U2Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.38Å | Aromatic |
| C14 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C9 | N8 | sing | 1.40Å | 1.40Å | |
| C4 | C5 | sing | 1.51Å | 1.47Å | |
| C4 | N7 | doub | 1.31Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C2 | N8 | sing | 1.35Å | 1.37Å | Aromatic |
| C15 | N16 | sing | 1.47Å | 1.48Å | |
| C5 | O6 | sing | 1.43Å | 1.42Å | |
| N7 | N8 | sing | 1.40Å | 1.34Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 1.01Å | 1.00Å | |
| N16 | H162 | sing | 1.01Å | 1.00Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 120.4° | 120.1° |
| C12 | C11 | C10 | 119.7° | 120.1° |
| C11 | C12 | H12 | 119.8° | 119.9° |
| C12 | C11 | H11 | 120.1° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.1° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C12 | C13 | H13 | 119.9° | 119.9° |
| C11 | C10 | C9 | 119.6° | 119.9° |
| C10 | C11 | H11 | 120.2° | 119.9° |
| C11 | C10 | H10 | 120.2° | 120.0° |
| C13 | C14 | C9 | 118.9° | 119.9° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C10 | C9 | C14 | 121.2° | 119.9° |
| C10 | C9 | N8 | 118.3° | 120.1° |
| C9 | C10 | H10 | 120.2° | 120.1° |
| C4 | C3 | C2 | 105.2° | 108.0° |
| C3 | C4 | C5 | 128.0° | 125.9° |
| C3 | C4 | N7 | 111.8° | 108.2° |
| C4 | C3 | H3 | 127.4° | 126.0° |
| C3 | C2 | C1 | 129.8° | 126.1° |
| C3 | C2 | N8 | 105.5° | 107.7° |
| C2 | C3 | H3 | 127.4° | 126.0° |
| C9 | C14 | C15 | 121.6° | 120.1° |
| C14 | C9 | N8 | 120.5° | 120.0° |
| C14 | C15 | N16 | 111.4° | 109.5° |
| C14 | C15 | H151 | 109.0° | 109.5° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| C9 | N8 | C2 | 126.8° | 126.1° |
| C9 | N8 | N7 | 119.5° | 126.1° |
| C5 | C4 | N7 | 120.1° | 125.9° |
| C4 | C5 | O6 | 111.3° | 109.5° |
| C4 | C5 | H51C | 109.0° | 109.5° |
| C4 | C5 | H52C | 109.0° | 109.4° |
| C4 | N7 | N8 | 104.0° | 108.2° |
| C1 | C2 | N8 | 124.8° | 126.2° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.5° | 109.5° |
| C2 | N8 | N7 | 113.5° | 107.9° |
| N16 | C15 | H151 | 109.0° | 109.5° |
| N16 | C15 | H152 | 109.0° | 109.5° |
| C15 | N16 | H161 | 109.5° | 111.0° |
| C15 | N16 | H162 | 109.5° | 111.0° |
| O6 | C5 | H51C | 109.0° | 109.5° |
| O6 | C5 | H52C | 109.0° | 109.5° |
| C5 | O6 | H6 | 109.5° | 114.0° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.4° |
| H11C | C1 | H12C | 109.4° | 109.5° |
| H11C | C1 | H13C | 109.4° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H161 | N16 | H162 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C12 | C11 | C10 | H10 | 179.8° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C9 | 0.3° | 0.0° |
| C12 | C13 | C14 | C15 | 179.7° | 180.0° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C14 | 0.1° | 0.0° |
| C11 | C10 | C9 | N8 | 179.7° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.7° |
| C13 | C14 | C9 | C10 | 0.1° | 0.0° |
| C13 | C14 | C9 | C15 | 179.5° | 180.0° |
| C13 | C14 | C9 | N8 | 179.9° | 180.0° |
| C13 | C14 | C15 | N16 | 92.5° | 100.0° |
| C14 | C13 | C12 | H12 | 179.7° | 179.7° |
| C13 | C14 | C15 | H151 | 147.3° | 20.0° |
| C13 | C14 | C15 | H152 | 27.9° | 140.0° |
| C10 | C9 | C14 | N8 | 179.9° | 180.0° |
| C10 | C9 | C14 | C15 | 179.5° | 180.0° |
| C10 | C9 | N8 | C2 | 64.2° | 49.4° |
| C10 | C9 | N8 | N7 | 121.6° | 130.5° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | N7 | 179.7° | 179.9° |
| C4 | C3 | C2 | C1 | 179.9° | 180.0° |
| C4 | C3 | C2 | N8 | 0.3° | 0.0° |
| C3 | C4 | C5 | O6 | 68.5° | 0.0° |
| C3 | C4 | N7 | N8 | 0.1° | 0.0° |
| C3 | C4 | C5 | H51C | 171.2° | 120.0° |
| C3 | C4 | C5 | H52C | 51.8° | 120.1° |
| C3 | C2 | N8 | C9 | 174.9° | 180.0° |
| C2 | C3 | C4 | C5 | 179.6° | 179.9° |
| C2 | C3 | C4 | N7 | 0.1° | 0.0° |
| C3 | C2 | C1 | N8 | 179.6° | 180.0° |
| C3 | C2 | N8 | N7 | 0.4° | 0.0° |
| C3 | C2 | C1 | H11C | 89.8° | 95.1° |
| C3 | C2 | C1 | H12C | 150.2° | 144.9° |
| C3 | C2 | C1 | H13C | 30.2° | 24.8° |
| C14 | C9 | N8 | C2 | 115.6° | 130.6° |
| C9 | C14 | C15 | N16 | 87.0° | 80.0° |
| C14 | C9 | N8 | N7 | 58.6° | 49.4° |
| C9 | C14 | C13 | H13 | 179.7° | 180.0° |
| C14 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C14 | C15 | H151 | 33.3° | 160.0° |
| C9 | C14 | C15 | H152 | 152.7° | 40.0° |
| C15 | C14 | C9 | N8 | 0.6° | 0.0° |
| C14 | C15 | N16 | H151 | 120.3° | 120.0° |
| C14 | C15 | N16 | H152 | 120.3° | 120.0° |
| C15 | C14 | C13 | H13 | 0.2° | 0.0° |
| C14 | C15 | H151 | H152 | 119.1° | 120.0° |
| C14 | C15 | N16 | H161 | 180.0° | 56.1° |
| C14 | C15 | N16 | H162 | 60.0° | 180.0° |
| C9 | N8 | N7 | C4 | 175.2° | 180.0° |
| C9 | N8 | C2 | C1 | 5.5° | 0.0° |
| C9 | N8 | C2 | N7 | 174.5° | 180.0° |
| N8 | C9 | C10 | H10 | 0.3° | 0.0° |
| C4 | C5 | O6 | H51C | 120.3° | 120.0° |
| C4 | C5 | O6 | H52C | 120.3° | 120.0° |
| C5 | C4 | N7 | N8 | 179.8° | 179.9° |
| C5 | C4 | C3 | H3 | 0.4° | 0.2° |
| C4 | C5 | H51C | H52C | 119.2° | 119.9° |
| C4 | C5 | O6 | H6 | 180.0° | 180.0° |
| C4 | N7 | N8 | C2 | 0.3° | 0.0° |
| N7 | C4 | C5 | O6 | 111.2° | 180.0° |
| N7 | C4 | C3 | H3 | 179.9° | 179.7° |
| N7 | C4 | C5 | H51C | 9.1° | 59.9° |
| N7 | C4 | C5 | H52C | 128.5° | 60.0° |
| C1 | C2 | N8 | N7 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 0.1° | 0.3° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 119.9° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| N8 | C2 | C3 | H3 | 179.7° | 179.7° |
| N8 | C2 | C1 | H11C | 89.8° | 84.9° |
| N8 | C2 | C1 | H12C | 30.2° | 35.2° |
| N8 | C2 | C1 | H13C | 150.2° | 155.2° |
| N16 | C15 | H151 | H152 | 119.1° | 120.0° |
| C15 | N16 | H161 | H162 | 120.0° | 124.0° |
| O6 | C5 | H51C | H52C | 119.2° | 120.0° |
| H12 | C12 | C11 | H11 | 0.0° | 0.2° |
| H12 | C12 | C13 | H13 | 0.3° | 0.2° |
| H11 | C11 | C10 | H10 | 0.2° | 0.0° |
| H151 | C15 | N16 | H161 | 59.7° | 63.9° |
| H151 | C15 | N16 | H162 | 179.7° | 60.0° |
| H152 | C15 | N16 | H161 | 59.7° | 176.1° |
| H152 | C15 | N16 | H162 | 60.3° | 60.0° |
| H51C | C5 | O6 | H6 | 59.7° | 60.0° |
| H52C | C5 | O6 | H6 | 59.7° | 60.0° |
| H11C | C1 | H12C | H13C | 119.9° | 120.0° |
