A1A38
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.46Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| C1 | O | doub | 1.21Å | 1.20Å | |
| C2 | C1 | sing | 1.51Å | 1.47Å | |
| C3 | N | sing | 1.40Å | 1.44Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C7 | sing | 1.32Å | 1.33Å | Aromatic |
| C7 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 118.4° | 120.1° |
| C | N | C3 | 121.4° | 120.0° |
| N | C | H1 | 109.5° | 109.4° |
| N | C | H2 | 109.4° | 109.5° |
| N | C | H | 109.4° | 109.4° |
| N | C1 | O | 119.1° | 120.0° |
| N | C1 | C2 | 116.5° | 120.0° |
| C1 | N | C3 | 119.9° | 120.0° |
| O | C1 | C2 | 124.4° | 120.0° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| N | C3 | C4 | 120.2° | 120.5° |
| N | C3 | C7 | 121.7° | 120.5° |
| C3 | C4 | C5 | 119.3° | 118.4° |
| C4 | C3 | C7 | 118.1° | 119.0° |
| C3 | C4 | H6 | 120.4° | 120.8° |
| C4 | C5 | C6 | 118.3° | 119.2° |
| C5 | C4 | H6 | 120.4° | 120.8° |
| C4 | C5 | H7 | 120.8° | 120.4° |
| C5 | C6 | N1 | 123.3° | 120.9° |
| C6 | C5 | H7 | 120.8° | 120.4° |
| C5 | C6 | H8 | 118.4° | 119.5° |
| C6 | N1 | C7 | 117.9° | 121.8° |
| N1 | C6 | H8 | 118.3° | 119.5° |
| N1 | C7 | C3 | 123.1° | 120.7° |
| N1 | C7 | H9 | 118.5° | 119.6° |
| C3 | C7 | H9 | 118.5° | 119.7° |
| H4 | C2 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H3 | C2 | H5 | 109.4° | 109.4° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H | 109.5° | 109.5° |
| H2 | C | H | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | C3 | 174.3° | 180.0° |
| C | N | C1 | O | 179.4° | 174.7° |
| C | N | C1 | C2 | 1.0° | 5.3° |
| C | N | C3 | C4 | 120.0° | 113.0° |
| C | N | C3 | C7 | 58.2° | 67.1° |
| N | C | H1 | H2 | 120.0° | 120.0° |
| N | C | H1 | H | 120.0° | 119.9° |
| N | C | H2 | H | 120.0° | 120.0° |
| N | C1 | O | C2 | 178.3° | 180.0° |
| C1 | N | C3 | C4 | 54.1° | 67.0° |
| C1 | N | C3 | C7 | 127.7° | 113.0° |
| N | C1 | C2 | H4 | 178.3° | 180.0° |
| N | C1 | C2 | H3 | 58.3° | 60.0° |
| N | C1 | C2 | H5 | 61.7° | 60.0° |
| C1 | N | C | H1 | 180.0° | 90.0° |
| C1 | N | C | H2 | 60.0° | 150.0° |
| C1 | N | C | H | 60.0° | 30.0° |
| O | C1 | N | C3 | 5.1° | 5.3° |
| O | C1 | C2 | H4 | 0.0° | 0.0° |
| O | C1 | C2 | H3 | 120.0° | 120.0° |
| O | C1 | C2 | H5 | 120.0° | 120.0° |
| C2 | C1 | N | C3 | 173.3° | 174.7° |
| C1 | C2 | H4 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 120.0° | 120.0° |
| C1 | C2 | H3 | H5 | 120.0° | 120.0° |
| N | C3 | C4 | C7 | 178.3° | 180.0° |
| N | C3 | C4 | C5 | 177.6° | 180.0° |
| N | C3 | C7 | N1 | 178.2° | 179.9° |
| N | C3 | C4 | H6 | 2.4° | 0.0° |
| N | C3 | C7 | H9 | 1.8° | 0.1° |
| C3 | N | C | H1 | 5.8° | 90.0° |
| C3 | N | C | H2 | 125.8° | 30.0° |
| C3 | N | C | H | 114.2° | 150.0° |
| C3 | C4 | C5 | H6 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C3 | C7 | N1 | 0.1° | 0.1° |
| C3 | C4 | C5 | H7 | 179.7° | 180.0° |
| C4 | C3 | C7 | H9 | 179.9° | 180.0° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.5° | 0.0° |
| C5 | C4 | C3 | C7 | 0.7° | 0.1° |
| C4 | C5 | C6 | H8 | 179.5° | 180.0° |
| C5 | C6 | N1 | H8 | 180.0° | 180.0° |
| C5 | C6 | N1 | C7 | 1.1° | 0.0° |
| C6 | C5 | C4 | H6 | 179.6° | 180.0° |
| C6 | N1 | C7 | C3 | 0.8° | 0.1° |
| N1 | C6 | C5 | H7 | 179.5° | 180.0° |
| C6 | N1 | C7 | H9 | 179.2° | 179.9° |
| N1 | C7 | C3 | H9 | 180.0° | 179.9° |
| C7 | N1 | C6 | H8 | 178.9° | 180.0° |
| C7 | C3 | C4 | H6 | 179.3° | 180.0° |
| H6 | C4 | C5 | H7 | 0.4° | 0.1° |
| H7 | C5 | C6 | H8 | 0.5° | 0.0° |
| H4 | C2 | H3 | H5 | 120.0° | 119.9° |
| H1 | C | H2 | H | 120.0° | 120.1° |
