F1L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | O27 | sing | 1.43Å | 1.43Å | |
| C26 | O25 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | O25 | sing | 1.36Å | 1.37Å | |
| C24 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | O27 | sing | 1.36Å | 1.38Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | S13 | sing | 1.81Å | 1.81Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | N7 | sing | 1.35Å | 1.34Å | |
| C8 | O9 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N3 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C1 | sing | 1.53Å | 1.53Å | |
| C6 | N7 | sing | 1.46Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | N3 | sing | 1.47Å | 1.47Å | |
| BR29 | C21 | sing | 1.89Å | 1.89Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | N3 | sing | 1.47Å | 1.46Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | 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 | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| S13 | HS13 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | O27 | C23 | 122.6° | 117.0° |
| O27 | C28 | H28 | 109.5° | 109.5° |
| O27 | C28 | H28A | 109.5° | 109.5° |
| O27 | C28 | H28B | 109.4° | 109.5° |
| C26 | O25 | C24 | 121.3° | 117.1° |
| O25 | C26 | H26 | 109.5° | 109.4° |
| O25 | C26 | H26A | 109.5° | 109.5° |
| O25 | C26 | H26B | 109.5° | 109.5° |
| C23 | C24 | O25 | 119.3° | 120.0° |
| C23 | C24 | C19 | 120.2° | 119.9° |
| C24 | C23 | C22 | 119.7° | 119.8° |
| C24 | C23 | O27 | 119.0° | 120.1° |
| O25 | C24 | C19 | 120.5° | 120.1° |
| C24 | C19 | C20 | 120.0° | 120.0° |
| C24 | C19 | C18 | 120.0° | 120.0° |
| C22 | C23 | O27 | 121.3° | 120.1° |
| C23 | C22 | C21 | 120.5° | 120.0° |
| C23 | C22 | H22 | 119.7° | 120.0° |
| C22 | C21 | C20 | 119.7° | 120.1° |
| C22 | C21 | BR29 | 119.9° | 120.0° |
| C21 | C22 | H22 | 119.8° | 120.0° |
| C21 | C20 | C19 | 120.0° | 120.1° |
| C20 | C21 | BR29 | 120.4° | 120.0° |
| C21 | C20 | H20 | 120.0° | 119.9° |
| C20 | C19 | C18 | 120.0° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C11 | C12 | S13 | 110.1° | 109.5° |
| C12 | C11 | C10 | 110.5° | 109.5° |
| C11 | C12 | H12 | 109.3° | 109.5° |
| C11 | C12 | H12A | 109.1° | 109.4° |
| C12 | C11 | H11 | 109.1° | 109.4° |
| C12 | C11 | H11A | 108.9° | 109.5° |
| S13 | C12 | H12 | 109.2° | 109.5° |
| S13 | C12 | H12A | 109.1° | 109.5° |
| C12 | S13 | HS13 | 109.5° | 103.0° |
| C11 | C10 | C8 | 110.5° | 109.5° |
| C10 | C11 | H11 | 109.1° | 109.4° |
| C10 | C11 | H11A | 108.9° | 109.5° |
| C11 | C10 | H10 | 109.2° | 109.4° |
| C11 | C10 | H10A | 108.9° | 109.5° |
| C10 | C8 | N7 | 116.2° | 120.0° |
| C10 | C8 | O9 | 119.9° | 120.0° |
| C8 | C10 | H10 | 109.1° | 109.5° |
| C8 | C10 | H10A | 108.9° | 109.5° |
| N7 | C8 | O9 | 124.0° | 120.0° |
| C8 | N7 | C6 | 122.6° | 120.0° |
| C8 | N7 | HN7 | 118.7° | 120.0° |
| C5 | C4 | N3 | 107.3° | 109.5° |
| C4 | C5 | C6 | 109.8° | 109.3° |
| C5 | C4 | H4 | 110.2° | 109.5° |
| C5 | C4 | H4A | 110.7° | 109.5° |
| C4 | C5 | H5 | 109.4° | 109.5° |
| C4 | C5 | H5A | 109.3° | 109.5° |
| C4 | N3 | C2 | 112.0° | 111.2° |
| C4 | N3 | C18 | 107.2° | 111.0° |
| N3 | C4 | H4 | 110.2° | 109.4° |
| N3 | C4 | H4A | 110.7° | 109.5° |
| C5 | C6 | C1 | 108.5° | 109.2° |
| C5 | C6 | N7 | 111.1° | 109.5° |
| C6 | C5 | H5 | 109.4° | 109.5° |
| C6 | C5 | H5A | 109.3° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.5° |
| C1 | C6 | N7 | 111.4° | 109.5° |
| C6 | C1 | C2 | 110.0° | 109.3° |
| C1 | C6 | H6 | 109.4° | 109.5° |
| C6 | C1 | H1 | 109.3° | 109.5° |
| C6 | C1 | H1A | 109.2° | 109.5° |
| N7 | C6 | H6 | 106.7° | 109.6° |
| C6 | N7 | HN7 | 118.7° | 120.1° |
| C1 | C2 | N3 | 107.1° | 109.5° |
| C1 | C2 | H2 | 110.3° | 109.4° |
| C1 | C2 | H2A | 110.8° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C2 | C1 | H1A | 109.2° | 109.5° |
| C2 | N3 | C18 | 111.2° | 111.0° |
| N3 | C2 | H2 | 110.3° | 109.5° |
| N3 | C2 | H2A | 110.8° | 109.4° |
| C19 | C18 | N3 | 113.4° | 109.4° |
| C19 | C18 | H18 | 108.2° | 109.5° |
| C19 | C18 | H18A | 107.3° | 109.5° |
| N3 | C18 | H18 | 108.2° | 109.5° |
| N3 | C18 | H18A | 107.3° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.4° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H26 | C26 | H26A | 109.5° | 109.4° |
| H26 | C26 | H26B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H12 | C12 | H12A | 110.0° | 109.4° |
| H11 | C11 | H11A | 110.3° | 109.5° |
| H10 | C10 | H10A | 110.2° | 109.4° |
| H4 | C4 | H4A | 107.8° | 109.5° |
| H5 | C5 | H5A | 109.7° | 109.5° |
| H2 | C2 | H2A | 107.7° | 109.4° |
| H1 | C1 | H1A | 109.9° | 109.5° |
| H18 | C18 | H18A | 112.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | O27 | C23 | C24 | 178.6° | 180.0° |
| C28 | O27 | C23 | C22 | 1.6° | 0.0° |
| O27 | C28 | H28 | H28A | 120.0° | 120.1° |
| O27 | C28 | H28 | H28B | 120.0° | 120.0° |
| O27 | C28 | H28A | H28B | 120.0° | 120.0° |
| C26 | O25 | C24 | C23 | 82.5° | 90.0° |
| C26 | O25 | C24 | C19 | 98.1° | 89.7° |
| O25 | C26 | H26 | H26A | 120.0° | 120.0° |
| O25 | C26 | H26 | H26B | 120.0° | 120.0° |
| O25 | C26 | H26A | H26B | 120.0° | 120.1° |
| C23 | C24 | O25 | C19 | 179.4° | 179.7° |
| C24 | C23 | C22 | O27 | 179.9° | 180.0° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C23 | C24 | C19 | C20 | 0.5° | 0.5° |
| C23 | C24 | C19 | C18 | 179.7° | 180.0° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| O25 | C24 | C23 | C22 | 179.6° | 179.9° |
| O25 | C24 | C23 | O27 | 0.5° | 0.1° |
| O25 | C24 | C19 | C20 | 179.9° | 179.8° |
| O25 | C24 | C19 | C18 | 0.3° | 0.3° |
| C24 | O25 | C26 | H26 | 165.0° | 60.0° |
| C24 | O25 | C26 | H26A | 75.0° | 60.0° |
| C24 | O25 | C26 | H26B | 45.1° | 180.0° |
| C19 | C24 | C23 | C22 | 0.2° | 0.3° |
| C19 | C24 | C23 | O27 | 179.9° | 179.7° |
| C24 | C19 | C20 | C21 | 0.4° | 0.4° |
| C24 | C19 | C20 | C18 | 179.8° | 179.5° |
| C24 | C19 | C18 | N3 | 123.5° | 80.0° |
| C24 | C19 | C20 | H20 | 179.6° | 179.8° |
| C24 | C19 | C18 | H18 | 3.5° | 160.0° |
| C24 | C19 | C18 | H18A | 118.3° | 40.0° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.1° |
| C23 | C22 | C21 | BR29 | 179.9° | 180.0° |
| O27 | C23 | C22 | C21 | 179.8° | 180.0° |
| C23 | O27 | C28 | H28 | 1.3° | 59.9° |
| C23 | O27 | C28 | H28A | 118.7° | 180.0° |
| C23 | O27 | C28 | H28B | 121.3° | 60.0° |
| O27 | C23 | C22 | H22 | 0.3° | 0.0° |
| C22 | C21 | C20 | BR29 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.2° |
| C22 | C21 | C20 | H20 | 179.9° | 179.9° |
| C21 | C20 | C19 | H20 | 180.0° | 179.8° |
| C21 | C20 | C19 | C18 | 179.8° | 180.0° |
| C20 | C21 | C22 | H22 | 179.8° | 179.9° |
| C19 | C20 | C21 | BR29 | 179.9° | 179.8° |
| C20 | C19 | C18 | N3 | 56.7° | 100.5° |
| C20 | C19 | C18 | H18 | 176.7° | 19.5° |
| C20 | C19 | C18 | H18A | 61.6° | 139.5° |
| C11 | C12 | S13 | H12 | 120.0° | 120.0° |
| C11 | C12 | S13 | H12A | 119.7° | 120.0° |
| C12 | C11 | C10 | H11 | 120.0° | 119.9° |
| C12 | C11 | C10 | H11A | 119.6° | 120.0° |
| C12 | C11 | C10 | C8 | 93.8° | 180.0° |
| C11 | C12 | H12 | H12A | 119.8° | 119.9° |
| C12 | C11 | H11 | H11A | 119.6° | 120.0° |
| C12 | C11 | C10 | H10 | 26.2° | 60.0° |
| C12 | C11 | C10 | H10A | 146.6° | 59.9° |
| C11 | C12 | S13 | HS13 | 153.5° | 180.0° |
| S13 | C12 | C11 | C10 | 170.1° | 180.0° |
| S13 | C12 | H12 | H12A | 119.7° | 120.0° |
| S13 | C12 | C11 | H11 | 50.1° | 60.1° |
| S13 | C12 | C11 | H11A | 70.3° | 59.9° |
| C11 | C10 | C8 | H10 | 120.0° | 120.0° |
| C11 | C10 | C8 | H10A | 119.6° | 120.1° |
| C11 | C10 | C8 | N7 | 92.8° | 180.0° |
| C11 | C10 | C8 | O9 | 87.5° | 0.0° |
| C10 | C11 | C12 | H12 | 50.2° | 59.9° |
| C10 | C11 | C12 | H12A | 70.2° | 60.0° |
| C10 | C11 | H11 | H11A | 119.5° | 120.0° |
| C11 | C10 | H10 | H10A | 119.6° | 120.0° |
| C10 | C8 | N7 | O9 | 179.7° | 180.0° |
| C10 | C8 | N7 | C6 | 166.9° | 180.0° |
| C8 | C10 | C11 | H11 | 146.2° | 60.0° |
| C8 | C10 | C11 | H11A | 25.8° | 60.0° |
| C8 | C10 | H10 | H10A | 119.6° | 120.0° |
| C10 | C8 | N7 | HN7 | 13.1° | 0.0° |
| C8 | N7 | C6 | C5 | 85.7° | 155.0° |
| C8 | N7 | C6 | C1 | 153.2° | 85.3° |
| C8 | N7 | C6 | HN7 | 180.0° | 180.0° |
| N7 | C8 | C10 | H10 | 27.2° | 60.0° |
| N7 | C8 | C10 | H10A | 147.6° | 60.0° |
| C8 | N7 | C6 | H6 | 33.8° | 34.9° |
| O9 | C8 | N7 | C6 | 13.4° | 0.0° |
| O9 | C8 | C10 | H10 | 152.5° | 120.0° |
| O9 | C8 | C10 | H10A | 32.1° | 120.0° |
| O9 | C8 | N7 | HN7 | 166.6° | 180.0° |
| C5 | C4 | N3 | H4 | 120.0° | 120.0° |
| C5 | C4 | N3 | H4A | 120.9° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 119.9° |
| C4 | C5 | C6 | H5A | 119.9° | 120.0° |
| C4 | C5 | C6 | C1 | 58.0° | 57.7° |
| C4 | C5 | C6 | N7 | 179.2° | 177.6° |
| C5 | C4 | N3 | C2 | 64.7° | 61.8° |
| C5 | C4 | N3 | C18 | 173.0° | 174.2° |
| C5 | C4 | H4 | H4A | 120.9° | 120.0° |
| C4 | C5 | H5 | H5A | 119.9° | 120.1° |
| C4 | C5 | C6 | H6 | 61.5° | 62.2° |
| N3 | C4 | C5 | C6 | 60.2° | 59.2° |
| C4 | N3 | C2 | C1 | 64.4° | 61.8° |
| C4 | N3 | C2 | C18 | 119.9° | 124.0° |
| C4 | N3 | C18 | C19 | 176.5° | 170.0° |
| N3 | C4 | H4 | H4A | 120.9° | 120.0° |
| N3 | C4 | C5 | H5 | 179.8° | 179.1° |
| N3 | C4 | C5 | H5A | 59.7° | 60.7° |
| C4 | N3 | C2 | H2 | 55.6° | 58.3° |
| C4 | N3 | C2 | H2A | 174.7° | 178.2° |
| C4 | N3 | C18 | H18 | 63.5° | 70.0° |
| C4 | N3 | C18 | H18A | 58.2° | 50.0° |
| C5 | C6 | C1 | N7 | 122.6° | 119.9° |
| C5 | C6 | C1 | H6 | 119.6° | 119.9° |
| C5 | C6 | N7 | H6 | 119.5° | 120.2° |
| C5 | C6 | C1 | C2 | 58.0° | 57.6° |
| C6 | C5 | C4 | H4 | 179.7° | 179.2° |
| C6 | C5 | C4 | H4A | 60.6° | 60.8° |
| C6 | C5 | H5 | H5A | 119.9° | 120.1° |
| C5 | C6 | C1 | H1 | 178.0° | 177.6° |
| C5 | C6 | C1 | H1A | 61.8° | 62.3° |
| C5 | C6 | N7 | HN7 | 94.3° | 25.0° |
| C1 | C6 | N7 | H6 | 119.4° | 120.2° |
| C6 | C1 | C2 | H1 | 120.0° | 120.0° |
| C6 | C1 | C2 | H1A | 119.8° | 119.9° |
| C6 | C1 | C2 | N3 | 59.8° | 59.2° |
| C1 | C6 | C5 | H5 | 178.0° | 177.6° |
| C1 | C6 | C5 | H5A | 61.9° | 62.3° |
| C6 | C1 | C2 | H2 | 60.2° | 60.9° |
| C6 | C1 | C2 | H2A | 179.3° | 179.2° |
| C6 | C1 | H1 | H1A | 119.8° | 120.1° |
| C1 | C6 | N7 | HN7 | 26.8° | 94.7° |
| N7 | C6 | C1 | C2 | 179.4° | 177.5° |
| N7 | C6 | C5 | H5 | 59.2° | 62.5° |
| N7 | C6 | C5 | H5A | 60.9° | 57.6° |
| N7 | C6 | C1 | H1 | 59.4° | 62.5° |
| N7 | C6 | C1 | H1A | 60.8° | 57.6° |
| C1 | C2 | N3 | H2 | 120.0° | 120.0° |
| C1 | C2 | N3 | H2A | 120.9° | 120.0° |
| C1 | C2 | N3 | C18 | 175.7° | 174.2° |
| C2 | C1 | C6 | H6 | 61.7° | 62.3° |
| C1 | C2 | H2 | H2A | 121.0° | 119.9° |
| C2 | C1 | H1 | H1A | 119.8° | 120.1° |
| C2 | N3 | C18 | C19 | 60.7° | 65.9° |
| C2 | N3 | C4 | H4 | 175.3° | 178.2° |
| C2 | N3 | C4 | H4A | 56.2° | 58.2° |
| N3 | C2 | H2 | H2A | 121.0° | 120.0° |
| N3 | C2 | C1 | H1 | 179.8° | 179.2° |
| N3 | C2 | C1 | H1A | 60.0° | 60.7° |
| C2 | N3 | C18 | H18 | 59.3° | 54.2° |
| C2 | N3 | C18 | H18A | 179.0° | 174.2° |
| BR29 | C21 | C22 | H22 | 0.2° | 0.0° |
| BR29 | C21 | C20 | H20 | 0.1° | 0.0° |
| C19 | C18 | N3 | H18 | 120.0° | 120.0° |
| C19 | C18 | N3 | H18A | 118.3° | 120.0° |
| C18 | C19 | C20 | H20 | 0.2° | 0.3° |
| C19 | C18 | H18 | H18A | 118.4° | 120.0° |
| C18 | N3 | C4 | H4 | 53.0° | 54.2° |
| C18 | N3 | C4 | H4A | 66.1° | 65.8° |
| C18 | N3 | C2 | H2 | 64.3° | 65.8° |
| C18 | N3 | C2 | H2A | 54.8° | 54.2° |
| N3 | C18 | H18 | H18A | 118.4° | 120.0° |
| H28 | C28 | H28A | H28B | 120.0° | 119.9° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H12 | C12 | C11 | H11 | 69.9° | 60.0° |
| H12 | C12 | C11 | H11A | 169.7° | 180.0° |
| H12 | C12 | S13 | HS13 | 33.5° | 60.0° |
| H12A | C12 | C11 | H11 | 169.8° | 179.9° |
| H12A | C12 | C11 | H11A | 49.4° | 60.1° |
| H12A | C12 | S13 | HS13 | 86.8° | 60.0° |
| H11 | C11 | C10 | H10 | 93.8° | 179.9° |
| H11 | C11 | C10 | H10A | 26.6° | 60.0° |
| H11A | C11 | C10 | H10 | 145.8° | 60.1° |
| H11A | C11 | C10 | H10A | 93.8° | 180.0° |
| H4 | C4 | C5 | H5 | 59.7° | 60.9° |
| H4 | C4 | C5 | H5A | 60.4° | 59.2° |
| H4A | C4 | C5 | H5 | 59.4° | 59.1° |
| H4A | C4 | C5 | H5A | 179.5° | 179.2° |
| H5 | C5 | C6 | H6 | 58.6° | 57.7° |
| H5A | C5 | C6 | H6 | 178.7° | 177.8° |
| H6 | C6 | C1 | H1 | 58.3° | 57.7° |
| H6 | C6 | C1 | H1A | 178.6° | 177.8° |
| H6 | C6 | N7 | HN7 | 146.2° | 145.2° |
| H2 | C2 | C1 | H1 | 59.8° | 59.1° |
| H2 | C2 | C1 | H1A | 180.0° | 179.2° |
| H2A | C2 | C1 | H1 | 59.3° | 60.9° |
| H2A | C2 | C1 | H1A | 60.9° | 59.3° |
