530
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C21 | sing | 1.35Å | 1.35Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | F24 | sing | 1.35Å | 1.34Å | |
| C23 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | O11 | sing | 1.36Å | 1.38Å | |
| O11 | C3 | sing | 1.35Å | 1.37Å | |
| C3 | N2 | doub | 1.33Å | 1.37Å | Aromatic |
| C3 | N4 | sing | 1.32Å | 1.36Å | Aromatic |
| N2 | C1 | sing | 1.32Å | 1.35Å | Aromatic |
| N4 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.47Å | Aromatic |
| N7 | N8 | sing | 1.40Å | 1.41Å | Aromatic |
| N8 | C9 | doub | 1.31Å | 1.35Å | Aromatic |
| C9 | C5 | sing | 1.46Å | 1.39Å | Aromatic |
| C9 | N10 | sing | 1.40Å | 1.36Å | |
| C5 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| N10 | C13 | sing | 1.47Å | 1.45Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | O16 | sing | 1.43Å | 1.43Å | |
| O16 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C21 | C20 | 120.6° | 119.9° |
| F25 | C21 | C22 | 119.5° | 120.0° |
| C20 | C21 | C22 | 119.9° | 120.1° |
| C21 | C20 | C19 | 120.0° | 120.1° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C21 | C22 | C23 | 119.9° | 120.0° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C20 | C19 | C12 | 120.0° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C20 | C19 | H19 | 120.0° | 120.0° |
| C19 | C12 | C23 | 119.6° | 119.9° |
| C19 | C12 | O11 | 120.1° | 120.1° |
| C12 | C19 | H19 | 120.0° | 120.0° |
| C22 | C23 | F24 | 119.1° | 120.0° |
| C22 | C23 | C12 | 120.5° | 119.9° |
| C23 | C22 | H22 | 120.1° | 120.0° |
| F24 | C23 | C12 | 120.3° | 120.1° |
| C23 | C12 | O11 | 120.3° | 120.0° |
| C12 | O11 | C3 | 120.2° | 118.0° |
| O11 | C3 | N2 | 120.2° | 118.7° |
| O11 | C3 | N4 | 118.1° | 118.8° |
| N2 | C3 | N4 | 121.7° | 122.5° |
| C3 | N2 | C1 | 122.3° | 121.2° |
| C3 | N4 | C6 | 120.3° | 120.5° |
| N2 | C1 | C5 | 117.9° | 118.6° |
| N2 | C1 | H1 | 121.0° | 120.7° |
| N4 | C6 | N7 | 134.2° | 134.6° |
| N4 | C6 | C5 | 118.2° | 118.6° |
| N7 | C6 | C5 | 107.6° | 106.7° |
| C6 | N7 | N8 | 110.0° | 109.5° |
| C6 | N7 | HN7 | 125.0° | 125.3° |
| C6 | C5 | C9 | 103.5° | 106.3° |
| C6 | C5 | C1 | 119.7° | 118.7° |
| N7 | N8 | C9 | 106.3° | 110.0° |
| N8 | N7 | HN7 | 125.0° | 125.2° |
| N8 | C9 | C5 | 112.6° | 107.5° |
| N8 | C9 | N10 | 119.9° | 126.2° |
| C5 | C9 | N10 | 127.6° | 126.3° |
| C9 | C5 | C1 | 136.8° | 135.0° |
| C9 | N10 | C13 | 124.4° | 120.0° |
| C9 | N10 | HN10 | 104.8° | 120.0° |
| C5 | C1 | H1 | 121.0° | 120.7° |
| N10 | C13 | C18 | 109.9° | 109.5° |
| N10 | C13 | C14 | 109.2° | 109.6° |
| C13 | N10 | HN10 | 104.8° | 119.9° |
| N10 | C13 | H13 | 109.7° | 109.5° |
| C18 | C13 | C14 | 110.4° | 109.1° |
| C13 | C18 | C17 | 110.5° | 109.2° |
| C18 | C13 | H13 | 108.4° | 109.5° |
| C13 | C18 | H18 | 109.2° | 109.5° |
| C13 | C18 | H18A | 108.9° | 109.6° |
| C13 | C14 | C15 | 111.2° | 109.2° |
| C14 | C13 | H13 | 109.2° | 109.7° |
| C13 | C14 | H14 | 108.9° | 109.5° |
| C13 | C14 | H14A | 108.5° | 109.6° |
| C18 | C17 | O16 | 110.2° | 109.4° |
| C17 | C18 | H18 | 109.2° | 109.5° |
| C17 | C18 | H18A | 108.9° | 109.5° |
| C18 | C17 | H17 | 109.2° | 109.6° |
| C18 | C17 | H17A | 109.1° | 109.5° |
| C17 | O16 | C15 | 113.7° | 114.1° |
| O16 | C17 | H17 | 109.3° | 109.5° |
| O16 | C17 | H17A | 109.1° | 109.4° |
| O16 | C15 | C14 | 109.9° | 109.4° |
| O16 | C15 | H15 | 109.3° | 109.5° |
| O16 | C15 | H15A | 109.2° | 109.4° |
| C14 | C15 | H15 | 109.3° | 109.5° |
| C14 | C15 | H15A | 109.2° | 109.5° |
| C15 | C14 | H14 | 108.9° | 109.5° |
| C15 | C14 | H14A | 108.5° | 109.5° |
| H18 | C18 | H18A | 110.2° | 109.6° |
| H17 | C17 | H17A | 110.0° | 109.5° |
| H15 | C15 | H15A | 109.8° | 109.5° |
| H14 | C14 | H14A | 110.9° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C21 | C20 | C22 | 179.9° | 179.8° |
| F25 | C21 | C20 | C19 | 179.9° | 180.0° |
| F25 | C21 | C22 | C23 | 180.0° | 180.0° |
| F25 | C21 | C20 | H20 | 0.1° | 0.1° |
| F25 | C21 | C22 | H22 | 0.0° | 0.1° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C12 | 0.4° | 0.1° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C21 | C20 | C19 | H19 | 179.6° | 180.0° |
| C20 | C21 | C22 | H22 | 180.0° | 179.7° |
| C22 | C21 | C20 | C19 | 0.1° | 0.2° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | F24 | 179.9° | 179.9° |
| C21 | C22 | C23 | C12 | 0.2° | 0.1° |
| C22 | C21 | C20 | H20 | 179.8° | 179.8° |
| C20 | C19 | C12 | H19 | 180.0° | 180.0° |
| C20 | C19 | C12 | C23 | 0.5° | 0.3° |
| C20 | C19 | C12 | O11 | 179.9° | 180.0° |
| C19 | C12 | C23 | C22 | 0.5° | 0.3° |
| C19 | C12 | C23 | F24 | 179.7° | 179.7° |
| C19 | C12 | C23 | O11 | 179.3° | 179.7° |
| C19 | C12 | O11 | C3 | 106.0° | 98.9° |
| C12 | C19 | C20 | H20 | 179.6° | 180.0° |
| C22 | C23 | F24 | C12 | 179.8° | 180.0° |
| C22 | C23 | C12 | O11 | 179.8° | 179.9° |
| F24 | C23 | C12 | O11 | 0.4° | 0.0° |
| F24 | C23 | C22 | H22 | 0.0° | 0.1° |
| C23 | C12 | O11 | C3 | 73.3° | 81.3° |
| C23 | C12 | C19 | H19 | 179.4° | 179.7° |
| C12 | C23 | C22 | H22 | 179.8° | 180.0° |
| C12 | O11 | C3 | N2 | 171.6° | 5.4° |
| C12 | O11 | C3 | N4 | 8.3° | 174.9° |
| O11 | C12 | C19 | H19 | 0.1° | 0.0° |
| O11 | C3 | N2 | N4 | 180.0° | 179.7° |
| O11 | C3 | N2 | C1 | 179.6° | 180.0° |
| O11 | C3 | N4 | C6 | 179.8° | 179.9° |
| N2 | C3 | N4 | C6 | 0.1° | 0.3° |
| C3 | N2 | C1 | C5 | 0.3° | 0.0° |
| C3 | N2 | C1 | H1 | 179.7° | 179.9° |
| N4 | C3 | N2 | C1 | 0.3° | 0.3° |
| C3 | N4 | C6 | N7 | 180.0° | 180.0° |
| C3 | N4 | C6 | C5 | 0.1° | 0.0° |
| N2 | C1 | C5 | C6 | 0.1° | 0.3° |
| N2 | C1 | C5 | C9 | 179.6° | 179.8° |
| N2 | C1 | C5 | H1 | 180.0° | 180.0° |
| N4 | C6 | N7 | C5 | 179.9° | 180.0° |
| N4 | C6 | N7 | N8 | 179.9° | 180.0° |
| N4 | C6 | C5 | C9 | 179.8° | 180.0° |
| N4 | C6 | C5 | C1 | 0.1° | 0.3° |
| N4 | C6 | N7 | HN7 | 0.1° | 0.0° |
| C6 | N7 | N8 | HN7 | 180.0° | 180.0° |
| C6 | N7 | N8 | C9 | 0.0° | 0.0° |
| N7 | C6 | C5 | C9 | 0.2° | 0.0° |
| N7 | C6 | C5 | C1 | 180.0° | 179.7° |
| C5 | C6 | N7 | N8 | 0.1° | 0.0° |
| C6 | C5 | C9 | N8 | 0.2° | 0.0° |
| C6 | C5 | C9 | C1 | 179.7° | 179.6° |
| C6 | C5 | C9 | N10 | 179.6° | 180.0° |
| C5 | C6 | N7 | HN7 | 179.9° | 180.0° |
| C6 | C5 | C1 | H1 | 179.9° | 179.8° |
| N7 | N8 | C9 | C5 | 0.2° | 0.0° |
| N7 | N8 | C9 | N10 | 179.6° | 180.0° |
| N8 | C9 | C5 | N10 | 179.4° | 180.0° |
| N8 | C9 | C5 | C1 | 179.9° | 179.6° |
| N8 | C9 | N10 | C13 | 164.1° | 0.1° |
| C9 | N8 | N7 | HN7 | 180.0° | 180.0° |
| N8 | C9 | N10 | HN10 | 75.9° | 179.9° |
| C5 | C9 | N10 | C13 | 16.5° | 179.9° |
| C9 | C5 | C1 | H1 | 0.4° | 0.2° |
| C5 | C9 | N10 | HN10 | 103.5° | 0.0° |
| N10 | C9 | C5 | C1 | 0.7° | 0.3° |
| C9 | N10 | C13 | HN10 | 120.0° | 180.0° |
| C9 | N10 | C13 | C18 | 112.1° | 155.0° |
| C9 | N10 | C13 | C14 | 126.6° | 85.4° |
| C9 | N10 | C13 | H13 | 7.0° | 34.9° |
| N10 | C13 | C18 | C14 | 120.6° | 119.9° |
| N10 | C13 | C18 | H13 | 119.9° | 120.1° |
| N10 | C13 | C14 | H13 | 119.9° | 120.3° |
| N10 | C13 | C18 | C17 | 172.8° | 176.9° |
| N10 | C13 | C14 | C15 | 173.0° | 176.9° |
| N10 | C13 | C18 | H18 | 52.8° | 57.0° |
| N10 | C13 | C18 | H18A | 67.6° | 63.2° |
| N10 | C13 | C14 | H14 | 67.0° | 63.2° |
| N10 | C13 | C14 | H14A | 53.7° | 56.9° |
| C18 | C13 | C14 | H13 | 119.1° | 119.9° |
| C13 | C18 | C17 | H18 | 120.0° | 119.9° |
| C13 | C18 | C17 | H18A | 119.6° | 120.0° |
| C13 | C18 | C17 | O16 | 55.8° | 57.6° |
| C18 | C13 | C14 | C15 | 52.0° | 57.0° |
| C18 | C13 | N10 | HN10 | 127.9° | 25.0° |
| C13 | C18 | H18 | H18A | 119.6° | 120.3° |
| C13 | C18 | C17 | H17 | 175.8° | 177.6° |
| C13 | C18 | C17 | H17A | 64.0° | 62.4° |
| C18 | C13 | C14 | H14 | 172.0° | 176.9° |
| C18 | C13 | C14 | H14A | 67.3° | 62.9° |
| C14 | C13 | C18 | C17 | 52.2° | 57.0° |
| C13 | C14 | C15 | O16 | 54.8° | 57.6° |
| C13 | C14 | C15 | H14 | 120.0° | 119.9° |
| C13 | C14 | C15 | H14A | 119.3° | 120.0° |
| C14 | C13 | N10 | HN10 | 6.6° | 94.5° |
| C14 | C13 | C18 | H18 | 67.8° | 62.8° |
| C14 | C13 | C18 | H18A | 171.8° | 176.9° |
| C13 | C14 | C15 | H15 | 174.8° | 177.6° |
| C13 | C14 | C15 | H15A | 65.0° | 62.3° |
| C13 | C14 | H14 | H14A | 119.3° | 120.2° |
| C18 | C17 | O16 | H17 | 120.0° | 120.1° |
| C18 | C17 | O16 | H17A | 119.7° | 119.9° |
| C18 | C17 | O16 | C15 | 61.1° | 61.1° |
| C17 | C18 | C13 | H13 | 67.3° | 63.0° |
| C17 | C18 | H18 | H18A | 119.6° | 120.1° |
| C18 | C17 | H17 | H17A | 119.7° | 120.0° |
| C17 | O16 | C15 | C14 | 60.2° | 61.1° |
| O16 | C17 | C18 | H18 | 64.3° | 62.3° |
| O16 | C17 | C18 | H18A | 175.4° | 177.5° |
| O16 | C17 | H17 | H17A | 119.7° | 120.0° |
| C17 | O16 | C15 | H15 | 179.8° | 178.9° |
| C17 | O16 | C15 | H15A | 59.6° | 58.8° |
| O16 | C15 | C14 | H15 | 120.0° | 120.0° |
| O16 | C15 | C14 | H15A | 119.8° | 119.9° |
| C15 | O16 | C17 | H17 | 178.9° | 178.8° |
| C15 | O16 | C17 | H17A | 58.7° | 58.8° |
| O16 | C15 | H15 | H15A | 119.8° | 120.0° |
| O16 | C15 | C14 | H14 | 174.7° | 177.5° |
| O16 | C15 | C14 | H14A | 64.5° | 62.3° |
| C15 | C14 | C13 | H13 | 67.1° | 62.9° |
| C14 | C15 | H15 | H15A | 119.8° | 120.1° |
| C15 | C14 | H14 | H14A | 119.3° | 120.2° |
| H20 | C20 | C19 | H19 | 0.4° | 0.0° |
| HN10 | N10 | C13 | H13 | 113.0° | 145.1° |
| H13 | C13 | C18 | H18 | 172.7° | 177.2° |
| H13 | C13 | C18 | H18A | 52.3° | 56.9° |
| H13 | C13 | C14 | H14 | 52.9° | 57.0° |
| H13 | C13 | C14 | H14A | 173.6° | 177.2° |
| H18 | C18 | C17 | H17 | 55.8° | 57.7° |
| H18 | C18 | C17 | H17A | 176.0° | 177.7° |
| H18A | C18 | C17 | H17 | 64.6° | 62.5° |
| H18A | C18 | C17 | H17A | 55.6° | 57.6° |
| H15 | C15 | C14 | H14 | 65.3° | 62.5° |
| H15 | C15 | C14 | H14A | 55.5° | 57.6° |
| H15A | C15 | C14 | H14 | 54.9° | 57.6° |
| H15A | C15 | C14 | H14A | 175.7° | 177.7° |
