| Br1—C3 | 1.890 (5) | C7—H7 | 0.9300 |
| S1—O3 | 1.416 (3) | C8—C9 | 1.365 (6) |
| S1—O2 | 1.431 (3) | C8—C13 | 1.378 (6) |
| S1—N2 | 1.629 (4) | C9—C10 | 1.374 (6) |
| S1—C11 | 1.753 (4) | C9—H9 | 0.9300 |
| O1—C6 | 1.322 (5) | C10—C11 | 1.372 (6) |
| O1—H1O | 0.8621 | C10—H10 | 0.9300 |
| N1—C7 | 1.279 (5) | C11—C12 | 1.381 (5) |
| N1—C8 | 1.414 (5) | C12—C13 | 1.375 (6) |
| N1—H1N | 1.0611 | C12—H12 | 0.9300 |
| N2—C14 | 1.391 (5) | C13—H13 | 0.9300 |
| N2—H2N | 0.8600 | C15—C16 | 1.378 (6) |
| N3—C14 | 1.329 (5) | C15—C19 | 1.506 (7) |
| N3—C15 | 1.332 (6) | C16—C17 | 1.368 (6) |
| N4—C14 | 1.330 (5) | C16—H16 | 0.9300 |
| N4—C17 | 1.339 (6) | C17—C18 | 1.499 (6) |
| C1—C2 | 1.408 (6) | C18—H18A | 0.9600 |
| C1—C6 | 1.416 (6) | C18—H18B | 0.9600 |
| C1—C7 | 1.448 (6) | C18—H18C | 0.9600 |
| C2—C3 | 1.362 (6) | C19—H19A | 0.9600 |
| C2—H2 | 0.9300 | C19—H19B | 0.9600 |
| C3—C4 | 1.382 (7) | C19—H19C | 0.9600 |
| C4—C5 | 1.371 (6) | C19—H19D | 0.9600 |
| C4—H4 | 0.9300 | C19—H19E | 0.9600 |
| C5—C6 | 1.380 (7) | C19—H19F | 0.9600 |
| C5—H5 | 0.9300 | ||
| O3—S1—O2 | 118.9 (2) | C11—C10—C9 | 120.1 (4) |
| O3—S1—N2 | 110.7 (2) | C11—C10—H10 | 120.0 |
| O2—S1—N2 | 103.37 (18) | C9—C10—H10 | 120.0 |
| O3—S1—C11 | 108.73 (19) | C10—C11—C12 | 119.9 (4) |
| O2—S1—C11 | 107.90 (19) | C10—C11—S1 | 118.8 (3) |
| N2—S1—C11 | 106.54 (18) | C12—C11—S1 | 121.3 (3) |
| C6—O1—H1O | 122.5 | C13—C12—C11 | 119.2 (4) |
| C7—N1—C8 | 125.7 (4) | C13—C12—H12 | 120.4 |
| C7—N1—H1N | 117.4 | C11—C12—H12 | 120.4 |
| C8—N1—H1N | 115.7 | C12—C13—C8 | 121.0 (4) |
| C14—N2—S1 | 126.3 (3) | C12—C13—H13 | 119.5 |
| C14—N2—H2N | 116.9 | C8—C13—H13 | 119.5 |
| S1—N2—H2N | 116.9 | N3—C14—N4 | 128.6 (4) |
| C14—N3—C15 | 115.4 (4) | N3—C14—N2 | 114.1 (4) |
| C14—N4—C17 | 114.8 (4) | N4—C14—N2 | 117.2 (4) |
| C2—C1—C6 | 118.8 (4) | N3—C15—C16 | 120.7 (5) |
| C2—C1—C7 | 121.1 (4) | N3—C15—C19 | 117.2 (5) |
| C6—C1—C7 | 120.1 (4) | C16—C15—C19 | 122.2 (5) |
| C3—C2—C1 | 120.4 (4) | C17—C16—C15 | 119.3 (5) |
| C3—C2—H2 | 119.8 | C17—C16—H16 | 120.3 |
| C1—C2—H2 | 119.8 | C15—C16—H16 | 120.3 |
| C2—C3—C4 | 120.4 (4) | N4—C17—C16 | 121.1 (4) |
| C2—C3—Br1 | 120.6 (4) | N4—C17—C18 | 116.6 (5) |
| C4—C3—Br1 | 119.0 (4) | C16—C17—C18 | 122.3 (5) |
| C5—C4—C3 | 120.3 (5) | C17—C18—H18A | 109.5 |
| C5—C4—H4 | 119.8 | C17—C18—H18B | 109.5 |
| C3—C4—H4 | 119.8 | H18A—C18—H18B | 109.5 |
| C4—C5—C6 | 121.1 (5) | C17—C18—H18C | 109.5 |
| C4—C5—H5 | 119.5 | H18A—C18—H18C | 109.5 |
| C6—C5—H5 | 119.5 | H18B—C18—H18C | 109.5 |
| O1—C6—C5 | 120.2 (4) | C15—C19—H19A | 109.5 |
| O1—C6—C1 | 120.8 (4) | C15—C19—H19B | 109.5 |
| C5—C6—C1 | 119.0 (4) | H19A—C19—H19B | 109.5 |
| N1—C7—C1 | 121.3 (4) | C15—C19—H19C | 109.5 |
| N1—C7—H7 | 119.4 | H19A—C19—H19C | 109.5 |
| C1—C7—H7 | 119.4 | H19B—C19—H19C | 109.5 |
| C9—C8—C13 | 119.1 (4) | C15—C19—H19D | 109.5 |
| C9—C8—N1 | 116.2 (4) | C15—C19—H19E | 109.5 |
| C13—C8—N1 | 124.7 (4) | H19D—C19—H19E | 109.5 |
| C8—C9—C10 | 120.7 (4) | C15—C19—H19F | 109.5 |
| C8—C9—H9 | 119.6 | H19D—C19—H19F | 109.5 |
| C10—C9—H9 | 119.6 | H19E—C19—H19F | 109.5 |
| O3—S1—N2—C14 | −53.3 (4) | O3—S1—C11—C10 | −169.9 (4) |
| O2—S1—N2—C14 | 178.3 (4) | O2—S1—C11—C10 | −39.7 (4) |
| C11—S1—N2—C14 | 64.7 (4) | N2—S1—C11—C10 | 70.8 (4) |
| C6—C1—C2—C3 | 1.9 (7) | O3—S1—C11—C12 | 9.0 (4) |
| C7—C1—C2—C3 | −177.5 (4) | O2—S1—C11—C12 | 139.2 (3) |
| C1—C2—C3—C4 | −1.1 (7) | N2—S1—C11—C12 | −110.4 (4) |
| C1—C2—C3—Br1 | 179.6 (3) | C10—C11—C12—C13 | 1.9 (7) |
| C2—C3—C4—C5 | 0.8 (8) | S1—C11—C12—C13 | −177.0 (3) |
| Br1—C3—C4—C5 | −179.9 (4) | C11—C12—C13—C8 | −1.3 (7) |
| C3—C4—C5—C6 | −1.4 (9) | C9—C8—C13—C12 | −0.1 (7) |
| C4—C5—C6—O1 | 179.4 (5) | N1—C8—C13—C12 | −179.8 (4) |
| C4—C5—C6—C1 | 2.2 (8) | C15—N3—C14—N4 | 1.1 (7) |
| C2—C1—C6—O1 | −179.6 (4) | C15—N3—C14—N2 | −178.7 (4) |
| C7—C1—C6—O1 | −0.2 (7) | C17—N4—C14—N3 | −1.1 (7) |
| C2—C1—C6—C5 | −2.4 (7) | C17—N4—C14—N2 | 178.7 (4) |
| C7—C1—C6—C5 | 177.0 (5) | S1—N2—C14—N3 | −175.0 (3) |
| C8—N1—C7—C1 | −177.3 (4) | S1—N2—C14—N4 | 5.2 (6) |
| C2—C1—C7—N1 | 180.0 (4) | C14—N3—C15—C16 | −0.7 (6) |
| C6—C1—C7—N1 | 0.6 (7) | C14—N3—C15—C19 | 179.0 (4) |
| C7—N1—C8—C9 | 177.0 (4) | N3—C15—C16—C17 | 0.4 (7) |
| C7—N1—C8—C13 | −3.2 (7) | C19—C15—C16—C17 | −179.3 (5) |
| C13—C8—C9—C10 | 0.8 (7) | C14—N4—C17—C16 | 0.7 (6) |
| N1—C8—C9—C10 | −179.4 (4) | C14—N4—C17—C18 | 179.7 (4) |
| C8—C9—C10—C11 | −0.3 (7) | C15—C16—C17—N4 | −0.4 (7) |
| C9—C10—C11—C12 | −1.1 (7) | C15—C16—C17—C18 | −179.4 (5) |
| C9—C10—C11—S1 | 177.8 (4) |