A1AM8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.45Å | 1.45Å | |
| O | C1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C2 | C1 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | N | doub | 1.32Å | 1.34Å | Aromatic |
| N | C5 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C2 | sing | 1.41Å | 1.42Å | Aromatic |
| N1 | C6 | sing | 1.39Å | 1.38Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 116.2° | 117.0° |
| O | C | H2 | 109.5° | 109.5° |
| O | C | H | 109.4° | 109.5° |
| O | C | H1 | 109.5° | 109.5° |
| O | C1 | O1 | 123.3° | 120.0° |
| O | C1 | C2 | 112.6° | 120.0° |
| O1 | C1 | C2 | 124.1° | 120.0° |
| C1 | C2 | C3 | 120.6° | 121.0° |
| C1 | C2 | C6 | 121.0° | 121.0° |
| C2 | C3 | C4 | 118.2° | 119.1° |
| C3 | C2 | C6 | 118.4° | 118.0° |
| C2 | C3 | H3 | 120.9° | 120.5° |
| C3 | C4 | N | 124.3° | 121.1° |
| C3 | C4 | H4 | 117.9° | 119.4° |
| C4 | C3 | H3 | 120.9° | 120.4° |
| C4 | N | C5 | 117.6° | 122.2° |
| N | C4 | H4 | 117.8° | 119.5° |
| N | C5 | C6 | 123.2° | 120.8° |
| N | C5 | H5 | 118.4° | 119.6° |
| C5 | C6 | C2 | 118.3° | 118.8° |
| C5 | C6 | N1 | 119.0° | 120.6° |
| C6 | C5 | H5 | 118.4° | 119.6° |
| C2 | C6 | N1 | 122.7° | 120.6° |
| C6 | N1 | H6 | 109.5° | 120.0° |
| C6 | N1 | H7 | 109.5° | 120.0° |
| H6 | N1 | H7 | 109.5° | 120.0° |
| H2 | C | H | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | O1 | 62.1° | 0.0° |
| C | O | C1 | C2 | 118.1° | 180.0° |
| O | C | H2 | H | 120.0° | 120.1° |
| O | C | H2 | H1 | 120.0° | 120.0° |
| O | C | H | H1 | 120.0° | 120.0° |
| O | C1 | O1 | C2 | 179.7° | 180.0° |
| O | C1 | C2 | C3 | 27.9° | 5.8° |
| O | C1 | C2 | C6 | 152.4° | 173.5° |
| C1 | O | C | H2 | 180.0° | 60.0° |
| C1 | O | C | H | 60.0° | 60.0° |
| C1 | O | C | H1 | 60.0° | 179.9° |
| O1 | C1 | C2 | C3 | 152.3° | 174.2° |
| O1 | C1 | C2 | C6 | 27.3° | 6.5° |
| C1 | C2 | C3 | C6 | 179.7° | 179.3° |
| C1 | C2 | C3 | C4 | 179.9° | 179.8° |
| C1 | C2 | C6 | C5 | 179.6° | 180.0° |
| C1 | C2 | C6 | N1 | 1.4° | 0.0° |
| C1 | C2 | C3 | H3 | 0.1° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N | 0.5° | 0.0° |
| C3 | C2 | C6 | C5 | 0.8° | 0.7° |
| C3 | C2 | C6 | N1 | 178.3° | 179.3° |
| C2 | C3 | C4 | H4 | 179.5° | 179.7° |
| C3 | C4 | N | H4 | 180.0° | 179.7° |
| C3 | C4 | N | C5 | 0.5° | 0.2° |
| C4 | C3 | C2 | C6 | 0.2° | 0.5° |
| C4 | N | C5 | C6 | 0.2° | 0.1° |
| C4 | N | C5 | H5 | 179.8° | 179.5° |
| N | C4 | C3 | H3 | 179.5° | 180.0° |
| N | C5 | C6 | H5 | 180.0° | 179.4° |
| N | C5 | C6 | C2 | 0.8° | 0.6° |
| N | C5 | C6 | N1 | 178.3° | 179.5° |
| C5 | N | C4 | H4 | 179.5° | 179.9° |
| C5 | C6 | C2 | N1 | 179.0° | 180.0° |
| C5 | C6 | N1 | H6 | 180.0° | 5.5° |
| C5 | C6 | N1 | H7 | 60.0° | 174.4° |
| C2 | C6 | N1 | H6 | 0.9° | 174.6° |
| C2 | C6 | N1 | H7 | 119.0° | 5.6° |
| C2 | C6 | C5 | H5 | 179.2° | 180.0° |
| C6 | C2 | C3 | H3 | 179.8° | 179.5° |
| C6 | N1 | H6 | H7 | 120.0° | 179.8° |
| N1 | C6 | C5 | H5 | 1.7° | 0.1° |
| H4 | C4 | C3 | H3 | 0.5° | 0.3° |
| H2 | C | H | H1 | 120.0° | 120.0° |
