| C1—N8 | 1.5071 (16) | C10—C15 | 1.4068 (19) |
| C1—C2 | 1.5419 (15) | C10—C11 | 1.4127 (19) |
| C1—C7 | 1.5648 (18) | C11—C12 | 1.3893 (18) |
| C1—H1 | 1.0000 | C11—H11 | 0.9500 |
| C2—C3 | 1.5390 (16) | C12—C13 | 1.401 (2) |
| C2—C9 | 1.5801 (16) | C12—H12 | 0.9500 |
| C2—H2 | 1.0000 | C13—C14 | 1.401 (2) |
| C3—O3 | 1.2180 (15) | C13—H13 | 0.9500 |
| C3—C4 | 1.5279 (18) | C14—C15 | 1.3923 (17) |
| C4—C5 | 1.5368 (15) | C14—H14 | 0.9500 |
| C4—H4A | 0.9900 | C15—H15 | 0.9500 |
| C4—H4B | 0.9900 | C16—C17 | 1.5329 (16) |
| C5—N8 | 1.5082 (14) | C16—H16A | 0.9900 |
| C5—C6 | 1.5742 (18) | C16—H16B | 0.9900 |
| C5—H5 | 1.0000 | C17—C22 | 1.4091 (19) |
| C6—C7 | 1.5762 (18) | C17—C18 | 1.4140 (19) |
| C6—H6A | 0.9900 | C18—C19 | 1.4116 (18) |
| C6—H6B | 0.9900 | C18—H18 | 0.9500 |
| C7—H7A | 0.9900 | C19—C20 | 1.406 (2) |
| C7—H7B | 0.9900 | C19—H19 | 0.9500 |
| N8—C16 | 1.4861 (14) | C20—C21 | 1.403 (2) |
| O9—C9 | 1.4430 (16) | C20—H20 | 0.9500 |
| O9—H9 | 0.8400 | C21—C22 | 1.4151 (19) |
| C9—C10 | 1.5121 (16) | C21—H21 | 0.9500 |
| C9—H9C | 1.0000 | C22—H22 | 0.9500 |
| N8—C1—C2 | 107.58 (10) | O9—C9—H9C | 107.8 |
| N8—C1—C7 | 105.46 (9) | C10—C9—H9C | 107.8 |
| C2—C1—C7 | 111.25 (10) | C2—C9—H9C | 107.8 |
| N8—C1—H1 | 110.8 | C15—C10—C11 | 120.07 (11) |
| C2—C1—H1 | 110.8 | C15—C10—C9 | 121.20 (12) |
| C7—C1—H1 | 110.8 | C11—C10—C9 | 118.73 (12) |
| C3—C2—C1 | 108.74 (9) | C12—C11—C10 | 120.33 (13) |
| C3—C2—C9 | 112.33 (10) | C12—C11—H11 | 119.8 |
| C1—C2—C9 | 111.67 (9) | C10—C11—H11 | 119.8 |
| C3—C2—H2 | 108.0 | C11—C12—C13 | 119.32 (13) |
| C1—C2—H2 | 108.0 | C11—C12—H12 | 120.3 |
| C9—C2—H2 | 108.0 | C13—C12—H12 | 120.3 |
| O3—C3—C4 | 121.66 (11) | C12—C13—C14 | 120.62 (11) |
| O3—C3—C2 | 121.38 (12) | C12—C13—H13 | 119.7 |
| C4—C3—C2 | 116.94 (10) | C14—C13—H13 | 119.7 |
| C3—C4—C5 | 109.85 (10) | C15—C14—C13 | 120.37 (13) |
| C3—C4—H4A | 109.7 | C15—C14—H14 | 119.8 |
| C5—C4—H4A | 109.7 | C13—C14—H14 | 119.8 |
| C3—C4—H4B | 109.7 | C14—C15—C10 | 119.27 (13) |
| C5—C4—H4B | 109.7 | C14—C15—H15 | 120.4 |
| H4A—C4—H4B | 108.2 | C10—C15—H15 | 120.4 |
| N8—C5—C4 | 108.25 (9) | N8—C16—C17 | 111.62 (9) |
| N8—C5—C6 | 105.38 (10) | N8—C16—H16A | 109.3 |
| C4—C5—C6 | 109.80 (10) | C17—C16—H16A | 109.3 |
| N8—C5—H5 | 111.1 | N8—C16—H16B | 109.3 |
| C4—C5—H5 | 111.1 | C17—C16—H16B | 109.3 |
| C6—C5—H5 | 111.1 | H16A—C16—H16B | 108.0 |
| C5—C6—C7 | 103.74 (10) | C22—C17—C18 | 118.94 (12) |
| C5—C6—H6A | 111.0 | C22—C17—C16 | 120.10 (12) |
| C7—C6—H6A | 111.0 | C18—C17—C16 | 120.96 (12) |
| C5—C6—H6B | 111.0 | C19—C18—C17 | 120.96 (13) |
| C7—C6—H6B | 111.0 | C19—C18—H18 | 119.5 |
| H6A—C6—H6B | 109.0 | C17—C18—H18 | 119.5 |
| C1—C7—C6 | 104.36 (10) | C20—C19—C18 | 119.68 (13) |
| C1—C7—H7A | 110.9 | C20—C19—H19 | 120.2 |
| C6—C7—H7A | 110.9 | C18—C19—H19 | 120.2 |
| C1—C7—H7B | 110.9 | C21—C20—C19 | 119.74 (12) |
| C6—C7—H7B | 110.9 | C21—C20—H20 | 120.1 |
| H7A—C7—H7B | 108.9 | C19—C20—H20 | 120.1 |
| C16—N8—C1 | 112.14 (10) | C20—C21—C22 | 120.66 (13) |
| C16—N8—C5 | 109.34 (9) | C20—C21—H21 | 119.7 |
| C1—N8—C5 | 101.69 (9) | C22—C21—H21 | 119.7 |
| C9—O9—H9 | 109.5 | C17—C22—C21 | 120.02 (13) |
| O9—C9—C10 | 109.26 (11) | C17—C22—H22 | 120.0 |
| O9—C9—C2 | 112.65 (9) | C21—C22—H22 | 120.0 |
| C10—C9—C2 | 111.47 (10) |