1F8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | SD | sing | 1.81Å | 1.76Å | |
| SD | HSD | sing | 1.35Å | 1.30Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | N17 | sing | 1.47Å | 1.45Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| N17 | C18 | sing | 1.35Å | 1.33Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| O19 | C18 | doub | 1.22Å | 1.22Å | |
| C18 | C20 | sing | 1.47Å | 1.48Å | |
| C20 | C24 | doub | 1.36Å | 1.48Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.48Å | Aromatic |
| C21 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| O23 | C22 | sing | 1.35Å | 1.34Å | Aromatic |
| C22 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | O23 | sing | 1.34Å | 1.38Å | Aromatic |
| C29 | C24 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | SD | HSD | 102.0° | 103.0° |
| SD | C15 | C16 | 108.4° | 109.5° |
| SD | C15 | H15 | 109.9° | 109.5° |
| SD | C15 | H15A | 109.8° | 109.5° |
| C16 | C15 | H15 | 109.8° | 109.5° |
| C16 | C15 | H15A | 109.9° | 109.5° |
| C15 | C16 | N17 | 106.2° | 109.5° |
| C15 | C16 | H16 | 110.6° | 109.5° |
| C15 | C16 | H16A | 110.6° | 109.4° |
| H15 | C15 | H15A | 109.1° | 109.4° |
| N17 | C16 | H16 | 110.6° | 109.5° |
| N17 | C16 | H16A | 110.6° | 109.5° |
| C16 | N17 | C18 | 124.8° | 120.0° |
| C16 | N17 | HN17 | 117.6° | 120.0° |
| H16 | C16 | H16A | 108.4° | 109.5° |
| C18 | N17 | HN17 | 117.6° | 120.0° |
| N17 | C18 | O19 | 121.3° | 120.0° |
| N17 | C18 | C20 | 119.3° | 120.0° |
| O19 | C18 | C20 | 119.4° | 120.0° |
| C18 | C20 | C24 | 129.8° | 127.1° |
| C18 | C20 | C21 | 123.0° | 127.1° |
| C24 | C20 | C21 | 107.2° | 105.7° |
| C20 | C24 | O23 | 105.4° | 109.8° |
| C20 | C24 | C29 | 135.7° | 125.1° |
| C20 | C21 | C28 | 134.7° | 134.3° |
| C20 | C21 | C22 | 102.7° | 105.4° |
| C28 | C21 | C22 | 122.6° | 120.3° |
| C21 | C28 | C27 | 117.2° | 119.7° |
| C21 | C28 | H28 | 121.4° | 120.2° |
| C21 | C22 | O23 | 114.5° | 107.6° |
| C21 | C22 | C25 | 120.1° | 119.3° |
| O23 | C22 | C25 | 125.4° | 133.1° |
| C22 | O23 | C24 | 110.2° | 111.4° |
| C22 | C25 | C26 | 118.4° | 119.9° |
| C22 | C25 | H25 | 120.8° | 120.0° |
| O23 | C24 | C29 | 119.0° | 125.1° |
| C24 | C29 | H29 | 109.5° | 109.5° |
| C24 | C29 | H29A | 109.5° | 109.5° |
| C24 | C29 | H29B | 109.5° | 109.5° |
| C26 | C25 | H25 | 120.8° | 120.0° |
| C25 | C26 | C27 | 120.8° | 120.7° |
| C25 | C26 | H26 | 119.6° | 119.7° |
| C27 | C26 | H26 | 119.6° | 119.7° |
| C26 | C27 | C28 | 120.9° | 120.2° |
| C26 | C27 | H27 | 119.5° | 119.9° |
| C28 | C27 | H27 | 119.6° | 119.9° |
| C27 | C28 | H28 | 121.4° | 120.2° |
| H29 | C29 | H29A | 109.4° | 109.5° |
| H29 | C29 | H29B | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SD | C15 | C16 | H15 | 120.0° | 120.0° |
| SD | C15 | C16 | H15A | 120.0° | 120.0° |
| SD | C15 | H15 | H15A | 120.4° | 120.0° |
| SD | C15 | C16 | N17 | 75.6° | 180.0° |
| SD | C15 | C16 | H16 | 44.3° | 60.0° |
| SD | C15 | C16 | H16A | 164.4° | 60.0° |
| HSD | SD | C15 | C16 | 180.0° | 180.0° |
| HSD | SD | C15 | H15 | 60.0° | 60.0° |
| HSD | SD | C15 | H15A | 60.0° | 60.0° |
| C16 | C15 | H15 | H15A | 120.5° | 120.0° |
| C15 | C16 | N17 | H16 | 120.0° | 120.0° |
| C15 | C16 | N17 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16A | 121.3° | 120.0° |
| C15 | C16 | N17 | C18 | 179.0° | 180.0° |
| C15 | C16 | N17 | HN17 | 1.0° | 0.0° |
| H15 | C15 | C16 | N17 | 164.3° | 60.0° |
| H15 | C15 | C16 | H16 | 75.7° | 180.0° |
| H15 | C15 | C16 | H16A | 44.3° | 60.0° |
| H15A | C15 | C16 | N17 | 44.3° | 60.0° |
| H15A | C15 | C16 | H16 | 164.3° | 60.0° |
| H15A | C15 | C16 | H16A | 75.6° | 180.0° |
| N17 | C16 | H16 | H16A | 121.3° | 120.0° |
| C16 | N17 | C18 | HN17 | 180.0° | 179.9° |
| C16 | N17 | C18 | O19 | 0.7° | 0.1° |
| C16 | N17 | C18 | C20 | 179.5° | 180.0° |
| H16 | C16 | N17 | C18 | 59.0° | 60.0° |
| H16 | C16 | N17 | HN17 | 121.0° | 120.0° |
| H16A | C16 | N17 | C18 | 61.0° | 60.1° |
| H16A | C16 | N17 | HN17 | 119.0° | 120.0° |
| N17 | C18 | O19 | C20 | 179.8° | 179.9° |
| N17 | C18 | C20 | C24 | 55.8° | 90.0° |
| N17 | C18 | C20 | C21 | 126.2° | 90.3° |
| HN17 | N17 | C18 | O19 | 179.3° | 180.0° |
| HN17 | N17 | C18 | C20 | 0.5° | 0.1° |
| O19 | C18 | C20 | C24 | 124.3° | 89.9° |
| O19 | C18 | C20 | C21 | 53.6° | 89.7° |
| C18 | C20 | C24 | C21 | 178.2° | 179.7° |
| C18 | C20 | C21 | C28 | 1.1° | 0.1° |
| C18 | C20 | C21 | C22 | 179.2° | 180.0° |
| C18 | C20 | C24 | O23 | 179.1° | 179.8° |
| C18 | C20 | C24 | C29 | 2.1° | 0.0° |
| C24 | C20 | C21 | C28 | 179.5° | 179.8° |
| C24 | C20 | C21 | C22 | 0.8° | 0.3° |
| C20 | C24 | O23 | C22 | 0.7° | 0.5° |
| C20 | C24 | O23 | C29 | 179.0° | 179.8° |
| C20 | C24 | C29 | H29 | 178.7° | 90.0° |
| C20 | C24 | C29 | H29A | 61.3° | 150.0° |
| C20 | C24 | C29 | H29B | 58.7° | 30.0° |
| C20 | C21 | C28 | C22 | 179.6° | 179.9° |
| C20 | C21 | C22 | O23 | 0.5° | 0.0° |
| C20 | C21 | C22 | C25 | 179.5° | 180.0° |
| C21 | C20 | C24 | O23 | 0.9° | 0.5° |
| C21 | C20 | C24 | C29 | 179.7° | 179.7° |
| C20 | C21 | C28 | C27 | 179.3° | 180.0° |
| C20 | C21 | C28 | H28 | 0.7° | 0.0° |
| C28 | C21 | C22 | O23 | 179.8° | 180.0° |
| C28 | C21 | C22 | C25 | 0.2° | 0.1° |
| C21 | C28 | C27 | C26 | 0.3° | 0.1° |
| C21 | C28 | C27 | H28 | 180.0° | 179.9° |
| C21 | C28 | C27 | H27 | 179.7° | 179.9° |
| C21 | C22 | O23 | C25 | 180.0° | 179.9° |
| C21 | C22 | O23 | C24 | 0.1° | 0.3° |
| C21 | C22 | C25 | C26 | 0.0° | 0.1° |
| C21 | C22 | C25 | H25 | 180.0° | 180.0° |
| C22 | C21 | C28 | C27 | 0.3° | 0.1° |
| C22 | C21 | C28 | H28 | 179.7° | 179.9° |
| C22 | O23 | C24 | C29 | 179.7° | 179.7° |
| O23 | C22 | C25 | C26 | 180.0° | 180.0° |
| O23 | C22 | C25 | H25 | 0.0° | 0.1° |
| C25 | C22 | O23 | C24 | 179.9° | 179.7° |
| C22 | C25 | C26 | H25 | 180.0° | 180.0° |
| C22 | C25 | C26 | C27 | 0.1° | 0.1° |
| C22 | C25 | C26 | H26 | 179.9° | 180.0° |
| O23 | C24 | C29 | H29 | 0.0° | 89.8° |
| O23 | C24 | C29 | H29A | 120.0° | 30.2° |
| O23 | C24 | C29 | H29B | 120.0° | 150.2° |
| C24 | C29 | H29 | H29A | 120.0° | 120.0° |
| C24 | C29 | H29 | H29B | 120.0° | 120.0° |
| C24 | C29 | H29A | H29B | 120.0° | 120.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.1° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| H25 | C25 | C26 | C27 | 179.9° | 180.0° |
| H25 | C25 | C26 | H26 | 0.1° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | H28 | 179.7° | 180.0° |
| H26 | C26 | C27 | C28 | 180.0° | 180.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.0° |
| H27 | C27 | C28 | H28 | 0.3° | 0.0° |
| H29 | C29 | H29A | H29B | 120.0° | 120.0° |
