L8F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | O1 | doub | 1.21Å | 1.22Å | |
| C13 | N3 | sing | 1.35Å | 1.35Å | |
| C11 | N3 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| C12 | N2 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | doub | 1.37Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C15 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.50Å | |
| N | C2 | sing | 1.46Å | 1.46Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C18 | C4 | sing | 1.47Å | 1.44Å | Aromatic |
| C18 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.49Å | |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.34Å | 1.37Å | Aromatic |
| C1 | O | doub | 1.21Å | 1.23Å | |
| C6 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | O1 | 120.4° | 120.0° |
| C14 | C13 | N3 | 117.3° | 120.0° |
| C13 | C14 | H20 | 109.5° | 109.4° |
| C13 | C14 | H21 | 109.4° | 109.4° |
| C13 | C14 | H22 | 109.5° | 109.4° |
| O1 | C13 | N3 | 122.3° | 120.0° |
| C13 | N3 | C11 | 123.6° | 120.9° |
| C13 | N3 | C10 | 124.8° | 120.9° |
| N3 | C11 | C12 | 108.9° | 108.5° |
| C11 | N3 | C10 | 111.3° | 118.2° |
| N3 | C11 | H11 | 109.6° | 109.6° |
| N3 | C11 | H12 | 109.6° | 109.6° |
| C11 | C12 | N2 | 110.4° | 109.6° |
| C12 | C11 | H11 | 109.6° | 109.7° |
| C12 | C11 | H12 | 109.6° | 109.7° |
| C11 | C12 | H18 | 109.3° | 109.5° |
| C11 | C12 | H19 | 109.3° | 109.5° |
| N3 | C10 | C9 | 110.1° | 108.6° |
| N3 | C10 | H5 | 109.3° | 109.7° |
| N3 | C10 | H6 | 109.3° | 109.6° |
| C12 | N2 | C9 | 110.3° | 111.5° |
| C12 | N2 | C8 | 111.6° | 111.1° |
| N2 | C12 | H18 | 109.2° | 109.7° |
| N2 | C12 | H19 | 109.3° | 109.1° |
| C17 | C16 | C15 | 120.6° | 120.5° |
| C16 | C17 | C18 | 119.7° | 119.8° |
| C16 | C17 | H8 | 120.2° | 120.1° |
| C17 | C16 | H15 | 119.7° | 119.8° |
| C16 | C15 | C7 | 121.5° | 120.6° |
| C16 | C15 | H7 | 119.2° | 119.7° |
| C15 | C16 | H15 | 119.7° | 119.7° |
| C17 | C18 | C4 | 134.1° | 134.0° |
| C17 | C18 | C6 | 119.2° | 120.0° |
| C18 | C17 | H8 | 120.1° | 120.2° |
| C10 | C9 | N2 | 111.4° | 109.3° |
| C9 | C10 | H5 | 109.3° | 109.6° |
| C9 | C10 | H6 | 109.3° | 109.6° |
| C10 | C9 | H16 | 109.0° | 109.5° |
| C10 | C9 | H17 | 109.0° | 109.4° |
| C15 | C7 | C6 | 117.4° | 119.8° |
| C15 | C7 | C8 | 120.1° | 120.1° |
| C7 | C15 | H7 | 119.2° | 119.7° |
| C | C1 | N | 116.2° | 120.0° |
| C | C1 | O | 122.1° | 120.0° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.5° | 109.5° |
| C1 | C | H25 | 109.4° | 109.5° |
| C2 | N | C1 | 122.5° | 120.0° |
| N | C2 | C3 | 112.3° | 109.5° |
| C2 | N | H9 | 118.8° | 120.0° |
| N | C2 | H13 | 108.8° | 109.5° |
| N | C2 | H14 | 108.8° | 109.4° |
| N | C1 | O | 121.6° | 120.0° |
| C1 | N | H9 | 118.7° | 120.0° |
| C4 | C3 | C2 | 113.5° | 109.5° |
| C3 | C4 | C18 | 125.7° | 126.5° |
| C3 | C4 | C5 | 127.9° | 126.5° |
| C4 | C3 | H26 | 108.5° | 109.5° |
| C4 | C3 | H27 | 108.4° | 109.5° |
| C3 | C2 | H13 | 108.7° | 109.5° |
| C3 | C2 | H14 | 108.8° | 109.5° |
| C2 | C3 | H26 | 108.4° | 109.5° |
| C2 | C3 | H27 | 108.4° | 109.5° |
| C4 | C18 | C6 | 106.7° | 106.0° |
| C18 | C4 | C5 | 106.3° | 107.0° |
| C18 | C6 | C7 | 121.6° | 119.3° |
| C18 | C6 | N1 | 107.9° | 107.2° |
| C9 | N2 | C8 | 110.9° | 111.0° |
| N2 | C9 | H16 | 109.0° | 109.5° |
| N2 | C9 | H17 | 109.0° | 109.5° |
| N2 | C8 | C7 | 114.8° | 109.5° |
| N2 | C8 | H3 | 108.1° | 109.5° |
| N2 | C8 | H4 | 108.1° | 109.4° |
| C6 | C7 | C8 | 122.3° | 120.1° |
| C7 | C6 | N1 | 130.5° | 133.5° |
| C7 | C8 | H3 | 108.1° | 109.5° |
| C7 | C8 | H4 | 108.1° | 109.5° |
| C4 | C5 | N1 | 110.4° | 109.9° |
| C4 | C5 | H2 | 124.8° | 125.0° |
| C6 | N1 | C5 | 108.7° | 109.9° |
| C6 | N1 | H1 | 125.7° | 125.1° |
| C5 | N1 | H1 | 125.7° | 125.0° |
| N1 | C5 | H2 | 124.8° | 125.0° |
| H3 | C8 | H4 | 109.4° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.8° |
| H11 | C11 | H12 | 109.5° | 109.8° |
| H13 | C2 | H14 | 109.4° | 109.4° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.4° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H23 | C | H24 | 109.4° | 109.5° |
| H23 | C | H25 | 109.5° | 109.5° |
| H24 | C | H25 | 109.5° | 109.4° |
| H26 | C3 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | O1 | N3 | 179.0° | 179.9° |
| C14 | C13 | N3 | C11 | 1.0° | 0.2° |
| C14 | C13 | N3 | C10 | 174.7° | 180.0° |
| C13 | C14 | H20 | H21 | 120.0° | 120.0° |
| C13 | C14 | H20 | H22 | 120.0° | 120.0° |
| C13 | C14 | H21 | H22 | 120.0° | 119.9° |
| O1 | C13 | N3 | C11 | 178.0° | 179.7° |
| O1 | C13 | N3 | C10 | 4.3° | 0.1° |
| O1 | C13 | C14 | H20 | 0.0° | 0.0° |
| O1 | C13 | C14 | H21 | 120.0° | 120.0° |
| O1 | C13 | C14 | H22 | 120.0° | 120.1° |
| C13 | N3 | C11 | C10 | 174.5° | 179.8° |
| C13 | N3 | C11 | C12 | 113.6° | 129.0° |
| C13 | N3 | C10 | C9 | 116.9° | 128.8° |
| C13 | N3 | C10 | H5 | 123.0° | 111.5° |
| C13 | N3 | C10 | H6 | 3.2° | 9.0° |
| C13 | N3 | C11 | H11 | 6.3° | 9.3° |
| C13 | N3 | C11 | H12 | 126.5° | 111.2° |
| N3 | C13 | C14 | H20 | 179.0° | 180.0° |
| N3 | C13 | C14 | H21 | 60.9° | 59.9° |
| N3 | C13 | C14 | H22 | 59.0° | 60.0° |
| N3 | C11 | C12 | H11 | 119.9° | 119.7° |
| N3 | C11 | C12 | H12 | 119.9° | 119.7° |
| N3 | C11 | C12 | N2 | 60.7° | 53.4° |
| C11 | N3 | C10 | C9 | 57.5° | 51.4° |
| C11 | N3 | C10 | H5 | 62.6° | 68.3° |
| C11 | N3 | C10 | H6 | 177.6° | 171.1° |
| N3 | C11 | H11 | H12 | 120.3° | 120.4° |
| N3 | C11 | C12 | H18 | 59.4° | 173.8° |
| N3 | C11 | C12 | H19 | 179.2° | 66.2° |
| C12 | C11 | N3 | C10 | 60.9° | 51.2° |
| C11 | C12 | N2 | H18 | 120.2° | 120.2° |
| C11 | C12 | N2 | H19 | 120.1° | 119.8° |
| C11 | C12 | N2 | C9 | 58.0° | 62.6° |
| C11 | C12 | N2 | C8 | 178.3° | 173.0° |
| C12 | C11 | H11 | H12 | 120.3° | 120.6° |
| C11 | C12 | H18 | H19 | 119.6° | 120.1° |
| N3 | C10 | C9 | H5 | 120.1° | 119.7° |
| N3 | C10 | C9 | H6 | 120.1° | 119.7° |
| N3 | C10 | C9 | N2 | 53.9° | 53.8° |
| N3 | C10 | H5 | H6 | 119.7° | 120.5° |
| C10 | N3 | C11 | H11 | 179.2° | 170.9° |
| C10 | N3 | C11 | H12 | 59.0° | 68.6° |
| N3 | C10 | C9 | H16 | 174.2° | 173.8° |
| N3 | C10 | C9 | H17 | 66.4° | 66.1° |
| C12 | N2 | C9 | C10 | 54.4° | 62.7° |
| C12 | N2 | C9 | C8 | 124.1° | 124.5° |
| C12 | N2 | C8 | C7 | 34.2° | 65.3° |
| C12 | N2 | C8 | H3 | 155.0° | 54.7° |
| C12 | N2 | C8 | H4 | 86.6° | 174.7° |
| N2 | C12 | C11 | H11 | 179.4° | 173.1° |
| N2 | C12 | C11 | H12 | 59.2° | 66.2° |
| C12 | N2 | C9 | H16 | 174.7° | 177.3° |
| C12 | N2 | C9 | H17 | 65.8° | 57.2° |
| N2 | C12 | H18 | H19 | 119.6° | 119.7° |
| C17 | C16 | C15 | H15 | 180.0° | 179.7° |
| C16 | C17 | C18 | H8 | 180.0° | 179.6° |
| C17 | C16 | C15 | C7 | 0.4° | 0.2° |
| C16 | C17 | C18 | C4 | 176.2° | 179.7° |
| C16 | C17 | C18 | C6 | 0.8° | 0.3° |
| C17 | C16 | C15 | H7 | 179.6° | 179.8° |
| C15 | C16 | C17 | C18 | 0.5° | 0.3° |
| C16 | C15 | C7 | H7 | 180.0° | 180.0° |
| C16 | C15 | C7 | C6 | 1.0° | 0.0° |
| C16 | C15 | C7 | C8 | 174.6° | 180.0° |
| C15 | C16 | C17 | H8 | 179.5° | 180.0° |
| C17 | C18 | C4 | C3 | 2.4° | 0.2° |
| C17 | C18 | C4 | C6 | 177.2° | 180.0° |
| C17 | C18 | C6 | C7 | 2.3° | 0.2° |
| C17 | C18 | C4 | C5 | 178.7° | 180.0° |
| C17 | C18 | C6 | N1 | 179.0° | 179.9° |
| C18 | C17 | C16 | H15 | 179.5° | 180.0° |
| C10 | C9 | N2 | H16 | 120.3° | 120.0° |
| C10 | C9 | N2 | H17 | 120.3° | 119.9° |
| C10 | C9 | N2 | C8 | 178.6° | 172.8° |
| C9 | C10 | H5 | H6 | 119.7° | 120.4° |
| C10 | C9 | H16 | H17 | 119.1° | 120.0° |
| C15 | C7 | C6 | C18 | 2.3° | 0.0° |
| C15 | C7 | C8 | N2 | 108.9° | 100.0° |
| C15 | C7 | C6 | C8 | 175.5° | 179.9° |
| C15 | C7 | C6 | N1 | 178.2° | 180.0° |
| C15 | C7 | C8 | H3 | 130.3° | 20.0° |
| C15 | C7 | C8 | H4 | 11.9° | 140.1° |
| C7 | C15 | C16 | H15 | 179.5° | 179.9° |
| C | C1 | N | C2 | 177.8° | 180.0° |
| C | C1 | N | O | 179.3° | 179.9° |
| C | C1 | N | H9 | 2.2° | 0.1° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H25 | 120.0° | 120.0° |
| C1 | C | H24 | H25 | 120.0° | 120.0° |
| C2 | N | C1 | H9 | 180.0° | 179.9° |
| N | C2 | C3 | C4 | 66.9° | 180.0° |
| N | C2 | C3 | H13 | 120.5° | 120.0° |
| N | C2 | C3 | H14 | 120.4° | 120.0° |
| C2 | N | C1 | O | 1.4° | 0.1° |
| N | C2 | H13 | H14 | 118.7° | 119.9° |
| N | C2 | C3 | H26 | 172.5° | 60.0° |
| N | C2 | C3 | H27 | 53.7° | 60.0° |
| C1 | N | C2 | C3 | 147.3° | 180.0° |
| C1 | N | C2 | H13 | 92.2° | 59.9° |
| C1 | N | C2 | H14 | 26.9° | 60.0° |
| N | C1 | C | H23 | 179.3° | 89.9° |
| N | C1 | C | H24 | 60.7° | 150.0° |
| N | C1 | C | H25 | 59.3° | 30.1° |
| C4 | C3 | C2 | H26 | 120.6° | 120.0° |
| C4 | C3 | C2 | H27 | 120.6° | 120.0° |
| C3 | C4 | C18 | C5 | 176.2° | 179.8° |
| C3 | C4 | C18 | C6 | 174.8° | 179.8° |
| C3 | C4 | C5 | N1 | 175.1° | 180.0° |
| C3 | C4 | C5 | H2 | 4.9° | 0.0° |
| C4 | C3 | C2 | H13 | 172.7° | 60.0° |
| C4 | C3 | C2 | H14 | 53.6° | 60.0° |
| C4 | C3 | H26 | H27 | 118.2° | 120.0° |
| C2 | C3 | C4 | C18 | 179.3° | 85.2° |
| C2 | C3 | C4 | C5 | 3.9° | 95.0° |
| C3 | C2 | N | H9 | 32.7° | 0.1° |
| C3 | C2 | H13 | H14 | 118.7° | 120.0° |
| C2 | C3 | H26 | H27 | 118.1° | 120.0° |
| C4 | C18 | C6 | C7 | 175.4° | 179.8° |
| C4 | C18 | C6 | N1 | 1.3° | 0.1° |
| C18 | C4 | C5 | N1 | 1.0° | 0.1° |
| C18 | C4 | C5 | H2 | 179.0° | 179.9° |
| C4 | C18 | C17 | H8 | 3.8° | 0.0° |
| C18 | C4 | C3 | H26 | 60.1° | 154.8° |
| C18 | C4 | C3 | H27 | 58.7° | 34.8° |
| C18 | C6 | C7 | N1 | 175.9° | 180.0° |
| C18 | C6 | C7 | C8 | 173.1° | 180.0° |
| C6 | C18 | C4 | C5 | 1.4° | 0.0° |
| C18 | C6 | N1 | C5 | 0.7° | 0.2° |
| C18 | C6 | N1 | H1 | 179.3° | 179.9° |
| C6 | C18 | C17 | H8 | 179.2° | 180.0° |
| C9 | N2 | C8 | C7 | 157.6° | 170.0° |
| C9 | N2 | C8 | H3 | 81.6° | 70.0° |
| C9 | N2 | C8 | H4 | 36.8° | 50.0° |
| N2 | C9 | C10 | H5 | 66.2° | 65.9° |
| N2 | C9 | C10 | H6 | 174.0° | 173.6° |
| N2 | C9 | H16 | H17 | 119.1° | 120.1° |
| C9 | N2 | C12 | H18 | 62.2° | 177.2° |
| C9 | N2 | C12 | H19 | 178.1° | 57.2° |
| N2 | C8 | C7 | C6 | 66.5° | 80.0° |
| N2 | C8 | C7 | H3 | 120.8° | 120.0° |
| N2 | C8 | C7 | H4 | 120.8° | 120.0° |
| N2 | C8 | H3 | H4 | 117.6° | 120.0° |
| C8 | N2 | C9 | H16 | 61.2° | 52.8° |
| C8 | N2 | C9 | H17 | 58.3° | 67.3° |
| C8 | N2 | C12 | H18 | 61.5° | 52.8° |
| C8 | N2 | C12 | H19 | 58.2° | 67.2° |
| C7 | C6 | N1 | C5 | 175.7° | 179.7° |
| C7 | C6 | N1 | H1 | 4.4° | 0.1° |
| C6 | C7 | C8 | H3 | 54.3° | 160.0° |
| C6 | C7 | C8 | H4 | 172.7° | 40.0° |
| C6 | C7 | C15 | H7 | 179.0° | 180.0° |
| C8 | C7 | C6 | N1 | 2.8° | 0.1° |
| C7 | C8 | H3 | H4 | 117.5° | 120.0° |
| C8 | C7 | C15 | H7 | 5.4° | 0.0° |
| C4 | C5 | N1 | C6 | 0.2° | 0.2° |
| C4 | C5 | N1 | H2 | 180.0° | 180.0° |
| C4 | C5 | N1 | H1 | 179.8° | 179.9° |
| C5 | C4 | C3 | H26 | 124.5° | 25.0° |
| C5 | C4 | C3 | H27 | 116.7° | 145.0° |
| O | C1 | N | H9 | 178.6° | 180.0° |
| O | C1 | C | H23 | 0.0° | 90.0° |
| O | C1 | C | H24 | 120.0° | 30.1° |
| O | C1 | C | H25 | 120.0° | 150.0° |
| C6 | N1 | C5 | H1 | 180.0° | 179.8° |
| C6 | N1 | C5 | H2 | 179.8° | 179.8° |
| H1 | N1 | C5 | H2 | 0.2° | 0.0° |
| H5 | C10 | C9 | H16 | 54.1° | 54.1° |
| H5 | C10 | C9 | H17 | 173.6° | 174.1° |
| H6 | C10 | C9 | H16 | 65.7° | 66.4° |
| H6 | C10 | C9 | H17 | 53.7° | 53.6° |
| H7 | C15 | C16 | H15 | 0.5° | 0.1° |
| H8 | C17 | C16 | H15 | 0.5° | 0.3° |
| H9 | N | C2 | H13 | 87.8° | 120.0° |
| H9 | N | C2 | H14 | 153.1° | 120.1° |
| H11 | C11 | C12 | H18 | 60.5° | 66.6° |
| H11 | C11 | C12 | H19 | 59.3° | 53.5° |
| H12 | C11 | C12 | H18 | 179.4° | 54.1° |
| H12 | C11 | C12 | H19 | 60.9° | 174.2° |
| H13 | C2 | C3 | H26 | 52.1° | 60.0° |
| H13 | C2 | C3 | H27 | 66.7° | 180.0° |
| H14 | C2 | C3 | H26 | 67.0° | 180.0° |
| H14 | C2 | C3 | H27 | 174.1° | 60.0° |
| H20 | C14 | H21 | H22 | 120.0° | 120.1° |
| H23 | C | H24 | H25 | 120.0° | 120.0° |
