| S1—O1 | 1.4419 (9) | C7—C8 | 1.3858 (18) |
| S1—O2 | 1.4360 (9) | C8—H8 | 0.9500 |
| S1—C1 | 1.8382 (12) | C8—C9 | 1.3896 (16) |
| S1—C3 | 1.7729 (12) | C9—H9 | 0.9500 |
| O3—C2 | 1.2143 (14) | C10—H10 | 1.0000 |
| O4—N2 | 1.2281 (14) | C10—C11 | 1.5276 (15) |
| O5—N2 | 1.2267 (14) | C10—C15 | 1.5291 (16) |
| N1—C1 | 1.4527 (13) | C11—H11A | 0.9900 |
| N1—C2 | 1.3671 (14) | C11—H11B | 0.9900 |
| N1—C10 | 1.4810 (14) | C11—C12 | 1.5354 (16) |
| N2—C5 | 1.4726 (15) | C12—H12A | 0.9900 |
| C1—H1 | 1.0000 | C12—H12B | 0.9900 |
| C1—C4 | 1.5177 (15) | C12—C13 | 1.5242 (17) |
| C2—C3 | 1.5294 (15) | C13—H13A | 0.9900 |
| C3—H3A | 0.9900 | C13—H13B | 0.9900 |
| C3—H3B | 0.9900 | C13—C14 | 1.5257 (17) |
| C4—C5 | 1.4040 (15) | C14—H14A | 0.9900 |
| C4—C9 | 1.3963 (16) | C14—H14B | 0.9900 |
| C5—C6 | 1.3853 (16) | C14—C15 | 1.5342 (16) |
| C6—H6 | 0.9500 | C15—H15A | 0.9900 |
| C6—C7 | 1.3841 (18) | C15—H15B | 0.9900 |
| C7—H7 | 0.9500 | ||
| O1—S1—C1 | 111.35 (5) | C9—C8—H8 | 119.5 |
| O1—S1—C3 | 113.14 (6) | C4—C9—H9 | 119.3 |
| O2—S1—O1 | 119.26 (6) | C8—C9—C4 | 121.39 (11) |
| O2—S1—C1 | 108.34 (5) | C8—C9—H9 | 119.3 |
| O2—S1—C3 | 109.11 (6) | N1—C10—H10 | 107.5 |
| C3—S1—C1 | 92.26 (5) | N1—C10—C11 | 112.55 (9) |
| C1—N1—C10 | 120.68 (9) | N1—C10—C15 | 109.90 (9) |
| C2—N1—C1 | 117.45 (9) | C11—C10—H10 | 107.5 |
| C2—N1—C10 | 120.48 (9) | C11—C10—C15 | 111.61 (9) |
| O4—N2—C5 | 118.45 (10) | C15—C10—H10 | 107.5 |
| O5—N2—O4 | 123.92 (11) | C10—C11—H11A | 109.8 |
| O5—N2—C5 | 117.62 (11) | C10—C11—H11B | 109.8 |
| S1—C1—H1 | 110.0 | C10—C11—C12 | 109.49 (9) |
| N1—C1—S1 | 101.36 (7) | H11A—C11—H11B | 108.2 |
| N1—C1—H1 | 110.0 | C12—C11—H11A | 109.8 |
| N1—C1—C4 | 114.61 (9) | C12—C11—H11B | 109.8 |
| C4—C1—S1 | 110.64 (7) | C11—C12—H12A | 109.5 |
| C4—C1—H1 | 110.0 | C11—C12—H12B | 109.5 |
| O3—C2—N1 | 124.96 (10) | H12A—C12—H12B | 108.1 |
| O3—C2—C3 | 123.40 (10) | C13—C12—C11 | 110.88 (10) |
| N1—C2—C3 | 111.61 (9) | C13—C12—H12A | 109.5 |
| S1—C3—H3A | 111.1 | C13—C12—H12B | 109.5 |
| S1—C3—H3B | 111.1 | C12—C13—H13A | 109.5 |
| C2—C3—S1 | 103.22 (8) | C12—C13—H13B | 109.5 |
| C2—C3—H3A | 111.1 | C12—C13—C14 | 110.58 (10) |
| C2—C3—H3B | 111.1 | H13A—C13—H13B | 108.1 |
| H3A—C3—H3B | 109.1 | C14—C13—H13A | 109.5 |
| C5—C4—C1 | 123.62 (10) | C14—C13—H13B | 109.5 |
| C9—C4—C1 | 120.00 (10) | C13—C14—H14A | 109.4 |
| C9—C4—C5 | 116.27 (10) | C13—C14—H14B | 109.4 |
| C4—C5—N2 | 121.73 (10) | C13—C14—C15 | 111.06 (10) |
| C6—C5—N2 | 115.57 (10) | H14A—C14—H14B | 108.0 |
| C6—C5—C4 | 122.70 (11) | C15—C14—H14A | 109.4 |
| C5—C6—H6 | 120.2 | C15—C14—H14B | 109.4 |
| C7—C6—C5 | 119.66 (11) | C10—C15—C14 | 110.26 (10) |
| C7—C6—H6 | 120.2 | C10—C15—H15A | 109.6 |
| C6—C7—H7 | 120.5 | C10—C15—H15B | 109.6 |
| C6—C7—C8 | 119.05 (11) | C14—C15—H15A | 109.6 |
| C8—C7—H7 | 120.5 | C14—C15—H15B | 109.6 |
| C7—C8—H8 | 119.5 | H15A—C15—H15B | 108.1 |
| C7—C8—C9 | 120.90 (12) | ||
| S1—C1—C4—C5 | −69.60 (12) | C1—C4—C5—C6 | 175.39 (10) |
| S1—C1—C4—C9 | 106.31 (10) | C1—C4—C9—C8 | −177.24 (10) |
| O1—S1—C1—N1 | 148.94 (7) | C2—N1—C1—S1 | −24.61 (11) |
| O1—S1—C1—C4 | 26.96 (9) | C2—N1—C1—C4 | 94.57 (11) |
| O1—S1—C3—C2 | −147.19 (7) | C2—N1—C10—C11 | −138.49 (10) |
| O2—S1—C1—N1 | −78.01 (8) | C2—N1—C10—C15 | 96.45 (12) |
| O2—S1—C1—C4 | 160.01 (7) | C3—S1—C1—N1 | 32.98 (7) |
| O2—S1—C3—C2 | 77.52 (8) | C3—S1—C1—C4 | −88.99 (8) |
| O3—C2—C3—S1 | −153.99 (9) | C4—C5—C6—C7 | 1.63 (17) |
| O4—N2—C5—C4 | −28.26 (16) | C5—C4—C9—C8 | −1.03 (16) |
| O4—N2—C5—C6 | 151.15 (11) | C5—C6—C7—C8 | −0.87 (17) |
| O5—N2—C5—C4 | 152.98 (11) | C6—C7—C8—C9 | −0.79 (18) |
| O5—N2—C5—C6 | −27.60 (15) | C7—C8—C9—C4 | 1.78 (18) |
| N1—C1—C4—C5 | 176.56 (10) | C9—C4—C5—N2 | 178.71 (10) |
| N1—C1—C4—C9 | −7.52 (14) | C9—C4—C5—C6 | −0.67 (16) |
| N1—C2—C3—S1 | 24.31 (11) | C10—N1—C1—S1 | 141.97 (8) |
| N1—C10—C11—C12 | 178.54 (9) | C10—N1—C1—C4 | −98.85 (11) |
| N1—C10—C15—C14 | −177.81 (9) | C10—N1—C2—O3 | 12.62 (16) |
| N2—C5—C6—C7 | −177.78 (10) | C10—N1—C2—C3 | −165.64 (9) |
| C1—S1—C3—C2 | −32.79 (8) | C10—C11—C12—C13 | 57.68 (12) |
| C1—N1—C2—O3 | 179.23 (10) | C11—C10—C15—C14 | 56.59 (12) |
| C1—N1—C2—C3 | 0.97 (13) | C11—C12—C13—C14 | −57.84 (13) |
| C1—N1—C10—C11 | 55.34 (13) | C12—C13—C14—C15 | 56.73 (13) |
| C1—N1—C10—C15 | −69.72 (12) | C13—C14—C15—C10 | −55.78 (13) |
| C1—C4—C5—N2 | −5.23 (16) | C15—C10—C11—C12 | −57.33 (12) |