| S1—C8 | 1.6786 (13) | C4—H4 | 0.9500 |
| O1—C7 | 1.2257 (16) | C5—C6 | 1.3862 (19) |
| O2—C14 | 1.3582 (16) | C5—H5 | 0.9500 |
| O2—C15 | 1.4306 (16) | C6—H6 | 0.9500 |
| N1—C7 | 1.3817 (17) | C9—C10 | 1.3865 (18) |
| N1—C8 | 1.3931 (16) | C9—C14 | 1.4147 (18) |
| N1—H1n | 0.902 (18) | C10—C11 | 1.3925 (18) |
| N2—C8 | 1.3322 (17) | C10—H10 | 0.9500 |
| N2—C9 | 1.4140 (16) | C11—C12 | 1.388 (2) |
| N2—H2n | 0.90 (2) | C11—H11 | 0.9500 |
| C1—C6 | 1.3961 (18) | C12—C13 | 1.391 (2) |
| C1—C2 | 1.3969 (18) | C12—H12 | 0.9500 |
| C1—C7 | 1.4893 (18) | C13—C14 | 1.3893 (18) |
| C2—C3 | 1.3921 (18) | C13—H13 | 0.9500 |
| C2—H2 | 0.9500 | C15—H15A | 0.9800 |
| C3—C4 | 1.390 (2) | C15—H15B | 0.9800 |
| C3—H3 | 0.9500 | C15—H15C | 0.9800 |
| C4—C5 | 1.390 (2) | ||
| C14—O2—C15 | 116.92 (10) | N2—C8—N1 | 115.49 (11) |
| C7—N1—C8 | 128.10 (11) | N2—C8—S1 | 126.89 (10) |
| C7—N1—H1n | 116.5 (12) | N1—C8—S1 | 117.61 (9) |
| C8—N1—H1n | 115.2 (12) | C10—C9—N2 | 125.27 (12) |
| C8—N2—C9 | 129.27 (11) | C10—C9—C14 | 119.48 (12) |
| C8—N2—H2n | 114.2 (12) | N2—C9—C14 | 115.12 (11) |
| C9—N2—H2n | 116.4 (12) | C9—C10—C11 | 120.27 (12) |
| C6—C1—C2 | 119.63 (12) | C9—C10—H10 | 119.9 |
| C6—C1—C7 | 117.51 (12) | C11—C10—H10 | 119.9 |
| C2—C1—C7 | 122.80 (12) | C12—C11—C10 | 120.18 (13) |
| C3—C2—C1 | 119.93 (13) | C12—C11—H11 | 119.9 |
| C3—C2—H2 | 120.0 | C10—C11—H11 | 119.9 |
| C1—C2—H2 | 120.0 | C11—C12—C13 | 120.18 (12) |
| C4—C3—C2 | 120.04 (13) | C11—C12—H12 | 119.9 |
| C4—C3—H3 | 120.0 | C13—C12—H12 | 119.9 |
| C2—C3—H3 | 120.0 | C14—C13—C12 | 120.05 (13) |
| C3—C4—C5 | 120.12 (13) | C14—C13—H13 | 120.0 |
| C3—C4—H4 | 119.9 | C12—C13—H13 | 120.0 |
| C5—C4—H4 | 119.9 | O2—C14—C13 | 125.55 (12) |
| C6—C5—C4 | 120.08 (13) | O2—C14—C9 | 114.64 (11) |
| C6—C5—H5 | 120.0 | C13—C14—C9 | 119.80 (12) |
| C4—C5—H5 | 120.0 | O2—C15—H15A | 109.5 |
| C5—C6—C1 | 120.20 (13) | O2—C15—H15B | 109.5 |
| C5—C6—H6 | 119.9 | H15A—C15—H15B | 109.5 |
| C1—C6—H6 | 119.9 | O2—C15—H15C | 109.5 |
| O1—C7—N1 | 122.62 (12) | H15A—C15—H15C | 109.5 |
| O1—C7—C1 | 121.41 (12) | H15B—C15—H15C | 109.5 |
| N1—C7—C1 | 115.96 (11) | ||
| C6—C1—C2—C3 | −0.12 (19) | C7—N1—C8—S1 | −174.57 (10) |
| C7—C1—C2—C3 | −177.16 (12) | C8—N2—C9—C10 | −33.1 (2) |
| C1—C2—C3—C4 | 0.15 (19) | C8—N2—C9—C14 | 151.20 (13) |
| C2—C3—C4—C5 | −0.3 (2) | N2—C9—C10—C11 | −177.34 (12) |
| C3—C4—C5—C6 | 0.4 (2) | C14—C9—C10—C11 | −1.80 (18) |
| C4—C5—C6—C1 | −0.4 (2) | C9—C10—C11—C12 | −0.1 (2) |
| C2—C1—C6—C5 | 0.2 (2) | C10—C11—C12—C13 | 1.4 (2) |
| C7—C1—C6—C5 | 177.44 (12) | C11—C12—C13—C14 | −0.7 (2) |
| C8—N1—C7—O1 | −2.4 (2) | C15—O2—C14—C13 | −3.32 (19) |
| C8—N1—C7—C1 | 177.36 (12) | C15—O2—C14—C9 | 176.66 (12) |
| C6—C1—C7—O1 | −24.61 (19) | C12—C13—C14—O2 | 178.76 (12) |
| C2—C1—C7—O1 | 152.49 (13) | C12—C13—C14—C9 | −1.23 (19) |
| C6—C1—C7—N1 | 155.68 (12) | C10—C9—C14—O2 | −177.52 (11) |
| C2—C1—C7—N1 | −27.22 (18) | N2—C9—C14—O2 | −1.55 (16) |
| C9—N2—C8—N1 | −179.50 (11) | C10—C9—C14—C13 | 2.46 (19) |
| C9—N2—C8—S1 | −0.8 (2) | N2—C9—C14—C13 | 178.44 (11) |
| C7—N1—C8—N2 | 4.25 (19) |