| S—C8 | 1.712 (4) | C4—C5 | 1.404 (8) |
| S—C9 | 1.751 (6) | C4—H4A | 0.9300 |
| O1—C2 | 1.360 (5) | C5—C6 | 1.354 (9) |
| O1—C1 | 1.429 (6) | C5—H5A | 0.9300 |
| O2—C10 | 1.226 (5) | C6—C7 | 1.343 (8) |
| O3—C12 | 1.347 (5) | C6—H6A | 0.9300 |
| O3—C11 | 1.436 (5) | C7—H7A | 0.9300 |
| O4—H4 | 0.8501 | C10—C13 | 1.492 (6) |
| N1—C9 | 1.329 (6) | C11—H11A | 0.9600 |
| N1—N2 | 1.337 (5) | C11—H11B | 0.9600 |
| N2—C8 | 1.271 (5) | C11—H11C | 0.9600 |
| N3—C9 | 1.171 (6) | C12—C13 | 1.409 (6) |
| N3—C10 | 1.464 (5) | C12—C17 | 1.411 (7) |
| N3—H3A | 0.8600 | C13—C14 | 1.397 (6) |
| C1—H1B | 0.9600 | C14—C15 | 1.374 (7) |
| C1—H1C | 0.9600 | C14—H14A | 0.9300 |
| C1—H1D | 0.9600 | C15—C16 | 1.364 (8) |
| C2—C7 | 1.398 (7) | C15—H15A | 0.9300 |
| C2—C3 | 1.404 (6) | C16—C17 | 1.361 (7) |
| C3—C4 | 1.390 (6) | C16—H16A | 0.9300 |
| C3—C8 | 1.472 (6) | C17—H17A | 0.9300 |
| C8—S—C9 | 87.3 (2) | N2—C8—S | 113.1 (3) |
| C2—O1—C1 | 118.8 (4) | C3—C8—S | 127.2 (3) |
| C12—O3—C11 | 118.8 (4) | N3—C9—N1 | 120.5 (5) |
| C9—N1—N2 | 111.7 (4) | N3—C9—S | 127.8 (4) |
| C8—N2—N1 | 116.1 (4) | N1—C9—S | 111.7 (4) |
| C9—N3—C10 | 130.6 (4) | O2—C10—N3 | 115.8 (4) |
| C9—N3—H3A | 114.7 | O2—C10—C13 | 122.2 (4) |
| C10—N3—H3A | 114.7 | N3—C10—C13 | 122.0 (4) |
| O1—C1—H1B | 109.5 | O3—C11—H11A | 109.5 |
| O1—C1—H1C | 109.5 | O3—C11—H11B | 109.5 |
| H1B—C1—H1C | 109.5 | H11A—C11—H11B | 109.5 |
| O1—C1—H1D | 109.5 | O3—C11—H11C | 109.5 |
| H1B—C1—H1D | 109.5 | H11A—C11—H11C | 109.5 |
| H1C—C1—H1D | 109.5 | H11B—C11—H11C | 109.5 |
| O1—C2—C7 | 124.0 (5) | O3—C12—C13 | 117.3 (4) |
| O1—C2—C3 | 116.0 (4) | O3—C12—C17 | 123.6 (4) |
| C7—C2—C3 | 120.0 (5) | C13—C12—C17 | 119.0 (4) |
| C4—C3—C2 | 118.5 (4) | C14—C13—C12 | 118.4 (4) |
| C4—C3—C8 | 117.8 (4) | C14—C13—C10 | 116.0 (4) |
| C2—C3—C8 | 123.7 (4) | C12—C13—C10 | 125.5 (4) |
| C3—C4—C5 | 119.4 (6) | C15—C14—C13 | 121.8 (5) |
| C3—C4—H4A | 120.3 | C15—C14—H14A | 119.1 |
| C5—C4—H4A | 120.3 | C13—C14—H14A | 119.1 |
| C6—C5—C4 | 120.7 (6) | C16—C15—C14 | 118.6 (5) |
| C6—C5—H5A | 119.6 | C16—C15—H15A | 120.7 |
| C4—C5—H5A | 119.6 | C14—C15—H15A | 120.7 |
| C7—C6—C5 | 121.0 (6) | C17—C16—C15 | 122.8 (5) |
| C7—C6—H6A | 119.5 | C17—C16—H16A | 118.6 |
| C5—C6—H6A | 119.5 | C15—C16—H16A | 118.6 |
| C6—C7—C2 | 120.4 (5) | C16—C17—C12 | 119.3 (5) |
| C6—C7—H7A | 119.8 | C16—C17—H17A | 120.4 |
| C2—C7—H7A | 119.8 | C12—C17—H17A | 120.4 |
| N2—C8—C3 | 119.6 (4) | ||
| C9—N1—N2—C8 | 1.8 (7) | N2—N1—C9—N3 | 177.2 (5) |
| C1—O1—C2—C7 | 5.2 (7) | N2—N1—C9—S | −1.8 (6) |
| C1—O1—C2—C3 | −174.9 (5) | C8—S—C9—N3 | −177.8 (5) |
| O1—C2—C3—C4 | 179.6 (4) | C8—S—C9—N1 | 1.1 (4) |
| C7—C2—C3—C4 | −0.5 (7) | C9—N3—C10—O2 | 2.0 (7) |
| O1—C2—C3—C8 | −0.8 (7) | C9—N3—C10—C13 | −179.0 (5) |
| C7—C2—C3—C8 | 179.1 (4) | C11—O3—C12—C13 | 176.9 (4) |
| C2—C3—C4—C5 | 2.2 (8) | C11—O3—C12—C17 | −2.3 (7) |
| C8—C3—C4—C5 | −177.4 (5) | O3—C12—C13—C14 | −178.2 (4) |
| C3—C4—C5—C6 | −3.0 (10) | C17—C12—C13—C14 | 1.0 (6) |
| C4—C5—C6—C7 | 2.0 (11) | O3—C12—C13—C10 | 1.1 (6) |
| C5—C6—C7—C2 | −0.3 (10) | C17—C12—C13—C10 | −179.7 (4) |
| O1—C2—C7—C6 | 179.4 (5) | O2—C10—C13—C14 | −2.1 (7) |
| C3—C2—C7—C6 | −0.5 (8) | N3—C10—C13—C14 | 179.0 (4) |
| N1—N2—C8—C3 | 178.5 (4) | O2—C10—C13—C12 | 178.6 (4) |
| N1—N2—C8—S | −0.9 (6) | N3—C10—C13—C12 | −0.3 (7) |
| C4—C3—C8—N2 | −2.9 (7) | C12—C13—C14—C15 | −1.3 (7) |
| C2—C3—C8—N2 | 177.5 (5) | C10—C13—C14—C15 | 179.3 (4) |
| C4—C3—C8—S | 176.4 (4) | C13—C14—C15—C16 | −0.7 (8) |
| C2—C3—C8—S | −3.2 (7) | C14—C15—C16—C17 | 3.1 (9) |
| C9—S—C8—N2 | −0.2 (4) | C15—C16—C17—C12 | −3.5 (8) |
| C9—S—C8—C3 | −179.5 (4) | O3—C12—C17—C16 | −179.5 (4) |
| C10—N3—C9—N1 | −179.7 (4) | C13—C12—C17—C16 | 1.3 (7) |
| C10—N3—C9—S | −0.9 (8) |