| O1—C1 | 1.2099 (17) | C9—H9A | 0.9900 |
| O2—C8 | 1.2131 (17) | C9—H9B | 0.9900 |
| O3—C13 | 1.2115 (17) | C9—C10 | 1.5179 (19) |
| O4—C20 | 1.2103 (17) | C10—H10A | 0.9900 |
| N1—C1 | 1.4001 (18) | C10—H10B | 0.9900 |
| N1—C8 | 1.3936 (18) | C11—H11A | 0.9900 |
| N1—C9 | 1.4561 (18) | C11—H11B | 0.9900 |
| N2—H2A | 0.930 (17) | C11—C12 | 1.5184 (19) |
| N2—H2B | 0.919 (17) | C12—H12A | 0.9900 |
| N2—C10 | 1.4959 (17) | C12—H12B | 0.9900 |
| N2—C11 | 1.4950 (17) | C13—C14 | 1.4845 (19) |
| N3—C12 | 1.4594 (18) | C14—C15 | 1.375 (2) |
| N3—C13 | 1.3988 (18) | C14—C19 | 1.389 (2) |
| N3—C20 | 1.3988 (18) | C15—H15 | 0.9500 |
| C1—C2 | 1.483 (2) | C15—C16 | 1.397 (2) |
| C2—C3 | 1.381 (2) | C16—H16 | 0.9500 |
| C2—C7 | 1.391 (2) | C16—C17 | 1.392 (2) |
| C3—H3 | 0.9500 | C17—H17 | 0.9500 |
| C3—C4 | 1.393 (2) | C17—C18 | 1.389 (2) |
| C4—H4 | 0.9500 | C18—H18 | 0.9500 |
| C4—C5 | 1.389 (2) | C18—C19 | 1.382 (2) |
| C5—H5 | 0.9500 | C19—C20 | 1.488 (2) |
| C5—C6 | 1.395 (2) | O1W—H1WA | 0.8699 |
| C6—H6 | 0.9500 | O1W—H1WB | 0.8699 |
| C6—C7 | 1.382 (2) | O2W—H2WA | 0.8700 |
| C7—C8 | 1.485 (2) | O2W—H2WB | 0.8692 |
| C1—N1—C9 | 123.81 (12) | N2—C10—H10A | 108.9 |
| C8—N1—C1 | 111.88 (11) | N2—C10—H10B | 108.9 |
| C8—N1—C9 | 124.21 (12) | C9—C10—H10A | 108.9 |
| H2A—N2—H2B | 108.2 (13) | C9—C10—H10B | 108.9 |
| C10—N2—H2A | 110.1 (10) | H10A—C10—H10B | 107.7 |
| C10—N2—H2B | 109.6 (10) | N2—C11—H11A | 109.0 |
| C11—N2—H2A | 111.8 (10) | N2—C11—H11B | 109.0 |
| C11—N2—H2B | 107.7 (10) | N2—C11—C12 | 113.10 (11) |
| C11—N2—C10 | 109.44 (11) | H11A—C11—H11B | 107.8 |
| C13—N3—C12 | 124.12 (11) | C12—C11—H11A | 109.0 |
| C13—N3—C20 | 111.77 (11) | C12—C11—H11B | 109.0 |
| C20—N3—C12 | 124.11 (12) | N3—C12—C11 | 113.01 (11) |
| O1—C1—N1 | 123.53 (13) | N3—C12—H12A | 109.0 |
| O1—C1—C2 | 130.53 (14) | N3—C12—H12B | 109.0 |
| N1—C1—C2 | 105.92 (12) | C11—C12—H12A | 109.0 |
| C3—C2—C1 | 130.34 (14) | C11—C12—H12B | 109.0 |
| C3—C2—C7 | 121.60 (14) | H12A—C12—H12B | 107.8 |
| C7—C2—C1 | 108.06 (12) | O3—C13—N3 | 124.40 (13) |
| C2—C3—H3 | 121.6 | O3—C13—C14 | 129.59 (13) |
| C2—C3—C4 | 116.88 (15) | N3—C13—C14 | 105.99 (11) |
| C4—C3—H3 | 121.6 | C15—C14—C13 | 129.93 (13) |
| C3—C4—H4 | 119.2 | C15—C14—C19 | 121.88 (13) |
| C5—C4—C3 | 121.61 (14) | C19—C14—C13 | 108.19 (12) |
| C5—C4—H4 | 119.2 | C14—C15—H15 | 121.4 |
| C4—C5—H5 | 119.4 | C14—C15—C16 | 117.29 (13) |
| C4—C5—C6 | 121.25 (15) | C16—C15—H15 | 121.4 |
| C6—C5—H5 | 119.4 | C15—C16—H16 | 119.6 |
| C5—C6—H6 | 121.6 | C17—C16—C15 | 120.89 (14) |
| C7—C6—C5 | 116.84 (15) | C17—C16—H16 | 119.6 |
| C7—C6—H6 | 121.6 | C16—C17—H17 | 119.3 |
| C2—C7—C8 | 108.21 (12) | C18—C17—C16 | 121.30 (13) |
| C6—C7—C2 | 121.82 (14) | C18—C17—H17 | 119.3 |
| C6—C7—C8 | 129.97 (14) | C17—C18—H18 | 121.3 |
| O2—C8—N1 | 124.57 (13) | C19—C18—C17 | 117.42 (13) |
| O2—C8—C7 | 129.49 (13) | C19—C18—H18 | 121.3 |
| N1—C8—C7 | 105.93 (12) | C14—C19—C20 | 108.16 (12) |
| N1—C9—H9A | 108.9 | C18—C19—C14 | 121.18 (13) |
| N1—C9—H9B | 108.9 | C18—C19—C20 | 130.65 (13) |
| N1—C9—C10 | 113.25 (11) | O4—C20—N3 | 124.62 (13) |
| H9A—C9—H9B | 107.7 | O4—C20—C19 | 129.53 (13) |
| C10—C9—H9A | 108.9 | N3—C20—C19 | 105.85 (11) |
| C10—C9—H9B | 108.9 | H1WA—O1W—H1WB | 104.5 |
| N2—C10—C9 | 113.22 (11) | H2WA—O2W—H2WB | 104.5 |
| O1—C1—C2—C3 | −1.7 (3) | C9—N1—C1—O1 | −1.2 (2) |
| O1—C1—C2—C7 | 177.56 (15) | C9—N1—C1—C2 | 177.37 (12) |
| O3—C13—C14—C15 | −2.0 (2) | C9—N1—C8—O2 | 1.8 (2) |
| O3—C13—C14—C19 | 177.98 (14) | C9—N1—C8—C7 | −177.10 (12) |
| N1—C1—C2—C3 | 179.83 (14) | C10—N2—C11—C12 | −179.36 (11) |
| N1—C1—C2—C7 | −0.86 (15) | C11—N2—C10—C9 | −177.34 (11) |
| N1—C9—C10—N2 | −69.13 (15) | C12—N3—C13—O3 | 2.3 (2) |
| N2—C11—C12—N3 | −70.61 (15) | C12—N3—C13—C14 | −178.85 (12) |
| N3—C13—C14—C15 | 179.24 (14) | C12—N3—C20—O4 | −1.6 (2) |
| N3—C13—C14—C19 | −0.76 (15) | C12—N3—C20—C19 | 178.60 (12) |
| C1—N1—C8—O2 | 178.13 (13) | C13—N3—C12—C11 | 110.75 (14) |
| C1—N1—C8—C7 | −0.76 (15) | C13—N3—C20—O4 | 177.76 (13) |
| C1—N1—C9—C10 | 97.89 (15) | C13—N3—C20—C19 | −1.99 (15) |
| C1—C2—C3—C4 | 179.82 (14) | C13—C14—C15—C16 | −178.35 (13) |
| C1—C2—C7—C6 | −179.45 (13) | C13—C14—C19—C18 | 179.61 (13) |
| C1—C2—C7—C8 | 0.42 (15) | C13—C14—C19—C20 | −0.42 (15) |
| C2—C3—C4—C5 | −0.7 (2) | C14—C15—C16—C17 | −1.2 (2) |
| C2—C7—C8—O2 | −178.64 (14) | C14—C19—C20—O4 | −178.29 (14) |
| C2—C7—C8—N1 | 0.18 (15) | C14—C19—C20—N3 | 1.45 (15) |
| C3—C2—C7—C6 | −0.1 (2) | C15—C14—C19—C18 | −0.4 (2) |
| C3—C2—C7—C8 | 179.80 (13) | C15—C14—C19—C20 | 179.58 (13) |
| C3—C4—C5—C6 | 0.2 (2) | C15—C16—C17—C18 | −0.6 (2) |
| C4—C5—C6—C7 | 0.3 (2) | C16—C17—C18—C19 | 1.8 (2) |
| C5—C6—C7—C2 | −0.4 (2) | C17—C18—C19—C14 | −1.4 (2) |
| C5—C6—C7—C8 | 179.78 (14) | C17—C18—C19—C20 | 178.68 (14) |
| C6—C7—C8—O2 | 1.2 (3) | C18—C19—C20—O4 | 1.7 (3) |
| C6—C7—C8—N1 | −179.96 (14) | C18—C19—C20—N3 | −178.59 (14) |
| C7—C2—C3—C4 | 0.6 (2) | C19—C14—C15—C16 | 1.6 (2) |
| C8—N1—C1—O1 | −177.56 (13) | C20—N3—C12—C11 | −69.92 (16) |
| C8—N1—C1—C2 | 1.01 (15) | C20—N3—C13—O3 | −177.07 (13) |
| C8—N1—C9—C10 | −86.20 (16) | C20—N3—C13—C14 | 1.75 (15) |