| C1—N1 | 1.378 (3) | C12—C13 | 1.379 (3) |
| C1—C5 | 1.383 (3) | C12—Br1 | 1.904 (2) |
| C1—C2 | 1.523 (3) | C13—C14 | 1.392 (3) |
| C2—C10 | 1.523 (2) | C13—H13 | 0.9300 |
| C2—C3 | 1.544 (3) | C14—H14 | 0.9300 |
| C2—C8 | 1.564 (3) | C31—O4 | 1.257 (2) |
| C3—C4 | 1.409 (3) | C31—C32 | 1.502 (3) |
| C3—C31 | 1.418 (3) | C32—C33 | 1.374 (3) |
| C4—N2 | 1.324 (3) | C32—C37 | 1.385 (3) |
| C4—N4 | 1.361 (3) | C33—C34 | 1.388 (3) |
| C5—N5 | 1.314 (2) | C33—H33 | 0.9300 |
| C5—N4 | 1.365 (3) | C34—C35 | 1.379 (4) |
| C6—N5 | 1.442 (3) | C34—H34 | 0.9300 |
| C6—C7 | 1.508 (3) | C35—C36 | 1.379 (4) |
| C6—H6A | 0.9700 | C35—C38 | 1.525 (4) |
| C6—H6B | 0.9700 | C36—C37 | 1.381 (3) |
| C7—N4 | 1.472 (2) | C36—H36 | 0.9300 |
| C7—H7A | 0.9700 | C37—H37 | 0.9300 |
| C7—H7B | 0.9700 | C38—H38A | 0.9600 |
| C8—O3 | 1.225 (2) | C38—H38B | 0.9600 |
| C8—N3 | 1.341 (2) | C38—H38C | 0.9600 |
| C9—C14 | 1.385 (3) | N1—O2 | 1.250 (2) |
| C9—C10 | 1.388 (3) | N1—O1 | 1.254 (2) |
| C9—N3 | 1.391 (2) | N2—H2A | 0.8600 |
| C10—C11 | 1.378 (3) | N2—H2B | 0.8600 |
| C11—C12 | 1.380 (3) | N3—H3 | 0.8600 |
| C11—H11 | 0.9300 | N5—H5 | 0.8600 |
| N1—C1—C5 | 118.64 (17) | C14—C13—H13 | 120.0 |
| N1—C1—C2 | 118.86 (16) | C9—C14—C13 | 117.5 (2) |
| C5—C1—C2 | 122.03 (16) | C9—C14—H14 | 121.2 |
| C1—C2—C10 | 111.65 (14) | C13—C14—H14 | 121.2 |
| C1—C2—C3 | 110.57 (14) | O4—C31—C3 | 122.18 (18) |
| C10—C2—C3 | 113.94 (15) | O4—C31—C32 | 113.15 (17) |
| C1—C2—C8 | 110.53 (15) | C3—C31—C32 | 124.64 (17) |
| C10—C2—C8 | 100.28 (14) | C33—C32—C37 | 118.93 (19) |
| C3—C2—C8 | 109.43 (14) | C33—C32—C31 | 120.95 (19) |
| C4—C3—C31 | 118.04 (17) | C37—C32—C31 | 119.27 (18) |
| C4—C3—C2 | 119.66 (16) | C32—C33—C34 | 120.1 (2) |
| C31—C3—C2 | 122.30 (16) | C32—C33—H33 | 120.0 |
| N2—C4—N4 | 115.38 (18) | C34—C33—H33 | 120.0 |
| N2—C4—C3 | 123.41 (19) | C35—C34—C33 | 121.3 (2) |
| N4—C4—C3 | 121.21 (17) | C35—C34—H34 | 119.4 |
| N5—C5—N4 | 109.02 (17) | C33—C34—H34 | 119.4 |
| N5—C5—C1 | 130.78 (18) | C36—C35—C34 | 118.3 (2) |
| N4—C5—C1 | 120.20 (17) | C36—C35—C38 | 119.8 (3) |
| N5—C6—C7 | 103.37 (16) | C34—C35—C38 | 121.9 (3) |
| N5—C6—H6A | 111.1 | C35—C36—C37 | 120.9 (2) |
| C7—C6—H6A | 111.1 | C35—C36—H36 | 119.6 |
| N5—C6—H6B | 111.1 | C37—C36—H36 | 119.6 |
| C7—C6—H6B | 111.1 | C36—C37—C32 | 120.5 (2) |
| H6A—C6—H6B | 109.1 | C36—C37—H37 | 119.7 |
| N4—C7—C6 | 102.60 (16) | C32—C37—H37 | 119.7 |
| N4—C7—H7A | 111.2 | C35—C38—H38A | 109.5 |
| C6—C7—H7A | 111.2 | C35—C38—H38B | 109.5 |
| N4—C7—H7B | 111.2 | H38A—C38—H38B | 109.5 |
| C6—C7—H7B | 111.2 | C35—C38—H38C | 109.5 |
| H7A—C7—H7B | 109.2 | H38A—C38—H38C | 109.5 |
| O3—C8—N3 | 127.15 (18) | H38B—C38—H38C | 109.5 |
| O3—C8—C2 | 124.20 (17) | O2—N1—O1 | 120.52 (17) |
| N3—C8—C2 | 108.65 (15) | O2—N1—C1 | 118.71 (16) |
| C14—C9—C10 | 121.71 (18) | O1—N1—C1 | 120.76 (17) |
| C14—C9—N3 | 128.25 (18) | C4—N2—H2A | 120.0 |
| C10—C9—N3 | 110.03 (16) | C4—N2—H2B | 120.0 |
| C11—C10—C9 | 120.72 (17) | H2A—N2—H2B | 120.0 |
| C11—C10—C2 | 130.31 (17) | C8—N3—C9 | 112.00 (15) |
| C9—C10—C2 | 108.97 (15) | C8—N3—H3 | 124.0 |
| C10—C11—C12 | 117.34 (19) | C9—N3—H3 | 124.0 |
| C10—C11—H11 | 121.3 | C4—N4—C5 | 122.77 (16) |
| C12—C11—H11 | 121.3 | C4—N4—C7 | 125.06 (17) |
| C13—C12—C11 | 122.7 (2) | C5—N4—C7 | 110.57 (16) |
| C13—C12—Br1 | 118.99 (16) | C5—N5—C6 | 113.04 (17) |
| C11—C12—Br1 | 118.32 (17) | C5—N5—H5 | 123.5 |
| C12—C13—C14 | 119.99 (19) | C6—N5—H5 | 123.5 |
| C12—C13—H13 | 120.0 | ||
| N1—C1—C2—C10 | −62.7 (2) | C10—C9—C14—C13 | −0.9 (3) |
| C5—C1—C2—C10 | 109.30 (19) | N3—C9—C14—C13 | 178.1 (2) |
| N1—C1—C2—C3 | 169.32 (16) | C12—C13—C14—C9 | 0.4 (3) |
| C5—C1—C2—C3 | −18.7 (2) | C4—C3—C31—O4 | −8.1 (3) |
| N1—C1—C2—C8 | 48.0 (2) | C2—C3—C31—O4 | 172.2 (2) |
| C5—C1—C2—C8 | −139.99 (18) | C4—C3—C31—C32 | 169.99 (18) |
| C1—C2—C3—C4 | 15.3 (2) | C2—C3—C31—C32 | −9.7 (3) |
| C10—C2—C3—C4 | −111.41 (19) | O4—C31—C32—C33 | 102.3 (2) |
| C8—C2—C3—C4 | 137.27 (17) | C3—C31—C32—C33 | −75.9 (3) |
| C1—C2—C3—C31 | −164.99 (17) | O4—C31—C32—C37 | −67.0 (3) |
| C10—C2—C3—C31 | 68.3 (2) | C3—C31—C32—C37 | 114.8 (2) |
| C8—C2—C3—C31 | −43.0 (2) | C37—C32—C33—C34 | −1.0 (3) |
| C31—C3—C4—N2 | −0.7 (3) | C31—C32—C33—C34 | −170.3 (2) |
| C2—C3—C4—N2 | 178.98 (19) | C32—C33—C34—C35 | 0.3 (4) |
| C31—C3—C4—N4 | 179.52 (18) | C33—C34—C35—C36 | 0.2 (4) |
| C2—C3—C4—N4 | −0.8 (3) | C33—C34—C35—C38 | 178.4 (3) |
| N1—C1—C5—N5 | −1.1 (3) | C34—C35—C36—C37 | 0.1 (4) |
| C2—C1—C5—N5 | −173.18 (19) | C38—C35—C36—C37 | −178.1 (3) |
| N1—C1—C5—N4 | 179.15 (16) | C35—C36—C37—C32 | −0.9 (3) |
| C2—C1—C5—N4 | 7.1 (3) | C33—C32—C37—C36 | 1.3 (3) |
| N5—C6—C7—N4 | −11.3 (2) | C31—C32—C37—C36 | 170.8 (2) |
| C1—C2—C8—O3 | 61.5 (2) | C5—C1—N1—O2 | −176.85 (18) |
| C10—C2—C8—O3 | 179.41 (18) | C2—C1—N1—O2 | −4.6 (3) |
| C3—C2—C8—O3 | −60.5 (2) | C5—C1—N1—O1 | 2.4 (3) |
| C1—C2—C8—N3 | −119.69 (16) | C2—C1—N1—O1 | 174.70 (17) |
| C10—C2—C8—N3 | −1.77 (19) | O3—C8—N3—C9 | −178.42 (19) |
| C3—C2—C8—N3 | 118.31 (16) | C2—C8—N3—C9 | 2.8 (2) |
| C14—C9—C10—C11 | 0.7 (3) | C14—C9—N3—C8 | 178.2 (2) |
| N3—C9—C10—C11 | −178.48 (17) | C10—C9—N3—C8 | −2.7 (2) |
| C14—C9—C10—C2 | −179.42 (18) | N2—C4—N4—C5 | 166.80 (18) |
| N3—C9—C10—C2 | 1.4 (2) | C3—C4—N4—C5 | −13.5 (3) |
| C1—C2—C10—C11 | −62.8 (3) | N2—C4—N4—C7 | 2.6 (3) |
| C3—C2—C10—C11 | 63.3 (3) | C3—C4—N4—C7 | −177.68 (18) |
| C8—C2—C10—C11 | −179.93 (19) | N5—C5—N4—C4 | −169.47 (17) |
| C1—C2—C10—C9 | 117.27 (17) | C1—C5—N4—C4 | 10.3 (3) |
| C3—C2—C10—C9 | −116.59 (17) | N5—C5—N4—C7 | −3.2 (2) |
| C8—C2—C10—C9 | 0.18 (19) | C1—C5—N4—C7 | 176.55 (17) |
| C9—C10—C11—C12 | 0.1 (3) | C6—C7—N4—C4 | 175.24 (19) |
| C2—C10—C11—C12 | −179.74 (19) | C6—C7—N4—C5 | 9.4 (2) |
| C10—C11—C12—C13 | −0.7 (3) | N4—C5—N5—C6 | −5.0 (2) |
| C10—C11—C12—Br1 | 179.96 (14) | C1—C5—N5—C6 | 175.2 (2) |
| C11—C12—C13—C14 | 0.4 (4) | C7—C6—N5—C5 | 10.7 (2) |
| Br1—C12—C13—C14 | 179.77 (17) |