9FL
結合
| 原子1 | 原子2 | 結合種別 | 距離 （実験モデル） | 距離 （理想モデル） | 属性 |
| C7 | C6 | doub | 1.38Å | 1.39Å | 芳香族 |
| C7 | C8 | sing | 1.38Å | 1.39Å | 芳香族 |
| C6 | C5 | sing | 1.38Å | 1.39Å | 芳香族 |
| C8 | C8A | doub | 1.38Å | 1.33Å | 芳香族 |
| C5 | C4B | doub | 1.40Å | 1.33Å | 芳香族 |
| C8A | C4B | sing | 1.39Å | 1.33Å | 芳香族 |
| C8A | C9 | sing | 1.51Å | 1.39Å | |
| C4B | C4A | sing | 1.48Å | 1.33Å | |
| C9 | C9A | sing | 1.51Å | 1.39Å | |
| C4A | C9A | doub | 1.39Å | 1.33Å | 芳香族 |
| C4A | C4 | sing | 1.40Å | 1.33Å | 芳香族 |
| C9A | C1 | sing | 1.38Å | 1.33Å | 芳香族 |
| C4 | C3 | doub | 1.38Å | 1.39Å | 芳香族 |
| C1 | C2 | doub | 1.38Å | 1.39Å | 芳香族 |
| C3 | C2 | sing | 1.38Å | 1.39Å | 芳香族 |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å |
角度
| 原子1 | 原子2 | 原子3 | 角度 （実験モデル） | 角度 （理想モデル） |
| C6 | C7 | C8 | 118.1° | 120.1° |
| C7 | C6 | C5 | 118.4° | 120.2° |
| C6 | C7 | H4 | 121.0° | 120.0° |
| C7 | C6 | H6 | 120.8° | 119.8° |
| C7 | C8 | C8A | 120.7° | 120.0° |
| C7 | C8 | H3 | 119.7° | 120.0° |
| C8 | C7 | H4 | 121.0° | 119.9° |
| C6 | C5 | C4B | 120.8° | 120.0° |
| C5 | C6 | H6 | 120.8° | 120.0° |
| C6 | C5 | H7 | 119.6° | 119.9° |
| C8 | C8A | C4B | 121.3° | 120.3° |
| C8 | C8A | C9 | 130.4° | 132.2° |
| C8A | C8 | H3 | 119.7° | 120.0° |
| C5 | C4B | C8A | 120.7° | 119.3° |
| C5 | C4B | C4A | 130.1° | 131.2° |
| C4B | C5 | H7 | 119.6° | 120.1° |
| C4B | C8A | C9 | 108.3° | 107.5° |
| C8A | C4B | C4A | 109.1° | 109.5° |
| C8A | C9 | C9A | 105.1° | 106.1° |
| C8A | C9 | H1 | 110.6° | 110.1° |
| C8A | C9 | H2 | 110.6° | 110.2° |
| C4B | C4A | C9A | 109.2° | 109.5° |
| C4B | C4A | C4 | 130.0° | 131.2° |
| C9 | C9A | C4A | 108.2° | 107.5° |
| C9 | C9A | C1 | 130.4° | 132.2° |
| C9A | C9 | H1 | 110.5° | 110.1° |
| C9A | C9 | H2 | 110.6° | 110.1° |
| C9A | C4A | C4 | 120.8° | 119.3° |
| C4A | C9A | C1 | 121.3° | 120.3° |
| C4A | C4 | C3 | 120.7° | 120.0° |
| C4A | C4 | H12 | 119.7° | 120.1° |
| C9A | C1 | C2 | 120.5° | 120.0° |
| C9A | C1 | H8 | 119.8° | 120.0° |
| C4 | C3 | C2 | 118.4° | 120.2° |
| C4 | C3 | H11 | 120.8° | 120.0° |
| C3 | C4 | H12 | 119.6° | 119.9° |
| C1 | C2 | C3 | 118.2° | 120.1° |
| C2 | C1 | H8 | 119.7° | 120.0° |
| C1 | C2 | H9 | 120.9° | 119.9° |
| C3 | C2 | H9 | 120.9° | 120.0° |
| C2 | C3 | H11 | 120.8° | 119.8° |
| H1 | C9 | H2 | 109.5° | 110.1° |
二面角
| 原子1 | 原子2 | 原子3 | 原子4 | 角度 （実験モデル） | 角度 （理想モデル） |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C7 | C8 | C8A | 0.3° | 0.1° |
| C7 | C6 | C5 | C4B | 0.2° | 0.0° |
| C6 | C7 | C8 | H3 | 179.7° | 180.0° |
| C7 | C6 | C5 | H7 | 179.8° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | C8 | C8A | H3 | 180.0° | 180.0° |
| C7 | C8 | C8A | C4B | 0.6° | 0.0° |
| C7 | C8 | C8A | C9 | 177.6° | 180.0° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C6 | C5 | C4B | H7 | 180.0° | 179.9° |
| C6 | C5 | C4B | C8A | 0.1° | 0.1° |
| C6 | C5 | C4B | C4A | 178.3° | 180.0° |
| C5 | C6 | C7 | H4 | 179.9° | 180.0° |
| C8 | C8A | C4B | C5 | 0.5° | 0.0° |
| C8 | C8A | C4B | C9 | 178.6° | 180.0° |
| C8 | C8A | C4B | C4A | 178.2° | 180.0° |
| C8 | C8A | C9 | C9A | 177.7° | 180.0° |
| C8 | C8A | C9 | H1 | 63.0° | 60.8° |
| C8 | C8A | C9 | H2 | 58.4° | 60.8° |
| C8A | C8 | C7 | H4 | 179.7° | 180.0° |
| C5 | C4B | C8A | C4A | 178.7° | 180.0° |
| C5 | C4B | C8A | C9 | 178.0° | 180.0° |
| C5 | C4B | C4A | C9A | 179.7° | 179.9° |
| C5 | C4B | C4A | C4 | 0.0° | 0.1° |
| C4B | C5 | C6 | H6 | 179.8° | 179.9° |
| C4B | C8A | C9 | C9A | 3.9° | 0.0° |
| C8A | C4B | C4A | C9A | 1.1° | 0.0° |
| C8A | C4B | C4A | C4 | 178.6° | 180.0° |
| C4B | C8A | C9 | H1 | 115.4° | 119.2° |
| C4B | C8A | C9 | H2 | 123.2° | 119.2° |
| C4B | C8A | C8 | H3 | 179.4° | 180.0° |
| C8A | C4B | C5 | H7 | 179.9° | 180.0° |
| C9 | C8A | C4B | C4A | 3.2° | 0.0° |
| C8A | C9 | C9A | H1 | 119.3° | 119.2° |
| C8A | C9 | C9A | H2 | 119.3° | 119.2° |
| C8A | C9 | C9A | C4A | 3.3° | 0.0° |
| C8A | C9 | C9A | C1 | 177.9° | 180.0° |
| C8A | C9 | H1 | H2 | 122.0° | 121.7° |
| C9 | C8A | C8 | H3 | 2.4° | 0.0° |
| C4B | C4A | C9A | C9 | 1.4° | 0.0° |
| C4B | C4A | C9A | C4 | 179.8° | 180.0° |
| C4B | C4A | C9A | C1 | 179.7° | 180.0° |
| C4B | C4A | C4 | C3 | 179.7° | 180.0° |
| C4A | C4B | C5 | H7 | 1.7° | 0.1° |
| C4B | C4A | C4 | H12 | 0.3° | 0.0° |
| C9 | C9A | C4A | C1 | 178.9° | 180.0° |
| C9 | C9A | C4A | C4 | 178.8° | 180.0° |
| C9 | C9A | C1 | C2 | 178.4° | 180.0° |
| C9A | C9 | H1 | H2 | 122.0° | 121.6° |
| C9 | C9A | C1 | H8 | 1.6° | 0.1° |
| C9A | C4A | C4 | C3 | 0.0° | 0.0° |
| C4A | C9A | C1 | C2 | 0.2° | 0.0° |
| C4A | C9A | C9 | H1 | 116.1° | 119.2° |
| C4A | C9A | C9 | H2 | 122.6° | 119.2° |
| C4A | C9A | C1 | H8 | 179.8° | 179.9° |
| C9A | C4A | C4 | H12 | 180.0° | 180.0° |
| C4 | C4A | C9A | C1 | 0.1° | 0.0° |
| C4A | C4 | C3 | H12 | 180.0° | 180.0° |
| C4A | C4 | C3 | C2 | 0.1° | 0.0° |
| C4A | C4 | C3 | H11 | 179.9° | 179.9° |
| C9A | C1 | C2 | H8 | 180.0° | 179.9° |
| C9A | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C9A | C9 | H1 | 62.7° | 60.8° |
| C1 | C9A | C9 | H2 | 58.6° | 60.8° |
| C9A | C1 | C2 | H9 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H11 | 180.0° | 179.9° |
| C4 | C3 | C2 | H9 | 179.8° | 180.0° |
| C1 | C2 | C3 | H9 | 180.0° | 180.0° |
| C1 | C2 | C3 | H11 | 179.8° | 179.9° |
| C3 | C2 | C1 | H8 | 179.8° | 179.9° |
| C2 | C3 | C4 | H12 | 179.9° | 180.0° |
| H3 | C8 | C7 | H4 | 0.3° | 0.0° |
| H4 | C7 | C6 | H6 | 0.1° | 0.1° |
| H6 | C6 | C5 | H7 | 0.2° | 0.0° |
| H8 | C1 | C2 | H9 | 0.2° | 0.1° |
| H9 | C2 | C3 | H11 | 0.2° | 0.1° |
| H11 | C3 | C4 | H12 | 0.1° | 0.1° |
