| C1—C12 | 1.5145 (18) | C12—C13 | 1.388 (2) |
| C1—C2 | 1.5228 (17) | C13—C14 | 1.391 (3) |
| C1—S1 | 1.8292 (13) | C13—H13 | 0.9300 |
| C1—H1 | 0.9800 | C14—C15 | 1.368 (3) |
| C2—C3 | 1.5337 (17) | C14—H14 | 0.9300 |
| C2—H2A | 0.9700 | C15—C16 | 1.371 (3) |
| C2—H2B | 0.9700 | C15—H15 | 0.9300 |
| C3—N1 | 1.4937 (15) | C16—C17 | 1.383 (2) |
| C3—C4 | 1.5341 (17) | C16—H16 | 0.9300 |
| C3—S2 | 1.8543 (13) | C17—H17 | 0.9300 |
| C4—C5 | 1.5297 (17) | C18—O1 | 1.2324 (16) |
| C4—H4A | 0.9700 | C18—N1 | 1.3541 (17) |
| C4—H4B | 0.9700 | C18—C19 | 1.4941 (19) |
| C5—C6 | 1.5140 (18) | C19—H19A | 0.9600 |
| C5—S1 | 1.8268 (13) | C19—H19B | 0.9600 |
| C5—H5 | 0.9800 | C19—H19C | 0.9600 |
| C6—C11 | 1.383 (2) | C20—N2 | 1.2742 (17) |
| C6—C7 | 1.3811 (19) | C20—N3 | 1.3808 (16) |
| C7—C8 | 1.391 (3) | C20—S2 | 1.7427 (12) |
| C7—H7 | 0.9300 | C21—O2 | 1.209 (2) |
| C8—C9 | 1.368 (3) | C21—N3 | 1.3577 (19) |
| C8—H8 | 0.9300 | C21—C22 | 1.499 (2) |
| C9—C10 | 1.366 (3) | C22—H22A | 0.9600 |
| C9—H9 | 0.9300 | C22—H22B | 0.9600 |
| C10—C11 | 1.389 (2) | C22—H22C | 0.9600 |
| C10—H10 | 0.9300 | N1—N2 | 1.3924 (14) |
| C11—H11 | 0.9300 | N3—H3 | 0.8600 |
| C12—C17 | 1.384 (2) | ||
| C12—C1—C2 | 114.40 (11) | C17—C12—C13 | 117.78 (14) |
| C12—C1—S1 | 107.39 (8) | C17—C12—C1 | 122.70 (12) |
| C2—C1—S1 | 109.74 (9) | C13—C12—C1 | 119.52 (14) |
| C12—C1—H1 | 108.4 | C12—C13—C14 | 120.71 (17) |
| C2—C1—H1 | 108.4 | C12—C13—H13 | 119.6 |
| S1—C1—H1 | 108.4 | C14—C13—H13 | 119.6 |
| C1—C2—C3 | 112.51 (11) | C15—C14—C13 | 120.66 (16) |
| C1—C2—H2A | 109.1 | C15—C14—H14 | 119.7 |
| C3—C2—H2A | 109.1 | C13—C14—H14 | 119.7 |
| C1—C2—H2B | 109.1 | C14—C15—C16 | 119.07 (16) |
| C3—C2—H2B | 109.1 | C14—C15—H15 | 120.5 |
| H2A—C2—H2B | 107.8 | C16—C15—H15 | 120.5 |
| N1—C3—C4 | 109.89 (10) | C15—C16—C17 | 120.78 (18) |
| N1—C3—C2 | 110.53 (10) | C15—C16—H16 | 119.6 |
| C4—C3—C2 | 113.35 (10) | C17—C16—H16 | 119.6 |
| N1—C3—S2 | 103.09 (8) | C16—C17—C12 | 120.99 (16) |
| C4—C3—S2 | 110.51 (9) | C16—C17—H17 | 119.5 |
| C2—C3—S2 | 108.99 (9) | C12—C17—H17 | 119.5 |
| C5—C4—C3 | 114.11 (10) | O1—C18—N1 | 121.01 (12) |
| C5—C4—H4A | 108.7 | O1—C18—C19 | 121.52 (13) |
| C3—C4—H4A | 108.7 | N1—C18—C19 | 117.46 (12) |
| C5—C4—H4B | 108.7 | C18—C19—H19A | 109.5 |
| C3—C4—H4B | 108.7 | C18—C19—H19B | 109.5 |
| H4A—C4—H4B | 107.6 | H19A—C19—H19B | 109.5 |
| C6—C5—C4 | 111.36 (11) | C18—C19—H19C | 109.5 |
| C6—C5—S1 | 107.98 (9) | H19A—C19—H19C | 109.5 |
| C4—C5—S1 | 111.28 (9) | H19B—C19—H19C | 109.5 |
| C6—C5—H5 | 108.7 | N2—C20—N3 | 118.63 (11) |
| C4—C5—H5 | 108.7 | N2—C20—S2 | 119.44 (9) |
| S1—C5—H5 | 108.7 | N3—C20—S2 | 121.93 (10) |
| C11—C6—C7 | 118.41 (14) | O2—C21—N3 | 121.95 (14) |
| C11—C6—C5 | 120.91 (12) | O2—C21—C22 | 123.48 (16) |
| C7—C6—C5 | 120.67 (13) | N3—C21—C22 | 114.57 (14) |
| C6—C7—C8 | 120.03 (17) | C21—C22—H22A | 109.5 |
| C6—C7—H7 | 120.0 | C21—C22—H22B | 109.5 |
| C8—C7—H7 | 120.0 | H22A—C22—H22B | 109.5 |
| C9—C8—C7 | 120.65 (16) | C21—C22—H22C | 109.5 |
| C9—C8—H8 | 119.7 | H22A—C22—H22C | 109.5 |
| C7—C8—H8 | 119.7 | H22B—C22—H22C | 109.5 |
| C8—C9—C10 | 120.14 (16) | C18—N1—N2 | 118.39 (10) |
| C8—C9—H9 | 119.9 | C18—N1—C3 | 124.27 (10) |
| C10—C9—H9 | 119.9 | N2—N1—C3 | 117.33 (10) |
| C9—C10—C11 | 119.39 (17) | C20—N2—N1 | 110.68 (10) |
| C9—C10—H10 | 120.3 | C21—N3—C20 | 125.43 (12) |
| C11—C10—H10 | 120.3 | C21—N3—H3 | 117.3 |
| C6—C11—C10 | 121.36 (15) | C20—N3—H3 | 117.3 |
| C6—C11—H11 | 119.3 | C5—S1—C1 | 98.36 (6) |
| C10—C11—H11 | 119.3 | C20—S2—C3 | 89.43 (6) |
| C12—C1—C2—C3 | −174.88 (10) | C15—C16—C17—C12 | −0.2 (3) |
| S1—C1—C2—C3 | 64.36 (12) | C13—C12—C17—C16 | 0.9 (2) |
| C1—C2—C3—N1 | 176.11 (10) | C1—C12—C17—C16 | −179.42 (15) |
| C1—C2—C3—C4 | −60.01 (14) | O1—C18—N1—N2 | 178.81 (12) |
| C1—C2—C3—S2 | 63.50 (12) | C19—C18—N1—N2 | −0.07 (18) |
| N1—C3—C4—C5 | −179.06 (10) | O1—C18—N1—C3 | −0.5 (2) |
| C2—C3—C4—C5 | 56.72 (14) | C19—C18—N1—C3 | −179.34 (13) |
| S2—C3—C4—C5 | −65.95 (12) | C4—C3—N1—C18 | −64.69 (15) |
| C3—C4—C5—C6 | −178.82 (11) | C2—C3—N1—C18 | 61.15 (15) |
| C3—C4—C5—S1 | −58.29 (13) | S2—C3—N1—C18 | 177.50 (10) |
| C4—C5—C6—C11 | 65.69 (17) | C4—C3—N1—N2 | 116.04 (12) |
| S1—C5—C6—C11 | −56.76 (15) | C2—C3—N1—N2 | −118.12 (11) |
| C4—C5—C6—C7 | −114.40 (15) | S2—C3—N1—N2 | −1.78 (12) |
| S1—C5—C6—C7 | 123.16 (13) | N3—C20—N2—N1 | 179.47 (11) |
| C11—C6—C7—C8 | −0.5 (2) | S2—C20—N2—N1 | −0.92 (15) |
| C5—C6—C7—C8 | 179.61 (16) | C18—N1—N2—C20 | −177.50 (11) |
| C6—C7—C8—C9 | −0.5 (3) | C3—N1—N2—C20 | 1.82 (15) |
| C7—C8—C9—C10 | 1.2 (3) | O2—C21—N3—C20 | 2.4 (3) |
| C8—C9—C10—C11 | −0.8 (3) | C22—C21—N3—C20 | −177.33 (18) |
| C7—C6—C11—C10 | 0.8 (2) | N2—C20—N3—C21 | −178.11 (15) |
| C5—C6—C11—C10 | −179.28 (14) | S2—C20—N3—C21 | 2.3 (2) |
| C9—C10—C11—C6 | −0.2 (3) | C6—C5—S1—C1 | 178.14 (9) |
| C2—C1—C12—C17 | −11.55 (19) | C4—C5—S1—C1 | 55.64 (10) |
| S1—C1—C12—C17 | 110.50 (14) | C12—C1—S1—C5 | 176.47 (9) |
| C2—C1—C12—C13 | 168.17 (13) | C2—C1—S1—C5 | −58.62 (10) |
| S1—C1—C12—C13 | −69.78 (15) | N2—C20—S2—C3 | −0.11 (11) |
| C17—C12—C13—C14 | −0.6 (2) | N3—C20—S2—C3 | 179.49 (11) |
| C1—C12—C13—C14 | 179.65 (15) | N1—C3—S2—C20 | 0.98 (8) |
| C12—C13—C14—C15 | −0.3 (3) | C4—C3—S2—C20 | −116.40 (9) |
| C13—C14—C15—C16 | 1.0 (3) | C2—C3—S2—C20 | 118.42 (9) |
| C14—C15—C16—C17 | −0.8 (3) |