F1I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | O25 | sing | 1.43Å | 1.43Å | |
| C27 | O26 | sing | 1.43Å | 1.43Å | |
| O25 | C20 | sing | 1.36Å | 1.37Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | O26 | sing | 1.36Å | 1.37Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | N11 | sing | 1.47Å | 1.47Å | |
| C13 | C1 | sing | 1.53Å | 1.53Å | |
| C14 | N11 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | N11 | sing | 1.47Å | 1.47Å | |
| C9 | C1 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | S8 | sing | 1.81Å | 1.81Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | O4 | doub | 1.21Å | 1.22Å | |
| C3 | N2 | sing | 1.35Å | 1.33Å | |
| C1 | N2 | sing | 1.46Å | 1.45Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| S8 | HS8 | sing | 1.34Å | 1.30Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | O25 | C20 | 121.3° | 116.9° |
| O25 | C28 | H28 | 109.5° | 109.5° |
| O25 | C28 | H28A | 109.5° | 109.5° |
| O25 | C28 | H28B | 109.5° | 109.5° |
| C27 | O26 | C16 | 121.2° | 117.0° |
| O26 | C27 | H27 | 109.5° | 109.5° |
| O26 | C27 | H27A | 109.5° | 109.5° |
| O26 | C27 | H27B | 109.4° | 109.5° |
| O25 | C20 | C15 | 121.5° | 120.0° |
| O25 | C20 | C19 | 118.6° | 120.1° |
| C17 | C16 | C15 | 120.1° | 120.0° |
| C17 | C16 | O26 | 119.2° | 120.1° |
| C16 | C17 | C18 | 120.5° | 120.0° |
| C16 | C17 | H17 | 119.8° | 120.0° |
| C15 | C16 | O26 | 120.7° | 120.0° |
| C16 | C15 | C20 | 119.4° | 119.9° |
| C16 | C15 | C14 | 119.3° | 120.1° |
| C17 | C18 | C19 | 119.4° | 120.1° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C17 | C18 | H18 | 120.3° | 119.9° |
| C15 | C20 | C19 | 119.9° | 119.9° |
| C20 | C15 | C14 | 121.3° | 120.0° |
| C20 | C19 | C18 | 120.7° | 120.1° |
| C20 | C19 | H19 | 119.6° | 120.0° |
| C15 | C14 | N11 | 118.0° | 109.4° |
| C15 | C14 | H14 | 106.7° | 109.5° |
| C15 | C14 | H14A | 104.8° | 109.5° |
| C13 | C12 | N11 | 106.6° | 109.5° |
| C12 | C13 | C1 | 110.3° | 109.3° |
| C13 | C12 | H12 | 110.4° | 109.4° |
| C13 | C12 | H12A | 111.1° | 109.4° |
| C12 | C13 | H13 | 109.2° | 109.5° |
| C12 | C13 | H13A | 109.0° | 109.5° |
| C12 | N11 | C14 | 109.0° | 111.0° |
| C12 | N11 | C10 | 112.1° | 111.2° |
| N11 | C12 | H12 | 110.4° | 109.5° |
| N11 | C12 | H12A | 111.1° | 109.5° |
| C13 | C1 | C9 | 109.3° | 109.2° |
| C13 | C1 | N2 | 110.1° | 109.5° |
| C1 | C13 | H13 | 109.2° | 109.5° |
| C1 | C13 | H13A | 109.0° | 109.5° |
| C13 | C1 | H1 | 109.7° | 109.5° |
| C14 | N11 | C10 | 113.8° | 111.0° |
| N11 | C14 | H14 | 106.7° | 109.5° |
| N11 | C14 | H14A | 104.8° | 109.4° |
| C9 | C10 | N11 | 105.9° | 109.5° |
| C10 | C9 | C1 | 110.4° | 109.3° |
| C9 | C10 | H10 | 110.7° | 109.5° |
| C9 | C10 | H10A | 111.5° | 109.5° |
| C10 | C9 | H9 | 109.2° | 109.5° |
| C10 | C9 | H9A | 108.9° | 109.5° |
| N11 | C10 | H10 | 110.7° | 109.5° |
| N11 | C10 | H10A | 111.5° | 109.4° |
| C9 | C1 | N2 | 111.0° | 109.5° |
| C1 | C9 | H9 | 109.1° | 109.5° |
| C1 | C9 | H9A | 108.9° | 109.5° |
| C9 | C1 | H1 | 108.8° | 109.5° |
| C6 | C7 | S8 | 109.5° | 109.5° |
| C7 | C6 | C5 | 111.0° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.5° |
| C7 | C6 | H6 | 109.0° | 109.5° |
| C7 | C6 | H6A | 108.6° | 109.5° |
| S8 | C7 | H7 | 109.4° | 109.5° |
| S8 | C7 | H7A | 109.5° | 109.5° |
| C7 | S8 | HS8 | 109.5° | 103.0° |
| C6 | C5 | C3 | 110.0° | 109.5° |
| C6 | C5 | H5 | 109.3° | 109.5° |
| C6 | C5 | H5A | 109.2° | 109.5° |
| C5 | C6 | H6 | 109.0° | 109.5° |
| C5 | C6 | H6A | 108.7° | 109.5° |
| C5 | C3 | O4 | 120.2° | 120.0° |
| C5 | C3 | N2 | 115.9° | 120.0° |
| C3 | C5 | H5 | 109.3° | 109.5° |
| C3 | C5 | H5A | 109.2° | 109.4° |
| O4 | C3 | N2 | 123.8° | 120.0° |
| C3 | N2 | C1 | 122.4° | 120.0° |
| C3 | N2 | HN2 | 118.8° | 120.0° |
| N2 | C1 | H1 | 107.9° | 109.6° |
| C1 | N2 | HN2 | 118.8° | 120.0° |
| C19 | C18 | H18 | 120.3° | 119.9° |
| C18 | C19 | H19 | 119.7° | 119.9° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H27 | C27 | H27A | 109.4° | 109.4° |
| H27 | C27 | H27B | 109.4° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.4° |
| H12 | C12 | H12A | 107.3° | 109.5° |
| H13 | C13 | H13A | 110.1° | 109.5° |
| H14 | C14 | H14A | 116.4° | 109.5° |
| H10 | C10 | H10A | 106.7° | 109.5° |
| H9 | C9 | H9A | 110.3° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H5 | C5 | H5A | 109.9° | 109.5° |
| H6 | C6 | H6A | 110.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | O25 | C20 | C15 | 100.7° | 180.0° |
| C28 | O25 | C20 | C19 | 80.3° | 0.1° |
| O25 | C28 | H28 | H28A | 120.0° | 120.1° |
| O25 | C28 | H28 | H28B | 120.0° | 120.0° |
| O25 | C28 | H28A | H28B | 120.0° | 120.0° |
| C27 | O26 | C16 | C17 | 66.7° | 0.0° |
| C27 | O26 | C16 | C15 | 113.0° | 179.8° |
| O26 | C27 | H27 | H27A | 120.0° | 120.1° |
| O26 | C27 | H27 | H27B | 120.0° | 120.0° |
| O26 | C27 | H27A | H27B | 120.0° | 120.1° |
| O25 | C20 | C15 | C16 | 179.8° | 179.9° |
| O25 | C20 | C15 | C19 | 179.0° | 179.9° |
| O25 | C20 | C15 | C14 | 1.2° | 0.0° |
| O25 | C20 | C19 | C18 | 179.9° | 180.0° |
| C20 | O25 | C28 | H28 | 122.5° | 60.0° |
| C20 | O25 | C28 | H28A | 2.5° | 60.1° |
| C20 | O25 | C28 | H28B | 117.5° | 180.0° |
| O25 | C20 | C19 | H19 | 0.1° | 0.1° |
| C17 | C16 | C15 | O26 | 179.7° | 179.8° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 0.9° | 0.0° |
| C17 | C16 | C15 | C14 | 179.5° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C15 | C20 | C14 | 178.5° | 179.9° |
| C16 | C15 | C20 | C19 | 1.2° | 0.0° |
| C16 | C15 | C14 | N11 | 104.0° | 90.0° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C15 | C14 | H14 | 136.0° | 150.0° |
| C16 | C15 | C14 | H14A | 12.0° | 29.9° |
| O26 | C16 | C17 | C18 | 180.0° | 179.8° |
| O26 | C16 | C15 | C20 | 179.3° | 179.8° |
| O26 | C16 | C15 | C14 | 0.8° | 0.2° |
| C16 | O26 | C27 | H27 | 168.8° | 60.0° |
| C16 | O26 | C27 | H27A | 48.8° | 180.0° |
| C16 | O26 | C27 | H27B | 71.2° | 60.0° |
| O26 | C16 | C17 | H17 | 0.1° | 0.3° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| C20 | C15 | C14 | N11 | 77.4° | 90.0° |
| C15 | C20 | C19 | C18 | 0.9° | 0.0° |
| C20 | C15 | C14 | H14 | 42.6° | 30.0° |
| C20 | C15 | C14 | H14A | 166.6° | 150.0° |
| C15 | C20 | C19 | H19 | 179.1° | 180.0° |
| C19 | C20 | C15 | C14 | 179.8° | 179.9° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| C15 | C14 | N11 | C12 | 99.0° | 170.0° |
| C15 | C14 | N11 | H14 | 120.0° | 120.0° |
| C15 | C14 | N11 | H14A | 116.0° | 120.0° |
| C15 | C14 | N11 | C10 | 27.0° | 65.8° |
| C15 | C14 | H14 | H14A | 116.5° | 120.0° |
| C13 | C12 | N11 | H12 | 120.0° | 120.0° |
| C13 | C12 | N11 | H12A | 121.1° | 120.0° |
| C12 | C13 | C1 | H13 | 120.0° | 119.9° |
| C12 | C13 | C1 | H13A | 119.7° | 120.0° |
| C13 | C12 | N11 | C14 | 166.6° | 174.2° |
| C13 | C12 | N11 | C10 | 66.4° | 61.8° |
| C12 | C13 | C1 | C9 | 55.8° | 57.6° |
| C12 | C13 | C1 | N2 | 177.9° | 177.5° |
| C13 | C12 | H12 | H12A | 121.2° | 119.9° |
| C12 | C13 | H13 | H13A | 119.7° | 120.1° |
| C12 | C13 | C1 | H1 | 63.4° | 62.2° |
| N11 | C12 | C13 | C1 | 59.1° | 59.2° |
| C12 | N11 | C14 | C10 | 126.0° | 124.2° |
| C12 | N11 | C10 | C9 | 66.6° | 61.8° |
| N11 | C12 | H12 | H12A | 121.2° | 120.1° |
| N11 | C12 | C13 | H13 | 179.1° | 179.1° |
| N11 | C12 | C13 | H13A | 60.6° | 60.8° |
| C12 | N11 | C14 | H14 | 21.0° | 70.0° |
| C12 | N11 | C14 | H14A | 145.0° | 50.0° |
| C12 | N11 | C10 | H10 | 53.4° | 58.3° |
| C12 | N11 | C10 | H10A | 172.0° | 178.2° |
| C13 | C1 | C9 | C10 | 56.5° | 57.6° |
| C13 | C1 | C9 | N2 | 121.6° | 119.9° |
| C13 | C1 | C9 | H1 | 119.8° | 119.9° |
| C13 | C1 | N2 | C3 | 101.1° | 155.0° |
| C13 | C1 | N2 | H1 | 119.8° | 120.2° |
| C1 | C13 | C12 | H12 | 179.1° | 179.2° |
| C1 | C13 | C12 | H12A | 62.0° | 60.9° |
| C1 | C13 | H13 | H13A | 119.6° | 120.1° |
| C13 | C1 | C9 | H9 | 63.5° | 62.3° |
| C13 | C1 | C9 | H9A | 176.0° | 177.6° |
| C13 | C1 | N2 | HN2 | 78.9° | 24.9° |
| C14 | N11 | C10 | C9 | 169.0° | 174.2° |
| C14 | N11 | C12 | H12 | 46.6° | 54.2° |
| C14 | N11 | C12 | H12A | 72.3° | 65.8° |
| N11 | C14 | H14 | H14A | 116.5° | 120.0° |
| C14 | N11 | C10 | H10 | 71.0° | 65.8° |
| C14 | N11 | C10 | H10A | 47.7° | 54.2° |
| C9 | C10 | N11 | H10 | 120.0° | 120.0° |
| C9 | C10 | N11 | H10A | 121.4° | 120.0° |
| C10 | C9 | C1 | H9 | 120.0° | 119.9° |
| C10 | C9 | C1 | H9A | 119.6° | 120.0° |
| C10 | C9 | C1 | N2 | 178.0° | 177.6° |
| C9 | C10 | H10 | H10A | 121.5° | 120.0° |
| C10 | C9 | H9 | H9A | 119.6° | 120.1° |
| C10 | C9 | C1 | H1 | 63.3° | 62.3° |
| N11 | C10 | C9 | C1 | 59.9° | 59.2° |
| C10 | N11 | C12 | H12 | 173.6° | 178.3° |
| C10 | N11 | C12 | H12A | 54.7° | 58.2° |
| C10 | N11 | C14 | H14 | 147.0° | 54.2° |
| C10 | N11 | C14 | H14A | 89.0° | 174.2° |
| N11 | C10 | H10 | H10A | 121.5° | 119.9° |
| N11 | C10 | C9 | H9 | 60.0° | 60.7° |
| N11 | C10 | C9 | H9A | 179.5° | 179.2° |
| C9 | C1 | N2 | C3 | 137.8° | 85.3° |
| C9 | C1 | N2 | H1 | 119.1° | 120.1° |
| C9 | C1 | C13 | H13 | 175.8° | 177.5° |
| C9 | C1 | C13 | H13A | 63.9° | 62.4° |
| C1 | C9 | C10 | H10 | 60.0° | 60.9° |
| C1 | C9 | C10 | H10A | 178.6° | 179.1° |
| C1 | C9 | H9 | H9A | 119.6° | 120.1° |
| C9 | C1 | N2 | HN2 | 42.2° | 94.8° |
| C6 | C7 | S8 | H7 | 120.0° | 120.0° |
| C6 | C7 | S8 | H7A | 120.0° | 120.0° |
| C7 | C6 | C5 | H6 | 120.0° | 120.0° |
| C7 | C6 | C5 | H6A | 119.4° | 120.0° |
| C7 | C6 | C5 | C3 | 95.9° | 180.0° |
| C6 | C7 | H7 | H7A | 120.0° | 120.0° |
| C7 | C6 | C5 | H5 | 144.1° | 60.0° |
| C7 | C6 | C5 | H5A | 23.9° | 60.0° |
| C7 | C6 | H6 | H6A | 119.4° | 120.0° |
| C6 | C7 | S8 | HS8 | 9.9° | 180.0° |
| S8 | C7 | C6 | C5 | 93.9° | 180.0° |
| S8 | C7 | H7 | H7A | 120.0° | 120.0° |
| S8 | C7 | C6 | H6 | 146.1° | 60.0° |
| S8 | C7 | C6 | H6A | 25.5° | 60.0° |
| C6 | C5 | C3 | H5 | 120.0° | 120.0° |
| C6 | C5 | C3 | H5A | 119.8° | 120.0° |
| C6 | C5 | C3 | O4 | 79.0° | 0.0° |
| C6 | C5 | C3 | N2 | 101.4° | 180.0° |
| C5 | C6 | C7 | H7 | 146.1° | 60.0° |
| C5 | C6 | C7 | H7A | 26.1° | 60.0° |
| C6 | C5 | H5 | H5A | 119.8° | 120.0° |
| C5 | C6 | H6 | H6A | 119.4° | 120.0° |
| C5 | C3 | O4 | N2 | 179.6° | 180.0° |
| C5 | C3 | N2 | C1 | 157.3° | 180.0° |
| C3 | C5 | H5 | H5A | 119.8° | 120.0° |
| C3 | C5 | C6 | H6 | 24.1° | 60.0° |
| C3 | C5 | C6 | H6A | 144.8° | 60.0° |
| C5 | C3 | N2 | HN2 | 22.7° | 0.1° |
| O4 | C3 | N2 | C1 | 23.0° | 0.0° |
| O4 | C3 | C5 | H5 | 161.0° | 120.0° |
| O4 | C3 | C5 | H5A | 40.8° | 120.0° |
| O4 | C3 | N2 | HN2 | 157.0° | 180.0° |
| C3 | N2 | C1 | HN2 | 180.0° | 179.9° |
| N2 | C3 | C5 | H5 | 18.6° | 59.9° |
| N2 | C3 | C5 | H5A | 138.9° | 60.0° |
| C3 | N2 | C1 | H1 | 18.7° | 34.8° |
| N2 | C1 | C13 | H13 | 62.1° | 62.5° |
| N2 | C1 | C13 | H13A | 58.3° | 57.6° |
| N2 | C1 | C9 | H9 | 58.1° | 57.6° |
| N2 | C1 | C9 | H9A | 62.4° | 62.5° |
| C19 | C18 | C17 | H17 | 180.0° | 180.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 119.9° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| H12 | C12 | C13 | H13 | 60.9° | 60.9° |
| H12 | C12 | C13 | H13A | 59.4° | 59.2° |
| H12A | C12 | C13 | H13 | 57.9° | 59.1° |
| H12A | C12 | C13 | H13A | 178.3° | 179.2° |
| H13 | C13 | C1 | H1 | 56.6° | 57.7° |
| H13A | C13 | C1 | H1 | 176.9° | 177.8° |
| H10 | C10 | C9 | H9 | 180.0° | 179.2° |
| H10 | C10 | C9 | H9A | 59.5° | 59.1° |
| H10A | C10 | C9 | H9 | 61.4° | 59.2° |
| H10A | C10 | C9 | H9A | 59.1° | 60.9° |
| H9 | C9 | C1 | H1 | 176.7° | 177.8° |
| H9A | C9 | C1 | H1 | 56.3° | 57.7° |
| H7 | C7 | C6 | H6 | 26.1° | 60.0° |
| H7 | C7 | C6 | H6A | 94.5° | 180.0° |
| H7 | C7 | S8 | HS8 | 129.9° | 60.0° |
| H7A | C7 | C6 | H6 | 93.9° | NaN° |
| H7A | C7 | C6 | H6A | 145.5° | 60.1° |
| H7A | C7 | S8 | HS8 | 110.1° | 60.0° |
| H5 | C5 | C6 | H6 | 95.9° | NaN° |
| H5 | C5 | C6 | H6A | 24.8° | 60.1° |
| H5A | C5 | C6 | H6 | 143.9° | 60.0° |
| H5A | C5 | C6 | H6A | 95.4° | 180.0° |
| H1 | C1 | N2 | HN2 | 161.3° | 145.1° |
| H18 | C18 | C19 | H19 | 0.2° | 0.0° |
