YN8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | Aromatic |
| N1 | N2 | sing | 1.29Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
| N2 | C4 | doub | 1.31Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.47Å | 1.40Å | Aromatic |
| C3 | C19 | sing | 1.47Å | 1.42Å | |
| C4 | C5 | sing | 1.47Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C11 | sing | 1.53Å | 1.50Å | |
| C5 | O1 | doub | 1.22Å | 1.22Å | |
| C5 | N3 | sing | 1.34Å | 1.39Å | |
| C11 | C10 | sing | 1.51Å | 1.47Å | |
| F1 | C17 | sing | 1.35Å | 1.35Å | |
| C17 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | N3 | sing | 1.39Å | 1.41Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| N3 | C6 | sing | 1.40Å | 1.44Å | |
| C16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | CL1 | sing | 1.74Å | 1.72Å | |
| C10 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | N4 | sing | 1.32Å | 1.35Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| N4 | C9 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 127.0° | 124.1° |
| C1 | N1 | N2 | 119.6° | 124.2° |
| N1 | C1 | H6 | 109.5° | 109.5° |
| N1 | C1 | H7 | 109.5° | 109.4° |
| N1 | C1 | H8 | 109.4° | 109.5° |
| C2 | N1 | N2 | 113.1° | 111.7° |
| N1 | C2 | C3 | 106.0° | 107.0° |
| N1 | C2 | H9 | 127.0° | 126.5° |
| N1 | N2 | C4 | 104.7° | 110.5° |
| C2 | C3 | C4 | 105.9° | 104.9° |
| C2 | C3 | C19 | 133.5° | 137.0° |
| C3 | C2 | H9 | 127.0° | 126.5° |
| N2 | C4 | C3 | 110.0° | 106.0° |
| N2 | C4 | C5 | 127.1° | 136.0° |
| C4 | C3 | C19 | 120.5° | 118.1° |
| C3 | C4 | C5 | 122.8° | 118.0° |
| C3 | C19 | C18 | 123.7° | 120.9° |
| C3 | C19 | C14 | 117.3° | 119.0° |
| C4 | C5 | O1 | 125.3° | 119.9° |
| C4 | C5 | N3 | 115.0° | 120.3° |
| C13 | C12 | C11 | 60.5° | 60.0° |
| C12 | C13 | C11 | 60.9° | 60.0° |
| C12 | C13 | H3 | 119.8° | 117.4° |
| C12 | C13 | H4 | 119.8° | 117.6° |
| C13 | C12 | H12 | 119.9° | 117.6° |
| C13 | C12 | H13 | 119.9° | 117.5° |
| C12 | C11 | C13 | 58.6° | 60.0° |
| C12 | C11 | C10 | 119.8° | 117.5° |
| C12 | C11 | H11 | 114.9° | 117.5° |
| C11 | C12 | H12 | 119.9° | 117.5° |
| C11 | C12 | H13 | 119.9° | 117.5° |
| C19 | C18 | C17 | 119.8° | 119.9° |
| C18 | C19 | C14 | 119.0° | 120.1° |
| C19 | C18 | H14 | 120.1° | 120.0° |
| C18 | C17 | F1 | 120.5° | 120.0° |
| C18 | C17 | C16 | 120.9° | 120.0° |
| C17 | C18 | H14 | 120.1° | 120.0° |
| C19 | C14 | N3 | 120.2° | 121.3° |
| C19 | C14 | C15 | 119.6° | 119.2° |
| C13 | C11 | C10 | 121.4° | 117.5° |
| C11 | C13 | H3 | 119.8° | 117.5° |
| C11 | C13 | H4 | 119.8° | 117.5° |
| C13 | C11 | H11 | 115.0° | 117.5° |
| O1 | C5 | N3 | 119.7° | 119.8° |
| C5 | N3 | C14 | 124.1° | 123.2° |
| C5 | N3 | C6 | 115.0° | 118.4° |
| C11 | C10 | C6 | 122.4° | 119.6° |
| C11 | C10 | N4 | 117.1° | 119.7° |
| C10 | C11 | H11 | 115.4° | 115.6° |
| F1 | C17 | C16 | 118.6° | 120.0° |
| C17 | C16 | C15 | 121.5° | 120.5° |
| C17 | C16 | CL1 | 118.7° | 119.7° |
| N3 | C14 | C15 | 120.2° | 119.5° |
| C14 | N3 | C6 | 120.0° | 118.4° |
| C14 | C15 | C16 | 119.2° | 120.3° |
| C14 | C15 | H5 | 120.4° | 119.9° |
| N3 | C6 | C10 | 114.4° | 120.5° |
| N3 | C6 | C7 | 124.7° | 120.5° |
| C15 | C16 | CL1 | 119.8° | 119.8° |
| C16 | C15 | H5 | 120.4° | 119.9° |
| C6 | C10 | N4 | 120.5° | 120.7° |
| C10 | C6 | C7 | 120.9° | 119.0° |
| C10 | N4 | C9 | 118.4° | 121.8° |
| C6 | C7 | C8 | 117.9° | 118.4° |
| C6 | C7 | H1 | 121.1° | 120.8° |
| N4 | C9 | C8 | 123.4° | 120.9° |
| N4 | C9 | H10 | 118.3° | 119.5° |
| C7 | C8 | C9 | 118.9° | 119.2° |
| C8 | C7 | H1 | 121.0° | 120.8° |
| C7 | C8 | H2 | 120.5° | 120.4° |
| C9 | C8 | H2 | 120.6° | 120.4° |
| C8 | C9 | H10 | 118.3° | 119.5° |
| H3 | C13 | H4 | 109.5° | 115.6° |
| H6 | C1 | H7 | 109.4° | 109.5° |
| H6 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | N2 | 174.2° | 179.7° |
| C1 | N1 | C2 | C3 | 178.9° | 179.8° |
| C1 | N1 | N2 | C4 | 179.8° | 179.7° |
| N1 | C1 | H6 | H7 | 120.0° | 120.0° |
| N1 | C1 | H6 | H8 | 120.0° | 120.0° |
| N1 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | N1 | C2 | H9 | 1.1° | 0.3° |
| N1 | C2 | C3 | H9 | 180.0° | 180.0° |
| C2 | N1 | N2 | C4 | 5.5° | 0.0° |
| N1 | C2 | C3 | C4 | 1.9° | 0.1° |
| N1 | C2 | C3 | C19 | 174.6° | 180.0° |
| C2 | N1 | C1 | H6 | 173.9° | 90.0° |
| C2 | N1 | C1 | H7 | 66.1° | 150.0° |
| C2 | N1 | C1 | H8 | 53.9° | 30.0° |
| N2 | N1 | C2 | C3 | 4.7° | 0.1° |
| N1 | N2 | C4 | C3 | 4.1° | 0.0° |
| N1 | N2 | C4 | C5 | 176.7° | 179.9° |
| N2 | N1 | C1 | H6 | 0.0° | 90.3° |
| N2 | N1 | C1 | H7 | 120.0° | 29.7° |
| N2 | N1 | C1 | H8 | 120.0° | 149.7° |
| N2 | N1 | C2 | H9 | 175.3° | 180.0° |
| C2 | C3 | C4 | N2 | 1.5° | 0.0° |
| C2 | C3 | C4 | C19 | 177.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.3° | 180.0° |
| C2 | C3 | C19 | C18 | 2.7° | 0.0° |
| C2 | C3 | C19 | C14 | 175.7° | 180.0° |
| N2 | C4 | C3 | C5 | 179.3° | 179.9° |
| N2 | C4 | C3 | C19 | 178.5° | 180.0° |
| N2 | C4 | C5 | O1 | 0.9° | 0.0° |
| N2 | C4 | C5 | N3 | 178.6° | 179.9° |
| C4 | C3 | C19 | C18 | 178.7° | 180.0° |
| C4 | C3 | C19 | C14 | 0.4° | 0.0° |
| C3 | C4 | C5 | O1 | 178.2° | 180.0° |
| C3 | C4 | C5 | N3 | 2.3° | 0.0° |
| C4 | C3 | C2 | H9 | 178.1° | 180.0° |
| C19 | C3 | C4 | C5 | 2.3° | 0.0° |
| C3 | C19 | C18 | C14 | 178.3° | 180.0° |
| C3 | C19 | C18 | C17 | 178.0° | 179.9° |
| C3 | C19 | C14 | N3 | 2.9° | 0.0° |
| C3 | C19 | C14 | C15 | 178.9° | 180.0° |
| C19 | C3 | C2 | H9 | 5.4° | 0.0° |
| C3 | C19 | C18 | H14 | 2.0° | 0.0° |
| C4 | C5 | O1 | N3 | 179.5° | 180.0° |
| C4 | C5 | N3 | C14 | 0.4° | 0.0° |
| C4 | C5 | N3 | C6 | 169.2° | 180.0° |
| C13 | C12 | C11 | H12 | 109.6° | 107.6° |
| C13 | C12 | C11 | H13 | 109.6° | 107.5° |
| C12 | C13 | C11 | H3 | 109.7° | 107.4° |
| C12 | C13 | C11 | H4 | 109.7° | 107.6° |
| C13 | C12 | C11 | C10 | 110.6° | 107.5° |
| C12 | C13 | H3 | H4 | 144.3° | 145.7° |
| C13 | C12 | C11 | H11 | 105.2° | 107.4° |
| C13 | C12 | H12 | H13 | 144.4° | 145.7° |
| C12 | C11 | C10 | H11 | 144.0° | 145.7° |
| C12 | C11 | C10 | C6 | 87.8° | 171.4° |
| C12 | C11 | C10 | N4 | 91.9° | 8.6° |
| C11 | C12 | H12 | H13 | 144.5° | 145.7° |
| C19 | C18 | C17 | H14 | 180.0° | 179.9° |
| C19 | C18 | C17 | F1 | 178.2° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C18 | C19 | C14 | N3 | 178.7° | 180.0° |
| C18 | C19 | C14 | C15 | 0.5° | 0.0° |
| C17 | C18 | C19 | C14 | 0.3° | 0.1° |
| C18 | C17 | F1 | C16 | 178.4° | 180.0° |
| C18 | C17 | C16 | C15 | 0.7° | 0.0° |
| C18 | C17 | C16 | CL1 | 179.0° | 179.9° |
| C19 | C14 | N3 | C5 | 3.0° | 0.1° |
| C19 | C14 | N3 | C15 | 178.2° | 179.9° |
| C19 | C14 | N3 | C6 | 171.3° | 180.0° |
| C19 | C14 | C15 | C16 | 1.3° | 0.0° |
| C19 | C14 | C15 | H5 | 178.7° | 180.0° |
| C14 | C19 | C18 | H14 | 179.7° | 180.0° |
| C13 | C11 | C10 | H11 | 146.8° | 145.7° |
| C13 | C11 | C10 | C6 | 157.0° | 120.0° |
| C13 | C11 | C10 | N4 | 22.7° | 60.0° |
| C11 | C13 | H3 | H4 | 144.2° | 145.7° |
| O1 | C5 | N3 | C14 | 179.2° | 180.0° |
| O1 | C5 | N3 | C6 | 10.3° | 0.0° |
| C5 | N3 | C14 | C6 | 168.4° | 180.0° |
| C5 | N3 | C14 | C15 | 178.8° | 180.0° |
| C5 | N3 | C6 | C10 | 83.1° | 90.3° |
| C5 | N3 | C6 | C7 | 98.9° | 90.0° |
| C11 | C10 | C6 | N3 | 1.6° | 0.0° |
| C11 | C10 | C6 | N4 | 179.7° | 180.0° |
| C11 | C10 | C6 | C7 | 179.7° | 179.8° |
| C11 | C10 | N4 | C9 | 179.7° | 179.9° |
| C10 | C11 | C13 | H3 | 142.2° | 0.0° |
| C10 | C11 | C13 | H4 | 1.7° | 145.0° |
| C10 | C11 | C12 | H12 | 1.0° | 0.0° |
| C10 | C11 | C12 | H13 | 139.8° | 145.0° |
| F1 | C17 | C16 | C15 | 179.1° | 179.9° |
| F1 | C17 | C16 | CL1 | 0.6° | 0.0° |
| F1 | C17 | C18 | H14 | 1.8° | 0.0° |
| C17 | C16 | C15 | C14 | 1.4° | 0.1° |
| C17 | C16 | C15 | CL1 | 179.6° | 179.9° |
| C17 | C16 | C15 | H5 | 178.6° | 180.0° |
| C16 | C17 | C18 | H14 | 179.8° | 180.0° |
| N3 | C14 | C15 | C16 | 179.6° | 179.9° |
| C14 | N3 | C6 | C10 | 86.3° | 89.7° |
| C14 | N3 | C6 | C7 | 91.7° | 90.0° |
| N3 | C14 | C15 | H5 | 0.4° | 0.0° |
| C15 | C14 | N3 | C6 | 10.4° | 0.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | CL1 | 178.2° | 180.0° |
| N3 | C6 | C10 | C7 | 178.1° | 179.8° |
| N3 | C6 | C10 | N4 | 178.7° | 180.0° |
| N3 | C6 | C7 | C8 | 178.0° | 180.0° |
| N3 | C6 | C7 | H1 | 2.0° | 0.0° |
| CL1 | C16 | C15 | H5 | 1.8° | 0.1° |
| C6 | C10 | N4 | C9 | 0.5° | 0.1° |
| C10 | C6 | C7 | C8 | 0.1° | 0.2° |
| C10 | C6 | C7 | H1 | 179.9° | 179.8° |
| C6 | C10 | C11 | H11 | 56.2° | 25.7° |
| N4 | C10 | C6 | C7 | 0.6° | 0.2° |
| C10 | N4 | C9 | C8 | 0.0° | 0.3° |
| C10 | N4 | C9 | H10 | 180.0° | 180.0° |
| N4 | C10 | C11 | H11 | 124.1° | 154.3° |
| C6 | C7 | C8 | H1 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C6 | C7 | C8 | H2 | 179.6° | 179.9° |
| N4 | C9 | C8 | C7 | 0.5° | 0.3° |
| N4 | C9 | C8 | H10 | 180.0° | 179.7° |
| N4 | C9 | C8 | H2 | 179.5° | 179.7° |
| C7 | C8 | C9 | H2 | 180.0° | 180.0° |
| C7 | C8 | C9 | H10 | 179.5° | 180.0° |
| C9 | C8 | C7 | H1 | 179.6° | 180.0° |
| H1 | C7 | C8 | H2 | 0.4° | 0.0° |
| H2 | C8 | C9 | H10 | 0.5° | 0.1° |
| H3 | C13 | C11 | H11 | 4.7° | 145.1° |
| H3 | C13 | C12 | H12 | 140.7° | 0.0° |
| H3 | C13 | C12 | H13 | 0.1° | 145.0° |
| H4 | C13 | C11 | H11 | 145.3° | 0.1° |
| H4 | C13 | C12 | H12 | 0.1° | 145.0° |
| H4 | C13 | C12 | H13 | 140.7° | 0.0° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 145.2° | 145.0° |
| H11 | C11 | C12 | H13 | 4.4° | 0.0° |
