| S1—C9 | 1.676 (4) | C7—H7C | 0.9600 |
| O1—C2 | 1.360 (4) | C8—H8 | 0.89 (3) |
| O1—H1 | 0.87 (4) | C9—N3A | 1.322 (8) |
| O2—C3 | 1.367 (4) | C9—N3 | 1.358 (7) |
| O2—C7 | 1.416 (4) | N3—C10 | 1.661 (8) |
| N1—C8 | 1.277 (4) | N3—H3 | 0.8600 |
| N1—N2 | 1.376 (4) | C10—C11 | 1.499 (7) |
| N2—C9 | 1.346 (4) | C10—H10A | 0.9700 |
| N2—H2 | 0.82 (3) | C10—H10B | 0.9700 |
| C1—C2 | 1.387 (4) | C11—H11A | 0.9600 |
| C1—C6 | 1.401 (4) | C11—H11B | 0.9600 |
| C1—C8 | 1.454 (4) | C11—H11C | 0.9600 |
| C2—C3 | 1.399 (4) | N3A—C10A | 1.667 (8) |
| C3—C4 | 1.371 (5) | N3A—H3A | 0.8600 |
| C4—C5 | 1.399 (5) | C10A—C11A | 1.506 (7) |
| C4—H4 | 0.93 (4) | C10A—H10C | 0.9700 |
| C5—C6 | 1.366 (5) | C10A—H10D | 0.9700 |
| C5—H5 | 1.04 (4) | C11A—H11D | 0.9600 |
| C6—H6 | 0.9300 | C11A—H11E | 0.9600 |
| C7—H7A | 0.9600 | C11A—H11F | 0.9600 |
| C7—H7B | 0.9600 | ||
| C2—O1—H1 | 113 (3) | N1—C8—H8 | 121 (2) |
| C3—O2—C7 | 118.0 (3) | C1—C8—H8 | 118 (2) |
| C8—N1—N2 | 115.5 (3) | N3A—C9—N2 | 116.4 (4) |
| C9—N2—N1 | 121.7 (3) | N2—C9—N3 | 113.1 (4) |
| C9—N2—H2 | 120 (2) | N3A—C9—S1 | 122.0 (4) |
| N1—N2—H2 | 118 (2) | N2—C9—S1 | 120.0 (3) |
| C2—C1—C6 | 118.5 (3) | N3—C9—S1 | 125.5 (3) |
| C2—C1—C8 | 119.6 (3) | C9—N3—C10 | 109.9 (5) |
| C6—C1—C8 | 121.9 (3) | C9—N3—H3 | 125.1 |
| O1—C2—C1 | 119.0 (3) | C10—N3—H3 | 125.1 |
| O1—C2—C3 | 120.3 (3) | C11—C10—N3 | 101.6 (6) |
| C1—C2—C3 | 120.6 (3) | C11—C10—H10A | 111.4 |
| O2—C3—C4 | 126.5 (3) | N3—C10—H10A | 111.4 |
| O2—C3—C2 | 113.5 (3) | C11—C10—H10B | 111.4 |
| C4—C3—C2 | 120.0 (3) | N3—C10—H10B | 111.4 |
| C3—C4—C5 | 119.6 (3) | H10A—C10—H10B | 109.3 |
| C3—C4—H4 | 118 (2) | C9—N3A—C10A | 114.2 (6) |
| C5—C4—H4 | 122 (2) | C9—N3A—H3A | 122.9 |
| C6—C5—C4 | 120.4 (3) | C10A—N3A—H3A | 122.9 |
| C6—C5—H5 | 116 (2) | C11A—C10A—N3A | 93.3 (9) |
| C4—C5—H5 | 123 (2) | C11A—C10A—H10C | 113.1 |
| C5—C6—C1 | 120.7 (3) | N3A—C10A—H10C | 113.1 |
| C5—C6—H6 | 119.6 | C11A—C10A—H10D | 113.1 |
| C1—C6—H6 | 119.6 | N3A—C10A—H10D | 113.1 |
| O2—C7—H7A | 109.5 | H10C—C10A—H10D | 110.4 |
| O2—C7—H7B | 109.5 | C10A—C11A—H11D | 109.5 |
| H7A—C7—H7B | 109.5 | C10A—C11A—H11E | 109.5 |
| O2—C7—H7C | 109.5 | H11D—C11A—H11E | 109.5 |
| H7A—C7—H7C | 109.5 | C10A—C11A—H11F | 109.5 |
| H7B—C7—H7C | 109.5 | H11D—C11A—H11F | 109.5 |
| N1—C8—C1 | 121.5 (3) | H11E—C11A—H11F | 109.5 |
| C8—N1—N2—C9 | −176.1 (3) | C8—C1—C6—C5 | 177.8 (3) |
| C6—C1—C2—O1 | 179.4 (3) | N2—N1—C8—C1 | −177.1 (3) |
| C8—C1—C2—O1 | −0.1 (4) | C2—C1—C8—N1 | 177.3 (3) |
| C6—C1—C2—C3 | 1.5 (4) | C6—C1—C8—N1 | −2.2 (5) |
| C8—C1—C2—C3 | −178.0 (3) | N1—N2—C9—N3A | −10.2 (6) |
| C7—O2—C3—C4 | 2.6 (5) | N1—N2—C9—N3 | 16.6 (6) |
| C7—O2—C3—C2 | −177.8 (3) | N1—N2—C9—S1 | −176.2 (3) |
| O1—C2—C3—O2 | 1.6 (4) | N3A—C9—N3—C10 | −54.4 (10) |
| C1—C2—C3—O2 | 179.5 (3) | N2—C9—N3—C10 | −157.7 (5) |
| O1—C2—C3—C4 | −178.8 (3) | S1—C9—N3—C10 | 35.9 (8) |
| C1—C2—C3—C4 | −0.9 (5) | C9—N3—C10—C11 | −172.4 (6) |
| O2—C3—C4—C5 | −180.0 (3) | N2—C9—N3A—C10A | 139.6 (6) |
| C2—C3—C4—C5 | 0.5 (5) | N3—C9—N3A—C10A | 51.5 (9) |
| C3—C4—C5—C6 | −0.7 (5) | S1—C9—N3A—C10A | −54.8 (9) |
| C4—C5—C6—C1 | 1.3 (5) | C9—N3A—C10A—C11A | 155.8 (9) |
| C2—C1—C6—C5 | −1.7 (5) |