| C1—N1 | 1.3874 (12) | C9—O1 | 1.4835 (12) |
| C1—C6 | 1.4006 (13) | C9—C10 | 1.5177 (15) |
| C1—C2 | 1.4019 (13) | C9—C12 | 1.5185 (16) |
| C2—C3 | 1.3859 (15) | C9—C11 | 1.5222 (15) |
| C2—H2 | 0.9500 | C10—H10A | 0.9800 |
| C3—C4 | 1.4039 (15) | C10—H10B | 0.9800 |
| C3—H3 | 0.9500 | C10—H10C | 0.9800 |
| C4—C5 | 1.3815 (14) | C11—H11A | 0.9800 |
| C4—Br1 | 1.9021 (10) | C11—H11B | 0.9800 |
| C5—C6 | 1.3954 (13) | C11—H11C | 0.9800 |
| C5—H5 | 0.9500 | C12—H12A | 0.9800 |
| C6—C7 | 1.4453 (13) | C12—H12B | 0.9800 |
| C7—N2 | 1.3141 (12) | C12—H12C | 0.9800 |
| C7—N3 | 1.3671 (12) | N1—N2 | 1.3998 (11) |
| C8—O2 | 1.2122 (12) | N3—H3A | 0.840 (19) |
| C8—O1 | 1.3351 (12) | N3—H3B | 0.865 (18) |
| C8—N1 | 1.3824 (13) | ||
| N1—C1—C6 | 106.05 (8) | C10—C9—C11 | 110.23 (10) |
| N1—C1—C2 | 132.33 (9) | C12—C9—C11 | 112.91 (9) |
| C6—C1—C2 | 121.59 (9) | C9—C10—H10A | 109.5 |
| C3—C2—C1 | 116.85 (9) | C9—C10—H10B | 109.5 |
| C3—C2—H2 | 121.6 | H10A—C10—H10B | 109.5 |
| C1—C2—H2 | 121.6 | C9—C10—H10C | 109.5 |
| C2—C3—C4 | 120.95 (9) | H10A—C10—H10C | 109.5 |
| C2—C3—H3 | 119.5 | H10B—C10—H10C | 109.5 |
| C4—C3—H3 | 119.5 | C9—C11—H11A | 109.5 |
| C5—C4—C3 | 122.74 (9) | C9—C11—H11B | 109.5 |
| C5—C4—Br1 | 118.85 (8) | H11A—C11—H11B | 109.5 |
| C3—C4—Br1 | 118.40 (7) | C9—C11—H11C | 109.5 |
| C4—C5—C6 | 116.38 (9) | H11A—C11—H11C | 109.5 |
| C4—C5—H5 | 121.8 | H11B—C11—H11C | 109.5 |
| C6—C5—H5 | 121.8 | C9—C12—H12A | 109.5 |
| C5—C6—C1 | 121.49 (8) | C9—C12—H12B | 109.5 |
| C5—C6—C7 | 133.15 (9) | H12A—C12—H12B | 109.5 |
| C1—C6—C7 | 105.28 (8) | C9—C12—H12C | 109.5 |
| N2—C7—N3 | 122.92 (9) | H12A—C12—H12C | 109.5 |
| N2—C7—C6 | 111.54 (8) | H12B—C12—H12C | 109.5 |
| N3—C7—C6 | 125.46 (9) | C8—N1—C1 | 126.18 (8) |
| O2—C8—O1 | 127.43 (9) | C8—N1—N2 | 122.33 (8) |
| O2—C8—N1 | 121.75 (9) | C1—N1—N2 | 111.27 (8) |
| O1—C8—N1 | 110.82 (8) | C7—N2—N1 | 105.85 (8) |
| O1—C9—C10 | 102.25 (8) | C7—N3—H3A | 113.2 (13) |
| O1—C9—C12 | 109.28 (9) | C7—N3—H3B | 118.0 (12) |
| C10—C9—C12 | 110.83 (9) | H3A—N3—H3B | 117.7 (17) |
| O1—C9—C11 | 110.84 (8) | C8—O1—C9 | 119.35 (8) |
| N1—C1—C2—C3 | 177.48 (10) | O2—C8—N1—C1 | 10.52 (16) |
| C6—C1—C2—C3 | 0.02 (15) | O1—C8—N1—C1 | −169.07 (9) |
| C1—C2—C3—C4 | −0.25 (15) | O2—C8—N1—N2 | −175.37 (10) |
| C2—C3—C4—C5 | −0.10 (16) | O1—C8—N1—N2 | 5.04 (13) |
| C2—C3—C4—Br1 | −178.60 (8) | C6—C1—N1—C8 | 175.41 (9) |
| C3—C4—C5—C6 | 0.68 (15) | C2—C1—N1—C8 | −2.34 (17) |
| Br1—C4—C5—C6 | 179.17 (7) | C6—C1—N1—N2 | 0.75 (11) |
| C4—C5—C6—C1 | −0.91 (14) | C2—C1—N1—N2 | −177.00 (10) |
| C4—C5—C6—C7 | −177.26 (10) | N3—C7—N2—N1 | 177.97 (9) |
| N1—C1—C6—C5 | −177.46 (9) | C6—C7—N2—N1 | 0.84 (11) |
| C2—C1—C6—C5 | 0.59 (15) | C8—N1—N2—C7 | −175.90 (9) |
| N1—C1—C6—C7 | −0.22 (10) | C1—N1—N2—C7 | −1.00 (11) |
| C2—C1—C6—C7 | 177.83 (9) | O2—C8—O1—C9 | 6.31 (16) |
| C5—C6—C7—N2 | 176.37 (10) | N1—C8—O1—C9 | −174.13 (8) |
| C1—C6—C7—N2 | −0.41 (11) | C10—C9—O1—C8 | −179.09 (9) |
| C5—C6—C7—N3 | −0.68 (18) | C12—C9—O1—C8 | 63.43 (12) |
| C1—C6—C7—N3 | −177.45 (9) | C11—C9—O1—C8 | −61.63 (12) |