| S1—O1 | 1.428 (2) | C16—H16B | 0.9600 | 
| S1—O2 | 1.438 (2) | C16—H16C | 0.9600 | 
| S1—C8 | 1.771 (3) | C17—H17A | 0.9700 | 
| S1—C10 | 1.755 (3) | C17—H17B | 0.9700 | 
| N1—C1 | 1.366 (4) | C17—C18 | 1.518 (4) | 
| N1—C9 | 1.306 (4) | C18—H18A | 0.9700 | 
| N2—C7 | 1.419 (3) | C18—H18B | 0.9700 | 
| N2—C17 | 1.469 (3) | C18—C19 | 1.523 (4) | 
| N2—C21 | 1.476 (3) | C19—H19 | 0.9800 | 
| C1—C2 | 1.407 (4) | C19—C20 | 1.512 (4) | 
| C1—C6 | 1.412 (4) | C19—C22 | 1.494 (3) | 
| C2—H2 | 0.9300 | C20—H20A | 0.9700 | 
| C2—C3 | 1.367 (5) | C20—H20B | 0.9700 | 
| C3—H3 | 0.9300 | C20—C21 | 1.514 (4) | 
| C3—C4 | 1.384 (5) | C21—H21A | 0.9700 | 
| C4—H4 | 0.9300 | C21—H21B | 0.9700 | 
| C4—C5 | 1.364 (4) | C22—O3A | 1.191 (5) | 
| C5—H5 | 0.9300 | C22—O4A | 1.340 (4) | 
| C5—C6 | 1.405 (4) | C22—O3B | 1.194 (5) | 
| C6—C7 | 1.431 (4) | C22—O4B | 1.334 (5) | 
| C7—C8 | 1.381 (4) | O4A—C23A | 1.464 (5) | 
| C8—C9 | 1.417 (4) | C23A—H23A | 0.9700 | 
| C9—H9 | 0.9300 | C23A—H23B | 0.9700 | 
| C10—C11 | 1.381 (4) | C23A—C24A | 1.502 (5) | 
| C10—C15 | 1.383 (4) | C24A—H24A | 0.9600 | 
| C11—H11 | 0.9300 | C24A—H24B | 0.9600 | 
| C11—C12 | 1.387 (4) | C24A—H24C | 0.9600 | 
| C12—H12 | 0.9300 | O4B—C23B | 1.462 (5) | 
| C12—C13 | 1.382 (4) | C23B—H23C | 0.9700 | 
| C13—C14 | 1.383 (4) | C23B—H23D | 0.9700 | 
| C13—C16 | 1.501 (4) | C23B—C24B | 1.506 (5) | 
| C14—H14 | 0.9300 | C24B—H24D | 0.9600 | 
| C14—C15 | 1.373 (4) | C24B—H24E | 0.9600 | 
| C15—H15 | 0.9300 | C24B—H24F | 0.9600 | 
| C16—H16A | 0.9600 | ||
| O1—S1—O2 | 117.38 (14) | N2—C17—H17B | 109.7 | 
| O1—S1—C8 | 111.76 (13) | N2—C17—C18 | 109.8 (2) | 
| O1—S1—C10 | 109.63 (13) | H17A—C17—H17B | 108.2 | 
| O2—S1—C8 | 104.97 (13) | C18—C17—H17A | 109.7 | 
| O2—S1—C10 | 106.93 (13) | C18—C17—H17B | 109.7 | 
| C10—S1—C8 | 105.39 (13) | C17—C18—H18A | 109.4 | 
| C9—N1—C1 | 116.9 (3) | C17—C18—H18B | 109.4 | 
| C7—N2—C17 | 114.9 (2) | C17—C18—C19 | 111.2 (2) | 
| C7—N2—C21 | 117.0 (2) | H18A—C18—H18B | 108.0 | 
| C17—N2—C21 | 113.5 (2) | C19—C18—H18A | 109.4 | 
| N1—C1—C2 | 116.7 (3) | C19—C18—H18B | 109.4 | 
| N1—C1—C6 | 123.1 (3) | C18—C19—H19 | 107.7 | 
| C2—C1—C6 | 120.1 (3) | C20—C19—C18 | 109.5 (2) | 
| C1—C2—H2 | 119.8 | C20—C19—H19 | 107.7 | 
| C3—C2—C1 | 120.4 (3) | C22—C19—C18 | 112.9 (3) | 
| C3—C2—H2 | 119.8 | C22—C19—H19 | 107.7 | 
| C2—C3—H3 | 120.1 | C22—C19—C20 | 111.1 (2) | 
| C2—C3—C4 | 119.8 (3) | C19—C20—H20A | 109.4 | 
| C4—C3—H3 | 120.1 | C19—C20—H20B | 109.4 | 
| C3—C4—H4 | 119.5 | C19—C20—C21 | 111.3 (2) | 
| C5—C4—C3 | 120.9 (3) | H20A—C20—H20B | 108.0 | 
| C5—C4—H4 | 119.5 | C21—C20—H20A | 109.4 | 
| C4—C5—H5 | 119.3 | C21—C20—H20B | 109.4 | 
| C4—C5—C6 | 121.4 (3) | N2—C21—C20 | 109.8 (2) | 
| C6—C5—H5 | 119.3 | N2—C21—H21A | 109.7 | 
| C1—C6—C7 | 118.5 (3) | N2—C21—H21B | 109.7 | 
| C5—C6—C1 | 117.3 (3) | C20—C21—H21A | 109.7 | 
| C5—C6—C7 | 124.2 (3) | C20—C21—H21B | 109.7 | 
| N2—C7—C6 | 124.0 (2) | H21A—C21—H21B | 108.2 | 
| C8—C7—N2 | 119.2 (2) | O3A—C22—C19 | 124.7 (8) | 
| C8—C7—C6 | 116.8 (2) | O3A—C22—O4A | 123.3 (9) | 
| C7—C8—S1 | 123.0 (2) | O4A—C22—C19 | 111.9 (4) | 
| C7—C8—C9 | 119.7 (3) | O3B—C22—C19 | 129.6 (13) | 
| C9—C8—S1 | 117.3 (2) | O3B—C22—O4B | 116.4 (14) | 
| N1—C9—C8 | 124.6 (3) | O4B—C22—C19 | 113.9 (5) | 
| N1—C9—H9 | 117.7 | C22—O4A—C23A | 123.1 (7) | 
| C8—C9—H9 | 117.7 | O4A—C23A—H23A | 110.5 | 
| C11—C10—S1 | 120.9 (2) | O4A—C23A—H23B | 110.5 | 
| C11—C10—C15 | 120.0 (3) | O4A—C23A—C24A | 106.0 (8) | 
| C15—C10—S1 | 118.9 (2) | H23A—C23A—H23B | 108.7 | 
| C10—C11—H11 | 120.3 | C24A—C23A—H23A | 110.5 | 
| C10—C11—C12 | 119.5 (3) | C24A—C23A—H23B | 110.5 | 
| C12—C11—H11 | 120.3 | C23A—C24A—H24A | 109.5 | 
| C11—C12—H12 | 119.4 | C23A—C24A—H24B | 109.5 | 
| C13—C12—C11 | 121.3 (3) | C23A—C24A—H24C | 109.5 | 
| C13—C12—H12 | 119.4 | H24A—C24A—H24B | 109.5 | 
| C12—C13—C14 | 118.0 (3) | H24A—C24A—H24C | 109.5 | 
| C12—C13—C16 | 120.7 (3) | H24B—C24A—H24C | 109.5 | 
| C14—C13—C16 | 121.4 (3) | C22—O4B—C23B | 107.5 (9) | 
| C13—C14—H14 | 119.1 | O4B—C23B—H23C | 111.1 | 
| C15—C14—C13 | 121.8 (3) | O4B—C23B—H23D | 111.1 | 
| C15—C14—H14 | 119.1 | O4B—C23B—C24B | 103.2 (8) | 
| C10—C15—H15 | 120.3 | H23C—C23B—H23D | 109.1 | 
| C14—C15—C10 | 119.4 (3) | C24B—C23B—H23C | 111.1 | 
| C14—C15—H15 | 120.3 | C24B—C23B—H23D | 111.1 | 
| C13—C16—H16A | 109.5 | C23B—C24B—H24D | 109.5 | 
| C13—C16—H16B | 109.5 | C23B—C24B—H24E | 109.5 | 
| C13—C16—H16C | 109.5 | C23B—C24B—H24F | 109.5 | 
| H16A—C16—H16B | 109.5 | H24D—C24B—H24E | 109.5 | 
| H16A—C16—H16C | 109.5 | H24D—C24B—H24F | 109.5 | 
| H16B—C16—H16C | 109.5 | H24E—C24B—H24F | 109.5 | 
| N2—C17—H17A | 109.7 | ||
| S1—C8—C9—N1 | −175.8 (2) | C9—N1—C1—C2 | −179.0 (3) | 
| S1—C10—C11—C12 | 175.7 (2) | C9—N1—C1—C6 | 0.5 (4) | 
| S1—C10—C15—C14 | −176.9 (3) | C10—S1—C8—C7 | −71.5 (3) | 
| O1—S1—C8—C7 | 47.6 (3) | C10—S1—C8—C9 | 106.4 (2) | 
| O1—S1—C8—C9 | −134.6 (2) | C10—C11—C12—C13 | 0.5 (5) | 
| O1—S1—C10—C11 | 4.5 (3) | C11—C10—C15—C14 | −1.9 (5) | 
| O1—S1—C10—C15 | 179.5 (2) | C11—C12—C13—C14 | −0.6 (5) | 
| O2—S1—C8—C7 | 175.8 (2) | C11—C12—C13—C16 | 179.5 (3) | 
| O2—S1—C8—C9 | −6.4 (3) | C12—C13—C14—C15 | −0.5 (5) | 
| O2—S1—C10—C11 | −123.7 (2) | C13—C14—C15—C10 | 1.7 (5) | 
| O2—S1—C10—C15 | 51.3 (3) | C15—C10—C11—C12 | 0.8 (4) | 
| N1—C1—C2—C3 | 176.8 (3) | C16—C13—C14—C15 | 179.4 (3) | 
| N1—C1—C6—C5 | −175.5 (3) | C17—N2—C7—C6 | 83.1 (3) | 
| N1—C1—C6—C7 | 4.2 (4) | C17—N2—C7—C8 | −98.2 (3) | 
| N2—C7—C8—S1 | 1.7 (4) | C17—N2—C21—C20 | 57.5 (3) | 
| N2—C7—C8—C9 | −176.1 (2) | C17—C18—C19—C20 | −55.7 (3) | 
| N2—C17—C18—C19 | 55.9 (3) | C17—C18—C19—C22 | 179.8 (2) | 
| C1—N1—C9—C8 | −3.7 (5) | C18—C19—C20—C21 | 55.9 (3) | 
| C1—C2—C3—C4 | −1.0 (5) | C18—C19—C22—O3A | 117.3 (10) | 
| C1—C6—C7—N2 | 173.2 (2) | C18—C19—C22—O4A | −61.1 (6) | 
| C1—C6—C7—C8 | −5.5 (4) | C18—C19—C22—O3B | 143.1 (14) | 
| C2—C1—C6—C5 | 3.9 (4) | C18—C19—C22—O4B | −32.5 (9) | 
| C2—C1—C6—C7 | −176.4 (3) | C19—C20—C21—N2 | −56.2 (4) | 
| C2—C3—C4—C5 | 3.3 (5) | C19—C22—O4A—C23A | −178.2 (7) | 
| C3—C4—C5—C6 | −1.9 (5) | C19—C22—O4B—C23B | −177.9 (9) | 
| C4—C5—C6—C1 | −1.7 (5) | C20—C19—C22—O3A | −6.2 (11) | 
| C4—C5—C6—C7 | 178.7 (3) | C20—C19—C22—O4A | 175.4 (5) | 
| C5—C6—C7—N2 | −7.1 (4) | C20—C19—C22—O3B | 19.6 (15) | 
| C5—C6—C7—C8 | 174.1 (3) | C20—C19—C22—O4B | −156.0 (9) | 
| C6—C1—C2—C3 | −2.6 (5) | C21—N2—C7—C6 | −53.7 (4) | 
| C6—C7—C8—S1 | −179.56 (19) | C21—N2—C7—C8 | 124.9 (3) | 
| C6—C7—C8—C9 | 2.7 (4) | C21—N2—C17—C18 | −57.4 (3) | 
| C7—N2—C17—C18 | 164.2 (2) | C22—C19—C20—C21 | −178.7 (3) | 
| C7—N2—C21—C20 | −165.0 (2) | C22—O4A—C23A—C24A | −98.1 (14) | 
| C7—C8—C9—N1 | 2.1 (5) | C22—O4B—C23B—C24B | 150 (2) | 
| C8—S1—C10—C11 | 124.9 (2) | O3A—C22—O4A—C23A | 3.4 (14) | 
| C8—S1—C10—C15 | −60.1 (3) | O3B—C22—O4B—C23B | 5.9 (17) |