A1AM3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.46Å | 1.45Å | |
| N | C1 | sing | 1.35Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.35Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.45Å | Aromatic |
| N1 | C3 | sing | 1.40Å | 1.34Å | |
| C4 | N1 | sing | 1.47Å | 1.45Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | N2 | doub | 1.31Å | 1.36Å | Aromatic |
| N2 | N | sing | 1.40Å | 1.34Å | Aromatic |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 127.2° | 126.0° |
| C | N | N2 | 119.0° | 126.0° |
| N | C | H1 | 109.5° | 109.5° |
| N | C | H | 109.5° | 109.5° |
| N | C | H2 | 109.5° | 109.5° |
| N | C1 | C2 | 106.9° | 107.9° |
| C1 | N | N2 | 113.7° | 108.0° |
| N | C1 | H3 | 126.5° | 126.1° |
| C1 | C2 | C3 | 103.7° | 107.8° |
| C2 | C1 | H3 | 126.6° | 126.0° |
| C1 | C2 | H4 | 128.2° | 126.0° |
| C2 | C3 | N1 | 122.8° | 126.0° |
| C2 | C3 | N2 | 112.7° | 108.1° |
| C3 | C2 | H4 | 128.2° | 126.1° |
| C3 | N1 | C4 | 120.8° | 120.0° |
| N1 | C3 | N2 | 124.6° | 126.0° |
| C3 | N1 | H5 | 106.6° | 120.0° |
| N1 | C4 | C5 | 109.9° | 109.5° |
| C4 | N1 | H5 | 106.6° | 120.0° |
| N1 | C4 | H7 | 109.4° | 109.5° |
| N1 | C4 | H6 | 109.4° | 109.4° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C4 | C5 | C10 | 121.9° | 120.0° |
| C5 | C4 | H7 | 109.4° | 109.5° |
| C5 | C4 | H6 | 109.3° | 109.5° |
| C5 | C6 | C7 | 120.7° | 120.0° |
| C6 | C5 | C10 | 118.7° | 120.0° |
| C5 | C6 | H8 | 119.7° | 120.0° |
| C6 | C7 | C8 | 120.1° | 120.0° |
| C7 | C6 | H8 | 119.6° | 120.0° |
| C6 | C7 | H9 | 120.0° | 120.0° |
| C7 | C8 | C9 | 119.6° | 120.0° |
| C8 | C7 | H9 | 119.9° | 120.0° |
| C7 | C8 | H10 | 120.2° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C9 | C8 | H10 | 120.2° | 120.0° |
| C8 | C9 | H11 | 120.0° | 120.0° |
| C9 | C10 | C5 | 120.9° | 120.1° |
| C9 | C10 | H12 | 119.6° | 120.0° |
| C10 | C9 | H11 | 120.0° | 120.1° |
| C5 | C10 | H12 | 119.5° | 120.0° |
| C3 | N2 | N | 103.0° | 108.2° |
| H7 | C4 | H6 | 109.4° | 109.5° |
| H1 | C | H | 109.5° | 109.5° |
| H1 | C | H2 | 109.4° | 109.4° |
| H | C | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | N2 | 176.1° | 179.7° |
| C | N | C1 | C2 | 173.6° | 179.9° |
| C | N | N2 | C3 | 174.5° | 179.9° |
| N | C | H1 | H | 120.0° | 120.1° |
| N | C | H1 | H2 | 120.0° | 120.0° |
| N | C | H | H2 | 120.0° | 120.0° |
| C | N | C1 | H3 | 6.4° | 0.1° |
| N | C1 | C2 | H3 | 180.0° | 179.9° |
| N | C1 | C2 | C3 | 1.8° | 0.0° |
| C1 | N | N2 | C3 | 1.9° | 0.4° |
| C1 | N | C | H1 | 175.9° | 90.0° |
| C1 | N | C | H | 55.9° | 149.9° |
| C1 | N | C | H2 | 64.1° | 29.9° |
| N | C1 | C2 | H4 | 178.3° | 179.9° |
| C1 | C2 | C3 | H4 | 180.0° | 179.9° |
| C1 | C2 | C3 | N1 | 179.2° | 180.0° |
| C1 | C2 | C3 | N2 | 0.7° | 0.3° |
| C2 | C1 | N | N2 | 2.4° | 0.3° |
| C2 | C3 | N1 | N2 | 179.9° | 179.6° |
| C2 | C3 | N1 | C4 | 5.1° | 0.4° |
| C2 | C3 | N2 | N | 0.7° | 0.4° |
| C2 | C3 | N1 | H5 | 126.7° | 180.0° |
| C3 | C2 | C1 | H3 | 178.2° | 179.9° |
| C3 | N1 | C4 | H5 | 121.6° | 179.7° |
| C3 | N1 | C4 | C5 | 90.0° | 180.0° |
| N1 | C3 | N2 | N | 179.4° | 179.9° |
| C3 | N1 | C4 | H7 | 30.1° | 60.0° |
| C3 | N1 | C4 | H6 | 149.9° | 60.0° |
| N1 | C3 | C2 | H4 | 0.8° | 0.1° |
| N1 | C4 | C5 | H7 | 120.1° | 120.0° |
| N1 | C4 | C5 | H6 | 120.1° | 120.0° |
| N1 | C4 | C5 | C6 | 60.9° | 90.0° |
| N1 | C4 | C5 | C10 | 117.3° | 90.2° |
| C4 | N1 | C3 | N2 | 175.0° | 180.0° |
| N1 | C4 | H7 | H6 | 119.8° | 120.0° |
| C4 | C5 | C6 | C10 | 178.3° | 179.7° |
| C4 | C5 | C6 | C7 | 177.9° | 180.0° |
| C4 | C5 | C10 | C9 | 178.6° | 179.8° |
| C5 | C4 | N1 | H5 | 148.4° | 0.3° |
| C5 | C4 | H7 | H6 | 119.8° | 120.0° |
| C4 | C5 | C6 | H8 | 2.1° | 0.0° |
| C4 | C5 | C10 | H12 | 1.4° | 0.0° |
| C5 | C6 | C7 | H8 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C5 | C10 | C9 | 0.4° | 0.5° |
| C6 | C5 | C4 | H7 | 179.0° | 30.0° |
| C6 | C5 | C4 | H6 | 59.2° | 150.0° |
| C5 | C6 | C7 | H9 | 179.7° | 180.0° |
| C6 | C5 | C10 | H12 | 179.7° | 179.7° |
| C6 | C7 | C8 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C6 | C5 | C10 | 0.4° | 0.3° |
| C6 | C7 | C8 | H10 | 179.4° | 180.0° |
| C7 | C8 | C9 | H10 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.2° | 0.2° |
| C8 | C7 | C6 | H8 | 179.7° | 180.0° |
| C7 | C8 | C9 | H11 | 178.8° | 180.0° |
| C8 | C9 | C10 | H11 | 180.0° | 179.8° |
| C8 | C9 | C10 | C5 | 1.2° | 0.4° |
| C9 | C8 | C7 | H9 | 179.5° | 180.0° |
| C8 | C9 | C10 | H12 | 178.8° | 179.8° |
| C9 | C10 | C5 | H12 | 180.0° | 179.8° |
| C10 | C9 | C8 | H10 | 178.7° | 179.8° |
| C10 | C5 | C4 | H7 | 2.8° | 149.7° |
| C10 | C5 | C4 | H6 | 122.6° | 29.7° |
| C10 | C5 | C6 | H8 | 179.6° | 179.7° |
| C5 | C10 | C9 | H11 | 178.8° | 179.7° |
| N2 | C3 | N1 | H5 | 53.4° | 0.3° |
| N2 | C3 | C2 | H4 | 179.3° | 179.8° |
| N2 | N | C | H1 | 0.0° | 90.4° |
| N2 | N | C | H | 120.0° | 29.7° |
| N2 | N | C | H2 | 120.0° | 149.7° |
| N2 | N | C1 | H3 | 177.6° | 179.8° |
| H5 | N1 | C4 | H7 | 91.5° | 119.7° |
| H5 | N1 | C4 | H6 | 28.3° | 120.3° |
| H8 | C6 | C7 | H9 | 0.3° | 0.0° |
| H9 | C7 | C8 | H10 | 0.6° | 0.0° |
| H10 | C8 | C9 | H11 | 1.3° | 0.0° |
| H12 | C10 | C9 | H11 | 1.2° | 0.1° |
| H1 | C | H | H2 | 120.0° | 119.9° |
| H3 | C1 | C2 | H4 | 1.7° | 0.0° |
