| S1—C9 | 1.759 (3) | C3—H3A | 0.9300 |
| S1—C11 | 1.803 (3) | C4—C5 | 1.401 (4) |
| O1—C2 | 1.357 (3) | C4—C7 | 1.511 (4) |
| O1—H1O | 0.8400 | C5—C6 | 1.376 (4) |
| O2—C8 | 1.236 (3) | C5—H5A | 0.9300 |
| O3—C10 | 1.224 (3) | C6—H6A | 0.9300 |
| N1—C8 | 1.334 (3) | C7—H7A | 0.9600 |
| N1—N2 | 1.387 (3) | C7—H7B | 0.9600 |
| N1—H1A | 0.8600 | C7—H7C | 0.9600 |
| N2—C9 | 1.271 (3) | C10—C11 | 1.504 (4) |
| N3—C10 | 1.349 (3) | C11—H11A | 0.9700 |
| N3—C9 | 1.382 (3) | C11—H11B | 0.9700 |
| N3—H3B | 0.8600 | O4—H4OA | 0.8430 |
| C1—C6 | 1.396 (4) | O4—H4OB | 0.8119 |
| C1—C2 | 1.404 (4) | O5—H5OA | 0.8400 |
| C1—C8 | 1.489 (3) | O5—H5OB | 0.8399 |
| C2—C3 | 1.388 (4) | O6—H6OA | 0.8400 |
| C3—C4 | 1.385 (4) | O6—H6OB | 0.8400 |
| C9—S1—C11 | 91.62 (12) | C1—C6—H6A | 118.8 |
| C2—O1—H1O | 108.8 | C4—C7—H7A | 109.5 |
| C8—N1—N2 | 120.0 (2) | C4—C7—H7B | 109.5 |
| C8—N1—H1A | 120.0 | H7A—C7—H7B | 109.5 |
| N2—N1—H1A | 120.0 | C4—C7—H7C | 109.5 |
| C9—N2—N1 | 114.6 (2) | H7A—C7—H7C | 109.5 |
| C10—N3—C9 | 117.5 (2) | H7B—C7—H7C | 109.5 |
| C10—N3—H3B | 121.2 | O2—C8—N1 | 121.3 (2) |
| C9—N3—H3B | 121.2 | O2—C8—C1 | 121.7 (2) |
| C6—C1—C2 | 117.5 (2) | N1—C8—C1 | 117.0 (2) |
| C6—C1—C8 | 117.0 (2) | N2—C9—N3 | 120.5 (2) |
| C2—C1—C8 | 125.5 (2) | N2—C9—S1 | 128.4 (2) |
| O1—C2—C3 | 120.8 (2) | N3—C9—S1 | 111.13 (18) |
| O1—C2—C1 | 119.0 (2) | O3—C10—N3 | 125.6 (3) |
| C3—C2—C1 | 120.1 (2) | O3—C10—C11 | 122.5 (3) |
| C4—C3—C2 | 121.7 (3) | N3—C10—C11 | 111.9 (2) |
| C4—C3—H3A | 119.2 | C10—C11—S1 | 107.76 (18) |
| C2—C3—H3A | 119.2 | C10—C11—H11A | 110.2 |
| C3—C4—C5 | 118.5 (2) | S1—C11—H11A | 110.2 |
| C3—C4—C7 | 120.8 (3) | C10—C11—H11B | 110.2 |
| C5—C4—C7 | 120.7 (3) | S1—C11—H11B | 110.2 |
| C6—C5—C4 | 119.7 (2) | H11A—C11—H11B | 108.5 |
| C6—C5—H5A | 120.1 | H4OA—O4—H4OB | 100.2 |
| C4—C5—H5A | 120.1 | H5OA—O5—H5OB | 135.7 |
| C5—C6—C1 | 122.5 (2) | H6OA—O6—H6OB | 95.3 |
| C5—C6—H6A | 118.8 | ||
| C8—N1—N2—C9 | −178.4 (2) | C6—C1—C8—O2 | −1.6 (4) |
| C6—C1—C2—O1 | 179.0 (2) | C2—C1—C8—O2 | 177.2 (3) |
| C8—C1—C2—O1 | 0.2 (4) | C6—C1—C8—N1 | 178.9 (2) |
| C6—C1—C2—C3 | −0.4 (4) | C2—C1—C8—N1 | −2.3 (4) |
| C8—C1—C2—C3 | −179.2 (2) | N1—N2—C9—N3 | −178.8 (2) |
| O1—C2—C3—C4 | −179.4 (3) | N1—N2—C9—S1 | 0.7 (4) |
| C1—C2—C3—C4 | 0.0 (4) | C10—N3—C9—N2 | 176.4 (2) |
| C2—C3—C4—C5 | 0.5 (4) | C10—N3—C9—S1 | −3.1 (3) |
| C2—C3—C4—C7 | −180.0 (3) | C11—S1—C9—N2 | −177.6 (3) |
| C3—C4—C5—C6 | −0.6 (4) | C11—S1—C9—N3 | 1.9 (2) |
| C7—C4—C5—C6 | 179.9 (3) | C9—N3—C10—O3 | −177.0 (3) |
| C4—C5—C6—C1 | 0.2 (4) | C9—N3—C10—C11 | 2.8 (4) |
| C2—C1—C6—C5 | 0.3 (4) | O3—C10—C11—S1 | 178.6 (2) |
| C8—C1—C6—C5 | 179.2 (2) | N3—C10—C11—S1 | −1.2 (3) |
| N2—N1—C8—O2 | −0.1 (4) | C9—S1—C11—C10 | −0.4 (2) |
| N2—N1—C8—C1 | 179.4 (2) |