YU7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C10 | sing | 1.74Å | 1.80Å | |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C3 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | C11 | sing | 1.36Å | 1.35Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C2 | sing | 1.47Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.41Å | |
| C2 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| N1 | O2 | sing | 1.42Å | 1.39Å | |
| C13 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C10 | C9 | 119.1° | 120.0° |
| CL | C10 | C5 | 120.3° | 120.0° |
| C9 | C10 | C5 | 120.6° | 120.0° |
| C10 | C9 | C8 | 120.0° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C10 | C5 | C6 | 119.2° | 120.0° |
| C10 | C5 | C4 | 119.5° | 120.0° |
| C9 | C8 | C7 | 119.7° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C9 | C8 | H8 | 120.2° | 120.0° |
| C8 | C7 | C6 | 120.4° | 120.0° |
| C7 | C8 | H8 | 120.2° | 119.9° |
| C8 | C7 | H7 | 119.8° | 120.1° |
| C7 | C6 | C5 | 120.2° | 120.0° |
| C6 | C7 | H7 | 119.8° | 120.0° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C5 | C4 | 121.3° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C5 | C4 | N2 | 114.9° | 109.4° |
| C5 | C4 | H41C | 108.1° | 109.5° |
| C5 | C4 | H42C | 108.1° | 109.5° |
| C4 | N2 | C3 | 124.1° | 124.7° |
| C4 | N2 | C11 | 127.3° | 124.7° |
| N2 | C4 | H41C | 108.1° | 109.4° |
| N2 | C4 | H42C | 108.1° | 109.5° |
| C3 | N2 | C11 | 108.6° | 110.6° |
| N2 | C3 | C2 | 108.0° | 108.7° |
| N2 | C3 | H3 | 126.0° | 125.7° |
| N2 | C11 | C12 | 110.3° | 108.6° |
| N2 | C11 | H11 | 124.8° | 125.7° |
| C3 | C2 | C12 | 108.9° | 106.0° |
| C3 | C2 | C1 | 128.4° | 127.0° |
| C2 | C3 | H3 | 126.0° | 125.6° |
| C11 | C12 | C2 | 104.2° | 106.1° |
| C11 | C12 | C13 | 126.8° | 127.0° |
| C12 | C11 | H11 | 124.9° | 125.7° |
| C2 | C12 | C13 | 129.0° | 127.0° |
| C12 | C2 | C1 | 122.7° | 127.0° |
| C12 | C13 | C18 | 122.0° | 120.2° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C2 | C1 | N1 | 115.0° | 120.0° |
| C2 | C1 | O1 | 120.7° | 120.0° |
| N1 | C1 | O1 | 124.3° | 120.0° |
| C1 | N1 | O2 | 123.2° | 120.0° |
| C1 | N1 | H1 | 118.4° | 120.0° |
| N1 | O2 | H2 | 109.5° | 114.0° |
| O2 | N1 | H1 | 118.4° | 120.0° |
| C18 | C13 | C14 | 118.0° | 119.7° |
| C13 | C18 | C17 | 121.8° | 119.9° |
| C13 | C18 | H18 | 119.1° | 120.0° |
| C13 | C14 | C15 | 120.5° | 119.9° |
| C13 | C14 | H14 | 119.8° | 120.1° |
| C18 | C17 | C16 | 119.5° | 120.1° |
| C17 | C18 | H18 | 119.1° | 120.0° |
| C18 | C17 | H17 | 120.2° | 120.0° |
| C17 | C16 | C15 | 119.3° | 120.2° |
| C16 | C17 | H17 | 120.2° | 119.9° |
| C17 | C16 | H16 | 120.3° | 119.9° |
| C16 | C15 | C14 | 120.8° | 120.1° |
| C15 | C16 | H16 | 120.3° | 119.9° |
| C16 | C15 | H15 | 119.6° | 120.0° |
| C15 | C14 | H14 | 119.8° | 120.1° |
| C14 | C15 | H15 | 119.6° | 119.9° |
| H41C | C4 | H42C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C10 | C9 | C5 | 179.5° | 179.7° |
| CL | C10 | C9 | C8 | 180.0° | 180.0° |
| CL | C10 | C5 | C6 | 179.7° | 179.7° |
| CL | C10 | C5 | C4 | 0.8° | 0.1° |
| CL | C10 | C9 | H9 | 0.0° | 0.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C10 | C5 | C6 | 0.8° | 0.5° |
| C9 | C10 | C5 | C4 | 179.6° | 179.7° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| C5 | C10 | C9 | C8 | 0.5° | 0.2° |
| C10 | C5 | C6 | C7 | 0.6° | 0.6° |
| C10 | C5 | C6 | C4 | 178.8° | 179.8° |
| C10 | C5 | C4 | N2 | 142.3° | 85.1° |
| C5 | C10 | C9 | H9 | 179.6° | 179.8° |
| C10 | C5 | C6 | H6 | 179.4° | 179.7° |
| C10 | C5 | C4 | H41C | 21.5° | 155.0° |
| C10 | C5 | C4 | H42C | 96.9° | 35.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.0° |
| C9 | C8 | C7 | H7 | 179.8° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.3° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.7° |
| C7 | C6 | C5 | C4 | 179.4° | 179.7° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C6 | C5 | C4 | N2 | 38.8° | 94.7° |
| C5 | C6 | C7 | H7 | 179.9° | 179.7° |
| C6 | C5 | C4 | H41C | 159.7° | 25.2° |
| C6 | C5 | C4 | H42C | 81.9° | 145.3° |
| C5 | C4 | N2 | H41C | 120.8° | 120.0° |
| C5 | C4 | N2 | H42C | 120.8° | 120.0° |
| C5 | C4 | N2 | C3 | 136.0° | 90.0° |
| C5 | C4 | N2 | C11 | 44.8° | 90.3° |
| C4 | C5 | C6 | H6 | 0.6° | 0.0° |
| C5 | C4 | H41C | H42C | 117.5° | 120.0° |
| C4 | N2 | C3 | C11 | 179.3° | 179.8° |
| C4 | N2 | C3 | C2 | 179.2° | 180.0° |
| C4 | N2 | C11 | C12 | 179.6° | 180.0° |
| N2 | C4 | H41C | H42C | 117.5° | 120.0° |
| C4 | N2 | C3 | H3 | 0.8° | 0.1° |
| C4 | N2 | C11 | H11 | 0.4° | 0.0° |
| N2 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | N2 | C11 | C12 | 0.4° | 0.2° |
| N2 | C3 | C2 | C12 | 0.4° | 0.1° |
| N2 | C3 | C2 | C1 | 178.8° | 180.0° |
| C3 | N2 | C4 | H41C | 103.2° | 30.0° |
| C3 | N2 | C4 | H42C | 15.2° | 150.0° |
| C3 | N2 | C11 | H11 | 179.7° | 179.8° |
| C11 | N2 | C3 | C2 | 0.0° | 0.2° |
| N2 | C11 | C12 | H11 | 180.0° | 180.0° |
| N2 | C11 | C12 | C2 | 0.6° | 0.1° |
| N2 | C11 | C12 | C13 | 179.6° | 180.0° |
| C11 | N2 | C4 | H41C | 76.0° | 149.8° |
| C11 | N2 | C4 | H42C | 165.6° | 29.8° |
| C11 | N2 | C3 | H3 | 179.9° | 179.8° |
| C3 | C2 | C12 | C11 | 0.6° | 0.0° |
| C3 | C2 | C12 | C1 | 178.5° | 179.9° |
| C3 | C2 | C12 | C13 | 179.6° | 179.9° |
| C3 | C2 | C1 | N1 | 74.1° | 0.0° |
| C3 | C2 | C1 | O1 | 106.3° | 180.0° |
| C11 | C12 | C2 | C13 | 179.8° | 179.9° |
| C11 | C12 | C2 | C1 | 179.1° | 179.9° |
| C11 | C12 | C13 | C18 | 180.0° | 50.0° |
| C11 | C12 | C13 | C14 | 0.2° | 129.8° |
| C12 | C2 | C1 | N1 | 104.1° | 179.8° |
| C12 | C2 | C1 | O1 | 75.5° | 0.2° |
| C2 | C12 | C13 | C18 | 0.3° | 129.8° |
| C2 | C12 | C13 | C14 | 179.9° | 50.4° |
| C12 | C2 | C3 | H3 | 179.5° | 179.9° |
| C2 | C12 | C11 | H11 | 179.4° | 179.9° |
| C13 | C12 | C2 | C1 | 1.1° | 0.0° |
| C12 | C13 | C18 | C14 | 179.8° | 179.8° |
| C12 | C13 | C18 | C17 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 179.8° | 179.7° |
| C13 | C12 | C11 | H11 | 0.4° | 0.0° |
| C12 | C13 | C18 | H18 | 0.0° | 0.0° |
| C12 | C13 | C14 | H14 | 0.2° | 0.0° |
| C2 | C1 | N1 | O1 | 179.6° | 180.0° |
| C2 | C1 | N1 | O2 | 157.6° | 180.0° |
| C1 | C2 | C3 | H3 | 1.1° | 0.0° |
| C2 | C1 | N1 | H1 | 22.4° | 0.0° |
| C1 | N1 | O2 | H1 | 180.0° | 180.0° |
| C1 | N1 | O2 | H2 | 10.1° | 180.0° |
| O1 | C1 | N1 | O2 | 22.8° | 0.0° |
| O1 | C1 | N1 | H1 | 157.2° | 180.0° |
| C13 | C18 | C17 | H18 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C13 | C14 | C15 | 0.0° | 0.5° |
| C18 | C13 | C14 | H14 | 180.0° | 179.7° |
| C13 | C18 | C17 | H17 | 179.9° | 180.0° |
| C14 | C13 | C18 | C17 | 0.2° | 0.2° |
| C13 | C14 | C15 | C16 | 0.3° | 0.5° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C14 | C13 | C18 | H18 | 179.8° | 179.8° |
| C13 | C14 | C15 | H15 | 179.7° | 179.8° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H16 | 179.8° | 179.9° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.5° | 0.3° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C16 | C15 | H15 | 179.5° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.7° |
| C16 | C15 | C14 | H14 | 179.7° | 179.7° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C14 | C15 | C16 | H16 | 179.5° | 179.8° |
| H2 | O2 | N1 | H1 | 169.9° | 0.1° |
| H9 | C9 | C8 | H8 | 0.1° | 0.0° |
| H8 | C8 | C7 | H7 | 0.3° | 0.0° |
| H7 | C7 | C6 | H6 | 0.1° | 0.0° |
| H18 | C18 | C17 | H17 | 0.1° | 0.0° |
| H14 | C14 | C15 | H15 | 0.3° | 0.0° |
| H17 | C17 | C16 | H16 | 0.2° | 0.1° |
| H16 | C16 | C15 | H15 | 0.5° | 0.1° |
