| N1—C4 | 1.272 (4) | C8—C9 | 1.380 (4) |
| N1—N2 | 1.386 (3) | C8—C11 | 1.513 (4) |
| N2—C3 | 1.330 (4) | C9—C10 | 1.376 (4) |
| N2—C1 | 1.468 (4) | C9—H9A | 0.9300 |
| N3—C3 | 1.299 (4) | C10—H10A | 0.9300 |
| N3—H3A | 0.9000 | C11—H11A | 0.9600 |
| N3—H3B | 0.9000 | C11—H11B | 0.9600 |
| N4—C18 | 1.328 (5) | C11—H11C | 0.9600 |
| N4—C19 | 1.445 (5) | C12—C17 | 1.374 (4) |
| N4—C20 | 1.448 (5) | C12—C13 | 1.387 (4) |
| O1—C18 | 1.223 (5) | C13—C14 | 1.386 (5) |
| S1—C3 | 1.722 (3) | C13—H13A | 0.9300 |
| S1—C2 | 1.846 (3) | C14—C15 | 1.359 (5) |
| C1—C2 | 1.535 (4) | C14—H14A | 0.9300 |
| C1—H1A | 0.9700 | C15—C16 | 1.355 (5) |
| C1—H1B | 0.9700 | C15—H15A | 0.9300 |
| C2—C12 | 1.510 (4) | C16—C17 | 1.373 (5) |
| C2—H2A | 0.9800 | C16—H16A | 0.9300 |
| C4—C5 | 1.459 (4) | C17—H17A | 0.9300 |
| C4—H4A | 0.9300 | C18—H18A | 0.9300 |
| C5—C6 | 1.381 (4) | C19—H19A | 0.9600 |
| C5—C10 | 1.385 (4) | C19—H19B | 0.9600 |
| C6—C7 | 1.386 (5) | C19—H19C | 0.9600 |
| C6—H6A | 0.9300 | C20—H20A | 0.9600 |
| C7—C8 | 1.375 (5) | C20—H20B | 0.9600 |
| C7—H7A | 0.9300 | C20—H20C | 0.9600 |
| C4—N1—N2 | 118.6 (2) | C8—C9—H9A | 119.1 |
| C3—N2—N1 | 116.8 (2) | C9—C10—C5 | 120.3 (3) |
| C3—N2—C1 | 116.1 (2) | C9—C10—H10A | 119.9 |
| N1—N2—C1 | 127.0 (2) | C5—C10—H10A | 119.9 |
| C3—N3—H3A | 116.4 | C8—C11—H11A | 109.5 |
| C3—N3—H3B | 116.4 | C8—C11—H11B | 109.5 |
| H3A—N3—H3B | 124.4 | H11A—C11—H11B | 109.5 |
| C18—N4—C19 | 120.2 (4) | C8—C11—H11C | 109.5 |
| C18—N4—C20 | 121.7 (4) | H11A—C11—H11C | 109.5 |
| C19—N4—C20 | 118.0 (4) | H11B—C11—H11C | 109.5 |
| C3—S1—C2 | 90.96 (13) | C17—C12—C13 | 118.5 (3) |
| N2—C1—C2 | 105.6 (2) | C17—C12—C2 | 122.3 (3) |
| N2—C1—H1A | 110.6 | C13—C12—C2 | 119.1 (3) |
| C2—C1—H1A | 110.6 | C14—C13—C12 | 120.0 (3) |
| N2—C1—H1B | 110.6 | C14—C13—H13A | 120.0 |
| C2—C1—H1B | 110.6 | C12—C13—H13A | 120.0 |
| H1A—C1—H1B | 108.7 | C15—C14—C13 | 119.8 (3) |
| C12—C2—C1 | 116.6 (3) | C15—C14—H14A | 120.1 |
| C12—C2—S1 | 109.4 (2) | C13—C14—H14A | 120.1 |
| C1—C2—S1 | 104.9 (2) | C16—C15—C14 | 120.9 (3) |
| C12—C2—H2A | 108.6 | C16—C15—H15A | 119.6 |
| C1—C2—H2A | 108.6 | C14—C15—H15A | 119.6 |
| S1—C2—H2A | 108.6 | C15—C16—C17 | 119.8 (3) |
| N3—C3—N2 | 123.2 (3) | C15—C16—H16A | 120.1 |
| N3—C3—S1 | 123.0 (2) | C17—C16—H16A | 120.1 |
| N2—C3—S1 | 113.8 (2) | C16—C17—C12 | 121.0 (3) |
| N1—C4—C5 | 120.4 (3) | C16—C17—H17A | 119.5 |
| N1—C4—H4A | 119.8 | C12—C17—H17A | 119.5 |
| C5—C4—H4A | 119.8 | O1—C18—N4 | 125.7 (4) |
| C6—C5—C10 | 118.5 (3) | O1—C18—H18A | 117.2 |
| C6—C5—C4 | 119.4 (3) | N4—C18—H18A | 117.2 |
| C10—C5—C4 | 122.0 (3) | N4—C19—H19A | 109.5 |
| C5—C6—C7 | 120.4 (3) | N4—C19—H19B | 109.5 |
| C5—C6—H6A | 119.8 | H19A—C19—H19B | 109.5 |
| C7—C6—H6A | 119.8 | N4—C19—H19C | 109.5 |
| C8—C7—C6 | 121.5 (3) | H19A—C19—H19C | 109.5 |
| C8—C7—H7A | 119.3 | H19B—C19—H19C | 109.5 |
| C6—C7—H7A | 119.3 | N4—C20—H20A | 109.5 |
| C7—C8—C9 | 117.6 (3) | N4—C20—H20B | 109.5 |
| C7—C8—C11 | 121.0 (3) | H20A—C20—H20B | 109.5 |
| C9—C8—C11 | 121.5 (3) | N4—C20—H20C | 109.5 |
| C10—C9—C8 | 121.8 (3) | H20A—C20—H20C | 109.5 |
| C10—C9—H9A | 119.1 | H20B—C20—H20C | 109.5 |
| C4—N1—N2—C3 | −170.3 (3) | C6—C7—C8—C11 | 178.7 (4) |
| C4—N1—N2—C1 | 5.3 (4) | C7—C8—C9—C10 | 0.2 (5) |
| C3—N2—C1—C2 | −24.2 (4) | C11—C8—C9—C10 | −179.8 (3) |
| N1—N2—C1—C2 | 160.2 (3) | C8—C9—C10—C5 | 1.8 (5) |
| N2—C1—C2—C12 | 150.8 (3) | C6—C5—C10—C9 | −2.6 (5) |
| N2—C1—C2—S1 | 29.7 (3) | C4—C5—C10—C9 | 175.9 (3) |
| C3—S1—C2—C12 | −149.7 (2) | C1—C2—C12—C17 | −50.1 (4) |
| C3—S1—C2—C1 | −23.9 (2) | S1—C2—C12—C17 | 68.6 (3) |
| N1—N2—C3—N3 | 1.9 (4) | C1—C2—C12—C13 | 133.7 (3) |
| C1—N2—C3—N3 | −174.2 (3) | S1—C2—C12—C13 | −107.5 (3) |
| N1—N2—C3—S1 | −178.1 (2) | C17—C12—C13—C14 | −0.7 (5) |
| C1—N2—C3—S1 | 5.8 (4) | C2—C12—C13—C14 | 175.6 (3) |
| C2—S1—C3—N3 | −168.3 (3) | C12—C13—C14—C15 | 0.3 (6) |
| C2—S1—C3—N2 | 11.6 (2) | C13—C14—C15—C16 | 0.4 (6) |
| N2—N1—C4—C5 | −176.8 (3) | C14—C15—C16—C17 | −0.8 (6) |
| N1—C4—C5—C6 | 175.2 (3) | C15—C16—C17—C12 | 0.4 (6) |
| N1—C4—C5—C10 | −3.3 (5) | C13—C12—C17—C16 | 0.3 (5) |
| C10—C5—C6—C7 | 1.5 (5) | C2—C12—C17—C16 | −175.9 (3) |
| C4—C5—C6—C7 | −177.0 (3) | C19—N4—C18—O1 | 0.5 (6) |
| C5—C6—C7—C8 | 0.5 (6) | C20—N4—C18—O1 | 177.5 (4) |
| C6—C7—C8—C9 | −1.4 (5) |