R73
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F4 | C2 | sing | 1.40Å | 1.33Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.51Å | 1.41Å | |
| C2 | F1 | sing | 1.40Å | 1.33Å | |
| C2 | F3 | sing | 1.40Å | 1.30Å | |
| C5 | N10 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| N10 | C9 | sing | 1.33Å | 1.35Å | Aromatic |
| C9 | C11 | sing | 1.48Å | 1.40Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| C11 | N13 | sing | 1.35Å | 1.35Å | |
| N23 | C22 | doub | 1.31Å | 1.33Å | Aromatic |
| N23 | N24 | sing | 1.40Å | 1.35Å | Aromatic |
| N13 | C14 | sing | 1.40Å | 1.35Å | |
| C22 | C21 | sing | 1.40Å | 1.33Å | Aromatic |
| N24 | C20 | sing | 1.36Å | 1.33Å | Aromatic |
| C21 | C20 | doub | 1.37Å | 1.33Å | Aromatic |
| C20 | C19 | sing | 1.48Å | 1.34Å | |
| C14 | C19 | doub | 1.41Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.34Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.34Å | Aromatic |
| C16 | N28 | sing | 1.38Å | 1.33Å | Aromatic |
| C17 | N25 | sing | 1.36Å | 1.33Å | Aromatic |
| C29 | N28 | sing | 1.46Å | 1.48Å | |
| N28 | C26 | sing | 1.36Å | 1.32Å | Aromatic |
| N25 | C26 | doub | 1.30Å | 1.32Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| N13 | H7 | sing | 0.97Å | 1.00Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| N24 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F4 | C2 | C5 | 111.9° | 109.5° |
| F4 | C2 | F1 | 108.5° | 109.5° |
| F4 | C2 | F3 | 108.5° | 109.5° |
| C7 | C6 | C5 | 119.6° | 119.3° |
| C6 | C7 | C8 | 119.5° | 118.5° |
| C7 | C6 | H1 | 120.1° | 120.3° |
| C6 | C7 | H2 | 120.2° | 120.7° |
| C6 | C5 | C2 | 121.6° | 119.6° |
| C6 | C5 | N10 | 119.1° | 120.9° |
| C5 | C6 | H1 | 120.2° | 120.4° |
| C7 | C8 | C9 | 119.4° | 119.0° |
| C8 | C7 | H2 | 120.3° | 120.8° |
| C7 | C8 | H3 | 120.3° | 120.5° |
| C5 | C2 | F1 | 109.1° | 109.5° |
| C5 | C2 | F3 | 109.7° | 109.5° |
| C2 | C5 | N10 | 119.3° | 119.5° |
| F1 | C2 | F3 | 109.0° | 109.5° |
| C5 | N10 | C9 | 122.5° | 121.6° |
| C8 | C9 | N10 | 119.8° | 120.6° |
| C8 | C9 | C11 | 120.1° | 119.6° |
| C9 | C8 | H3 | 120.3° | 120.5° |
| N10 | C9 | C11 | 120.0° | 119.8° |
| C9 | C11 | O12 | 121.6° | 120.0° |
| C9 | C11 | N13 | 112.1° | 119.9° |
| O12 | C11 | N13 | 126.2° | 120.0° |
| C11 | N13 | C14 | 123.9° | 119.9° |
| C11 | N13 | H7 | 118.1° | 120.0° |
| C22 | N23 | N24 | 108.2° | 108.5° |
| N23 | C22 | C21 | 108.0° | 108.6° |
| N23 | C22 | H6 | 126.0° | 125.7° |
| N23 | N24 | C20 | 107.0° | 107.7° |
| N23 | N24 | H15 | 126.5° | 126.2° |
| N13 | C14 | C19 | 114.9° | 119.9° |
| N13 | C14 | C15 | 126.6° | 119.9° |
| C14 | N13 | H7 | 118.0° | 120.0° |
| C22 | C21 | C20 | 107.7° | 107.8° |
| C22 | C21 | H5 | 126.2° | 126.1° |
| C21 | C22 | H6 | 126.0° | 125.6° |
| N24 | C20 | C21 | 109.0° | 107.3° |
| N24 | C20 | C19 | 125.4° | 126.3° |
| C20 | N24 | H15 | 126.5° | 126.2° |
| C21 | C20 | C19 | 125.6° | 126.4° |
| C20 | C21 | H5 | 126.1° | 126.1° |
| C20 | C19 | C14 | 122.0° | 119.9° |
| C20 | C19 | C18 | 120.3° | 119.9° |
| C19 | C14 | C15 | 118.4° | 120.2° |
| C14 | C19 | C18 | 117.8° | 120.1° |
| C14 | C15 | C16 | 120.5° | 119.9° |
| C14 | C15 | H4 | 119.8° | 120.1° |
| C19 | C18 | C17 | 121.0° | 119.8° |
| C19 | C18 | H14 | 119.5° | 120.1° |
| C15 | C16 | C17 | 120.9° | 120.3° |
| C15 | C16 | N28 | 131.5° | 133.8° |
| C16 | C15 | H4 | 119.8° | 120.0° |
| C18 | C17 | C16 | 121.4° | 119.7° |
| C18 | C17 | N25 | 130.2° | 133.3° |
| C17 | C18 | H14 | 119.5° | 120.1° |
| C17 | C16 | N28 | 107.6° | 106.0° |
| C16 | C17 | N25 | 108.4° | 106.9° |
| C16 | N28 | C29 | 127.2° | 126.3° |
| C16 | N28 | C26 | 107.2° | 107.3° |
| C17 | N25 | C26 | 107.1° | 109.6° |
| C29 | N28 | C26 | 125.6° | 126.4° |
| N28 | C29 | H8 | 109.5° | 109.5° |
| N28 | C29 | H9 | 109.5° | 109.5° |
| N28 | C29 | H10 | 109.5° | 109.5° |
| N28 | C26 | N25 | 109.7° | 110.2° |
| N28 | C26 | C27 | 125.8° | 124.9° |
| N25 | C26 | C27 | 124.5° | 124.9° |
| C26 | C27 | H11 | 109.5° | 109.4° |
| C26 | C27 | H12 | 109.5° | 109.4° |
| C26 | C27 | H13 | 109.4° | 109.5° |
| H8 | C29 | H9 | 109.5° | 109.4° |
| H8 | C29 | H10 | 109.5° | 109.5° |
| H9 | C29 | H10 | 109.4° | 109.5° |
| H11 | C27 | H12 | 109.4° | 109.5° |
| H11 | C27 | H13 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F4 | C2 | C5 | C6 | 0.4° | 64.8° |
| F4 | C2 | C5 | F1 | 120.1° | 120.0° |
| F4 | C2 | C5 | F3 | 120.5° | 120.0° |
| F4 | C2 | F1 | F3 | 118.0° | 120.0° |
| F4 | C2 | C5 | N10 | 179.9° | 115.0° |
| C7 | C6 | C5 | H1 | 180.0° | 179.9° |
| C6 | C7 | C8 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | C2 | 179.5° | 179.7° |
| C7 | C6 | C5 | N10 | 0.0° | 0.1° |
| C6 | C7 | C8 | C9 | 0.7° | 0.1° |
| C6 | C7 | C8 | H3 | 179.3° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C6 | C5 | C2 | N10 | 179.5° | 179.8° |
| C6 | C5 | C2 | F1 | 119.7° | 175.2° |
| C6 | C5 | C2 | F3 | 120.9° | 55.2° |
| C6 | C5 | N10 | C9 | 0.9° | 0.0° |
| C5 | C6 | C7 | H2 | 179.9° | 180.0° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | N10 | 1.6° | 0.1° |
| C7 | C8 | C9 | C11 | 178.8° | 180.0° |
| C8 | C7 | C6 | H1 | 179.9° | 180.0° |
| C5 | C2 | F1 | F3 | 119.8° | 120.0° |
| C2 | C5 | N10 | C9 | 179.6° | 179.7° |
| C2 | C5 | C6 | H1 | 0.5° | 0.2° |
| F1 | C2 | C5 | N10 | 59.8° | 5.0° |
| F3 | C2 | C5 | N10 | 59.6° | 125.0° |
| C5 | N10 | C9 | C8 | 1.7° | 0.0° |
| C5 | N10 | C9 | C11 | 178.9° | 180.0° |
| N10 | C5 | C6 | H1 | 180.0° | 179.9° |
| C8 | C9 | N10 | C11 | 177.2° | 179.9° |
| C8 | C9 | C11 | O12 | 32.7° | 0.1° |
| C8 | C9 | C11 | N13 | 145.0° | 180.0° |
| C9 | C8 | C7 | H2 | 179.3° | 180.0° |
| N10 | C9 | C11 | O12 | 150.2° | 180.0° |
| N10 | C9 | C11 | N13 | 32.1° | 0.0° |
| N10 | C9 | C8 | H3 | 178.4° | 180.0° |
| C9 | C11 | O12 | N13 | 177.4° | 179.9° |
| C9 | C11 | N13 | C14 | 174.8° | 174.5° |
| C11 | C9 | C8 | H3 | 1.2° | 0.1° |
| C9 | C11 | N13 | H7 | 5.2° | 5.5° |
| O12 | C11 | N13 | C14 | 2.8° | 5.5° |
| O12 | C11 | N13 | H7 | 177.2° | 174.5° |
| C11 | N13 | C14 | H7 | 180.0° | 180.0° |
| C11 | N13 | C14 | C19 | 176.3° | 155.1° |
| C11 | N13 | C14 | C15 | 6.9° | 24.9° |
| N23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C22 | N23 | N24 | C20 | 0.2° | 0.4° |
| N23 | C22 | C21 | C20 | 0.5° | 0.0° |
| N23 | C22 | C21 | H5 | 179.5° | 179.9° |
| C22 | N23 | N24 | H15 | 179.8° | 179.8° |
| N24 | N23 | C22 | C21 | 0.2° | 0.3° |
| N23 | N24 | C20 | H15 | 180.0° | 179.8° |
| N23 | N24 | C20 | C21 | 0.5° | 0.4° |
| N23 | N24 | C20 | C19 | 179.2° | 179.8° |
| N24 | N23 | C22 | H6 | 179.8° | 179.7° |
| N13 | C14 | C19 | C20 | 1.8° | 0.0° |
| N13 | C14 | C19 | C15 | 177.1° | 180.0° |
| N13 | C14 | C19 | C18 | 178.3° | 180.0° |
| N13 | C14 | C15 | C16 | 178.0° | 179.9° |
| N13 | C14 | C15 | H4 | 2.0° | 0.3° |
| C22 | C21 | C20 | N24 | 0.7° | 0.2° |
| C22 | C21 | C20 | H5 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 179.3° | 180.0° |
| N24 | C20 | C21 | C19 | 178.7° | 179.8° |
| N24 | C20 | C19 | C14 | 35.4° | 39.7° |
| N24 | C20 | C19 | C18 | 144.6° | 140.3° |
| N24 | C20 | C21 | H5 | 179.3° | 179.6° |
| C21 | C20 | C19 | C14 | 143.1° | 140.0° |
| C21 | C20 | C19 | C18 | 36.9° | 39.9° |
| C20 | C21 | C22 | H6 | 179.5° | 179.9° |
| C21 | C20 | N24 | H15 | 179.5° | 179.8° |
| C20 | C19 | C14 | C18 | 180.0° | 179.9° |
| C20 | C19 | C14 | C15 | 178.8° | 180.0° |
| C20 | C19 | C18 | C17 | 179.5° | 179.8° |
| C19 | C20 | C21 | H5 | 0.7° | 0.1° |
| C20 | C19 | C18 | H14 | 0.5° | 0.4° |
| C19 | C20 | N24 | H15 | 0.8° | 0.1° |
| C19 | C14 | C15 | C16 | 1.3° | 0.0° |
| C14 | C19 | C18 | C17 | 0.6° | 0.3° |
| C19 | C14 | C15 | H4 | 178.7° | 179.7° |
| C19 | C14 | N13 | H7 | 3.7° | 24.9° |
| C14 | C19 | C18 | H14 | 179.4° | 179.6° |
| C15 | C14 | C19 | C18 | 1.2° | 0.0° |
| C14 | C15 | C16 | H4 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.7° | 0.3° |
| C14 | C15 | C16 | N28 | 179.3° | 179.8° |
| C15 | C14 | N13 | H7 | 173.1° | 155.1° |
| C19 | C18 | C17 | H14 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.0° | 0.6° |
| C19 | C18 | C17 | N25 | 179.9° | 179.8° |
| C15 | C16 | C17 | C18 | 0.0° | 0.6° |
| C15 | C16 | C17 | N28 | 180.0° | 179.9° |
| C15 | C16 | C17 | N25 | 180.0° | 180.0° |
| C15 | C16 | N28 | C29 | 0.3° | 0.0° |
| C15 | C16 | N28 | C26 | 179.9° | 180.0° |
| C18 | C17 | C16 | N25 | 179.9° | 179.4° |
| C18 | C17 | C16 | N28 | 180.0° | 179.5° |
| C18 | C17 | N25 | C26 | 179.9° | 179.4° |
| C17 | C16 | N28 | C29 | 179.7° | 180.0° |
| C17 | C16 | N28 | C26 | 0.2° | 0.0° |
| C16 | C17 | N25 | C26 | 0.2° | 0.1° |
| C17 | C16 | C15 | H4 | 179.3° | 180.0° |
| C16 | C17 | C18 | H14 | 180.0° | 179.3° |
| N28 | C16 | C17 | N25 | 0.0° | 0.1° |
| C16 | N28 | C29 | C26 | 179.8° | 180.0° |
| C16 | N28 | C26 | N25 | 0.3° | 0.0° |
| C16 | N28 | C26 | C27 | 179.8° | 180.0° |
| N28 | C16 | C15 | H4 | 0.7° | 0.1° |
| C16 | N28 | C29 | H8 | 180.0° | 90.1° |
| C16 | N28 | C29 | H9 | 60.0° | 150.0° |
| C16 | N28 | C29 | H10 | 60.0° | 30.0° |
| C17 | N25 | C26 | N28 | 0.3° | 0.1° |
| C17 | N25 | C26 | C27 | 179.9° | 180.0° |
| N25 | C17 | C18 | H14 | 0.1° | 0.1° |
| C29 | N28 | C26 | N25 | 179.6° | 180.0° |
| C29 | N28 | C26 | C27 | 0.0° | 0.0° |
| N28 | C29 | H8 | H9 | 120.0° | 120.0° |
| N28 | C29 | H8 | H10 | 120.0° | 120.0° |
| N28 | C29 | H9 | H10 | 119.9° | 120.0° |
| N28 | C26 | N25 | C27 | 179.5° | 180.0° |
| C26 | N28 | C29 | H8 | 0.2° | 90.0° |
| C26 | N28 | C29 | H9 | 119.9° | 30.0° |
| C26 | N28 | C29 | H10 | 120.2° | 150.0° |
| N28 | C26 | C27 | H11 | 179.4° | 90.0° |
| N28 | C26 | C27 | H12 | 59.5° | 150.0° |
| N28 | C26 | C27 | H13 | 60.5° | 30.0° |
| N25 | C26 | C27 | H11 | 0.0° | 90.0° |
| N25 | C26 | C27 | H12 | 120.0° | 30.0° |
| N25 | C26 | C27 | H13 | 120.0° | 150.0° |
| C26 | C27 | H11 | H12 | 120.0° | 119.9° |
| C26 | C27 | H11 | H13 | 120.0° | 120.0° |
| C26 | C27 | H12 | H13 | 120.0° | 120.0° |
| H1 | C6 | C7 | H2 | 0.1° | 0.1° |
| H2 | C7 | C8 | H3 | 0.7° | 0.1° |
| H5 | C21 | C22 | H6 | 0.5° | 0.1° |
| H8 | C29 | H9 | H10 | 120.0° | 120.0° |
| H11 | C27 | H12 | H13 | 120.0° | 120.1° |
