L8Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C19 | sing | 1.35Å | 1.33Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.47Å | 1.50Å | |
| C19 | O2 | doub | 1.22Å | 1.24Å | |
| C18 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | N2 | sing | 1.39Å | 1.41Å | |
| N2 | C5 | sing | 1.39Å | 1.42Å | |
| O1 | C6 | doub | 1.22Å | 1.22Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C1 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| F1 | C11 | sing | 1.35Å | 1.36Å | |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.47Å | 1.50Å | |
| C6 | N4 | sing | 1.35Å | 1.33Å | |
| N5 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | N4 | sing | 1.47Å | 1.45Å | |
| C3 | N3 | sing | 1.39Å | 1.39Å | |
| C3 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| C9 | N3 | sing | 1.39Å | 1.37Å | |
| C9 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C19 | C18 | 117.9° | 120.0° |
| N6 | C19 | O2 | 122.3° | 120.0° |
| C19 | N6 | H16 | 120.0° | 120.0° |
| C19 | N6 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | 120.6° | 119.9° |
| C17 | C16 | C15 | 120.2° | 120.4° |
| C16 | C17 | H15 | 119.7° | 120.1° |
| C17 | C16 | H14 | 119.9° | 119.8° |
| C17 | C18 | C19 | 118.5° | 120.2° |
| C17 | C18 | C8 | 119.1° | 119.6° |
| C18 | C17 | H15 | 119.7° | 120.0° |
| C16 | C15 | C14 | 120.3° | 120.4° |
| C15 | C16 | H14 | 119.9° | 119.8° |
| C16 | C15 | H13 | 119.9° | 119.8° |
| C18 | C19 | O2 | 119.8° | 120.0° |
| C19 | C18 | C8 | 121.4° | 120.2° |
| C18 | C8 | C14 | 119.2° | 119.6° |
| C18 | C8 | N2 | 120.2° | 120.2° |
| C15 | C14 | C8 | 120.5° | 120.1° |
| C14 | C15 | H13 | 119.8° | 119.8° |
| C15 | C14 | H12 | 119.8° | 120.0° |
| C14 | C8 | N2 | 120.4° | 120.2° |
| C8 | C14 | H12 | 119.8° | 119.9° |
| C8 | N2 | C5 | 130.2° | 120.0° |
| C8 | N2 | H3 | 114.9° | 120.0° |
| N2 | C5 | C4 | 121.8° | 120.9° |
| N2 | C5 | C1 | 120.7° | 120.9° |
| C5 | N2 | H3 | 114.9° | 120.0° |
| O1 | C6 | C1 | 120.1° | 120.0° |
| O1 | C6 | N4 | 122.3° | 120.0° |
| C4 | C5 | C1 | 117.5° | 118.2° |
| C5 | C4 | C3 | 119.7° | 119.2° |
| C5 | C4 | H2 | 120.1° | 120.4° |
| C5 | C1 | C6 | 121.1° | 120.5° |
| C5 | C1 | C2 | 117.8° | 118.9° |
| N5 | C10 | C11 | 122.2° | 120.8° |
| C10 | N5 | C9 | 118.0° | 121.7° |
| N5 | C10 | H9 | 118.9° | 119.6° |
| C10 | C11 | F1 | 121.3° | 120.3° |
| C10 | C11 | C12 | 120.0° | 119.3° |
| C11 | C10 | H9 | 118.9° | 119.6° |
| F1 | C11 | C12 | 118.6° | 120.4° |
| C4 | C3 | N3 | 124.2° | 119.5° |
| C4 | C3 | N1 | 122.7° | 121.0° |
| C3 | C4 | H2 | 120.1° | 120.4° |
| C1 | C6 | N4 | 117.7° | 120.0° |
| C6 | C1 | C2 | 120.8° | 120.6° |
| C6 | N4 | C7 | 121.8° | 120.0° |
| C6 | N4 | H5 | 119.1° | 120.0° |
| N5 | C9 | N3 | 117.7° | 119.7° |
| N5 | C9 | C13 | 122.8° | 120.6° |
| C11 | C12 | C13 | 118.2° | 118.4° |
| C11 | C12 | H10 | 120.9° | 120.8° |
| C1 | C2 | N1 | 124.5° | 120.7° |
| C1 | C2 | H1 | 117.8° | 119.6° |
| C7 | N4 | H5 | 119.1° | 120.0° |
| N4 | C7 | H6 | 109.5° | 109.5° |
| N4 | C7 | H7 | 109.4° | 109.5° |
| N4 | C7 | H8 | 109.5° | 109.5° |
| N3 | C3 | N1 | 113.1° | 119.5° |
| C3 | N3 | C9 | 133.1° | 120.0° |
| C3 | N3 | H4 | 113.5° | 120.0° |
| C3 | N1 | C2 | 117.8° | 122.0° |
| N3 | C9 | C13 | 119.6° | 119.7° |
| C9 | N3 | H4 | 113.5° | 120.0° |
| C9 | C13 | C12 | 118.7° | 119.2° |
| C9 | C13 | H11 | 120.6° | 120.4° |
| C12 | C13 | H11 | 120.7° | 120.4° |
| C13 | C12 | H10 | 120.9° | 120.8° |
| N1 | C2 | H1 | 117.8° | 119.7° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H8 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H16 | N6 | H17 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C19 | C18 | C17 | 63.7° | 4.6° |
| N6 | C19 | C18 | O2 | 179.7° | 180.0° |
| N6 | C19 | C18 | C8 | 128.0° | 175.7° |
| C19 | N6 | H16 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H15 | 180.0° | 179.9° |
| C17 | C16 | C15 | H14 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 166.1° | 179.7° |
| C16 | C17 | C18 | C8 | 2.5° | 0.0° |
| C17 | C16 | C15 | C14 | 1.3° | 0.0° |
| C17 | C16 | C15 | H13 | 178.7° | 180.0° |
| C18 | C17 | C16 | C15 | 2.0° | 0.0° |
| C17 | C18 | C19 | C8 | 168.3° | 179.7° |
| C17 | C18 | C19 | O2 | 116.5° | 175.4° |
| C17 | C18 | C8 | C14 | 2.2° | 0.0° |
| C17 | C18 | C8 | N2 | 176.5° | 179.9° |
| C18 | C17 | C16 | H14 | 178.0° | 180.0° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C16 | C15 | C14 | C8 | 1.1° | 0.0° |
| C15 | C16 | C17 | H15 | 178.0° | 179.9° |
| C16 | C15 | C14 | H12 | 178.9° | 180.0° |
| C19 | C18 | C8 | C14 | 166.0° | 179.7° |
| C19 | C18 | C8 | N2 | 8.3° | 0.3° |
| C19 | C18 | C17 | H15 | 13.9° | 0.2° |
| C18 | C19 | N6 | H16 | 179.7° | 0.0° |
| C18 | C19 | N6 | H17 | 0.2° | 180.0° |
| O2 | C19 | C18 | C8 | 51.7° | 4.3° |
| O2 | C19 | N6 | H16 | 0.0° | 180.0° |
| O2 | C19 | N6 | H17 | 180.0° | 0.0° |
| C18 | C8 | C14 | C15 | 1.6° | 0.0° |
| C18 | C8 | C14 | N2 | 174.2° | 179.9° |
| C18 | C8 | N2 | C5 | 138.1° | 162.1° |
| C8 | C18 | C17 | H15 | 177.5° | 179.9° |
| C18 | C8 | N2 | H3 | 41.9° | 17.9° |
| C18 | C8 | C14 | H12 | 178.4° | 180.0° |
| C15 | C14 | C8 | H12 | 180.0° | 179.9° |
| C15 | C14 | C8 | N2 | 175.8° | 180.0° |
| C14 | C15 | C16 | H14 | 178.7° | 180.0° |
| C14 | C8 | N2 | C5 | 47.7° | 17.8° |
| C8 | C14 | C15 | H13 | 178.9° | 180.0° |
| C14 | C8 | N2 | H3 | 132.2° | 162.1° |
| C8 | N2 | C5 | H3 | 180.0° | 179.9° |
| C8 | N2 | C5 | C4 | 13.8° | 32.8° |
| C8 | N2 | C5 | C1 | 166.5° | 147.3° |
| N2 | C8 | C14 | H12 | 4.2° | 0.1° |
| N2 | C5 | C4 | C1 | 179.7° | 180.0° |
| N2 | C5 | C4 | C3 | 179.1° | 180.0° |
| N2 | C5 | C1 | C6 | 6.0° | 0.2° |
| N2 | C5 | C1 | C2 | 179.9° | 180.0° |
| N2 | C5 | C4 | H2 | 1.0° | 0.0° |
| O1 | C6 | C1 | C5 | 18.1° | 4.7° |
| O1 | C6 | C1 | N4 | 178.7° | 180.0° |
| O1 | C6 | C1 | C2 | 155.8° | 175.1° |
| O1 | C6 | N4 | C7 | 8.7° | 0.0° |
| O1 | C6 | N4 | H5 | 171.3° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C5 | C1 | C6 | 174.2° | 179.7° |
| C4 | C5 | C1 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | N3 | 178.2° | 180.0° |
| C5 | C4 | C3 | N1 | 0.7° | 0.0° |
| C4 | C5 | N2 | H3 | 166.2° | 147.3° |
| C1 | C5 | C4 | C3 | 0.7° | 0.0° |
| C5 | C1 | C6 | C2 | 173.9° | 179.8° |
| C5 | C1 | C6 | N4 | 163.2° | 175.3° |
| C5 | C1 | C2 | N1 | 1.1° | 0.0° |
| C5 | C1 | C2 | H1 | 178.9° | 179.9° |
| C1 | C5 | C4 | H2 | 179.3° | 180.0° |
| C1 | C5 | N2 | H3 | 13.6° | 32.6° |
| N5 | C10 | C11 | H9 | 180.0° | 179.7° |
| N5 | C10 | C11 | F1 | 179.8° | 179.7° |
| N5 | C10 | C11 | C12 | 2.5° | 0.3° |
| C10 | N5 | C9 | N3 | 179.2° | 180.0° |
| C10 | N5 | C9 | C13 | 0.4° | 0.1° |
| C10 | C11 | F1 | C12 | 177.7° | 179.9° |
| C11 | C10 | N5 | C9 | 3.2° | 0.4° |
| C10 | C11 | C12 | C13 | 1.1° | 0.0° |
| C10 | C11 | C12 | H10 | 178.9° | 179.9° |
| F1 | C11 | C12 | C13 | 176.6° | 180.0° |
| F1 | C11 | C12 | H10 | 3.4° | 0.0° |
| F1 | C11 | C10 | H9 | 0.2° | 0.0° |
| C4 | C3 | N3 | N1 | 179.0° | 180.0° |
| C4 | C3 | N3 | C9 | 3.0° | 173.9° |
| C4 | C3 | N1 | C2 | 0.2° | 0.0° |
| C4 | C3 | N3 | H4 | 177.1° | 6.2° |
| C1 | C6 | N4 | C7 | 169.9° | 180.0° |
| C6 | C1 | C2 | N1 | 175.2° | 179.7° |
| C6 | C1 | C2 | H1 | 4.8° | 0.3° |
| C1 | C6 | N4 | H5 | 10.0° | 0.0° |
| N4 | C6 | C1 | C2 | 22.9° | 4.9° |
| C6 | N4 | C7 | H5 | 180.0° | 180.0° |
| C6 | N4 | C7 | H6 | 180.0° | 180.0° |
| C6 | N4 | C7 | H7 | 60.0° | 60.0° |
| C6 | N4 | C7 | H8 | 60.0° | 60.0° |
| N5 | C9 | N3 | C3 | 2.4° | 161.0° |
| N5 | C9 | N3 | C13 | 179.6° | 179.9° |
| N5 | C9 | C13 | C12 | 3.2° | 0.2° |
| N5 | C9 | C13 | H11 | 176.8° | 179.9° |
| N5 | C9 | N3 | H4 | 177.6° | 19.0° |
| C9 | N5 | C10 | H9 | 176.8° | 179.9° |
| C11 | C12 | C13 | C9 | 3.7° | 0.3° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H11 | 176.2° | 180.0° |
| C12 | C11 | C10 | H9 | 177.5° | 180.0° |
| C1 | C2 | N1 | C3 | 1.1° | 0.0° |
| C1 | C2 | N1 | H1 | 180.0° | 180.0° |
| N4 | C7 | H6 | H7 | 120.0° | 120.0° |
| N4 | C7 | H6 | H8 | 120.0° | 120.0° |
| N4 | C7 | H7 | H8 | 120.0° | 120.0° |
| C3 | N3 | C9 | H4 | 180.0° | 180.0° |
| C3 | N3 | C9 | C13 | 178.0° | 19.1° |
| N3 | C3 | N1 | C2 | 179.2° | 180.0° |
| N3 | C3 | C4 | H2 | 1.8° | 0.0° |
| N1 | C3 | N3 | C9 | 176.0° | 6.2° |
| C3 | N1 | C2 | H1 | 178.9° | 180.0° |
| N1 | C3 | C4 | H2 | 179.3° | 180.0° |
| N1 | C3 | N3 | H4 | 3.9° | 173.8° |
| N3 | C9 | C13 | C12 | 177.3° | 179.7° |
| N3 | C9 | C13 | H11 | 2.7° | 0.0° |
| C9 | C13 | C12 | H11 | 180.0° | 179.7° |
| C9 | C13 | C12 | H10 | 176.2° | 179.8° |
| C13 | C9 | N3 | H4 | 2.0° | 160.9° |
| H11 | C13 | C12 | H10 | 3.8° | 0.1° |
| H15 | C17 | C16 | H14 | 2.0° | 0.1° |
| H14 | C16 | C15 | H13 | 1.3° | 0.0° |
| H13 | C15 | C14 | H12 | 1.1° | 0.0° |
| H5 | N4 | C7 | H6 | 0.0° | 0.0° |
| H5 | N4 | C7 | H7 | 120.0° | 120.0° |
| H5 | N4 | C7 | H8 | 120.0° | 120.0° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
