A1CWH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | N1 | doub | 1.31Å | 1.31Å | Aromatic |
| N1 | C3 | sing | 1.34Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.34Å | Aromatic |
| C4 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | N2 | sing | 1.36Å | 1.38Å | Aromatic |
| N2 | C5 | sing | 1.40Å | 1.43Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | N3 | sing | 1.40Å | 1.37Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N1 | 125.5° | 125.7° |
| C1 | C2 | N2 | 124.9° | 125.7° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | N1 | C3 | 106.7° | 109.4° |
| N1 | C2 | N2 | 109.7° | 108.6° |
| N1 | C3 | C4 | 110.1° | 108.1° |
| N1 | C3 | H4 | 124.9° | 125.9° |
| C3 | C4 | N2 | 106.0° | 106.9° |
| C4 | C3 | H4 | 125.0° | 125.9° |
| C3 | C4 | H5 | 127.0° | 126.5° |
| C4 | N2 | C2 | 107.6° | 107.1° |
| C4 | N2 | C5 | 124.0° | 126.5° |
| N2 | C4 | H5 | 127.0° | 126.6° |
| C2 | N2 | C5 | 128.4° | 126.5° |
| N2 | C5 | C6 | 120.0° | 120.0° |
| N2 | C5 | C10 | 119.8° | 119.9° |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C6 | C5 | C10 | 120.3° | 120.1° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C6 | C7 | C8 | 120.9° | 120.0° |
| C7 | C6 | H6 | 120.0° | 120.0° |
| C6 | C7 | H7 | 119.5° | 120.0° |
| C7 | C8 | N3 | 120.7° | 120.1° |
| C7 | C8 | C9 | 118.4° | 120.0° |
| C8 | C7 | H7 | 119.6° | 120.0° |
| N3 | C8 | C9 | 120.9° | 120.0° |
| C8 | N3 | H8 | 109.5° | 120.0° |
| C8 | N3 | H9 | 109.5° | 120.0° |
| C8 | C9 | C10 | 120.7° | 120.0° |
| C8 | C9 | H10 | 119.7° | 120.1° |
| C9 | C10 | C5 | 119.9° | 120.0° |
| C9 | C10 | H11 | 120.0° | 120.0° |
| C10 | C9 | H10 | 119.7° | 120.0° |
| C5 | C10 | H11 | 120.1° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H8 | N3 | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N1 | N2 | 179.7° | 179.6° |
| C1 | C2 | N1 | C3 | 179.9° | 180.0° |
| C1 | C2 | N2 | C4 | 179.6° | 180.0° |
| C1 | C2 | N2 | C5 | 1.2° | 0.1° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | N1 | C3 | C4 | 0.1° | 0.2° |
| N1 | C2 | N2 | C4 | 0.7° | 0.3° |
| N1 | C2 | N2 | C5 | 179.1° | 179.8° |
| N1 | C2 | C1 | H1 | 0.0° | 90.1° |
| N1 | C2 | C1 | H2 | 120.0° | 150.0° |
| N1 | C2 | C1 | H3 | 120.0° | 30.0° |
| C2 | N1 | C3 | H4 | 179.9° | 179.8° |
| N1 | C3 | C4 | H4 | 180.0° | 180.0° |
| N1 | C3 | C4 | N2 | 0.5° | 0.0° |
| C3 | N1 | C2 | N2 | 0.4° | 0.3° |
| N1 | C3 | C4 | H5 | 179.5° | 180.0° |
| C3 | C4 | N2 | H5 | 180.0° | 179.9° |
| C3 | C4 | N2 | C2 | 0.7° | 0.2° |
| C3 | C4 | N2 | C5 | 179.2° | 179.9° |
| C4 | N2 | C2 | C5 | 178.4° | 179.9° |
| C4 | N2 | C5 | C6 | 142.8° | 49.9° |
| C4 | N2 | C5 | C10 | 37.2° | 130.1° |
| N2 | C4 | C3 | H4 | 179.5° | 180.0° |
| C2 | N2 | C5 | C6 | 39.0° | 130.0° |
| C2 | N2 | C5 | C10 | 141.0° | 50.1° |
| N2 | C2 | C1 | H1 | 179.7° | 90.3° |
| N2 | C2 | C1 | H2 | 59.7° | 29.6° |
| N2 | C2 | C1 | H3 | 60.3° | 149.6° |
| C2 | N2 | C4 | H5 | 179.3° | 179.8° |
| N2 | C5 | C6 | C10 | 179.9° | 180.0° |
| N2 | C5 | C6 | C7 | 178.9° | 180.0° |
| N2 | C5 | C10 | C9 | 179.5° | 179.8° |
| N2 | C5 | C10 | H11 | 0.5° | 0.0° |
| C5 | N2 | C4 | H5 | 0.8° | 0.1° |
| N2 | C5 | C6 | H6 | 1.1° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.4° | 0.1° |
| C6 | C5 | C10 | C9 | 0.5° | 0.2° |
| C6 | C5 | C10 | H11 | 179.5° | 179.9° |
| C5 | C6 | C7 | H7 | 178.6° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | N3 | 179.1° | 180.0° |
| C6 | C7 | C8 | C9 | 1.1° | 0.2° |
| C7 | C6 | C5 | C10 | 1.1° | 0.1° |
| C7 | C8 | N3 | C9 | 179.8° | 179.8° |
| C7 | C8 | C9 | C10 | 0.5° | 0.4° |
| C8 | C7 | C6 | H6 | 178.6° | 180.0° |
| C7 | C8 | C9 | H10 | 179.5° | 180.0° |
| C7 | C8 | N3 | H8 | 180.0° | 0.1° |
| C7 | C8 | N3 | H9 | 60.0° | 180.0° |
| N3 | C8 | C9 | C10 | 179.7° | 179.7° |
| N3 | C8 | C7 | H7 | 0.9° | 0.0° |
| N3 | C8 | C9 | H10 | 0.3° | 0.2° |
| C8 | N3 | H8 | H9 | 120.0° | 180.0° |
| C8 | C9 | C10 | H10 | 180.0° | 179.6° |
| C8 | C9 | C10 | C5 | 0.2° | 0.5° |
| C8 | C9 | C10 | H11 | 179.8° | 179.8° |
| C9 | C8 | C7 | H7 | 178.9° | 179.8° |
| C9 | C8 | N3 | H8 | 0.2° | 179.8° |
| C9 | C8 | N3 | H9 | 119.8° | 0.2° |
| C9 | C10 | C5 | H11 | 180.0° | 179.7° |
| C10 | C5 | C6 | H6 | 178.9° | 179.9° |
| C5 | C10 | C9 | H10 | 179.8° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H11 | C10 | C9 | H10 | 0.2° | 0.2° |
| H4 | C3 | C4 | H5 | 0.5° | 0.0° |
| H6 | C6 | C7 | H7 | 1.4° | 0.1° |
