| Br1—C15 | 1.898 (5) | C16—C17 | 1.382 (7) |
| S1—C10 | 1.714 (4) | C16—H16A | 0.9300 |
| S1—C11 | 1.741 (5) | C15—C14 | 1.387 (6) |
| O1—C7 | 1.242 (4) | C12—C13 | 1.370 (6) |
| O2—C9 | 1.214 (5) | C12—C17 | 1.380 (5) |
| N1—C7 | 1.323 (6) | C12—C11 | 1.461 (6) |
| N1—C8 | 1.430 (5) | C14—C13 | 1.383 (7) |
| N1—H1A | 0.8600 | C14—H14A | 0.9300 |
| N3—C10 | 1.285 (5) | C17—H17A | 0.9300 |
| N3—N4 | 1.387 (6) | C8—C9 | 1.483 (7) |
| N4—C11 | 1.299 (5) | C8—H8A | 0.9700 |
| N2—C9 | 1.349 (5) | C8—H8B | 0.9700 |
| N2—C10 | 1.381 (6) | C13—H13A | 0.9300 |
| N2—H2A | 0.8600 | C7—C6 | 1.469 (6) |
| C4—C5 | 1.361 (7) | C6—C1 | 1.383 (5) |
| C4—C3 | 1.382 (6) | C2—C3 | 1.335 (7) |
| C4—H4B | 0.9300 | C2—C1 | 1.388 (6) |
| C5—C6 | 1.367 (7) | C2—H2B | 0.9300 |
| C5—H5A | 0.9300 | C3—H3B | 0.9300 |
| C16—C15 | 1.359 (7) | C1—H1B | 0.9300 |
| C10—S1—C11 | 86.0 (2) | C16—C17—H17A | 119.5 |
| C7—N1—C8 | 119.6 (3) | N1—C8—C9 | 112.3 (3) |
| C7—N1—H1A | 120.2 | N1—C8—H8A | 109.1 |
| C8—N1—H1A | 120.2 | C9—C8—H8A | 109.1 |
| C10—N3—N4 | 110.7 (4) | N1—C8—H8B | 109.1 |
| C11—N4—N3 | 113.3 (3) | C9—C8—H8B | 109.1 |
| C9—N2—C10 | 126.3 (3) | H8A—C8—H8B | 107.9 |
| C9—N2—H2A | 116.8 | O2—C9—N2 | 121.9 (4) |
| C10—N2—H2A | 116.8 | O2—C9—C8 | 125.0 (4) |
| C5—C4—C3 | 118.3 (5) | N2—C9—C8 | 113.1 (3) |
| C5—C4—H4B | 120.9 | N4—C11—C12 | 123.3 (4) |
| C3—C4—H4B | 120.9 | N4—C11—S1 | 113.4 (3) |
| C4—C5—C6 | 122.2 (4) | C12—C11—S1 | 123.3 (3) |
| C4—C5—H5A | 118.9 | C12—C13—C14 | 120.4 (4) |
| C6—C5—H5A | 118.9 | C12—C13—H13A | 119.8 |
| N3—C10—N2 | 119.8 (4) | C14—C13—H13A | 119.8 |
| N3—C10—S1 | 116.5 (4) | O1—C7—N1 | 120.5 (4) |
| N2—C10—S1 | 123.6 (3) | O1—C7—C6 | 120.0 (4) |
| C15—C16—C17 | 118.0 (4) | N1—C7—C6 | 119.4 (3) |
| C15—C16—H16A | 121.0 | C5—C6—C1 | 118.3 (4) |
| C17—C16—H16A | 121.0 | C5—C6—C7 | 118.5 (3) |
| C16—C15—C14 | 122.6 (5) | C1—C6—C7 | 123.2 (4) |
| C16—C15—Br1 | 119.4 (3) | C3—C2—C1 | 120.2 (4) |
| C14—C15—Br1 | 118.0 (4) | C3—C2—H2B | 119.9 |
| C13—C12—C17 | 119.7 (4) | C1—C2—H2B | 119.9 |
| C13—C12—C11 | 117.6 (3) | C2—C3—C4 | 121.2 (4) |
| C17—C12—C11 | 122.6 (4) | C2—C3—H3B | 119.4 |
| C13—C14—C15 | 118.2 (4) | C4—C3—H3B | 119.4 |
| C13—C14—H14A | 120.9 | C6—C1—C2 | 119.8 (4) |
| C15—C14—H14A | 120.9 | C6—C1—H1B | 120.1 |
| C12—C17—C16 | 121.0 (4) | C2—C1—H1B | 120.1 |
| C12—C17—H17A | 119.5 | ||
| C10—N3—N4—C11 | −1.0 (5) | C13—C12—C11—N4 | −0.9 (6) |
| C3—C4—C5—C6 | −2.5 (8) | C17—C12—C11—N4 | 178.3 (4) |
| N4—N3—C10—N2 | 179.7 (4) | C13—C12—C11—S1 | 179.6 (3) |
| N4—N3—C10—S1 | 2.2 (5) | C17—C12—C11—S1 | −1.2 (6) |
| C9—N2—C10—N3 | 179.2 (4) | C10—S1—C11—N4 | 1.5 (3) |
| C9—N2—C10—S1 | −3.6 (6) | C10—S1—C11—C12 | −178.9 (4) |
| C11—S1—C10—N3 | −2.2 (4) | C17—C12—C13—C14 | 1.8 (6) |
| C11—S1—C10—N2 | −179.5 (4) | C11—C12—C13—C14 | −179.0 (4) |
| C17—C16—C15—C14 | −1.5 (7) | C15—C14—C13—C12 | −1.8 (7) |
| C17—C16—C15—Br1 | −179.8 (3) | C8—N1—C7—O1 | 5.2 (6) |
| C16—C15—C14—C13 | 1.7 (7) | C8—N1—C7—C6 | −176.1 (4) |
| Br1—C15—C14—C13 | −179.9 (3) | C4—C5—C6—C1 | 1.8 (7) |
| C13—C12—C17—C16 | −1.6 (6) | C4—C5—C6—C7 | −178.7 (5) |
| C11—C12—C17—C16 | 179.2 (4) | O1—C7—C6—C5 | 17.2 (7) |
| C15—C16—C17—C12 | 1.4 (7) | N1—C7—C6—C5 | −161.5 (4) |
| C7—N1—C8—C9 | −159.0 (4) | O1—C7—C6—C1 | −163.3 (4) |
| C10—N2—C9—O2 | −2.3 (6) | N1—C7—C6—C1 | 18.0 (7) |
| C10—N2—C9—C8 | −180.0 (4) | C1—C2—C3—C4 | 0.1 (8) |
| N1—C8—C9—O2 | −0.2 (6) | C5—C4—C3—C2 | 1.6 (8) |
| N1—C8—C9—N2 | 177.4 (3) | C5—C6—C1—C2 | 0.0 (7) |
| N3—N4—C11—C12 | 179.8 (4) | C7—C6—C1—C2 | −179.5 (4) |
| N3—N4—C11—S1 | −0.6 (5) | C3—C2—C1—C6 | −0.9 (8) |