7LF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C20 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C | sing | 1.47Å | 1.49Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C14 | N | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.39Å | Aromatic |
| N | C2 | doub | 1.32Å | 1.47Å | Aromatic |
| C13 | N1 | sing | 1.38Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.48Å | 1.49Å | |
| C2 | C9 | sing | 1.46Å | 1.48Å | Aromatic |
| C8 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C9 | sing | 1.38Å | 1.34Å | Aromatic |
| N1 | C12 | sing | 1.36Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | F | sing | 1.35Å | 1.35Å | |
| C10 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C20 | 118.8° | 119.8° |
| C19 | C18 | C17 | 121.2° | 119.8° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C18 | C19 | H15 | 109.4° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| C18 | C20 | C21 | 120.2° | 120.1° |
| C20 | C18 | C17 | 120.0° | 120.4° |
| C18 | C20 | H13 | 119.9° | 119.9° |
| C20 | C21 | C15 | 120.3° | 119.8° |
| C20 | C21 | H12 | 119.9° | 120.1° |
| C21 | C20 | H13 | 119.9° | 119.9° |
| C18 | C17 | C16 | 119.9° | 120.1° |
| C18 | C17 | H17 | 120.0° | 119.9° |
| C21 | C15 | C16 | 119.6° | 119.7° |
| C21 | C15 | C | 118.7° | 120.1° |
| C15 | C21 | H12 | 119.8° | 120.1° |
| C17 | C16 | C15 | 120.0° | 119.8° |
| C16 | C17 | H17 | 120.1° | 120.0° |
| C17 | C16 | H18 | 120.0° | 120.1° |
| C16 | C15 | C | 121.7° | 120.2° |
| C15 | C16 | H18 | 120.0° | 120.1° |
| C15 | C | O | 122.2° | 120.0° |
| C15 | C | C1 | 118.0° | 120.0° |
| O | C | C1 | 119.8° | 120.1° |
| C | C1 | N | 115.0° | 109.4° |
| C | C1 | H10 | 108.1° | 109.5° |
| C | C1 | H11 | 108.1° | 109.5° |
| C1 | N | C14 | 116.8° | 119.4° |
| C1 | N | C2 | 122.4° | 119.4° |
| N | C1 | H10 | 108.1° | 109.5° |
| N | C1 | H11 | 108.1° | 109.4° |
| N | C14 | C13 | 123.1° | 122.3° |
| C14 | N | C2 | 120.7° | 121.2° |
| N | C14 | H9 | 118.4° | 118.9° |
| C14 | C13 | N1 | 120.0° | 120.6° |
| C14 | C13 | H8 | 120.0° | 119.7° |
| C13 | C14 | H9 | 118.5° | 118.8° |
| N | C2 | C3 | 115.0° | 120.6° |
| N | C2 | C9 | 110.7° | 118.8° |
| C13 | N1 | C9 | 119.6° | 118.6° |
| C13 | N1 | C12 | 132.3° | 133.1° |
| N1 | C13 | H8 | 120.0° | 119.7° |
| C3 | C2 | C9 | 117.8° | 120.6° |
| C2 | C3 | C8 | 117.2° | 120.1° |
| C2 | C3 | C4 | 123.0° | 120.1° |
| C2 | C9 | N1 | 125.2° | 118.5° |
| C2 | C9 | C10 | 127.2° | 133.8° |
| C3 | C8 | C7 | 120.2° | 119.9° |
| C8 | C3 | C4 | 119.8° | 119.8° |
| C3 | C8 | H4 | 119.9° | 120.1° |
| C8 | C7 | C6 | 120.1° | 120.1° |
| C8 | C7 | H3 | 120.0° | 120.0° |
| C7 | C8 | H4 | 119.9° | 120.1° |
| C9 | N1 | C12 | 108.0° | 108.4° |
| N1 | C9 | C10 | 107.0° | 107.7° |
| N1 | C12 | C11 | 112.2° | 108.9° |
| N1 | C12 | H5 | 123.9° | 125.6° |
| C3 | C4 | C5 | 119.9° | 119.9° |
| C3 | C4 | H2 | 120.0° | 120.0° |
| C7 | C6 | C5 | 119.6° | 120.2° |
| C7 | C6 | F | 120.0° | 119.9° |
| C6 | C7 | H3 | 120.0° | 119.9° |
| C9 | C10 | C11 | 108.3° | 107.0° |
| C9 | C10 | H7 | 125.8° | 126.5° |
| C12 | C11 | C10 | 104.4° | 108.0° |
| C11 | C12 | H5 | 123.9° | 125.5° |
| C12 | C11 | H6 | 127.8° | 126.0° |
| C4 | C5 | C6 | 120.4° | 120.1° |
| C4 | C5 | H1 | 119.8° | 119.9° |
| C5 | C4 | H2 | 120.1° | 120.1° |
| C5 | C6 | F | 120.4° | 119.9° |
| C6 | C5 | H1 | 119.8° | 119.9° |
| C10 | C11 | H6 | 127.8° | 126.0° |
| C11 | C10 | H7 | 125.8° | 126.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H16 | 109.5° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C20 | C17 | 180.0° | 180.0° |
| C19 | C18 | C20 | C21 | 179.8° | 180.0° |
| C19 | C18 | C17 | C16 | 180.0° | 180.0° |
| C19 | C18 | C20 | H13 | 0.2° | 0.0° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H16 | 120.0° | 120.0° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C19 | C18 | C17 | H17 | 0.0° | 0.0° |
| C18 | C20 | C21 | H13 | 180.0° | 179.9° |
| C18 | C20 | C21 | C15 | 0.2° | 0.0° |
| C20 | C18 | C17 | C16 | 0.0° | 0.0° |
| C18 | C20 | C21 | H12 | 179.8° | 180.0° |
| C20 | C18 | C19 | H14 | 90.0° | 90.0° |
| C20 | C18 | C19 | H15 | 150.0° | 150.0° |
| C20 | C18 | C19 | H16 | 30.0° | 29.9° |
| C20 | C18 | C17 | H17 | 180.0° | 180.0° |
| C21 | C20 | C18 | C17 | 0.2° | 0.0° |
| C20 | C21 | C15 | H12 | 180.0° | 180.0° |
| C20 | C21 | C15 | C16 | 0.0° | 0.0° |
| C20 | C21 | C15 | C | 179.8° | 179.7° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C17 | C18 | C20 | H13 | 179.8° | 180.0° |
| C17 | C18 | C19 | H14 | 90.0° | 90.0° |
| C17 | C18 | C19 | H15 | 30.0° | 30.0° |
| C17 | C18 | C19 | H16 | 150.0° | 150.0° |
| C18 | C17 | C16 | H18 | 179.9° | 179.7° |
| C21 | C15 | C16 | C17 | 0.2° | 0.0° |
| C21 | C15 | C16 | C | 179.8° | 179.8° |
| C21 | C15 | C | O | 1.1° | 179.7° |
| C21 | C15 | C | C1 | 178.8° | 0.2° |
| C15 | C21 | C20 | H13 | 179.8° | 180.0° |
| C21 | C15 | C16 | H18 | 179.9° | 179.7° |
| C17 | C16 | C15 | H18 | 180.0° | 179.8° |
| C17 | C16 | C15 | C | 179.7° | 179.8° |
| C16 | C15 | C | O | 179.1° | 0.1° |
| C16 | C15 | C | C1 | 1.1° | 180.0° |
| C16 | C15 | C21 | H12 | 180.0° | 180.0° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C15 | C | O | C1 | 179.8° | 179.9° |
| C15 | C | C1 | N | 175.8° | 179.9° |
| C15 | C | C1 | H10 | 63.4° | 60.0° |
| C15 | C | C1 | H11 | 55.0° | 60.0° |
| C | C15 | C21 | H12 | 0.2° | 0.3° |
| C | C15 | C16 | H18 | 0.3° | 0.0° |
| O | C | C1 | N | 4.1° | 0.0° |
| O | C | C1 | H10 | 116.8° | 120.0° |
| O | C | C1 | H11 | 124.9° | 119.9° |
| C | C1 | N | H10 | 120.8° | 120.0° |
| C | C1 | N | H11 | 120.8° | 120.0° |
| C | C1 | N | C14 | 97.9° | 66.2° |
| C | C1 | N | C2 | 78.2° | 114.1° |
| C | C1 | H10 | H11 | 117.5° | 120.0° |
| C1 | N | C14 | C2 | 176.2° | 179.7° |
| C1 | N | C14 | C13 | 178.9° | 179.7° |
| C1 | N | C2 | C3 | 39.2° | 0.3° |
| C1 | N | C2 | C9 | 175.7° | 179.7° |
| C1 | N | C14 | H9 | 1.1° | 0.3° |
| N | C1 | H10 | H11 | 117.5° | 120.0° |
| N | C14 | C13 | H9 | 180.0° | 179.9° |
| N | C14 | C13 | N1 | 1.3° | 0.1° |
| C14 | N | C2 | C3 | 144.9° | 180.0° |
| C14 | N | C2 | C9 | 8.3° | 0.1° |
| N | C14 | C13 | H8 | 178.7° | 180.0° |
| C14 | N | C1 | H10 | 141.3° | 53.8° |
| C14 | N | C1 | H11 | 22.9° | 173.8° |
| C13 | C14 | N | C2 | 5.0° | 0.1° |
| C14 | C13 | N1 | H8 | 180.0° | 179.9° |
| C14 | C13 | N1 | C9 | 2.2° | 0.1° |
| C14 | C13 | N1 | C12 | 180.0° | 180.0° |
| N | C2 | C3 | C9 | 133.3° | 180.0° |
| N | C2 | C3 | C8 | 94.0° | 128.0° |
| N | C2 | C9 | N1 | 9.7° | 0.1° |
| N | C2 | C3 | C4 | 86.8° | 52.8° |
| N | C2 | C9 | C10 | 179.8° | 179.9° |
| C2 | N | C14 | H9 | 175.1° | 180.0° |
| C2 | N | C1 | H10 | 42.6° | 125.9° |
| C2 | N | C1 | H11 | 161.0° | 5.9° |
| C13 | N1 | C9 | C2 | 7.0° | 0.1° |
| C13 | N1 | C9 | C12 | 178.3° | 179.9° |
| C13 | N1 | C9 | C10 | 179.1° | 180.0° |
| C13 | N1 | C12 | C11 | 179.7° | 180.0° |
| C13 | N1 | C12 | H5 | 0.2° | 0.1° |
| N1 | C13 | C14 | H9 | 178.7° | 180.0° |
| C2 | C3 | C8 | C4 | 179.2° | 179.2° |
| C2 | C3 | C8 | C7 | 179.7° | 180.0° |
| C3 | C2 | C9 | N1 | 144.9° | 179.9° |
| C3 | C2 | C9 | C10 | 44.6° | 0.1° |
| C2 | C3 | C4 | C5 | 179.5° | 179.7° |
| C2 | C3 | C4 | H2 | 0.5° | 0.3° |
| C2 | C3 | C8 | H4 | 0.3° | 0.8° |
| C9 | C2 | C3 | C8 | 132.7° | 52.0° |
| C2 | C9 | N1 | C10 | 172.1° | 179.9° |
| C2 | C9 | N1 | C12 | 174.7° | 180.0° |
| C9 | C2 | C3 | C4 | 46.5° | 127.2° |
| C2 | C9 | C10 | C11 | 174.5° | 179.9° |
| C2 | C9 | C10 | H7 | 5.5° | 0.1° |
| C3 | C8 | C7 | H4 | 180.0° | 179.2° |
| C3 | C8 | C7 | C6 | 0.4° | 0.5° |
| C8 | C3 | C4 | C5 | 0.4° | 0.5° |
| C8 | C3 | C4 | H2 | 179.6° | 179.5° |
| C3 | C8 | C7 | H3 | 179.6° | 179.4° |
| C7 | C8 | C3 | C4 | 0.5° | 0.8° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.3° | 0.1° |
| C8 | C7 | C6 | F | 179.9° | 179.8° |
| C9 | N1 | C12 | C11 | 1.7° | 0.1° |
| N1 | C9 | C10 | C11 | 2.6° | 0.1° |
| C9 | N1 | C12 | H5 | 178.2° | 180.0° |
| N1 | C9 | C10 | H7 | 177.4° | 180.0° |
| C9 | N1 | C13 | H8 | 177.8° | 180.0° |
| C12 | N1 | C9 | C10 | 2.6° | 0.1° |
| N1 | C12 | C11 | H5 | 180.0° | 179.9° |
| N1 | C12 | C11 | C10 | 0.1° | 0.0° |
| N1 | C12 | C11 | H6 | 179.9° | 180.0° |
| C12 | N1 | C13 | H8 | 0.0° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H1 | 179.8° | 180.0° |
| C4 | C3 | C8 | H4 | 179.5° | 180.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.4° |
| C7 | C6 | C5 | F | 179.6° | 179.7° |
| C7 | C6 | C5 | H1 | 179.9° | 179.7° |
| C6 | C7 | C8 | H4 | 179.6° | 179.7° |
| C9 | C10 | C11 | C12 | 1.5° | 0.0° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | H6 | 178.5° | 180.0° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | H7 | 178.5° | 180.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | F | 179.8° | 179.9° |
| C6 | C5 | C4 | H2 | 179.8° | 179.9° |
| C5 | C6 | C7 | H3 | 179.7° | 180.0° |
| F | C6 | C5 | H1 | 0.3° | 0.0° |
| F | C6 | C7 | H3 | 0.2° | 0.3° |
| C10 | C11 | C12 | H5 | 179.9° | 180.0° |
| H1 | C5 | C4 | H2 | 0.2° | 0.0° |
| H3 | C7 | C8 | H4 | 0.4° | 0.2° |
| H5 | C12 | C11 | H6 | 0.1° | 0.1° |
| H6 | C11 | C10 | H7 | 1.5° | 0.0° |
| H8 | C13 | C14 | H9 | 1.3° | 0.0° |
| H12 | C21 | C20 | H13 | 0.2° | 0.0° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
| H17 | C17 | C16 | H18 | 0.2° | 0.3° |
