A1CVZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C3 | sing | 1.37Å | 1.49Å | Aromatic |
| C3 | C4 | doub | 1.34Å | 1.53Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.51Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N2 | sing | 1.40Å | 1.37Å | |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | O1 | 122.3° | 120.0° |
| C1 | C2 | N1 | 117.5° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| O1 | C2 | N1 | 120.3° | 120.0° |
| C2 | N1 | C3 | 120.9° | 125.1° |
| C2 | N1 | C10 | 128.5° | 125.2° |
| N1 | C3 | C4 | 104.9° | 109.9° |
| C3 | N1 | C10 | 110.5° | 109.7° |
| N1 | C3 | H4 | 127.6° | 125.1° |
| C3 | C4 | C5 | 104.6° | 107.2° |
| C4 | C3 | H4 | 127.6° | 125.0° |
| C3 | C4 | H6 | 127.7° | 126.5° |
| C4 | C5 | C6 | 129.5° | 133.9° |
| C4 | C5 | C10 | 110.4° | 106.2° |
| C5 | C4 | H6 | 127.7° | 126.4° |
| C5 | C6 | C7 | 119.1° | 119.8° |
| C6 | C5 | C10 | 120.1° | 120.0° |
| C5 | C6 | H8 | 120.5° | 120.0° |
| C6 | C7 | C8 | 121.0° | 120.4° |
| C7 | C6 | H8 | 120.4° | 120.1° |
| C6 | C7 | H9 | 119.5° | 119.8° |
| C7 | C8 | C9 | 120.7° | 120.6° |
| C8 | C7 | H9 | 119.5° | 119.8° |
| C7 | C8 | H10 | 119.6° | 119.7° |
| C8 | C9 | N2 | 121.1° | 120.1° |
| C8 | C9 | C10 | 117.6° | 119.8° |
| C9 | C8 | H10 | 119.6° | 119.7° |
| N2 | C9 | C10 | 121.3° | 120.1° |
| C9 | N2 | H11 | 109.5° | 120.0° |
| C9 | N2 | H12 | 109.5° | 120.0° |
| C9 | C10 | N1 | 128.9° | 133.4° |
| C9 | C10 | C5 | 121.5° | 119.5° |
| N1 | C10 | C5 | 109.6° | 107.1° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | N2 | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O1 | N1 | 179.2° | 179.9° |
| C1 | C2 | N1 | C3 | 35.8° | 108.7° |
| C1 | C2 | N1 | C10 | 143.6° | 71.2° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| O1 | C2 | N1 | C3 | 143.5° | 71.4° |
| O1 | C2 | N1 | C10 | 37.2° | 108.7° |
| O1 | C2 | C1 | H1 | 0.0° | 0.0° |
| O1 | C2 | C1 | H2 | 120.0° | 120.0° |
| O1 | C2 | C1 | H3 | 120.0° | 120.1° |
| C2 | N1 | C3 | C10 | 179.5° | 179.9° |
| C2 | N1 | C3 | C4 | 179.7° | 179.7° |
| C2 | N1 | C10 | C9 | 0.1° | 0.4° |
| C2 | N1 | C10 | C5 | 179.8° | 179.9° |
| N1 | C2 | C1 | H1 | 179.2° | 180.0° |
| N1 | C2 | C1 | H2 | 59.2° | 59.9° |
| N1 | C2 | C1 | H3 | 60.8° | 60.0° |
| C2 | N1 | C3 | H4 | 0.2° | 0.1° |
| N1 | C3 | C4 | H4 | 180.0° | 179.6° |
| N1 | C3 | C4 | C5 | 0.8° | 0.4° |
| C3 | N1 | C10 | C9 | 179.3° | 179.7° |
| C3 | N1 | C10 | C5 | 0.4° | 0.0° |
| N1 | C3 | C4 | H6 | 179.2° | 179.6° |
| C3 | C4 | C5 | H6 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.5° | 179.6° |
| C4 | C3 | N1 | C10 | 0.8° | 0.3° |
| C3 | C4 | C5 | C10 | 0.6° | 0.4° |
| C4 | C5 | C6 | C10 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C10 | C9 | 179.9° | 180.0° |
| C4 | C5 | C10 | N1 | 0.1° | 0.2° |
| C5 | C4 | C3 | H4 | 179.2° | 180.0° |
| C4 | C5 | C6 | H8 | 0.1° | 0.1° |
| C5 | C6 | C7 | H8 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | C5 | C10 | C9 | 0.2° | 0.0° |
| C6 | C5 | C10 | N1 | 180.0° | 179.8° |
| C6 | C5 | C4 | H6 | 0.5° | 0.3° |
| C5 | C6 | C7 | H9 | 179.8° | 179.9° |
| C6 | C7 | C8 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.1° |
| C7 | C6 | C5 | C10 | 0.0° | 0.0° |
| C6 | C7 | C8 | H10 | 179.8° | 179.9° |
| C7 | C8 | C9 | H10 | 180.0° | 179.8° |
| C7 | C8 | C9 | N2 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.1° |
| C8 | C7 | C6 | H8 | 179.8° | 180.0° |
| C8 | C9 | N2 | C10 | 179.9° | 179.9° |
| C8 | C9 | C10 | N1 | 179.9° | 179.7° |
| C8 | C9 | C10 | C5 | 0.2° | 0.1° |
| C9 | C8 | C7 | H9 | 179.8° | 179.9° |
| C8 | C9 | N2 | H11 | 180.0° | 8.2° |
| C8 | C9 | N2 | H12 | 60.0° | 171.9° |
| N2 | C9 | C10 | N1 | 0.2° | 0.3° |
| N2 | C9 | C10 | C5 | 179.9° | 180.0° |
| N2 | C9 | C8 | H10 | 0.1° | 0.1° |
| C9 | N2 | H11 | H12 | 120.0° | 179.9° |
| C9 | C10 | N1 | C5 | 179.7° | 179.7° |
| C10 | C9 | C8 | H10 | 180.0° | 179.9° |
| C10 | C9 | N2 | H11 | 0.1° | 171.7° |
| C10 | C9 | N2 | H12 | 120.1° | 8.2° |
| C10 | N1 | C3 | H4 | 179.2° | 179.8° |
| C10 | C5 | C4 | H6 | 179.4° | 179.6° |
| C10 | C5 | C6 | H8 | 180.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | C3 | C4 | H6 | 0.8° | 0.1° |
| H8 | C6 | C7 | H9 | 0.2° | 0.0° |
| H9 | C7 | C8 | H10 | 0.2° | 0.0° |
