| S1—O1 | 1.4345 (17) | C10—C11 | 1.546 (3) |
| S1—O2 | 1.4414 (17) | C10—H10 | 1.0000 |
| S1—N3 | 1.613 (2) | C11—C12 | 1.518 (3) |
| S1—C21 | 1.759 (2) | C11—H11 | 1.0000 |
| O3—C24 | 1.493 (4) | C12—C17 | 1.393 (3) |
| O3—H3o | 0.839 (10) | C12—C13 | 1.389 (3) |
| N1—C1 | 1.285 (3) | C13—C14 | 1.368 (4) |
| N1—N2 | 1.393 (3) | C13—H13 | 0.9500 |
| N2—C18 | 1.370 (3) | C14—C15 | 1.384 (4) |
| N2—C11 | 1.483 (3) | C14—H14 | 0.9500 |
| N3—H1n | 0.873 (10) | C15—C16 | 1.390 (4) |
| N3—H2n | 0.877 (10) | C15—H15 | 0.9500 |
| C1—C2 | 1.459 (3) | C16—C17 | 1.381 (4) |
| C1—C10 | 1.518 (3) | C16—H16 | 0.9500 |
| C2—C3 | 1.396 (3) | C17—H17 | 0.9500 |
| C2—C7 | 1.406 (3) | C18—C23 | 1.398 (3) |
| C3—C4 | 1.373 (3) | C18—C19 | 1.409 (3) |
| C3—H3 | 0.9500 | C19—C20 | 1.375 (3) |
| C4—C5 | 1.397 (3) | C19—H19 | 0.9500 |
| C4—H4 | 0.9500 | C20—C21 | 1.398 (3) |
| C5—C6 | 1.375 (4) | C20—H20 | 0.9500 |
| C5—H5 | 0.9500 | C21—C22 | 1.384 (3) |
| C6—C7 | 1.398 (3) | C22—C23 | 1.386 (3) |
| C6—H6 | 0.9500 | C22—H22 | 0.9500 |
| C7—C8 | 1.512 (3) | C23—H23 | 0.9500 |
| C8—C9 | 1.522 (4) | C24—C25 | 1.457 (5) |
| C8—H8A | 0.9900 | C24—H24A | 0.9900 |
| C8—H8B | 0.9900 | C24—H24B | 0.9900 |
| C9—C10 | 1.515 (3) | C25—H25A | 0.9800 |
| C9—H9A | 0.9900 | C25—H25B | 0.9800 |
| C9—H9B | 0.9900 | C25—H25C | 0.9800 |
| O1—S1—O2 | 119.27 (10) | N2—C11—C10 | 100.52 (18) |
| O1—S1—N3 | 106.86 (11) | C12—C11—C10 | 116.95 (19) |
| O2—S1—N3 | 106.42 (11) | N2—C11—H11 | 109.0 |
| O1—S1—C21 | 107.25 (10) | C12—C11—H11 | 109.0 |
| O2—S1—C21 | 107.81 (10) | C10—C11—H11 | 109.0 |
| N3—S1—C21 | 108.93 (10) | C17—C12—C13 | 118.7 (2) |
| C24—O3—H3o | 114 (2) | C17—C12—C11 | 119.3 (2) |
| C1—N1—N2 | 107.35 (18) | C13—C12—C11 | 121.9 (2) |
| C18—N2—N1 | 120.57 (17) | C14—C13—C12 | 120.9 (2) |
| C18—N2—C11 | 126.45 (18) | C14—C13—H13 | 119.5 |
| N1—N2—C11 | 112.97 (16) | C12—C13—H13 | 119.5 |
| S1—N3—H1n | 111 (2) | C13—C14—C15 | 120.5 (3) |
| S1—N3—H2n | 110.5 (17) | C13—C14—H14 | 119.8 |
| H1n—N3—H2n | 121 (3) | C15—C14—H14 | 119.8 |
| N1—C1—C2 | 124.7 (2) | C14—C15—C16 | 119.4 (3) |
| N1—C1—C10 | 114.3 (2) | C14—C15—H15 | 120.3 |
| C2—C1—C10 | 120.91 (19) | C16—C15—H15 | 120.3 |
| C3—C2—C7 | 120.3 (2) | C17—C16—C15 | 120.1 (3) |
| C3—C2—C1 | 121.89 (19) | C17—C16—H16 | 119.9 |
| C7—C2—C1 | 117.8 (2) | C15—C16—H16 | 119.9 |
| C4—C3—C2 | 120.6 (2) | C16—C17—C12 | 120.4 (3) |
| C4—C3—H3 | 119.7 | C16—C17—H17 | 119.8 |
| C2—C3—H3 | 119.7 | C12—C17—H17 | 119.8 |
| C3—C4—C5 | 119.6 (2) | N2—C18—C23 | 120.35 (19) |
| C3—C4—H4 | 120.2 | N2—C18—C19 | 120.88 (19) |
| C5—C4—H4 | 120.2 | C23—C18—C19 | 118.76 (19) |
| C6—C5—C4 | 120.1 (2) | C20—C19—C18 | 120.3 (2) |
| C6—C5—H5 | 120.0 | C20—C19—H19 | 119.9 |
| C4—C5—H5 | 120.0 | C18—C19—H19 | 119.9 |
| C5—C6—C7 | 121.5 (2) | C19—C20—C21 | 120.4 (2) |
| C5—C6—H6 | 119.3 | C19—C20—H20 | 119.8 |
| C7—C6—H6 | 119.3 | C21—C20—H20 | 119.8 |
| C6—C7—C2 | 117.9 (2) | C22—C21—C20 | 119.90 (19) |
| C6—C7—C8 | 120.8 (2) | C22—C21—S1 | 120.66 (17) |
| C2—C7—C8 | 121.4 (2) | C20—C21—S1 | 119.44 (16) |
| C7—C8—C9 | 113.95 (19) | C21—C22—C23 | 120.0 (2) |
| C7—C8—H8A | 108.8 | C21—C22—H22 | 120.0 |
| C9—C8—H8A | 108.8 | C23—C22—H22 | 120.0 |
| C7—C8—H8B | 108.8 | C22—C23—C18 | 120.6 (2) |
| C9—C8—H8B | 108.8 | C22—C23—H23 | 119.7 |
| H8A—C8—H8B | 107.7 | C18—C23—H23 | 119.7 |
| C10—C9—C8 | 109.0 (2) | C25—C24—O3 | 113.2 (3) |
| C10—C9—H9A | 109.9 | C25—C24—H24A | 108.9 |
| C8—C9—H9A | 109.9 | O3—C24—H24A | 108.9 |
| C10—C9—H9B | 109.9 | C25—C24—H24B | 108.9 |
| C8—C9—H9B | 109.9 | O3—C24—H24B | 108.9 |
| H9A—C9—H9B | 108.3 | H24A—C24—H24B | 107.7 |
| C9—C10—C1 | 108.90 (19) | C24—C25—H25A | 109.5 |
| C9—C10—C11 | 121.0 (2) | C24—C25—H25B | 109.5 |
| C1—C10—C11 | 101.19 (17) | H25A—C25—H25B | 109.5 |
| C9—C10—H10 | 108.4 | C24—C25—H25C | 109.5 |
| C1—C10—H10 | 108.4 | H25A—C25—H25C | 109.5 |
| C11—C10—H10 | 108.4 | H25B—C25—H25C | 109.5 |
| N2—C11—C12 | 111.94 (19) | ||
| C1—N1—N2—C18 | 172.3 (2) | C9—C10—C11—C12 | −16.4 (3) |
| C1—N1—N2—C11 | −8.9 (2) | C1—C10—C11—C12 | 103.9 (2) |
| N2—N1—C1—C2 | 177.9 (2) | N2—C11—C12—C17 | −153.5 (2) |
| N2—N1—C1—C10 | −4.5 (3) | C10—C11—C12—C17 | 91.3 (3) |
| N1—C1—C2—C3 | 5.3 (3) | N2—C11—C12—C13 | 27.2 (3) |
| C10—C1—C2—C3 | −172.2 (2) | C10—C11—C12—C13 | −88.0 (3) |
| N1—C1—C2—C7 | −174.8 (2) | C17—C12—C13—C14 | 0.5 (4) |
| C10—C1—C2—C7 | 7.8 (3) | C11—C12—C13—C14 | 179.8 (2) |
| C7—C2—C3—C4 | −1.3 (3) | C12—C13—C14—C15 | −1.0 (4) |
| C1—C2—C3—C4 | 178.6 (2) | C13—C14—C15—C16 | 0.1 (5) |
| C2—C3—C4—C5 | −0.3 (3) | C14—C15—C16—C17 | 1.3 (5) |
| C3—C4—C5—C6 | 0.8 (4) | C15—C16—C17—C12 | −1.8 (5) |
| C4—C5—C6—C7 | 0.3 (4) | C13—C12—C17—C16 | 0.9 (4) |
| C5—C6—C7—C2 | −1.9 (4) | C11—C12—C17—C16 | −178.5 (2) |
| C5—C6—C7—C8 | 178.5 (2) | N1—N2—C18—C23 | −179.40 (19) |
| C3—C2—C7—C6 | 2.3 (3) | C11—N2—C18—C23 | 2.0 (3) |
| C1—C2—C7—C6 | −177.6 (2) | N1—N2—C18—C19 | −0.6 (3) |
| C3—C2—C7—C8 | −178.0 (2) | C11—N2—C18—C19 | −179.3 (2) |
| C1—C2—C7—C8 | 2.1 (3) | N2—C18—C19—C20 | −177.0 (2) |
| C6—C7—C8—C9 | −159.6 (2) | C23—C18—C19—C20 | 1.8 (3) |
| C2—C7—C8—C9 | 20.8 (3) | C18—C19—C20—C21 | −0.3 (3) |
| C7—C8—C9—C10 | −51.6 (3) | C19—C20—C21—C22 | −0.9 (3) |
| C8—C9—C10—C1 | 58.8 (3) | C19—C20—C21—S1 | 179.81 (17) |
| C8—C9—C10—C11 | 175.3 (2) | O1—S1—C21—C22 | 12.3 (2) |
| N1—C1—C10—C9 | 143.4 (2) | O2—S1—C21—C22 | 141.86 (18) |
| C2—C1—C10—C9 | −38.9 (3) | N3—S1—C21—C22 | −103.05 (19) |
| N1—C1—C10—C11 | 14.9 (3) | O1—S1—C21—C20 | −168.51 (17) |
| C2—C1—C10—C11 | −167.4 (2) | O2—S1—C21—C20 | −38.9 (2) |
| C18—N2—C11—C12 | 71.2 (3) | N3—S1—C21—C20 | 76.2 (2) |
| N1—N2—C11—C12 | −107.5 (2) | C20—C21—C22—C23 | 0.7 (3) |
| C18—N2—C11—C10 | −163.9 (2) | S1—C21—C22—C23 | 179.98 (17) |
| N1—N2—C11—C10 | 17.4 (2) | C21—C22—C23—C18 | 0.7 (3) |
| C9—C10—C11—N2 | −137.8 (2) | N2—C18—C23—C22 | 176.8 (2) |
| C1—C10—C11—N2 | −17.5 (2) | C19—C18—C23—C22 | −2.0 (3) |