L5H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| O1 | C9 | doub | 1.22Å | 1.24Å | |
| C18 | C19 | doub | 1.35Å | 1.38Å | Aromatic |
| C18 | N5 | sing | 1.34Å | 1.32Å | Aromatic |
| C19 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.51Å | |
| C10 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | N3 | sing | 1.35Å | 1.35Å | |
| N5 | C17 | doub | 1.31Å | 1.32Å | Aromatic |
| F1 | C16 | sing | 1.40Å | 1.33Å | |
| N4 | C5 | sing | 1.40Å | 1.41Å | |
| N4 | C17 | sing | 1.36Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | N2 | sing | 1.39Å | 1.43Å | |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| N2 | C8 | sing | 1.35Å | 1.37Å | |
| C6 | C16 | sing | 1.51Å | 1.54Å | |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | F3 | sing | 1.40Å | 1.33Å | |
| C16 | F2 | sing | 1.40Å | 1.33Å | |
| C8 | O3 | doub | 1.21Å | 1.24Å | |
| C8 | C7 | sing | 1.49Å | 1.52Å | |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.39Å | 1.40Å | |
| N1 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | O2 | doub | 1.21Å | 1.23Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 120.1° | 120.2° |
| C12 | C11 | C10 | 120.0° | 119.8° |
| C12 | C11 | H5 | 120.0° | 120.1° |
| C11 | C12 | H6 | 119.9° | 119.9° |
| C12 | C13 | C14 | 120.6° | 120.2° |
| C12 | C13 | H7 | 119.7° | 119.9° |
| C13 | C12 | H6 | 120.0° | 119.9° |
| C11 | C10 | C9 | 121.6° | 120.1° |
| C11 | C10 | C15 | 119.0° | 119.7° |
| C10 | C11 | H5 | 120.0° | 120.1° |
| O1 | C9 | C10 | 122.8° | 120.0° |
| O1 | C9 | N3 | 126.8° | 120.0° |
| C19 | C18 | N5 | 111.3° | 108.2° |
| C18 | C19 | N4 | 106.4° | 106.9° |
| C19 | C18 | H11 | 124.4° | 125.9° |
| C18 | C19 | H12 | 126.8° | 126.5° |
| C18 | N5 | C17 | 105.1° | 109.4° |
| N5 | C18 | H11 | 124.4° | 125.9° |
| C19 | N4 | C5 | 125.8° | 126.5° |
| C19 | N4 | C17 | 103.8° | 107.1° |
| N4 | C19 | H12 | 126.8° | 126.6° |
| C13 | C14 | C15 | 119.4° | 120.2° |
| C14 | C13 | H7 | 119.7° | 119.9° |
| C13 | C14 | H8 | 120.3° | 119.9° |
| C9 | C10 | C15 | 119.3° | 120.2° |
| C10 | C9 | N3 | 110.4° | 120.0° |
| C10 | C15 | C14 | 120.8° | 119.8° |
| C10 | C15 | H9 | 119.6° | 120.0° |
| C9 | N3 | N2 | 128.1° | 120.0° |
| C9 | N3 | H4 | 115.9° | 120.1° |
| N5 | C17 | N4 | 113.5° | 108.6° |
| N5 | C17 | H10 | 123.3° | 125.7° |
| F1 | C16 | C6 | 112.3° | 109.5° |
| F1 | C16 | F3 | 107.7° | 109.5° |
| F1 | C16 | F2 | 108.2° | 109.5° |
| C5 | N4 | C17 | 130.3° | 126.5° |
| N4 | C5 | C4 | 117.9° | 119.9° |
| N4 | C5 | C6 | 121.5° | 120.0° |
| N4 | C17 | H10 | 123.3° | 125.7° |
| C14 | C15 | H9 | 119.6° | 120.1° |
| C15 | C14 | H8 | 120.3° | 120.0° |
| C5 | C4 | C3 | 120.9° | 120.0° |
| C4 | C5 | C6 | 120.5° | 120.1° |
| C5 | C4 | H2 | 119.6° | 120.0° |
| C4 | C3 | N2 | 124.8° | 119.7° |
| C4 | C3 | C2 | 118.1° | 119.8° |
| C3 | C4 | H2 | 119.6° | 120.0° |
| N3 | N2 | C3 | 119.1° | 119.9° |
| N3 | N2 | C8 | 115.1° | 120.0° |
| N2 | N3 | H4 | 115.9° | 120.0° |
| C5 | C6 | C16 | 121.8° | 119.9° |
| C5 | C6 | C1 | 118.5° | 120.2° |
| N2 | C3 | C2 | 117.1° | 120.6° |
| C3 | N2 | C8 | 125.7° | 120.1° |
| C3 | C2 | C1 | 121.3° | 119.8° |
| C3 | C2 | N1 | 118.5° | 120.5° |
| N2 | C8 | O3 | 126.2° | 120.3° |
| N2 | C8 | C7 | 115.5° | 119.4° |
| C16 | C6 | C1 | 119.7° | 119.9° |
| C6 | C16 | F3 | 112.5° | 109.5° |
| C6 | C16 | F2 | 108.5° | 109.4° |
| C6 | C1 | C2 | 120.7° | 120.1° |
| C6 | C1 | H1 | 119.7° | 120.0° |
| F3 | C16 | F2 | 107.3° | 109.5° |
| O3 | C8 | C7 | 118.3° | 120.3° |
| C8 | C7 | N1 | 116.6° | 119.3° |
| C8 | C7 | O2 | 120.4° | 120.4° |
| C1 | C2 | N1 | 120.2° | 119.7° |
| C2 | C1 | H1 | 119.7° | 119.9° |
| C2 | N1 | C7 | 126.6° | 120.1° |
| C2 | N1 | H3 | 116.7° | 119.9° |
| N1 | C7 | O2 | 123.0° | 120.3° |
| C7 | N1 | H3 | 116.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | H5 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C12 | C11 | C10 | C9 | 179.5° | 180.0° |
| C12 | C11 | C10 | C15 | 0.5° | 0.2° |
| C11 | C12 | C13 | H7 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.1° |
| C12 | C13 | C14 | H7 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C13 | C12 | C11 | H5 | 179.7° | 180.0° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C11 | C10 | C9 | O1 | 38.6° | 179.7° |
| C11 | C10 | C9 | C15 | 179.1° | 179.8° |
| C11 | C10 | C9 | N3 | 141.2° | 0.2° |
| C11 | C10 | C15 | C14 | 0.4° | 0.3° |
| C11 | C10 | C15 | H9 | 179.6° | 179.8° |
| C10 | C11 | C12 | H6 | 179.7° | 180.0° |
| O1 | C9 | C10 | N3 | 179.9° | 179.9° |
| O1 | C9 | C10 | C15 | 142.3° | 0.0° |
| O1 | C9 | N3 | N2 | 0.7° | 0.0° |
| O1 | C9 | N3 | H4 | 179.4° | 180.0° |
| C19 | C18 | N5 | H11 | 180.0° | 179.9° |
| C18 | C19 | N4 | H12 | 180.0° | 180.0° |
| C19 | C18 | N5 | C17 | 0.2° | 0.1° |
| C18 | C19 | N4 | C5 | 179.8° | 179.9° |
| C18 | C19 | N4 | C17 | 0.2° | 0.2° |
| N5 | C18 | C19 | N4 | 0.0° | 0.0° |
| C18 | N5 | C17 | N4 | 0.3° | 0.2° |
| C18 | N5 | C17 | H10 | 179.7° | 180.0° |
| N5 | C18 | C19 | H12 | 180.0° | 180.0° |
| C19 | N4 | C17 | N5 | 0.3° | 0.2° |
| C19 | N4 | C5 | C17 | 179.5° | 180.0° |
| C19 | N4 | C5 | C4 | 85.8° | 57.1° |
| C19 | N4 | C5 | C6 | 92.5° | 122.9° |
| C19 | N4 | C17 | H10 | 179.7° | 180.0° |
| N4 | C19 | C18 | H11 | 180.0° | 179.9° |
| C13 | C14 | C15 | C10 | 0.2° | 0.0° |
| C13 | C14 | C15 | H8 | 180.0° | 179.7° |
| C13 | C14 | C15 | H9 | 179.9° | 179.9° |
| C14 | C13 | C12 | H6 | 179.9° | 179.7° |
| C9 | C10 | C15 | C14 | 179.5° | 180.0° |
| C10 | C9 | N3 | N2 | 179.5° | 179.9° |
| C10 | C9 | N3 | H4 | 0.5° | 0.0° |
| C9 | C10 | C15 | H9 | 0.5° | 0.0° |
| C9 | C10 | C11 | H5 | 0.5° | 0.1° |
| C15 | C10 | C9 | N3 | 37.9° | 180.0° |
| C10 | C15 | C14 | H9 | 180.0° | 179.9° |
| C15 | C10 | C11 | H5 | 179.6° | 179.7° |
| C10 | C15 | C14 | H8 | 179.8° | 179.7° |
| C9 | N3 | N2 | H4 | 180.0° | 179.9° |
| C9 | N3 | N2 | C3 | 94.4° | 105.0° |
| C9 | N3 | N2 | C8 | 89.0° | 75.0° |
| N5 | C17 | N4 | C5 | 179.9° | 179.8° |
| N5 | C17 | N4 | H10 | 180.0° | 179.8° |
| C17 | N5 | C18 | H11 | 179.8° | 179.8° |
| F1 | C16 | C6 | C5 | 60.4° | 65.3° |
| F1 | C16 | C6 | F3 | 121.8° | 120.1° |
| F1 | C16 | C6 | F2 | 119.6° | 119.9° |
| F1 | C16 | C6 | C1 | 120.6° | 113.4° |
| F1 | C16 | F3 | F2 | 116.3° | 120.0° |
| N4 | C5 | C4 | C6 | 178.3° | 180.0° |
| N4 | C5 | C4 | C3 | 179.2° | 180.0° |
| N4 | C5 | C6 | C16 | 1.8° | 0.1° |
| N4 | C5 | C6 | C1 | 179.2° | 178.7° |
| N4 | C5 | C4 | H2 | 0.8° | 0.0° |
| C5 | N4 | C17 | H10 | 0.1° | 0.0° |
| C5 | N4 | C19 | H12 | 0.2° | 0.1° |
| C17 | N4 | C5 | C4 | 94.7° | 122.8° |
| C17 | N4 | C5 | C6 | 87.0° | 57.2° |
| C17 | N4 | C19 | H12 | 179.9° | 179.8° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | N2 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.8° |
| C4 | C5 | C6 | C16 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 1.0° | 1.3° |
| C4 | C3 | N2 | N3 | 3.0° | 0.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C4 | C3 | N2 | C2 | 179.1° | 179.2° |
| C4 | C3 | N2 | C8 | 179.1° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.2° |
| C4 | C3 | C2 | N1 | 180.0° | 179.7° |
| N3 | N2 | C3 | C8 | 176.1° | 179.9° |
| N3 | N2 | C3 | C2 | 177.9° | 179.2° |
| N3 | N2 | C8 | O3 | 2.9° | 0.5° |
| N3 | N2 | C8 | C7 | 178.0° | 179.4° |
| C5 | C6 | C16 | C1 | 179.0° | 178.6° |
| C5 | C6 | C16 | F3 | 177.9° | 174.7° |
| C5 | C6 | C16 | F2 | 59.2° | 54.7° |
| C5 | C6 | C1 | C2 | 0.6° | 1.9° |
| C6 | C5 | C4 | H2 | 179.1° | 180.0° |
| C5 | C6 | C1 | H1 | 179.4° | 179.9° |
| C3 | N2 | C8 | O3 | 179.1° | 179.5° |
| C3 | N2 | C8 | C7 | 1.7° | 0.5° |
| N2 | C3 | C2 | C1 | 179.2° | 179.5° |
| N2 | C3 | C2 | N1 | 0.8° | 0.5° |
| C3 | N2 | N3 | H4 | 85.6° | 75.1° |
| N2 | C3 | C4 | H2 | 0.5° | 0.0° |
| C2 | C3 | N2 | C8 | 1.8° | 0.8° |
| C3 | C2 | C1 | C6 | 0.1° | 1.1° |
| C3 | C2 | C1 | N1 | 180.0° | 179.9° |
| C3 | C2 | N1 | C7 | 0.0° | 0.1° |
| C3 | C2 | N1 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | H2 | 179.6° | 179.2° |
| C3 | C2 | C1 | H1 | 179.9° | 179.3° |
| N2 | C8 | O3 | C7 | 179.1° | 180.0° |
| N2 | C8 | C7 | N1 | 0.8° | 0.0° |
| N2 | C8 | C7 | O2 | 179.2° | 180.0° |
| C8 | N2 | N3 | H4 | 90.9° | 105.0° |
| C6 | C16 | F3 | F2 | 119.3° | 119.9° |
| C16 | C6 | C1 | C2 | 179.6° | 179.5° |
| C16 | C6 | C1 | H1 | 0.4° | 1.3° |
| C1 | C6 | C16 | F3 | 1.1° | 6.7° |
| C1 | C6 | C16 | F2 | 119.8° | 126.7° |
| C6 | C1 | C2 | H1 | 180.0° | 178.2° |
| C6 | C1 | C2 | N1 | 179.9° | 179.0° |
| O3 | C8 | C7 | N1 | 180.0° | 180.0° |
| O3 | C8 | C7 | O2 | 0.0° | 0.0° |
| C8 | C7 | N1 | C2 | 0.0° | 0.3° |
| C8 | C7 | N1 | O2 | 180.0° | 180.0° |
| C8 | C7 | N1 | H3 | 180.0° | 180.0° |
| C1 | C2 | N1 | C7 | 180.0° | 180.0° |
| C1 | C2 | N1 | H3 | 0.0° | 0.3° |
| C2 | N1 | C7 | H3 | 180.0° | 179.7° |
| C2 | N1 | C7 | O2 | 180.0° | 179.7° |
| N1 | C2 | C1 | H1 | 0.1° | 0.8° |
| O2 | C7 | N1 | H3 | 0.0° | 0.0° |
| H7 | C13 | C12 | H6 | 0.1° | 0.1° |
| H7 | C13 | C14 | H8 | 0.0° | 0.3° |
| H9 | C15 | C14 | H8 | 0.2° | 0.2° |
| H5 | C11 | C12 | H6 | 0.3° | 0.1° |
| H11 | C18 | C19 | H12 | 0.0° | 0.1° |
