L1F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | N1 | sing | 1.34Å | 1.37Å | |
| C13 | C12 | sing | 1.46Å | 1.42Å | |
| N1 | C14 | sing | 1.38Å | 1.39Å | |
| C12 | C11 | doub | 1.37Å | 1.36Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C19 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.48Å | 1.49Å | |
| O2 | C10 | doub | 1.22Å | 1.22Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | N | sing | 1.35Å | 1.39Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | O1 | sing | 1.43Å | 1.43Å | |
| N | C8 | sing | 1.46Å | 1.46Å | |
| N | C9 | sing | 1.47Å | 1.46Å | |
| C18 | C17 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| C6 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C13 | N1 | 120.1° | 119.5° |
| O3 | C13 | C12 | 123.8° | 119.5° |
| N1 | C13 | C12 | 115.9° | 120.9° |
| C13 | N1 | C14 | 124.5° | 121.3° |
| C13 | N1 | H1 | 117.8° | 119.3° |
| C13 | C12 | C11 | 122.7° | 119.5° |
| C13 | C12 | H10 | 118.6° | 120.2° |
| N1 | C14 | C15 | 120.7° | 120.4° |
| N1 | C14 | C19 | 119.4° | 120.2° |
| C14 | N1 | H1 | 117.7° | 119.3° |
| C12 | C11 | C19 | 119.9° | 118.5° |
| C12 | C11 | C10 | 119.3° | 120.8° |
| C11 | C12 | H10 | 118.7° | 120.3° |
| C15 | C14 | C19 | 119.9° | 119.4° |
| C14 | C15 | C16 | 119.7° | 119.8° |
| C14 | C15 | H8 | 120.2° | 120.1° |
| C14 | C19 | C11 | 117.5° | 119.5° |
| C14 | C19 | C18 | 119.2° | 119.9° |
| C19 | C11 | C10 | 120.5° | 120.7° |
| C11 | C19 | C18 | 123.3° | 120.7° |
| C11 | C10 | O2 | 119.9° | 120.0° |
| C11 | C10 | N | 119.5° | 120.1° |
| O2 | C10 | N | 120.6° | 120.0° |
| C15 | C16 | C17 | 120.6° | 120.6° |
| C16 | C15 | H8 | 120.1° | 120.1° |
| C15 | C16 | H12 | 119.7° | 119.7° |
| C19 | C18 | C17 | 120.2° | 119.8° |
| C19 | C18 | H11 | 119.9° | 120.1° |
| C10 | N | C8 | 122.0° | 120.0° |
| C10 | N | C9 | 121.5° | 120.0° |
| C16 | C17 | C18 | 120.3° | 120.5° |
| C16 | C17 | H9 | 119.8° | 119.8° |
| C17 | C16 | H12 | 119.7° | 119.7° |
| C8 | C7 | O1 | 105.7° | 109.5° |
| C7 | C8 | N | 111.1° | 109.5° |
| C8 | C7 | H4 | 110.4° | 109.5° |
| C8 | C7 | H5 | 110.4° | 109.4° |
| C7 | C8 | H6 | 109.1° | 109.5° |
| C7 | C8 | H7 | 109.1° | 109.4° |
| C7 | O1 | C6 | 117.2° | 117.0° |
| O1 | C7 | H4 | 110.4° | 109.5° |
| O1 | C7 | H5 | 110.4° | 109.5° |
| C8 | N | C9 | 116.4° | 120.0° |
| N | C8 | H6 | 109.1° | 109.5° |
| N | C8 | H7 | 109.1° | 109.5° |
| N | C9 | H13 | 109.5° | 109.5° |
| N | C9 | H14 | 109.5° | 109.5° |
| N | C9 | H15 | 109.5° | 109.5° |
| C18 | C17 | H9 | 119.8° | 119.7° |
| C17 | C18 | H11 | 119.9° | 120.0° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C5 | C4 | H2 | 119.7° | 119.9° |
| C4 | C5 | H3 | 120.3° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.1° |
| C3 | C4 | H2 | 119.7° | 119.9° |
| C4 | C3 | H19 | 119.7° | 119.9° |
| C5 | C6 | O1 | 123.8° | 120.1° |
| C5 | C6 | C1 | 120.1° | 119.9° |
| C6 | C5 | H3 | 120.3° | 120.0° |
| C3 | C2 | C1 | 119.4° | 120.0° |
| C2 | C3 | H19 | 119.6° | 120.0° |
| C3 | C2 | H20 | 120.3° | 120.0° |
| O1 | C6 | C1 | 116.1° | 120.1° |
| C6 | C1 | C2 | 119.7° | 119.9° |
| C6 | C1 | O | 115.2° | 120.1° |
| C2 | C1 | O | 125.0° | 120.1° |
| C1 | C2 | H20 | 120.3° | 120.0° |
| C1 | O | C | 118.2° | 117.0° |
| O | C | H16 | 109.5° | 109.5° |
| O | C | H17 | 109.5° | 109.5° |
| O | C | H18 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.4° | 109.5° |
| H6 | C8 | H7 | 109.4° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H13 | C9 | H15 | 109.4° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.4° |
| H16 | C | H17 | 109.5° | 109.4° |
| H16 | C | H18 | 109.4° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C13 | N1 | C12 | 175.6° | 180.0° |
| O3 | C13 | N1 | C14 | 172.5° | 180.0° |
| O3 | C13 | C12 | C11 | 172.6° | 180.0° |
| O3 | C13 | N1 | H1 | 7.4° | 0.3° |
| O3 | C13 | C12 | H10 | 7.4° | 0.0° |
| C13 | N1 | C14 | H1 | 180.0° | 179.7° |
| N1 | C13 | C12 | C11 | 2.8° | 0.0° |
| C13 | N1 | C14 | C15 | 178.9° | 179.7° |
| C13 | N1 | C14 | C19 | 0.0° | 0.3° |
| N1 | C13 | C12 | H10 | 177.2° | 180.0° |
| C12 | C13 | N1 | C14 | 3.0° | 0.0° |
| C13 | C12 | C11 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | C19 | 0.3° | 0.3° |
| C13 | C12 | C11 | C10 | 173.1° | 180.0° |
| C12 | C13 | N1 | H1 | 177.0° | 179.7° |
| N1 | C14 | C15 | C19 | 178.8° | 180.0° |
| N1 | C14 | C19 | C11 | 3.1° | 0.5° |
| N1 | C14 | C15 | C16 | 179.8° | 180.0° |
| N1 | C14 | C19 | C18 | 178.3° | 179.9° |
| N1 | C14 | C15 | H8 | 0.2° | 0.0° |
| C12 | C11 | C19 | C14 | 3.3° | 0.5° |
| C12 | C11 | C19 | C10 | 173.2° | 179.7° |
| C12 | C11 | C10 | O2 | 76.7° | 102.1° |
| C12 | C11 | C19 | C18 | 178.2° | 179.9° |
| C12 | C11 | C10 | N | 102.8° | 77.9° |
| C15 | C14 | C19 | C11 | 175.7° | 179.5° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C15 | C14 | C19 | C18 | 2.9° | 0.1° |
| C14 | C15 | C16 | C17 | 1.2° | 0.0° |
| C15 | C14 | N1 | H1 | 1.1° | 0.0° |
| C14 | C15 | C16 | H12 | 178.8° | 180.0° |
| C14 | C19 | C11 | C18 | 178.5° | 179.5° |
| C14 | C19 | C11 | C10 | 170.0° | 179.8° |
| C19 | C14 | C15 | C16 | 0.9° | 0.0° |
| C14 | C19 | C18 | C17 | 2.7° | 0.0° |
| C19 | C14 | N1 | H1 | 180.0° | 180.0° |
| C19 | C14 | C15 | H8 | 179.1° | 180.0° |
| C14 | C19 | C18 | H11 | 177.3° | 179.9° |
| C19 | C11 | C10 | O2 | 96.6° | 78.2° |
| C19 | C11 | C10 | N | 84.0° | 101.8° |
| C11 | C19 | C18 | C17 | 175.8° | 179.5° |
| C19 | C11 | C12 | H10 | 179.7° | 179.8° |
| C11 | C19 | C18 | H11 | 4.2° | 0.4° |
| C11 | C10 | O2 | N | 179.5° | 180.0° |
| C10 | C11 | C19 | C18 | 8.6° | 0.3° |
| C11 | C10 | N | C8 | 6.7° | 175.2° |
| C11 | C10 | N | C9 | 177.5° | 4.8° |
| C10 | C11 | C12 | H10 | 6.9° | 0.1° |
| O2 | C10 | N | C8 | 172.8° | 4.8° |
| O2 | C10 | N | C9 | 3.0° | 175.2° |
| C15 | C16 | C17 | H12 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.4° | 0.1° |
| C15 | C16 | C17 | H9 | 178.6° | 180.0° |
| C19 | C18 | C17 | C16 | 0.6° | 0.1° |
| C19 | C18 | C17 | H11 | 180.0° | 179.9° |
| C19 | C18 | C17 | H9 | 179.4° | 180.0° |
| C10 | N | C8 | C7 | 103.7° | 90.0° |
| C10 | N | C8 | C9 | 176.0° | 180.0° |
| C10 | N | C8 | H6 | 136.0° | 30.0° |
| C10 | N | C8 | H7 | 16.6° | 150.0° |
| C10 | N | C9 | H13 | 180.0° | 84.8° |
| C10 | N | C9 | H14 | 60.0° | 155.2° |
| C10 | N | C9 | H15 | 60.0° | 35.2° |
| C16 | C17 | C18 | H9 | 180.0° | 179.9° |
| C17 | C16 | C15 | H8 | 178.8° | 180.0° |
| C16 | C17 | C18 | H11 | 179.4° | 179.9° |
| C8 | C7 | O1 | H4 | 119.4° | 120.0° |
| C8 | C7 | O1 | H5 | 119.4° | 119.9° |
| C7 | C8 | N | H6 | 120.3° | 120.1° |
| C7 | C8 | N | H7 | 120.3° | 119.9° |
| C7 | C8 | N | C9 | 72.3° | 90.0° |
| C8 | C7 | O1 | C6 | 148.0° | 180.0° |
| C8 | C7 | H4 | H5 | 121.8° | 119.9° |
| C7 | C8 | H6 | H7 | 119.3° | 120.0° |
| O1 | C7 | C8 | N | 118.6° | 65.0° |
| C7 | O1 | C6 | C5 | 77.6° | 0.0° |
| C7 | O1 | C6 | C1 | 101.7° | 179.9° |
| O1 | C7 | H4 | H5 | 121.7° | 120.0° |
| O1 | C7 | C8 | H6 | 1.7° | 175.0° |
| O1 | C7 | C8 | H7 | 121.2° | 55.0° |
| N | C8 | C7 | H4 | 0.8° | 175.0° |
| N | C8 | C7 | H5 | 122.0° | 55.0° |
| N | C8 | H6 | H7 | 119.2° | 120.0° |
| C8 | N | C9 | H13 | 4.0° | 95.2° |
| C8 | N | C9 | H14 | 124.0° | 24.9° |
| C8 | N | C9 | H15 | 116.0° | 144.8° |
| C9 | N | C8 | H6 | 47.9° | 150.0° |
| C9 | N | C8 | H7 | 167.4° | 30.0° |
| N | C9 | H13 | H14 | 120.0° | 120.0° |
| N | C9 | H13 | H15 | 120.0° | 120.0° |
| N | C9 | H14 | H15 | 120.0° | 120.0° |
| C18 | C17 | C16 | H12 | 178.6° | 179.9° |
| C5 | C4 | C3 | H2 | 180.0° | 179.7° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C6 | O1 | 179.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.1° |
| C5 | C4 | C3 | H19 | 179.3° | 180.0° |
| C3 | C4 | C5 | C6 | 1.3° | 0.1° |
| C4 | C3 | C2 | H19 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.9° | 0.0° |
| C3 | C4 | C5 | H3 | 178.7° | 180.0° |
| C4 | C3 | C2 | H20 | 179.1° | 180.0° |
| C5 | C6 | O1 | C1 | 179.4° | 179.9° |
| C5 | C6 | C1 | C2 | 1.3° | 0.1° |
| C5 | C6 | C1 | O | 176.2° | 179.9° |
| C6 | C5 | C4 | H2 | 178.7° | 179.7° |
| C3 | C2 | C1 | C6 | 1.9° | 0.0° |
| C3 | C2 | C1 | H20 | 180.0° | 180.0° |
| C3 | C2 | C1 | O | 175.3° | 180.0° |
| C2 | C3 | C4 | H2 | 179.3° | 179.7° |
| O1 | C6 | C1 | C2 | 179.3° | 180.0° |
| O1 | C6 | C1 | O | 3.2° | 0.0° |
| O1 | C6 | C5 | H3 | 1.0° | 0.1° |
| C6 | O1 | C7 | H4 | 92.6° | 60.0° |
| C6 | O1 | C7 | H5 | 28.6° | 60.0° |
| C6 | C1 | C2 | O | 177.2° | 180.0° |
| C6 | C1 | O | C | 171.6° | 180.0° |
| C1 | C6 | C5 | H3 | 179.7° | 180.0° |
| C6 | C1 | C2 | H20 | 178.1° | 179.9° |
| C2 | C1 | O | C | 11.0° | 0.0° |
| C1 | C2 | C3 | H19 | 179.1° | 180.0° |
| C1 | O | C | H16 | 180.0° | 180.0° |
| C1 | O | C | H17 | 60.0° | 60.0° |
| C1 | O | C | H18 | 60.0° | 60.0° |
| O | C1 | C2 | H20 | 4.7° | 0.1° |
| O | C | H16 | H17 | 120.0° | 120.0° |
| O | C | H16 | H18 | 120.0° | 120.0° |
| O | C | H17 | H18 | 120.0° | 120.0° |
| H2 | C4 | C5 | H3 | 1.3° | 0.4° |
| H2 | C4 | C3 | H19 | 0.7° | 0.3° |
| H4 | C7 | C8 | H6 | 121.1° | 55.0° |
| H4 | C7 | C8 | H7 | 119.4° | 65.0° |
| H5 | C7 | C8 | H6 | 117.7° | 65.0° |
| H5 | C7 | C8 | H7 | 1.8° | 175.0° |
| H8 | C15 | C16 | H12 | 1.2° | 0.0° |
| H9 | C17 | C18 | H11 | 0.6° | 0.0° |
| H9 | C17 | C16 | H12 | 1.4° | 0.0° |
| H13 | C9 | H14 | H15 | 120.0° | 120.0° |
| H16 | C | H17 | H18 | 120.0° | 120.1° |
| H19 | C3 | C2 | H20 | 0.9° | 0.0° |
