| Br1—C2 | 1.904 (3) | C3—H3 | 0.9300 |
| O1—C8 | 1.211 (3) | C4—C5 | 1.409 (3) |
| O2—C8 | 1.339 (3) | C6—C7 | 1.493 (4) |
| O2—C9 | 1.469 (3) | C7—H7A | 0.9700 |
| N1—C5 | 1.325 (3) | C7—H7B | 0.9700 |
| N1—C1 | 1.342 (3) | C9—C10 | 1.498 (5) |
| N2—C6 | 1.362 (3) | C9—C11 | 1.507 (5) |
| N2—C5 | 1.369 (3) | C9—C12 | 1.512 (4) |
| N2—H2 | 0.81 (3) | C10—H10A | 0.9600 |
| N3—C6 | 1.310 (3) | C10—H10B | 0.9600 |
| N3—C4 | 1.385 (3) | C10—H10C | 0.9600 |
| N4—C8 | 1.335 (3) | C11—H11A | 0.9600 |
| N4—C7 | 1.449 (3) | C11—H11B | 0.9600 |
| N4—H3A | 0.84 (3) | C11—H11C | 0.9600 |
| C1—C2 | 1.383 (4) | C12—H12A | 0.9600 |
| C1—H1 | 0.9300 | C12—H12B | 0.9600 |
| C2—C3 | 1.370 (4) | C12—H12C | 0.9600 |
| C3—C4 | 1.382 (3) | ||
| C8—O2—C9 | 121.1 (2) | N4—C7—H7B | 109.0 |
| C5—N1—C1 | 114.3 (2) | C6—C7—H7B | 109.0 |
| C6—N2—C5 | 106.5 (2) | H7A—C7—H7B | 107.8 |
| C6—N2—H2 | 128 (2) | O1—C8—N4 | 123.3 (2) |
| C5—N2—H2 | 126 (2) | O1—C8—O2 | 125.9 (2) |
| C6—N3—C4 | 104.4 (2) | N4—C8—O2 | 110.8 (2) |
| C8—N4—C7 | 120.4 (2) | O2—C9—C10 | 110.4 (3) |
| C8—N4—H3A | 118.5 (17) | O2—C9—C11 | 109.5 (3) |
| C7—N4—H3A | 120.2 (17) | C10—C9—C11 | 112.1 (3) |
| N1—C1—C2 | 122.6 (3) | O2—C9—C12 | 102.3 (2) |
| N1—C1—H1 | 118.7 | C10—C9—C12 | 111.6 (3) |
| C2—C1—H1 | 118.7 | C11—C9—C12 | 110.5 (3) |
| C3—C2—C1 | 122.8 (2) | C9—C10—H10A | 109.5 |
| C3—C2—Br1 | 119.8 (2) | C9—C10—H10B | 109.5 |
| C1—C2—Br1 | 117.4 (2) | H10A—C10—H10B | 109.5 |
| C2—C3—C4 | 115.9 (2) | C9—C10—H10C | 109.5 |
| C2—C3—H3 | 122.1 | H10A—C10—H10C | 109.5 |
| C4—C3—H3 | 122.1 | H10B—C10—H10C | 109.5 |
| C3—C4—N3 | 132.5 (2) | C9—C11—H11A | 109.5 |
| C3—C4—C5 | 117.7 (2) | C9—C11—H11B | 109.5 |
| N3—C4—C5 | 109.8 (2) | H11A—C11—H11B | 109.5 |
| N1—C5—N2 | 127.9 (2) | C9—C11—H11C | 109.5 |
| N1—C5—C4 | 126.8 (2) | H11A—C11—H11C | 109.5 |
| N2—C5—C4 | 105.4 (2) | H11B—C11—H11C | 109.5 |
| N3—C6—N2 | 114.0 (2) | C9—C12—H12A | 109.5 |
| N3—C6—C7 | 124.0 (2) | C9—C12—H12B | 109.5 |
| N2—C6—C7 | 122.1 (2) | H12A—C12—H12B | 109.5 |
| N4—C7—C6 | 113.0 (2) | C9—C12—H12C | 109.5 |
| N4—C7—H7A | 109.0 | H12A—C12—H12C | 109.5 |
| C6—C7—H7A | 109.0 | H12B—C12—H12C | 109.5 |
| C5—N1—C1—C2 | −0.2 (4) | N3—C4—C5—N2 | 0.5 (3) |
| N1—C1—C2—C3 | −0.4 (4) | C4—N3—C6—N2 | 0.4 (3) |
| N1—C1—C2—Br1 | 179.1 (2) | C4—N3—C6—C7 | −178.3 (2) |
| C1—C2—C3—C4 | 0.5 (4) | C5—N2—C6—N3 | −0.1 (3) |
| Br1—C2—C3—C4 | −178.99 (19) | C5—N2—C6—C7 | 178.7 (2) |
| C2—C3—C4—N3 | 179.1 (3) | C8—N4—C7—C6 | 65.8 (3) |
| C2—C3—C4—C5 | 0.0 (4) | N3—C6—C7—N4 | −149.7 (2) |
| C6—N3—C4—C3 | −179.6 (3) | N2—C6—C7—N4 | 31.7 (3) |
| C6—N3—C4—C5 | −0.5 (3) | C7—N4—C8—O1 | −4.5 (4) |
| C1—N1—C5—N2 | −179.8 (3) | C7—N4—C8—O2 | 175.7 (2) |
| C1—N1—C5—C4 | 0.7 (4) | C9—O2—C8—O1 | −2.6 (4) |
| C6—N2—C5—N1 | −179.8 (3) | C9—O2—C8—N4 | 177.2 (2) |
| C6—N2—C5—C4 | −0.3 (3) | C8—O2—C9—C10 | 61.7 (4) |
| C3—C4—C5—N1 | −0.7 (4) | C8—O2—C9—C11 | −62.3 (4) |
| N3—C4—C5—N1 | −179.9 (2) | C8—O2—C9—C12 | −179.5 (3) |
| C3—C4—C5—N2 | 179.8 (2) |