| C1—N1 | 1.4554 (19) | C9—C10 | 1.493 (2) |
| C1—C2 | 1.4922 (19) | C9—H9A | 0.9700 |
| C1—H1A | 0.9700 | C9—H9B | 0.9700 |
| C1—H1B | 0.9700 | C10—N3 | 1.2906 (18) |
| C2—N2 | 1.2884 (18) | C10—S2 | 1.7424 (15) |
| C2—S1 | 1.7503 (15) | C11—C12 | 1.393 (2) |
| C3—C4 | 1.391 (2) | C11—N3 | 1.394 (2) |
| C3—N2 | 1.3951 (18) | C11—C16 | 1.397 (2) |
| C3—C8 | 1.404 (2) | C12—C13 | 1.380 (3) |
| C4—C5 | 1.384 (2) | C12—H12 | 0.9300 |
| C4—H4 | 0.9300 | C13—C14 | 1.387 (3) |
| C5—C6 | 1.383 (3) | C13—H13 | 0.9300 |
| C5—H5 | 0.9300 | C14—C15 | 1.382 (2) |
| C6—C7 | 1.382 (2) | C14—H14 | 0.9300 |
| C6—H6 | 0.9300 | C15—C16 | 1.391 (2) |
| C7—C8 | 1.396 (2) | C15—H15 | 0.9300 |
| C7—H7 | 0.9300 | C16—S2 | 1.7382 (15) |
| C8—S1 | 1.7344 (13) | N1—H1 | 0.821 (19) |
| C9—N1 | 1.4567 (18) | ||
| N1—C1—C2 | 110.05 (13) | C10—C9—H9B | 109.4 |
| N1—C1—H1A | 109.7 | H9A—C9—H9B | 108.0 |
| C2—C1—H1A | 109.7 | N3—C10—C9 | 123.85 (14) |
| N1—C1—H1B | 109.7 | N3—C10—S2 | 116.97 (13) |
| C2—C1—H1B | 109.7 | C9—C10—S2 | 119.14 (11) |
| H1A—C1—H1B | 108.2 | C12—C11—N3 | 125.12 (15) |
| N2—C2—C1 | 124.47 (14) | C12—C11—C16 | 119.78 (16) |
| N2—C2—S1 | 116.49 (12) | N3—C11—C16 | 115.10 (12) |
| C1—C2—S1 | 119.04 (11) | C13—C12—C11 | 118.72 (17) |
| C4—C3—N2 | 125.36 (14) | C13—C12—H12 | 120.6 |
| C4—C3—C8 | 119.93 (14) | C11—C12—H12 | 120.6 |
| N2—C3—C8 | 114.70 (12) | C12—C13—C14 | 121.34 (16) |
| C5—C4—C3 | 118.20 (15) | C12—C13—H13 | 119.3 |
| C5—C4—H4 | 120.9 | C14—C13—H13 | 119.3 |
| C3—C4—H4 | 120.9 | C15—C14—C13 | 120.60 (17) |
| C6—C5—C4 | 121.73 (15) | C15—C14—H14 | 119.7 |
| C6—C5—H5 | 119.1 | C13—C14—H14 | 119.7 |
| C4—C5—H5 | 119.1 | C14—C15—C16 | 118.44 (16) |
| C7—C6—C5 | 121.09 (17) | C14—C15—H15 | 120.8 |
| C7—C6—H6 | 119.5 | C16—C15—H15 | 120.8 |
| C5—C6—H6 | 119.5 | C15—C16—C11 | 121.09 (14) |
| C6—C7—C8 | 117.68 (16) | C15—C16—S2 | 129.40 (13) |
| C6—C7—H7 | 121.2 | C11—C16—S2 | 109.50 (11) |
| C8—C7—H7 | 121.2 | C1—N1—C9 | 113.07 (13) |
| C7—C8—C3 | 121.37 (13) | C1—N1—H1 | 112.4 (13) |
| C7—C8—S1 | 128.98 (12) | C9—N1—H1 | 110.0 (12) |
| C3—C8—S1 | 109.60 (11) | C2—N2—C3 | 110.55 (13) |
| N1—C9—C10 | 111.02 (13) | C10—N3—C11 | 109.95 (13) |
| N1—C9—H9A | 109.4 | C8—S1—C2 | 88.66 (7) |
| C10—C9—H9A | 109.4 | C16—S2—C10 | 88.47 (7) |
| N1—C9—H9B | 109.4 | ||
| N1—C1—C2—N2 | −153.63 (14) | C12—C11—C16—C15 | −1.8 (2) |
| N1—C1—C2—S1 | 25.69 (16) | N3—C11—C16—C15 | 178.18 (14) |
| N2—C3—C4—C5 | 177.62 (14) | C12—C11—C16—S2 | 179.13 (13) |
| C8—C3—C4—C5 | −0.9 (2) | N3—C11—C16—S2 | −0.91 (16) |
| C3—C4—C5—C6 | 0.1 (2) | C2—C1—N1—C9 | −173.01 (13) |
| C4—C5—C6—C7 | 0.6 (3) | C10—C9—N1—C1 | 164.09 (13) |
| C5—C6—C7—C8 | −0.5 (2) | C1—C2—N2—C3 | −179.90 (13) |
| C6—C7—C8—C3 | −0.4 (2) | S1—C2—N2—C3 | 0.76 (16) |
| C6—C7—C8—S1 | −177.64 (12) | C4—C3—N2—C2 | −179.17 (14) |
| C4—C3—C8—C7 | 1.1 (2) | C8—C3—N2—C2 | −0.58 (18) |
| N2—C3—C8—C7 | −177.61 (13) | C9—C10—N3—C11 | 176.92 (14) |
| C4—C3—C8—S1 | 178.83 (11) | S2—C10—N3—C11 | −0.93 (17) |
| N2—C3—C8—S1 | 0.15 (15) | C12—C11—N3—C10 | −178.86 (15) |
| N1—C9—C10—N3 | 154.02 (15) | C16—C11—N3—C10 | 1.18 (18) |
| N1—C9—C10—S2 | −28.18 (18) | C7—C8—S1—C2 | 177.75 (14) |
| N3—C11—C12—C13 | −178.31 (16) | C3—C8—S1—C2 | 0.21 (10) |
| C16—C11—C12—C13 | 1.7 (2) | N2—C2—S1—C8 | −0.59 (11) |
| C11—C12—C13—C14 | −0.6 (3) | C1—C2—S1—C8 | −179.96 (12) |
| C12—C13—C14—C15 | −0.3 (3) | C15—C16—S2—C10 | −178.68 (16) |
| C13—C14—C15—C16 | 0.2 (3) | C11—C16—S2—C10 | 0.31 (11) |
| C14—C15—C16—C11 | 0.8 (2) | N3—C10—S2—C16 | 0.37 (13) |
| C14—C15—C16—S2 | 179.72 (13) | C9—C10—S2—C16 | −177.58 (13) |