| S1—O11 | 1.442 (2) | C9—C10 | 1.425 (4) |
| S1—O13 | 1.450 (2) | C9—H9 | 0.9500 |
| S1—O14 | 1.458 (2) | C10—C11 | 1.429 (4) |
| S1—O12 | 1.554 (3) | C11—C12 | 1.459 (4) |
| C1—C11 | 1.391 (4) | C12—N13 | 1.279 (4) |
| C1—C2 | 1.399 (4) | C12—H12A | 0.9500 |
| C1—H1 | 0.9500 | N13—N14 | 1.384 (3) |
| C2—C3 | 1.375 (4) | N14—C15 | 1.328 (4) |
| C2—H2 | 0.9500 | N14—H14 | 0.86 (2) |
| C3—O4 | 1.350 (4) | C15—N16 | 1.313 (4) |
| C3—C5 | 1.424 (4) | C15—S2 | 1.733 (3) |
| O4—H4O | 0.96 (6) | N16—H16B | 0.84 (2) |
| C5—C6 | 1.420 (4) | N16—H16A | 0.86 (2) |
| C5—C10 | 1.424 (4) | C17—S2 | 1.800 (3) |
| C6—C7 | 1.366 (5) | C17—H17A | 0.9800 |
| C6—H6 | 0.9500 | C17—H17B | 0.9800 |
| C7—C8 | 1.400 (5) | C17—H17C | 0.9800 |
| C7—H7 | 0.9500 | O12—H12O | 0.94 (5) |
| C8—C9 | 1.376 (4) | O1W—H1WA | 0.89 (3) |
| C8—H8 | 0.9500 | O1W—H1WB | 0.86 (2) |
| O11—S1—O13 | 112.83 (16) | C10—C9—H9 | 119.6 |
| O11—S1—O14 | 113.10 (14) | C5—C10—C9 | 117.7 (3) |
| O13—S1—O14 | 111.92 (14) | C5—C10—C11 | 119.2 (3) |
| O11—S1—O12 | 107.66 (17) | C9—C10—C11 | 123.1 (3) |
| O13—S1—O12 | 107.67 (18) | C1—C11—C10 | 119.3 (3) |
| O14—S1—O12 | 102.94 (13) | C1—C11—C12 | 120.5 (3) |
| C11—C1—C2 | 121.3 (3) | C10—C11—C12 | 120.1 (3) |
| C11—C1—H1 | 119.4 | N13—C12—C11 | 121.8 (3) |
| C2—C1—H1 | 119.4 | N13—C12—H12A | 119.1 |
| C3—C2—C1 | 120.5 (3) | C11—C12—H12A | 119.1 |
| C3—C2—H2 | 119.7 | C12—N13—N14 | 114.1 (2) |
| C1—C2—H2 | 119.7 | C15—N14—N13 | 118.3 (2) |
| O4—C3—C2 | 123.5 (3) | C15—N14—H14 | 122 (3) |
| O4—C3—C5 | 116.2 (3) | N13—N14—H14 | 118 (3) |
| C2—C3—C5 | 120.3 (3) | N16—C15—N14 | 120.0 (3) |
| C3—O4—H4O | 117 (4) | N16—C15—S2 | 124.7 (2) |
| C6—C5—C10 | 120.0 (3) | N14—C15—S2 | 115.3 (2) |
| C6—C5—C3 | 120.6 (3) | C15—N16—H16B | 119 (3) |
| C10—C5—C3 | 119.4 (3) | C15—N16—H16A | 120 (3) |
| C7—C6—C5 | 120.3 (3) | H16B—N16—H16A | 120 (4) |
| C7—C6—H6 | 119.9 | S2—C17—H17A | 109.5 |
| C5—C6—H6 | 119.9 | S2—C17—H17B | 109.5 |
| C6—C7—C8 | 120.4 (3) | H17A—C17—H17B | 109.5 |
| C6—C7—H7 | 119.8 | S2—C17—H17C | 109.5 |
| C8—C7—H7 | 119.8 | H17A—C17—H17C | 109.5 |
| C9—C8—C7 | 120.8 (3) | H17B—C17—H17C | 109.5 |
| C9—C8—H8 | 119.6 | C15—S2—C17 | 101.74 (14) |
| C7—C8—H8 | 119.6 | S1—O12—H12O | 114 (3) |
| C8—C9—C10 | 120.7 (3) | H1WA—O1W—H1WB | 108 (5) |
| C8—C9—H9 | 119.6 | ||
| C11—C1—C2—C3 | 1.5 (5) | C8—C9—C10—C5 | −2.5 (4) |
| C1—C2—C3—O4 | 179.6 (3) | C8—C9—C10—C11 | 176.9 (3) |
| C1—C2—C3—C5 | 0.5 (5) | C2—C1—C11—C10 | −2.0 (5) |
| O4—C3—C5—C6 | −2.3 (4) | C2—C1—C11—C12 | 179.9 (3) |
| C2—C3—C5—C6 | 176.9 (3) | C5—C10—C11—C1 | 0.6 (4) |
| O4—C3—C5—C10 | 178.9 (3) | C9—C10—C11—C1 | −178.9 (3) |
| C2—C3—C5—C10 | −1.9 (4) | C5—C10—C11—C12 | 178.6 (3) |
| C10—C5—C6—C7 | 0.2 (4) | C9—C10—C11—C12 | −0.8 (4) |
| C3—C5—C6—C7 | −178.6 (3) | C1—C11—C12—N13 | −8.9 (4) |
| C5—C6—C7—C8 | −2.0 (5) | C10—C11—C12—N13 | 173.1 (3) |
| C6—C7—C8—C9 | 1.5 (5) | C11—C12—N13—N14 | −179.2 (2) |
| C7—C8—C9—C10 | 0.9 (5) | C12—N13—N14—C15 | 179.6 (2) |
| C6—C5—C10—C9 | 2.0 (4) | N13—N14—C15—N16 | 4.2 (4) |
| C3—C5—C10—C9 | −179.2 (3) | N13—N14—C15—S2 | −175.70 (19) |
| C6—C5—C10—C11 | −177.5 (3) | N16—C15—S2—C17 | 7.7 (3) |
| C3—C5—C10—C11 | 1.4 (4) | N14—C15—S2—C17 | −172.4 (2) |