F28
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | N8 | sing | 1.47Å | 1.48Å | |
| C7 | C24 | sing | 1.53Å | 1.57Å | |
| N8 | C9 | sing | 1.47Å | 1.47Å | |
| N8 | C22 | sing | 1.35Å | 1.36Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C21 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.47Å | |
| N12 | C13 | sing | 1.35Å | 1.34Å | |
| N12 | C20 | sing | 1.47Å | 1.47Å | |
| C13 | O14 | doub | 1.21Å | 1.22Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | O23 | doub | 1.21Å | 1.21Å | |
| C22 | C24 | sing | 1.51Å | 1.53Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C11 | H40 | sing | 1.09Å | 1.10Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H44 | sing | 1.09Å | 1.10Å | |
| C20 | H45 | sing | 1.09Å | 1.10Å | |
| C21 | H47 | sing | 1.09Å | 1.10Å | |
| C21 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C26 | H49 | sing | 1.08Å | 1.08Å | |
| C27 | H50 | sing | 1.08Å | 1.08Å | |
| C28 | H51 | sing | 1.08Å | 1.08Å | |
| C1 | H31 | sing | 1.08Å | 1.08Å | |
| C3 | H32 | sing | 1.08Å | 1.08Å | |
| C4 | H33 | sing | 1.08Å | 1.08Å | |
| C5 | H34 | sing | 1.08Å | 1.08Å | |
| C6 | H35 | sing | 1.08Å | 1.08Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.08Å | 1.08Å | |
| C30 | H53 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.6° | 120.0° |
| C1 | C2 | C3 | 118.6° | 120.0° |
| C1 | C2 | C7 | 120.7° | 120.0° |
| C2 | C1 | H31 | 119.7° | 120.0° |
| C1 | C6 | C5 | 120.3° | 120.0° |
| C6 | C1 | H31 | 119.7° | 120.0° |
| C1 | C6 | H35 | 119.9° | 120.0° |
| C3 | C2 | C7 | 120.7° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C2 | C3 | H32 | 119.7° | 120.0° |
| C2 | C7 | N8 | 115.2° | 114.1° |
| C2 | C7 | C24 | 109.0° | 113.9° |
| C2 | C7 | H36 | 114.4° | 113.2° |
| C3 | C4 | C5 | 120.1° | 119.9° |
| C4 | C3 | H32 | 119.7° | 120.0° |
| C3 | C4 | H33 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.1° |
| C5 | C4 | H33 | 119.9° | 120.0° |
| C4 | C5 | H34 | 120.1° | 120.0° |
| C6 | C5 | H34 | 120.2° | 120.0° |
| C5 | C6 | H35 | 119.8° | 120.0° |
| N8 | C7 | C24 | 86.4° | 83.9° |
| C7 | N8 | C9 | 130.0° | 130.9° |
| C7 | N8 | C22 | 95.4° | 98.2° |
| N8 | C7 | H36 | 115.1° | 114.1° |
| C7 | C24 | C22 | 85.3° | 89.0° |
| C7 | C24 | C25 | 117.3° | 113.3° |
| C7 | C24 | H48 | 112.3° | 113.4° |
| C24 | C7 | H36 | 113.4° | 114.5° |
| C9 | N8 | C22 | 134.3° | 130.9° |
| N8 | C9 | C10 | 111.7° | 109.4° |
| N8 | C9 | C21 | 110.5° | 109.5° |
| N8 | C9 | H37 | 108.1° | 109.5° |
| N8 | C22 | O23 | 132.0° | 135.6° |
| N8 | C22 | C24 | 92.4° | 88.9° |
| C10 | C9 | C21 | 111.7° | 109.5° |
| C9 | C10 | C11 | 110.4° | 109.3° |
| C9 | C10 | H38 | 109.2° | 109.5° |
| C9 | C10 | H39 | 109.2° | 109.5° |
| C10 | C9 | H37 | 107.3° | 109.5° |
| C9 | C21 | C20 | 110.3° | 109.3° |
| C9 | C21 | H47 | 109.3° | 109.5° |
| C9 | C21 | H46 | 109.3° | 109.5° |
| C21 | C9 | H37 | 107.3° | 109.4° |
| C10 | C11 | N12 | 110.7° | 108.8° |
| C11 | C10 | H38 | 109.2° | 109.5° |
| C11 | C10 | H39 | 109.2° | 109.5° |
| C10 | C11 | H40 | 109.2° | 109.6° |
| C10 | C11 | H41 | 109.2° | 109.6° |
| C11 | N12 | C13 | 123.6° | 120.6° |
| C11 | N12 | C20 | 112.8° | 118.7° |
| N12 | C11 | H40 | 109.2° | 109.6° |
| N12 | C11 | H41 | 109.2° | 109.6° |
| C13 | N12 | C20 | 115.7° | 120.6° |
| N12 | C13 | O14 | 124.8° | 120.0° |
| N12 | C13 | H1 | 117.6° | 120.0° |
| N12 | C20 | C21 | 110.6° | 108.8° |
| N12 | C20 | H44 | 109.2° | 109.6° |
| N12 | C20 | H45 | 109.2° | 109.7° |
| O14 | C13 | H1 | 117.6° | 120.0° |
| C21 | C20 | H44 | 109.2° | 109.6° |
| C21 | C20 | H45 | 109.2° | 109.6° |
| C20 | C21 | H47 | 109.3° | 109.5° |
| C20 | C21 | H46 | 109.2° | 109.5° |
| O23 | C22 | C24 | 135.5° | 135.6° |
| C22 | C24 | C25 | 113.0° | 113.3° |
| C22 | C24 | H48 | 112.9° | 113.3° |
| C24 | C25 | C26 | 120.8° | 120.0° |
| C24 | C25 | C30 | 120.6° | 120.0° |
| C25 | C24 | H48 | 113.2° | 112.6° |
| C26 | C25 | C30 | 118.6° | 120.0° |
| C25 | C26 | C27 | 120.6° | 120.0° |
| C25 | C26 | H49 | 119.7° | 120.0° |
| C25 | C30 | C29 | 120.6° | 120.0° |
| C25 | C30 | H53 | 119.7° | 120.0° |
| C26 | C27 | C28 | 120.2° | 120.0° |
| C27 | C26 | H49 | 119.7° | 119.9° |
| C26 | C27 | H50 | 119.9° | 120.0° |
| C27 | C28 | C29 | 119.8° | 120.0° |
| C28 | C27 | H50 | 119.9° | 120.0° |
| C27 | C28 | H51 | 120.1° | 120.0° |
| C28 | C29 | C30 | 120.2° | 120.0° |
| C29 | C28 | H51 | 120.1° | 120.0° |
| C28 | C29 | H52 | 119.9° | 120.0° |
| C30 | C29 | H52 | 119.9° | 120.0° |
| C29 | C30 | H53 | 119.7° | 120.0° |
| H38 | C10 | H39 | 109.5° | 109.5° |
| H40 | C11 | H41 | 109.5° | 109.6° |
| H44 | C20 | H45 | 109.5° | 109.6° |
| H47 | C21 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H31 | 180.0° | 179.6° |
| C1 | C2 | C3 | C7 | 179.4° | 179.9° |
| C1 | C2 | C3 | C4 | 2.4° | 0.0° |
| C2 | C1 | C6 | C5 | 0.8° | 0.2° |
| C1 | C2 | C7 | N8 | 131.8° | 159.5° |
| C1 | C2 | C7 | C24 | 133.1° | 106.4° |
| C1 | C2 | C3 | H32 | 177.6° | 179.9° |
| C2 | C1 | C6 | H35 | 179.2° | 179.9° |
| C1 | C2 | C7 | H36 | 4.9° | 26.7° |
| C6 | C1 | C2 | C3 | 0.8° | 0.1° |
| C6 | C1 | C2 | C7 | 179.8° | 179.9° |
| C1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C1 | C6 | C5 | H35 | 180.0° | 179.9° |
| C1 | C6 | C5 | H34 | 179.3° | 179.9° |
| C2 | C3 | C4 | H32 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 2.6° | 0.0° |
| C3 | C2 | C7 | N8 | 47.7° | 20.5° |
| C3 | C2 | C7 | C24 | 47.5° | 73.5° |
| C3 | C2 | C1 | H31 | 179.2° | 179.7° |
| C2 | C3 | C4 | H33 | 177.4° | 180.0° |
| C3 | C2 | C7 | H36 | 175.7° | 153.3° |
| C7 | C2 | C3 | C4 | 178.1° | 180.0° |
| C2 | C7 | N8 | C24 | 109.4° | 113.5° |
| C2 | C7 | N8 | H36 | 136.4° | 132.4° |
| C2 | C7 | C24 | H36 | 128.7° | 132.6° |
| C2 | C7 | N8 | C9 | 70.3° | 66.2° |
| C2 | C7 | N8 | C22 | 104.0° | 113.8° |
| C2 | C7 | C24 | C22 | 110.6° | 113.9° |
| C2 | C7 | C24 | C25 | 135.8° | 131.1° |
| C2 | C7 | C24 | H48 | 2.2° | 1.1° |
| C7 | C2 | C1 | H31 | 0.2° | 0.4° |
| C7 | C2 | C3 | H32 | 1.9° | 0.0° |
| C3 | C4 | C5 | H33 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C3 | C4 | C5 | H34 | 179.0° | 180.0° |
| C4 | C5 | C6 | H34 | 180.0° | 180.0° |
| C5 | C4 | C3 | H32 | 177.4° | 180.0° |
| C4 | C5 | C6 | H35 | 179.3° | 180.0° |
| C5 | C6 | C1 | H31 | 179.2° | 179.7° |
| C6 | C5 | C4 | H33 | 179.0° | 180.0° |
| N8 | C7 | C24 | H36 | 115.8° | 113.8° |
| C7 | N8 | C9 | C22 | 172.0° | 180.0° |
| C7 | N8 | C9 | C10 | 140.1° | 120.0° |
| C7 | N8 | C9 | C21 | 95.0° | 120.0° |
| C7 | N8 | C22 | O23 | 177.8° | 180.0° |
| N8 | C7 | C24 | C22 | 4.8° | 0.2° |
| N8 | C7 | C24 | C25 | 108.7° | 115.2° |
| N8 | C7 | C24 | H48 | 117.7° | 114.8° |
| C7 | N8 | C9 | H37 | 22.2° | 0.0° |
| C24 | C7 | N8 | C9 | 179.7° | 179.7° |
| C7 | C24 | C22 | O23 | 178.4° | 179.9° |
| C7 | C24 | C22 | C25 | 117.7° | 115.0° |
| C7 | C24 | C22 | H48 | 112.2° | 115.2° |
| C7 | C24 | C25 | H48 | 133.2° | 130.3° |
| C7 | C24 | C25 | C26 | 57.0° | 121.0° |
| C7 | C24 | C25 | C30 | 121.2° | 58.7° |
| N8 | C9 | C10 | C21 | 124.3° | 120.0° |
| N8 | C9 | C10 | H37 | 118.3° | 120.0° |
| N8 | C9 | C21 | H37 | 117.7° | 120.0° |
| N8 | C9 | C10 | C11 | 177.7° | 178.6° |
| N8 | C9 | C21 | C20 | 178.4° | 178.6° |
| C9 | N8 | C22 | O23 | 4.0° | 0.0° |
| C9 | N8 | C22 | C24 | 179.4° | 179.7° |
| N8 | C9 | C10 | H38 | 62.2° | 61.4° |
| N8 | C9 | C10 | H39 | 57.5° | 58.7° |
| N8 | C9 | C21 | H47 | 58.3° | 58.7° |
| N8 | C9 | C21 | H46 | 61.5° | 61.4° |
| C9 | N8 | C7 | H36 | 66.1° | 66.1° |
| C22 | N8 | C9 | C10 | 31.9° | 60.0° |
| C22 | N8 | C9 | C21 | 93.0° | 60.0° |
| N8 | C22 | O23 | C24 | 175.2° | 179.6° |
| N8 | C22 | C24 | C25 | 112.5° | 115.2° |
| N8 | C22 | C24 | H48 | 117.4° | 114.9° |
| C22 | N8 | C7 | H36 | 119.6° | 113.9° |
| C22 | N8 | C9 | H37 | 149.8° | 180.0° |
| C10 | C9 | C21 | H37 | 117.4° | 120.1° |
| C9 | C10 | C11 | H38 | 120.1° | 120.0° |
| C9 | C10 | C11 | H39 | 120.1° | 120.0° |
| C9 | C10 | C11 | N12 | 55.0° | 54.6° |
| C10 | C9 | C21 | C20 | 53.4° | 61.4° |
| C9 | C10 | H38 | H39 | 119.6° | 120.1° |
| C9 | C10 | C11 | H40 | 65.2° | 65.2° |
| C9 | C10 | C11 | H41 | 175.2° | 174.5° |
| C10 | C9 | C21 | H47 | 66.7° | 178.7° |
| C10 | C9 | C21 | H46 | 173.6° | 58.6° |
| C21 | C9 | C10 | C11 | 53.3° | 61.4° |
| C9 | C21 | C20 | N12 | 55.3° | 54.7° |
| C9 | C21 | C20 | H47 | 120.1° | 119.9° |
| C9 | C21 | C20 | H46 | 120.1° | 120.0° |
| C21 | C9 | C10 | H38 | 173.5° | 58.6° |
| C21 | C9 | C10 | H39 | 66.8° | 178.7° |
| C9 | C21 | C20 | H44 | 64.8° | 174.5° |
| C9 | C21 | C20 | H45 | 175.5° | 65.3° |
| C9 | C21 | H47 | H46 | 119.6° | 120.1° |
| C10 | C11 | N12 | H40 | 120.2° | 119.8° |
| C10 | C11 | N12 | H41 | 120.2° | 119.8° |
| C10 | C11 | N12 | C13 | 153.5° | 126.4° |
| C10 | C11 | N12 | C20 | 59.0° | 53.6° |
| C11 | C10 | H38 | H39 | 119.6° | 120.0° |
| C10 | C11 | H40 | H41 | 119.5° | 120.4° |
| C11 | C10 | C9 | H37 | 64.0° | 58.6° |
| C11 | N12 | C13 | C20 | 146.7° | 180.0° |
| C11 | N12 | C13 | O14 | 168.3° | 180.0° |
| C11 | N12 | C20 | C21 | 59.1° | 53.6° |
| N12 | C11 | C10 | H38 | 175.1° | 65.3° |
| N12 | C11 | C10 | H39 | 65.1° | 174.6° |
| N12 | C11 | H40 | H41 | 119.5° | 120.3° |
| C11 | N12 | C13 | H1 | 11.7° | 0.0° |
| C11 | N12 | C20 | H44 | 61.1° | 173.4° |
| C11 | N12 | C20 | H45 | 179.2° | 66.2° |
| N12 | C13 | O14 | H1 | 180.0° | 179.9° |
| C13 | N12 | C20 | C21 | 150.6° | 126.3° |
| C13 | N12 | C11 | H40 | 86.4° | 113.8° |
| C13 | N12 | C11 | H41 | 33.3° | 6.5° |
| C13 | N12 | C20 | H44 | 89.2° | 6.6° |
| C13 | N12 | C20 | H45 | 30.5° | 113.8° |
| C20 | N12 | C13 | O14 | 21.6° | 0.1° |
| N12 | C20 | C21 | H44 | 120.1° | 119.8° |
| N12 | C20 | C21 | H45 | 120.2° | 119.9° |
| C20 | N12 | C11 | H40 | 61.2° | 66.2° |
| C20 | N12 | C11 | H41 | 179.1° | 173.4° |
| C20 | N12 | C13 | H1 | 158.4° | 180.0° |
| N12 | C20 | H44 | H45 | 119.5° | 120.4° |
| N12 | C20 | C21 | H47 | 64.8° | 174.6° |
| N12 | C20 | C21 | H46 | 175.4° | 65.3° |
| C21 | C20 | H44 | H45 | 119.5° | 120.2° |
| C20 | C21 | H47 | H46 | 119.6° | 120.1° |
| C20 | C21 | C9 | H37 | 63.9° | 58.7° |
| O23 | C22 | C24 | C25 | 63.9° | 65.1° |
| O23 | C22 | C24 | H48 | 66.2° | 64.8° |
| C22 | C24 | C25 | H48 | 130.0° | 130.2° |
| C22 | C24 | C25 | C26 | 153.8° | 139.5° |
| C22 | C24 | C25 | C30 | 24.4° | 40.7° |
| C22 | C24 | C7 | H36 | 120.6° | 113.5° |
| C24 | C25 | C26 | C30 | 178.2° | 179.7° |
| C24 | C25 | C26 | C27 | 179.6° | 180.0° |
| C24 | C25 | C30 | C29 | 179.7° | 179.8° |
| C24 | C25 | C26 | H49 | 0.4° | 0.0° |
| C25 | C24 | C7 | H36 | 7.1° | 1.5° |
| C24 | C25 | C30 | H53 | 0.3° | 0.0° |
| C25 | C26 | C27 | H49 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C25 | C30 | C29 | 1.5° | 0.5° |
| C26 | C25 | C24 | H48 | 76.2° | 9.3° |
| C25 | C26 | C27 | H50 | 180.0° | 180.0° |
| C26 | C25 | C30 | H53 | 178.5° | 179.7° |
| C30 | C25 | C26 | C27 | 1.4° | 0.3° |
| C25 | C30 | C29 | C28 | 0.3° | 0.5° |
| C25 | C30 | C29 | H53 | 180.0° | 179.8° |
| C30 | C25 | C24 | H48 | 105.6° | 170.9° |
| C30 | C25 | C26 | H49 | 178.6° | 179.7° |
| C25 | C30 | C29 | H52 | 179.7° | 179.7° |
| C26 | C27 | C28 | H50 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 1.2° | 0.0° |
| C26 | C27 | C28 | H51 | 178.8° | 180.0° |
| C27 | C28 | C29 | H51 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 1.1° | 0.3° |
| C28 | C27 | C26 | H49 | 179.9° | 180.0° |
| C27 | C28 | C29 | H52 | 178.9° | 180.0° |
| C28 | C29 | C30 | H52 | 180.0° | 179.8° |
| C29 | C28 | C27 | H50 | 178.8° | 180.0° |
| C28 | C29 | C30 | H53 | 179.7° | 179.7° |
| C30 | C29 | C28 | H51 | 178.9° | 179.8° |
| H38 | C10 | C11 | H40 | 55.0° | 174.9° |
| H38 | C10 | C11 | H41 | 64.7° | 54.5° |
| H38 | C10 | C9 | H37 | 56.1° | 178.6° |
| H39 | C10 | C11 | H40 | 174.7° | 54.8° |
| H39 | C10 | C11 | H41 | 55.0° | 65.5° |
| H39 | C10 | C9 | H37 | 175.8° | 61.3° |
| H44 | C20 | C21 | H47 | 175.0° | 65.6° |
| H44 | C20 | C21 | H46 | 55.3° | 54.5° |
| H45 | C20 | C21 | H47 | 55.4° | 54.6° |
| H45 | C20 | C21 | H46 | 64.4° | 174.7° |
| H47 | C21 | C9 | H37 | 175.9° | 61.3° |
| H46 | C21 | C9 | H37 | 56.2° | 178.6° |
| H48 | C24 | C7 | H36 | 126.5° | 131.4° |
| H49 | C26 | C27 | H50 | 0.1° | 0.0° |
| H50 | C27 | C28 | H51 | 1.2° | 0.0° |
| H51 | C28 | C29 | H52 | 1.1° | 0.0° |
| H31 | C1 | C6 | H35 | 0.8° | 0.4° |
| H32 | C3 | C4 | H33 | 2.6° | 0.0° |
| H33 | C4 | C5 | H34 | 1.0° | 0.0° |
| H34 | C5 | C6 | H35 | 0.7° | 0.0° |
| H52 | C29 | C30 | H53 | 0.3° | 0.0° |
