| Br1—C1 | 1.878 (4) | C9—C10 | 1.390 (4) |
| Br1A—C1 | 1.924 (9) | C10—C11 | 1.362 (4) |
| S1—O2 | 1.4435 (19) | C10—H10 | 0.9300 |
| S1—O3 | 1.445 (2) | C11—H11 | 0.9300 |
| S1—O1 | 1.4458 (19) | C12—C13 | 1.352 (4) |
| S1—C15 | 1.767 (3) | C12—H12 | 0.9300 |
| N1—C12 | 1.335 (3) | C13—H13 | 0.9300 |
| N1—C11 | 1.337 (3) | C14—H14A | 0.9600 |
| N1—C14 | 1.471 (3) | C14—H14B | 0.9600 |
| C1—C2 | 1.348 (4) | C14—H14C | 0.9600 |
| C1—C6 | 1.361 (4) | C15—C20 | 1.376 (4) |
| C2—C3 | 1.374 (4) | C15—C16 | 1.387 (3) |
| C2—H2 | 0.9300 | C16—C17 | 1.375 (4) |
| C3—C4 | 1.383 (4) | C16—H16 | 0.9300 |
| C3—H3 | 0.9300 | C17—C18 | 1.382 (4) |
| C4—C5 | 1.376 (4) | C17—H17 | 0.9300 |
| C4—C7 | 1.466 (4) | C18—C19 | 1.371 (4) |
| C5—C6 | 1.372 (4) | C18—C21 | 1.510 (5) |
| C5—H5 | 0.9300 | C19—C20 | 1.372 (4) |
| C6—H6 | 0.9300 | C19—H19 | 0.9300 |
| C7—C8 | 1.304 (4) | C20—H20 | 0.9300 |
| C7—H7 | 0.9300 | C21—H21A | 0.9600 |
| C8—C9 | 1.468 (4) | C21—H21B | 0.9600 |
| C8—H8 | 0.9300 | C21—H21C | 0.9600 |
| C9—C13 | 1.380 (4) | ||
| O2—S1—O3 | 113.31 (13) | C9—C10—H10 | 119.5 |
| O2—S1—O1 | 112.63 (12) | N1—C11—C10 | 120.5 (2) |
| O3—S1—O1 | 113.60 (13) | N1—C11—H11 | 119.8 |
| O2—S1—C15 | 105.49 (12) | C10—C11—H11 | 119.8 |
| O3—S1—C15 | 106.03 (12) | N1—C12—C13 | 120.9 (3) |
| O1—S1—C15 | 104.81 (11) | N1—C12—H12 | 119.6 |
| C12—N1—C11 | 120.1 (2) | C13—C12—H12 | 119.6 |
| C12—N1—C14 | 120.3 (2) | C12—C13—C9 | 121.5 (3) |
| C11—N1—C14 | 119.6 (2) | C12—C13—H13 | 119.2 |
| C2—C1—C6 | 120.6 (3) | C9—C13—H13 | 119.2 |
| C2—C1—Br1 | 122.0 (3) | N1—C14—H14A | 109.5 |
| C6—C1—Br1 | 117.4 (3) | N1—C14—H14B | 109.5 |
| C2—C1—Br1A | 109.9 (10) | H14A—C14—H14B | 109.5 |
| C6—C1—Br1A | 129.5 (10) | N1—C14—H14C | 109.5 |
| C1—C2—C3 | 119.5 (3) | H14A—C14—H14C | 109.5 |
| C1—C2—H2 | 120.2 | H14B—C14—H14C | 109.5 |
| C3—C2—H2 | 120.2 | C20—C15—C16 | 118.5 (3) |
| C2—C3—C4 | 122.0 (3) | C20—C15—S1 | 120.5 (2) |
| C2—C3—H3 | 119.0 | C16—C15—S1 | 120.9 (2) |
| C4—C3—H3 | 119.0 | C17—C16—C15 | 119.5 (3) |
| C5—C4—C3 | 116.5 (3) | C17—C16—H16 | 120.2 |
| C5—C4—C7 | 123.9 (3) | C15—C16—H16 | 120.2 |
| C3—C4—C7 | 119.6 (2) | C16—C17—C18 | 122.4 (3) |
| C6—C5—C4 | 121.9 (3) | C16—C17—H17 | 118.8 |
| C6—C5—H5 | 119.1 | C18—C17—H17 | 118.8 |
| C4—C5—H5 | 119.1 | C19—C18—C17 | 116.9 (3) |
| C1—C6—C5 | 119.6 (3) | C19—C18—C21 | 122.7 (3) |
| C1—C6—H6 | 120.2 | C17—C18—C21 | 120.4 (3) |
| C5—C6—H6 | 120.2 | C18—C19—C20 | 121.8 (3) |
| C8—C7—C4 | 125.7 (3) | C18—C19—H19 | 119.1 |
| C8—C7—H7 | 117.1 | C20—C19—H19 | 119.1 |
| C4—C7—H7 | 117.1 | C19—C20—C15 | 120.8 (3) |
| C7—C8—C9 | 125.9 (3) | C19—C20—H20 | 119.6 |
| C7—C8—H8 | 117.1 | C15—C20—H20 | 119.6 |
| C9—C8—H8 | 117.1 | C18—C21—H21A | 109.5 |
| C13—C9—C10 | 116.0 (3) | C18—C21—H21B | 109.5 |
| C13—C9—C8 | 119.2 (2) | H21A—C21—H21B | 109.5 |
| C10—C9—C8 | 124.9 (2) | C18—C21—H21C | 109.5 |
| C11—C10—C9 | 121.1 (2) | H21A—C21—H21C | 109.5 |
| C11—C10—H10 | 119.5 | H21B—C21—H21C | 109.5 |
| C6—C1—C2—C3 | 0.2 (5) | C11—N1—C12—C13 | 0.7 (4) |
| Br1—C1—C2—C3 | −179.6 (3) | C14—N1—C12—C13 | 178.3 (3) |
| Br1A—C1—C2—C3 | −178.3 (3) | N1—C12—C13—C9 | −0.1 (5) |
| C1—C2—C3—C4 | 0.2 (5) | C10—C9—C13—C12 | −0.9 (4) |
| C2—C3—C4—C5 | −0.5 (5) | C8—C9—C13—C12 | 178.0 (3) |
| C2—C3—C4—C7 | 179.3 (3) | O2—S1—C15—C20 | −117.6 (2) |
| C3—C4—C5—C6 | 0.4 (5) | O3—S1—C15—C20 | 2.8 (2) |
| C7—C4—C5—C6 | −179.4 (3) | O1—S1—C15—C20 | 123.3 (2) |
| C2—C1—C6—C5 | −0.3 (5) | O2—S1—C15—C16 | 62.9 (2) |
| Br1—C1—C6—C5 | 179.5 (3) | O3—S1—C15—C16 | −176.7 (2) |
| Br1A—C1—C6—C5 | 177.8 (4) | O1—S1—C15—C16 | −56.2 (2) |
| C4—C5—C6—C1 | 0.0 (6) | C20—C15—C16—C17 | 0.2 (4) |
| C5—C4—C7—C8 | −7.5 (5) | S1—C15—C16—C17 | 179.7 (2) |
| C3—C4—C7—C8 | 172.8 (3) | C15—C16—C17—C18 | −0.5 (5) |
| C4—C7—C8—C9 | 178.1 (3) | C16—C17—C18—C19 | 0.2 (5) |
| C7—C8—C9—C13 | −178.3 (3) | C16—C17—C18—C21 | −178.7 (3) |
| C7—C8—C9—C10 | 0.5 (5) | C17—C18—C19—C20 | 0.5 (5) |
| C13—C9—C10—C11 | 1.3 (4) | C21—C18—C19—C20 | 179.3 (3) |
| C8—C9—C10—C11 | −177.5 (3) | C18—C19—C20—C15 | −0.8 (5) |
| C12—N1—C11—C10 | −0.3 (4) | C16—C15—C20—C19 | 0.5 (4) |
| C14—N1—C11—C10 | −177.9 (3) | S1—C15—C20—C19 | −179.1 (2) |
| C9—C10—C11—N1 | −0.8 (4) |