| S1—C5 | 1.737 (4) | C8—H8A | 0.9600 |
| S1—C11 | 1.802 (4) | C8—H8B | 0.9600 |
| S2—C14 | 1.778 (5) | C8—H8C | 0.9600 |
| S2—C16 | 1.807 (7) | C9—H9A | 0.9600 |
| O1—C1 | 1.197 (5) | C9—H9B | 0.9600 |
| O2—C7 | 1.409 (5) | C9—H9C | 0.9600 |
| O2—H2A | 0.8200 | C11—C13 | 1.544 (7) |
| O3—C10 | 1.196 (5) | C11—C12 | 1.546 (6) |
| O4—C10 | 1.354 (5) | C11—H11A | 0.9800 |
| O4—C17 | 1.433 (6) | C12—H12A | 0.9700 |
| O5—C18 | 1.323 (7) | C12—H12B | 0.9700 |
| O5—C17 | 1.370 (7) | C13—H13A | 0.9700 |
| O6—C18 | 1.198 (7) | C13—H13B | 0.9700 |
| N1—C1 | 1.413 (5) | C15—C16 | 1.480 (11) |
| N1—C6 | 1.414 (6) | C15—H15A | 0.9700 |
| N1—C3 | 1.477 (5) | C15—H15B | 0.9700 |
| N2—C14 | 1.319 (6) | C16—H16A | 0.9700 |
| N2—C12 | 1.468 (6) | C16—H16B | 0.9700 |
| N2—C13 | 1.476 (6) | C17—H17A | 0.9700 |
| N3—C14 | 1.258 (6) | C17—H17B | 0.9700 |
| N3—C15 | 1.481 (7) | C18—C19 | 1.523 (8) |
| C1—C2 | 1.527 (6) | C19—C21 | 1.479 (10) |
| C2—C7 | 1.500 (6) | C19—C20 | 1.483 (15) |
| C2—C3 | 1.549 (5) | C19—C22 | 1.499 (13) |
| C2—H2B | 0.9800 | C20—H20A | 0.9600 |
| C3—C4 | 1.551 (6) | C20—H20B | 0.9600 |
| C3—H3B | 0.9800 | C20—H20C | 0.9600 |
| C4—C9 | 1.527 (7) | C21—H21A | 0.9600 |
| C4—C5 | 1.528 (6) | C21—H21B | 0.9600 |
| C4—H4A | 0.9800 | C21—H21C | 0.9600 |
| C5—C6 | 1.342 (6) | C22—H22A | 0.9600 |
| C6—C10 | 1.466 (6) | C22—H22B | 0.9600 |
| C7—C8 | 1.512 (6) | C22—H22C | 0.9600 |
| C7—H7A | 0.9800 | ||
| C5—S1—C11 | 102.76 (19) | C13—C11—H11A | 114.7 |
| C14—S2—C16 | 88.8 (3) | C12—C11—H11A | 114.7 |
| C7—O2—H2A | 109.5 | S1—C11—H11A | 114.7 |
| C10—O4—C17 | 116.1 (4) | N2—C12—C11 | 88.2 (3) |
| C18—O5—C17 | 120.2 (5) | N2—C12—H12A | 114.0 |
| C1—N1—C6 | 132.4 (3) | C11—C12—H12A | 114.0 |
| C1—N1—C3 | 93.1 (3) | N2—C12—H12B | 114.0 |
| C6—N1—C3 | 108.6 (3) | C11—C12—H12B | 114.0 |
| C14—N2—C12 | 128.7 (4) | H12A—C12—H12B | 111.2 |
| C14—N2—C13 | 130.5 (5) | N2—C13—C11 | 88.0 (4) |
| C12—N2—C13 | 92.8 (4) | N2—C13—H13A | 114.0 |
| C14—N3—C15 | 111.1 (5) | C11—C13—H13A | 114.0 |
| O1—C1—N1 | 131.4 (4) | N2—C13—H13B | 114.0 |
| O1—C1—C2 | 136.6 (4) | C11—C13—H13B | 114.0 |
| N1—C1—C2 | 91.9 (3) | H13A—C13—H13B | 111.2 |
| C7—C2—C1 | 118.6 (3) | N3—C14—N2 | 124.9 (5) |
| C7—C2—C3 | 117.9 (3) | N3—C14—S2 | 117.5 (4) |
| C1—C2—C3 | 86.1 (3) | N2—C14—S2 | 117.3 (4) |
| C7—C2—H2B | 110.7 | N3—C15—C16 | 111.0 (6) |
| C1—C2—H2B | 110.7 | N3—C15—H15A | 109.4 |
| C3—C2—H2B | 110.7 | C16—C15—H15A | 109.4 |
| N1—C3—C2 | 88.6 (3) | N3—C15—H15B | 109.4 |
| N1—C3—C4 | 104.6 (3) | C16—C15—H15B | 109.4 |
| C2—C3—C4 | 123.7 (3) | H15A—C15—H15B | 108.0 |
| N1—C3—H3B | 112.2 | C15—C16—S2 | 105.3 (5) |
| C2—C3—H3B | 112.2 | C15—C16—H16A | 110.7 |
| C4—C3—H3B | 112.2 | S2—C16—H16A | 110.7 |
| C9—C4—C5 | 109.9 (4) | C15—C16—H16B | 110.7 |
| C9—C4—C3 | 115.8 (4) | S2—C16—H16B | 110.7 |
| C5—C4—C3 | 100.8 (3) | H16A—C16—H16B | 108.8 |
| C9—C4—H4A | 110.0 | O5—C17—O4 | 108.0 (4) |
| C5—C4—H4A | 110.0 | O5—C17—H17A | 110.1 |
| C3—C4—H4A | 110.0 | O4—C17—H17A | 110.1 |
| C6—C5—C4 | 110.6 (4) | O5—C17—H17B | 110.1 |
| C6—C5—S1 | 125.5 (3) | O4—C17—H17B | 110.1 |
| C4—C5—S1 | 123.7 (3) | H17A—C17—H17B | 108.4 |
| C5—C6—N1 | 110.9 (3) | O6—C18—O5 | 120.9 (6) |
| C5—C6—C10 | 125.1 (4) | O6—C18—C19 | 126.3 (6) |
| N1—C6—C10 | 124.0 (3) | O5—C18—C19 | 112.8 (5) |
| O2—C7—C2 | 107.8 (3) | C21—C19—C20 | 113.4 (9) |
| O2—C7—C8 | 111.5 (4) | C21—C19—C22 | 111.2 (10) |
| C2—C7—C8 | 111.3 (4) | C20—C19—C22 | 105.0 (9) |
| O2—C7—H7A | 108.7 | C21—C19—C18 | 108.6 (7) |
| C2—C7—H7A | 108.7 | C20—C19—C18 | 113.3 (8) |
| C8—C7—H7A | 108.7 | C22—C19—C18 | 105.0 (6) |
| C7—C8—H8A | 109.5 | C19—C20—H20A | 109.5 |
| C7—C8—H8B | 109.5 | C19—C20—H20B | 109.5 |
| H8A—C8—H8B | 109.5 | H20A—C20—H20B | 109.5 |
| C7—C8—H8C | 109.5 | C19—C20—H20C | 109.5 |
| H8A—C8—H8C | 109.5 | H20A—C20—H20C | 109.5 |
| H8B—C8—H8C | 109.5 | H20B—C20—H20C | 109.5 |
| C4—C9—H9A | 109.5 | C19—C21—H21A | 109.5 |
| C4—C9—H9B | 109.5 | C19—C21—H21B | 109.5 |
| H9A—C9—H9B | 109.5 | H21A—C21—H21B | 109.5 |
| C4—C9—H9C | 109.5 | C19—C21—H21C | 109.5 |
| H9A—C9—H9C | 109.5 | H21A—C21—H21C | 109.5 |
| H9B—C9—H9C | 109.5 | H21B—C21—H21C | 109.5 |
| O3—C10—O4 | 123.8 (4) | C19—C22—H22A | 109.5 |
| O3—C10—C6 | 124.3 (4) | C19—C22—H22B | 109.5 |
| O4—C10—C6 | 111.9 (4) | H22A—C22—H22B | 109.5 |
| C13—C11—C12 | 87.3 (3) | C19—C22—H22C | 109.5 |
| C13—C11—S1 | 114.7 (3) | H22A—C22—H22C | 109.5 |
| C12—C11—S1 | 107.7 (3) | H22B—C22—H22C | 109.5 |
| C6—N1—C1—O1 | −56.9 (7) | C17—O4—C10—O3 | 8.5 (6) |
| C3—N1—C1—O1 | −175.8 (5) | C17—O4—C10—C6 | −173.7 (4) |
| C6—N1—C1—C2 | 122.9 (4) | C5—C6—C10—O3 | 7.5 (6) |
| C3—N1—C1—C2 | 4.0 (3) | N1—C6—C10—O3 | −173.8 (4) |
| O1—C1—C2—C7 | −64.2 (7) | C5—C6—C10—O4 | −170.2 (4) |
| N1—C1—C2—C7 | 116.0 (4) | N1—C6—C10—O4 | 8.4 (5) |
| O1—C1—C2—C3 | 176.0 (6) | C5—S1—C11—C13 | −61.7 (3) |
| N1—C1—C2—C3 | −3.8 (3) | C5—S1—C11—C12 | −156.9 (3) |
| C1—N1—C3—C2 | −3.9 (3) | C14—N2—C12—C11 | 165.7 (6) |
| C6—N1—C3—C2 | −140.9 (3) | C13—N2—C12—C11 | 15.0 (4) |
| C1—N1—C3—C4 | 120.6 (3) | C13—C11—C12—N2 | −14.4 (4) |
| C6—N1—C3—C4 | −16.3 (4) | S1—C11—C12—N2 | 100.7 (4) |
| C7—C2—C3—N1 | −116.8 (4) | C14—N2—C13—C11 | −164.9 (6) |
| C1—C2—C3—N1 | 3.7 (3) | C12—N2—C13—C11 | −15.1 (4) |
| C7—C2—C3—C4 | 136.5 (4) | C12—C11—C13—N2 | 14.3 (4) |
| C1—C2—C3—C4 | −103.1 (4) | S1—C11—C13—N2 | −93.9 (4) |
| N1—C3—C4—C9 | −98.4 (5) | C15—N3—C14—N2 | 172.4 (7) |
| C2—C3—C4—C9 | −0.1 (6) | C15—N3—C14—S2 | −0.9 (7) |
| N1—C3—C4—C5 | 20.2 (4) | C12—N2—C14—N3 | 21.4 (9) |
| C2—C3—C4—C5 | 118.5 (4) | C13—N2—C14—N3 | 161.4 (5) |
| C9—C4—C5—C6 | 104.1 (4) | C12—N2—C14—S2 | −165.3 (4) |
| C3—C4—C5—C6 | −18.6 (4) | C13—N2—C14—S2 | −25.3 (8) |
| C9—C4—C5—S1 | −71.2 (5) | C16—S2—C14—N3 | −12.7 (5) |
| C3—C4—C5—S1 | 166.1 (3) | C16—S2—C14—N2 | 173.4 (5) |
| C11—S1—C5—C6 | 156.3 (3) | C14—N3—C15—C16 | 18.3 (10) |
| C11—S1—C5—C4 | −29.1 (4) | N3—C15—C16—S2 | −26.1 (10) |
| C4—C5—C6—N1 | 9.5 (4) | C14—S2—C16—C15 | 21.0 (7) |
| S1—C5—C6—N1 | −175.3 (3) | C18—O5—C17—O4 | −80.2 (6) |
| C4—C5—C6—C10 | −171.7 (4) | C10—O4—C17—O5 | 143.8 (4) |
| S1—C5—C6—C10 | 3.5 (5) | C17—O5—C18—O6 | −0.7 (9) |
| C1—N1—C6—C5 | −108.0 (4) | C17—O5—C18—C19 | −179.7 (5) |
| C3—N1—C6—C5 | 4.8 (4) | O6—C18—C19—C21 | −21.0 (12) |
| C1—N1—C6—C10 | 73.2 (5) | O5—C18—C19—C21 | 158.0 (9) |
| C3—N1—C6—C10 | −174.1 (3) | O6—C18—C19—C20 | −148.0 (9) |
| C1—C2—C7—O2 | −50.0 (5) | O5—C18—C19—C20 | 31.0 (10) |
| C3—C2—C7—O2 | 51.5 (5) | O6—C18—C19—C22 | 98.0 (9) |
| C1—C2—C7—C8 | −172.6 (4) | O5—C18—C19—C22 | −83.0 (8) |
| C3—C2—C7—C8 | −71.1 (5) |