—C19—C20 | 173.88 (10) |
| S1—N8—C8A—C12A | −101.83 (12) | C18—C19—C20—C21 | 0.4 (2) |
| C12A—C8A—C9—C10 | −0.56 (19) | C19—C20—C21—C22 | 1.6 (2) |
| N8—C8A—C9—C10 | 177.14 (11) | C19—C20—C21—C24 | −179.74 (12) |
| C8A—C9—C10—C11 | −0.2 (2) | C20—C21—C22—C23 | −1.9 (2) |
| C9—C10—C11—C12 | 0.9 (2) | C24—C21—C22—C23 | 179.43 (12) |
| C10—C11—C12—C12A | −0.7 (2) | C21—C22—C23—C18 | 0.18 (19) |
| C9—C8A—C12A—C12 | 0.70 (17) | C19—C18—C23—C22 | 1.85 (19) |
| N8—C8A—C12A—C12 | −176.93 (10) | S1—C18—C23—C22 | −174.17 (9) |
| C9—C8A—C12A—C12B | 179.17 (11) | C22—C21—C24—F2 | −158.19 (13) |
| N8—C8A—C12A—C12B | 1.54 (17) | C20—C21—C24—F2 | 23.13 (19) |
| C11—C12—C12A—C8A | −0.05 (18) | C22—C21—C24—F3 | −36.65 (18) |
| C11—C12—C12A—C12B | −178.57 (11) | C20—C21—C24—F3 | 144.67 (14) |
| C2—C1—C12B—C12C | −0.87 (17) | C22—C21—C24—F1 | 81.66 (17) |
| C2—C1—C12B—C12A | 177.47 (11) | C20—C21—C24—F1 | −97.02 (16) |
| C8A—C12A—C12B—C12C | −34.98 (17) |