HFL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.45Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.38Å | 1.44Å | Aromatic |
| C2 | O9 | sing | 1.36Å | 1.38Å | |
| C3 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | C10 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | O8 | sing | 1.36Å | 1.37Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å | |
| O9 | C15 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | doub | 1.33Å | 1.37Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| C12 | O14 | sing | 1.43Å | 1.42Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.1° | 120.1° |
| C2 | C1 | O7 | 121.7° | 119.9° |
| C1 | C2 | C3 | 118.1° | 120.0° |
| C1 | C2 | O9 | 120.8° | 120.0° |
| C6 | C1 | O7 | 118.3° | 119.9° |
| C1 | C6 | C5 | 120.1° | 120.1° |
| C1 | C6 | O8 | 119.1° | 120.0° |
| C1 | O7 | H7 | 121.6° | 106.9° |
| C3 | C2 | O9 | 121.0° | 120.0° |
| C2 | C3 | C4 | 122.9° | 120.0° |
| C2 | C3 | H3 | 118.8° | 120.0° |
| C2 | O9 | C15 | 113.9° | 106.8° |
| C4 | C3 | H3 | 118.3° | 120.0° |
| C3 | C4 | C5 | 117.1° | 119.9° |
| C3 | C4 | C10 | 118.6° | 120.0° |
| C5 | C4 | C10 | 124.2° | 120.1° |
| C4 | C5 | C6 | 121.7° | 119.9° |
| C4 | C5 | H5 | 119.0° | 120.0° |
| C4 | C10 | C11 | 125.3° | 120.0° |
| C4 | C10 | H10 | 122.2° | 120.0° |
| C6 | C5 | H5 | 119.3° | 120.0° |
| C5 | C6 | O8 | 120.8° | 119.9° |
| C6 | O8 | H8 | 119.1° | 106.8° |
| O9 | C15 | H151 | 113.9° | 109.5° |
| O9 | C15 | H152 | 110.6° | 109.4° |
| O9 | C15 | H153 | 110.6° | 109.5° |
| C11 | C10 | H10 | 112.4° | 120.0° |
| C10 | C11 | C12 | 118.7° | 120.1° |
| C10 | C11 | H11 | 115.8° | 120.0° |
| C12 | C11 | H11 | 125.5° | 120.0° |
| C11 | C12 | O13 | 107.6° | 109.5° |
| C11 | C12 | O14 | 116.1° | 109.5° |
| C11 | C12 | H12 | 103.8° | 109.4° |
| O13 | C12 | O14 | 99.4° | 109.5° |
| O13 | C12 | H12 | 119.3° | 109.4° |
| C12 | O13 | H13 | 107.6° | 106.9° |
| O14 | C12 | H12 | 111.3° | 109.5° |
| C12 | O14 | H14 | 116.1° | 106.8° |
| H151 | C15 | H152 | 110.6° | 109.4° |
| H151 | C15 | H153 | 110.6° | 109.5° |
| H152 | C15 | H153 | 99.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O7 | 179.9° | 179.5° |
| C1 | C2 | C3 | O9 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 0.2° | 0.3° |
| C1 | C2 | C3 | H3 | 179.8° | 179.8° |
| C2 | C1 | C6 | C5 | 0.4° | 0.5° |
| C2 | C1 | C6 | O8 | 179.7° | 179.7° |
| C2 | C1 | O7 | H7 | 180.0° | 90.5° |
| C1 | C2 | O9 | C15 | 87.4° | 179.8° |
| C6 | C1 | C2 | C3 | 0.3° | 0.5° |
| C6 | C1 | C2 | O9 | 179.6° | 179.7° |
| C1 | C6 | C5 | C4 | 0.0° | 0.2° |
| C1 | C6 | C5 | O8 | 180.0° | 179.8° |
| C1 | C6 | C5 | H5 | 180.0° | 179.8° |
| C6 | C1 | O7 | H7 | 0.1° | 90.0° |
| C1 | C6 | O8 | H8 | 180.0° | 89.7° |
| O7 | C1 | C2 | C3 | 179.6° | 180.0° |
| O7 | C1 | C2 | O9 | 0.4° | 0.2° |
| O7 | C1 | C6 | C5 | 179.6° | 180.0° |
| O7 | C1 | C6 | O8 | 0.4° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | C10 | 179.1° | 180.0° |
| C3 | C2 | O9 | C15 | 92.7° | 0.0° |
| O9 | C2 | C3 | C4 | 179.9° | 180.0° |
| O9 | C2 | C3 | H3 | 0.1° | 0.1° |
| C2 | O9 | C15 | H151 | 180.0° | 179.9° |
| C2 | O9 | C15 | H152 | 54.7° | 60.0° |
| C2 | O9 | C15 | H153 | 54.7° | 60.0° |
| C3 | C4 | C5 | C10 | 179.7° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C3 | C4 | C10 | C11 | 179.4° | 180.0° |
| C3 | C4 | C10 | H10 | 0.6° | 0.0° |
| H3 | C3 | C4 | C5 | 179.4° | 179.9° |
| H3 | C3 | C4 | C10 | 0.9° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O8 | 179.9° | 180.0° |
| C5 | C4 | C10 | C11 | 0.3° | 0.1° |
| C5 | C4 | C10 | H10 | 179.7° | 180.0° |
| C10 | C4 | C5 | C6 | 179.2° | 180.0° |
| C10 | C4 | C5 | H5 | 0.8° | 0.0° |
| C4 | C10 | C11 | H10 | 180.0° | 180.0° |
| C4 | C10 | C11 | C12 | 179.4° | 180.0° |
| C4 | C10 | C11 | H11 | 0.6° | 0.0° |
| C5 | C6 | O8 | H8 | 0.0° | 90.1° |
| H5 | C5 | C6 | O8 | 0.1° | 0.1° |
| O9 | C15 | H151 | H152 | 125.3° | 119.9° |
| O9 | C15 | H151 | H153 | 125.2° | 120.1° |
| O9 | C15 | H152 | H153 | 116.4° | 120.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | O13 | 25.0° | 120.0° |
| C10 | C11 | C12 | O14 | 85.2° | 120.0° |
| C10 | C11 | C12 | H12 | 152.4° | 0.0° |
| H10 | C10 | C11 | C12 | 0.6° | 0.0° |
| H10 | C10 | C11 | H11 | 179.4° | NaN° |
| C11 | C12 | O13 | O14 | 121.3° | 120.1° |
| C11 | C12 | O13 | H12 | 117.6° | 119.9° |
| C11 | C12 | O14 | H12 | 118.4° | 120.0° |
| C11 | C12 | O13 | H13 | 180.0° | 180.0° |
| C11 | C12 | O14 | H14 | 180.0° | 60.0° |
| H11 | C11 | C12 | O13 | 155.0° | 60.0° |
| H11 | C11 | C12 | O14 | 94.8° | 60.0° |
| H11 | C11 | C12 | H12 | 27.6° | 180.0° |
| O13 | C12 | O14 | H12 | 126.7° | 120.0° |
| O13 | C12 | O14 | H14 | 65.1° | 60.1° |
| O14 | C12 | O13 | H13 | 58.7° | 59.9° |
| H12 | C12 | O13 | H13 | 62.3° | 60.1° |
| H12 | C12 | O14 | H14 | 61.6° | 180.0° |
| H151 | C15 | H152 | H153 | 116.4° | 120.0° |
