QFL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | N1 | sing | 1.31Å | 1.33Å | Aromatic |
| C9 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| N1 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N | sing | 1.40Å | 1.40Å | |
| N | C5 | sing | 1.35Å | 1.35Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | O | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C | sing | 1.38Å | 1.37Å | Aromatic |
| C | F | sing | 1.35Å | 1.36Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.6° | 119.5° |
| C10 | C11 | C12 | 120.6° | 121.1° |
| C11 | C10 | H5 | 119.7° | 120.2° |
| C10 | C11 | H13 | 119.7° | 119.5° |
| C10 | C9 | C8 | 123.3° | 122.0° |
| C10 | C9 | C14 | 119.1° | 119.3° |
| C9 | C10 | H5 | 119.7° | 120.3° |
| C11 | C12 | C13 | 120.6° | 121.0° |
| C11 | C12 | H12 | 119.7° | 119.5° |
| C12 | C11 | H13 | 119.7° | 119.5° |
| C9 | C8 | N1 | 124.3° | 120.2° |
| C8 | C9 | C14 | 117.7° | 118.7° |
| C9 | C8 | H4 | 117.8° | 119.9° |
| C8 | N1 | C7 | 117.5° | 122.8° |
| N1 | C8 | H4 | 117.9° | 119.9° |
| C9 | C14 | C13 | 118.2° | 119.6° |
| C9 | C14 | C6 | 118.0° | 118.2° |
| C12 | C13 | C14 | 120.9° | 119.5° |
| C12 | C13 | H6 | 119.5° | 120.3° |
| C13 | C12 | H12 | 119.7° | 119.5° |
| N1 | C7 | C6 | 124.8° | 121.6° |
| N1 | C7 | H3 | 117.6° | 119.2° |
| C13 | C14 | C6 | 123.8° | 122.2° |
| C14 | C13 | H6 | 119.5° | 120.2° |
| C14 | C6 | C7 | 117.7° | 118.4° |
| C14 | C6 | N | 118.5° | 120.8° |
| C7 | C6 | N | 123.5° | 120.7° |
| C6 | C7 | H3 | 117.6° | 119.2° |
| C6 | N | C5 | 127.2° | 120.1° |
| C6 | N | H11 | 116.4° | 119.9° |
| N | C5 | C4 | 114.2° | 120.0° |
| N | C5 | O | 123.6° | 120.0° |
| C5 | N | H11 | 116.4° | 120.0° |
| C4 | C5 | O | 122.2° | 120.0° |
| C5 | C4 | C3 | 112.7° | 109.5° |
| C5 | C4 | H1 | 108.7° | 109.5° |
| C5 | C4 | H2 | 108.6° | 109.5° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C4 | C3 | C15 | 120.8° | 120.0° |
| C3 | C4 | H1 | 108.7° | 109.5° |
| C3 | C4 | H2 | 108.7° | 109.5° |
| C2 | C3 | C15 | 118.5° | 120.0° |
| C3 | C2 | C1 | 121.2° | 120.0° |
| C3 | C2 | H8 | 119.4° | 120.0° |
| C3 | C15 | C16 | 121.1° | 120.1° |
| C3 | C15 | H7 | 119.5° | 119.9° |
| C2 | C1 | C | 118.2° | 120.0° |
| C1 | C2 | H8 | 119.4° | 120.0° |
| C2 | C1 | H9 | 120.9° | 120.0° |
| C15 | C16 | C | 118.1° | 120.0° |
| C16 | C15 | H7 | 119.4° | 120.0° |
| C15 | C16 | H10 | 120.9° | 120.0° |
| C1 | C | C16 | 122.9° | 120.0° |
| C1 | C | F | 118.5° | 120.0° |
| C | C1 | H9 | 120.9° | 120.1° |
| C16 | C | F | 118.5° | 120.0° |
| C | C16 | H10 | 121.0° | 120.0° |
| H1 | C4 | H2 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 179.7° | 180.0° |
| C11 | C10 | C9 | C14 | 0.1° | 0.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C10 | C11 | C12 | H12 | 179.6° | 179.9° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C10 | C9 | C8 | C14 | 179.6° | 179.9° |
| C10 | C9 | C8 | N1 | 179.6° | 180.0° |
| C10 | C9 | C14 | C13 | 0.6° | 0.1° |
| C10 | C9 | C14 | C6 | 179.1° | 180.0° |
| C10 | C9 | C8 | H4 | 0.5° | 0.0° |
| C9 | C10 | C11 | H13 | 179.6° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C10 | H5 | 179.6° | 180.0° |
| C11 | C12 | C13 | H6 | 179.8° | 180.0° |
| C9 | C8 | N1 | H4 | 180.0° | 180.0° |
| C9 | C8 | N1 | C7 | 0.0° | 0.0° |
| C8 | C9 | C14 | C13 | 179.8° | 180.0° |
| C8 | C9 | C14 | C6 | 0.5° | 0.1° |
| C8 | C9 | C10 | H5 | 0.3° | 0.0° |
| N1 | C8 | C9 | C14 | 0.0° | 0.1° |
| C8 | N1 | C7 | C6 | 0.4° | 0.0° |
| C8 | N1 | C7 | H3 | 179.5° | 180.0° |
| C9 | C14 | C13 | C12 | 0.7° | 0.1° |
| C9 | C14 | C13 | C6 | 179.7° | 179.9° |
| C9 | C14 | C6 | C7 | 0.9° | 0.0° |
| C9 | C14 | C6 | N | 173.3° | 179.9° |
| C14 | C9 | C8 | H4 | 180.0° | 179.9° |
| C14 | C9 | C10 | H5 | 179.9° | 179.9° |
| C9 | C14 | C13 | H6 | 179.3° | 180.0° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C12 | C13 | C14 | C6 | 179.0° | 180.0° |
| C13 | C12 | C11 | H13 | 179.6° | 180.0° |
| N1 | C7 | C6 | C14 | 0.9° | 0.0° |
| N1 | C7 | C6 | H3 | 180.0° | 180.0° |
| N1 | C7 | C6 | N | 173.0° | 180.0° |
| C7 | N1 | C8 | H4 | 180.0° | 180.0° |
| C13 | C14 | C6 | C7 | 179.4° | 180.0° |
| C13 | C14 | C6 | N | 6.3° | 0.0° |
| C14 | C13 | C12 | H12 | 179.8° | 180.0° |
| C14 | C6 | C7 | N | 174.0° | 180.0° |
| C14 | C6 | N | C5 | 98.0° | 145.4° |
| C14 | C6 | C7 | H3 | 179.1° | 180.0° |
| C6 | C14 | C13 | H6 | 1.0° | 0.0° |
| C14 | C6 | N | H11 | 82.1° | 34.6° |
| C7 | C6 | N | C5 | 75.9° | 34.6° |
| C7 | C6 | N | H11 | 104.0° | 145.4° |
| C6 | N | C5 | H11 | 180.0° | 180.0° |
| C6 | N | C5 | C4 | 176.6° | 175.5° |
| C6 | N | C5 | O | 3.4° | 4.4° |
| N | C6 | C7 | H3 | 7.0° | 0.0° |
| N | C5 | C4 | O | 180.0° | 180.0° |
| N | C5 | C4 | C3 | 163.9° | 180.0° |
| N | C5 | C4 | H1 | 75.6° | 60.0° |
| N | C5 | C4 | H2 | 43.4° | 60.0° |
| C5 | C4 | C3 | H1 | 120.5° | 120.0° |
| C5 | C4 | C3 | H2 | 120.5° | 120.0° |
| C5 | C4 | C3 | C2 | 91.2° | 90.0° |
| C5 | C4 | C3 | C15 | 88.5° | 89.9° |
| C5 | C4 | H1 | H2 | 118.5° | 120.0° |
| C4 | C5 | N | H11 | 3.4° | 4.5° |
| O | C5 | C4 | C3 | 16.1° | 0.0° |
| O | C5 | C4 | H1 | 104.4° | 120.0° |
| O | C5 | C4 | H2 | 136.6° | 120.0° |
| O | C5 | N | H11 | 176.6° | 175.5° |
| C4 | C3 | C2 | C15 | 179.7° | 179.9° |
| C4 | C3 | C2 | C1 | 179.4° | 180.0° |
| C4 | C3 | C15 | C16 | 179.6° | 180.0° |
| C3 | C4 | H1 | H2 | 118.5° | 120.0° |
| C4 | C3 | C15 | H7 | 0.4° | 0.4° |
| C4 | C3 | C2 | H8 | 0.6° | 0.0° |
| C3 | C2 | C1 | H8 | 180.0° | 180.0° |
| C2 | C3 | C15 | C16 | 0.1° | 0.1° |
| C3 | C2 | C1 | C | 0.5° | 0.0° |
| C2 | C3 | C4 | H1 | 148.3° | 30.1° |
| C2 | C3 | C4 | H2 | 29.3° | 150.0° |
| C2 | C3 | C15 | H7 | 179.9° | 179.7° |
| C3 | C2 | C1 | H9 | 179.5° | 180.0° |
| C15 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | C15 | C16 | H7 | 180.0° | 179.6° |
| C3 | C15 | C16 | C | 0.2° | 0.1° |
| C15 | C3 | C4 | H1 | 32.0° | 150.0° |
| C15 | C3 | C4 | H2 | 151.0° | 30.1° |
| C15 | C3 | C2 | H8 | 179.7° | 180.0° |
| C3 | C15 | C16 | H10 | 179.8° | 179.8° |
| C2 | C1 | C | H9 | 180.0° | 180.0° |
| C2 | C1 | C | C16 | 0.6° | 0.0° |
| C2 | C1 | C | F | 176.1° | 179.9° |
| C15 | C16 | C | C1 | 0.5° | 0.0° |
| C15 | C16 | C | H10 | 180.0° | 179.8° |
| C15 | C16 | C | F | 176.3° | 179.9° |
| C1 | C | C16 | F | 176.8° | 179.9° |
| C | C1 | C2 | H8 | 179.5° | 180.0° |
| C1 | C | C16 | H10 | 179.6° | 179.8° |
| C | C16 | C15 | H7 | 179.8° | 179.7° |
| C16 | C | C1 | H9 | 179.4° | 180.0° |
| F | C | C1 | H9 | 3.9° | 0.0° |
| F | C | C16 | H10 | 3.7° | 0.3° |
| H5 | C10 | C11 | H13 | 0.4° | 0.0° |
| H6 | C13 | C12 | H12 | 0.2° | 0.1° |
| H7 | C15 | C16 | H10 | 0.2° | 0.1° |
| H8 | C2 | C1 | H9 | 0.5° | 0.0° |
| H12 | C12 | C11 | H13 | 0.4° | 0.1° |
