| O1—C7 | 1.2529 (17) | C16—C17 | 1.386 (2) |
| N1—C7 | 1.3785 (18) | C16—H16A | 0.9500 |
| N1—N2 | 1.4019 (17) | C17—H17A | 0.9500 |
| N1—C1 | 1.4150 (18) | N3—C19 | 1.466 (3) |
| N2—C9 | 1.3119 (19) | N3—H3 | 0.902 (10) |
| C1—C2 | 1.387 (2) | N3—H3' | 1.28 (4) |
| C1—C6 | 1.394 (2) | C18—C19 | 1.528 (4) |
| C2—C3 | 1.386 (2) | C18—H18A | 0.9800 |
| C2—H2A | 0.9500 | C18—H18B | 0.9800 |
| C3—C4 | 1.387 (2) | C18—H18C | 0.9800 |
| C3—H3A | 0.9500 | C19—C20 | 1.516 (3) |
| C4—C5 | 1.374 (2) | C19—H19 | 1.0000 |
| C4—H4A | 0.9500 | C20—C21 | 1.517 (5) |
| C5—C6 | 1.385 (2) | C20—H20A | 0.9900 |
| C5—H5A | 0.9500 | C20—H20B | 0.9900 |
| C6—H6A | 0.9500 | C21—H21A | 0.9800 |
| C7—C8 | 1.4382 (19) | C21—H21B | 0.9800 |
| C8—C11 | 1.402 (2) | C21—H21C | 0.9800 |
| C8—C9 | 1.430 (2) | N3'—C19' | 1.475 (6) |
| C9—C10 | 1.491 (2) | N3'—H3 | 1.149 (18) |
| C10—H10A | 0.9800 | N3'—H3' | 0.904 (10) |
| C10—H10B | 0.9800 | C18'—C19' | 1.527 (9) |
| C10—H10C | 0.9800 | C18'—H18D | 0.9800 |
| C11—N3' | 1.311 (5) | C18'—H18E | 0.9800 |
| C11—N3 | 1.359 (2) | C18'—H18F | 0.9800 |
| C11—C12 | 1.4901 (19) | C19'—C20' | 1.508 (7) |
| C12—C13 | 1.386 (2) | C19'—H19' | 1.0000 |
| C12—C17 | 1.390 (2) | C20'—C21' | 1.519 (9) |
| C13—C14 | 1.388 (2) | C20'—H20C | 0.9900 |
| C13—H13A | 0.9500 | C20'—H20D | 0.9900 |
| C14—C15 | 1.380 (2) | C21'—H21D | 0.9800 |
| C14—H14A | 0.9500 | C21'—H21E | 0.9800 |
| C15—C16 | 1.379 (2) | C21'—H21F | 0.9800 |
| C15—H15A | 0.9500 | ||
| C7—N1—N2 | 111.72 (11) | C15—C16—C17 | 119.92 (14) |
| C7—N1—C1 | 129.43 (12) | C15—C16—H16A | 120.0 |
| N2—N1—C1 | 118.78 (11) | C17—C16—H16A | 120.0 |
| C9—N2—N1 | 106.50 (11) | C16—C17—C12 | 119.82 (14) |
| C2—C1—C6 | 119.64 (14) | C16—C17—H17A | 120.1 |
| C2—C1—N1 | 121.12 (12) | C12—C17—H17A | 120.1 |
| C6—C1—N1 | 119.24 (13) | C11—N3—C19 | 128.01 (18) |
| C3—C2—C1 | 119.69 (14) | C11—N3—H3 | 114.1 (14) |
| C3—C2—H2A | 120.2 | C19—N3—H3 | 116.6 (13) |
| C1—C2—H2A | 120.2 | C11—N3—H3' | 91 (2) |
| C2—C3—C4 | 120.83 (14) | C19—N3—H3' | 116 (2) |
| C2—C3—H3A | 119.6 | H3—N3—H3' | 47 (2) |
| C4—C3—H3A | 119.6 | N3—C19—C20 | 109.15 (17) |
| C5—C4—C3 | 119.10 (15) | N3—C19—C18 | 111.0 (3) |
| C5—C4—H4A | 120.4 | C20—C19—C18 | 110.6 (3) |
| C3—C4—H4A | 120.4 | N3—C19—H19 | 108.7 |
| C4—C5—C6 | 121.02 (14) | C20—C19—H19 | 108.7 |
| C4—C5—H5A | 119.5 | C18—C19—H19 | 108.7 |
| C6—C5—H5A | 119.5 | C19—C20—C21 | 113.0 (3) |
| C5—C6—C1 | 119.71 (14) | C19—C20—H20A | 109.0 |
| C5—C6—H6A | 120.1 | C21—C20—H20A | 109.0 |
| C1—C6—H6A | 120.1 | C19—C20—H20B | 109.0 |
| O1—C7—N1 | 126.01 (13) | C21—C20—H20B | 109.0 |
| O1—C7—C8 | 129.17 (13) | H20A—C20—H20B | 107.8 |
| N1—C7—C8 | 104.80 (12) | C11—N3'—C19' | 126.0 (5) |
| C11—C8—C9 | 132.65 (13) | C11—N3'—H3 | 102.0 (11) |
| C11—C8—C7 | 121.77 (13) | C19'—N3'—H3 | 113.7 (11) |
| C9—C8—C7 | 105.58 (12) | C11—N3'—H3' | 115 (4) |
| N2—C9—C8 | 111.40 (13) | C19'—N3'—H3' | 119 (4) |
| N2—C9—C10 | 118.92 (13) | H3—N3'—H3' | 52 (4) |
| C8—C9—C10 | 129.65 (14) | C19'—C18'—H18D | 109.5 |
| C9—C10—H10A | 109.5 | C19'—C18'—H18E | 109.5 |
| C9—C10—H10B | 109.5 | H18D—C18'—H18E | 109.5 |
| H10A—C10—H10B | 109.5 | C19'—C18'—H18F | 109.5 |
| C9—C10—H10C | 109.5 | H18D—C18'—H18F | 109.5 |
| H10A—C10—H10C | 109.5 | H18E—C18'—H18F | 109.5 |
| H10B—C10—H10C | 109.5 | N3'—C19'—C20' | 107.5 (5) |
| N3'—C11—C8 | 113.3 (3) | N3'—C19'—C18' | 108.1 (14) |
| N3—C11—C8 | 118.82 (15) | C20'—C19'—C18' | 112.7 (8) |
| N3'—C11—C12 | 120.1 (3) | N3'—C19'—H19' | 109.5 |
| N3—C11—C12 | 117.86 (15) | C20'—C19'—H19' | 109.5 |
| C8—C11—C12 | 122.46 (13) | C18'—C19'—H19' | 109.5 |
| C13—C12—C17 | 120.12 (13) | C19'—C20'—C21' | 113.7 (7) |
| C13—C12—C11 | 122.04 (13) | C19'—C20'—H20C | 108.8 |
| C17—C12—C11 | 117.84 (13) | C21'—C20'—H20C | 108.8 |
| C12—C13—C14 | 119.60 (14) | C19'—C20'—H20D | 108.8 |
| C12—C13—H13A | 120.2 | C21'—C20'—H20D | 108.8 |
| C14—C13—H13A | 120.2 | H20C—C20'—H20D | 107.7 |
| C15—C14—C13 | 120.10 (14) | C20'—C21'—H21D | 109.5 |
| C15—C14—H14A | 119.9 | C20'—C21'—H21E | 109.5 |
| C13—C14—H14A | 119.9 | H21D—C21'—H21E | 109.5 |
| C16—C15—C14 | 120.43 (14) | C20'—C21'—H21F | 109.5 |
| C16—C15—H15A | 119.8 | H21D—C21'—H21F | 109.5 |
| C14—C15—H15A | 119.8 | H21E—C21'—H21F | 109.5 |
| C7—N1—N2—C9 | −0.44 (16) | C7—C8—C11—N3 | −5.0 (2) |
| C1—N1—N2—C9 | 176.80 (12) | C9—C8—C11—C12 | 4.8 (2) |
| C7—N1—C1—C2 | −12.6 (2) | C7—C8—C11—C12 | −174.22 (13) |
| N2—N1—C1—C2 | 170.69 (12) | N3'—C11—C12—C13 | 76.6 (4) |
| C7—N1—C1—C6 | 168.11 (13) | N3—C11—C12—C13 | 111.8 (2) |
| N2—N1—C1—C6 | −8.57 (19) | C8—C11—C12—C13 | −78.87 (19) |
| C6—C1—C2—C3 | 0.2 (2) | N3'—C11—C12—C17 | −104.2 (4) |
| N1—C1—C2—C3 | −179.08 (13) | N3—C11—C12—C17 | −69.0 (2) |
| C1—C2—C3—C4 | 0.3 (2) | C8—C11—C12—C17 | 100.28 (17) |
| C2—C3—C4—C5 | −0.7 (2) | C17—C12—C13—C14 | −0.9 (2) |
| C3—C4—C5—C6 | 0.8 (2) | C11—C12—C13—C14 | 178.22 (13) |
| C4—C5—C6—C1 | −0.3 (2) | C12—C13—C14—C15 | 0.7 (2) |
| C2—C1—C6—C5 | −0.1 (2) | C13—C14—C15—C16 | 0.2 (2) |
| N1—C1—C6—C5 | 179.13 (13) | C14—C15—C16—C17 | −0.8 (2) |
| N2—N1—C7—O1 | 178.94 (13) | C15—C16—C17—C12 | 0.6 (2) |
| C1—N1—C7—O1 | 2.1 (2) | C13—C12—C17—C16 | 0.3 (2) |
| N2—N1—C7—C8 | 0.35 (15) | C11—C12—C17—C16 | −178.90 (13) |
| C1—N1—C7—C8 | −176.52 (12) | N3'—C11—N3—C19 | 85.3 (6) |
| O1—C7—C8—C11 | 0.6 (2) | C8—C11—N3—C19 | 172.81 (19) |
| N1—C7—C8—C11 | 179.14 (12) | C12—C11—N3—C19 | −17.5 (3) |
| O1—C7—C8—C9 | −178.66 (14) | C11—N3—C19—C20 | −118.9 (3) |
| N1—C7—C8—C9 | −0.13 (14) | C11—N3—C19—C18 | 118.9 (4) |
| N1—N2—C9—C8 | 0.35 (16) | N3—C19—C20—C21 | 61.1 (5) |
| N1—N2—C9—C10 | 178.68 (12) | C18—C19—C20—C21 | −176.5 (5) |
| C11—C8—C9—N2 | −179.29 (15) | N3—C11—N3'—C19' | −85.2 (8) |
| C7—C8—C9—N2 | −0.14 (16) | C8—C11—N3'—C19' | 167.1 (5) |
| C11—C8—C9—C10 | 2.6 (3) | C12—C11—N3'—C19' | 9.5 (9) |
| C7—C8—C9—C10 | −178.24 (15) | C11—N3'—C19'—C20' | 116.6 (7) |
| C9—C8—C11—N3' | −152.2 (4) | C11—N3'—C19'—C18' | −121.5 (11) |
| C7—C8—C11—N3' | 28.8 (4) | N3'—C19'—C20'—C21' | −58.9 (10) |
| C9—C8—C11—N3 | 174.01 (18) | C18'—C19'—C20'—C21' | −177.9 (17) |