A1AP7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | N | doub | 1.31Å | 1.33Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| N1 | C3 | sing | 1.36Å | 1.35Å | Aromatic |
| C3 | C1 | doub | 1.37Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.48Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | H | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 126.6° | 126.1° |
| C | C1 | C3 | 128.8° | 126.0° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.4° | 109.5° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C2 | N | 111.9° | 108.6° |
| C2 | C1 | C3 | 104.6° | 107.9° |
| C1 | C2 | H4 | 124.0° | 125.7° |
| C2 | N | N1 | 104.8° | 108.5° |
| N | C2 | H4 | 124.0° | 125.7° |
| N | N1 | C3 | 112.6° | 107.7° |
| N | N1 | H | 123.7° | 126.2° |
| N1 | C3 | C1 | 106.1° | 107.3° |
| N1 | C3 | C4 | 122.0° | 126.3° |
| C3 | N1 | H | 123.7° | 126.1° |
| C1 | C3 | C4 | 131.9° | 126.4° |
| C3 | C4 | C5 | 121.0° | 120.9° |
| C3 | C4 | C8 | 120.8° | 120.9° |
| C4 | C5 | C6 | 118.7° | 119.0° |
| C5 | C4 | C8 | 118.1° | 118.2° |
| C4 | C5 | H5 | 120.7° | 120.5° |
| C5 | C6 | N2 | 123.7° | 120.9° |
| C6 | C5 | H5 | 120.6° | 120.5° |
| C5 | C6 | H6 | 118.2° | 119.5° |
| C6 | N2 | C7 | 116.8° | 122.0° |
| N2 | C6 | H6 | 118.1° | 119.6° |
| N2 | C7 | C8 | 123.8° | 120.9° |
| N2 | C7 | H7 | 118.1° | 119.5° |
| C7 | C8 | C4 | 118.8° | 119.0° |
| C8 | C7 | H7 | 118.1° | 119.6° |
| C7 | C8 | H8 | 120.6° | 120.5° |
| C4 | C8 | H8 | 120.6° | 120.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.4° |
| H3 | C | H1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 179.9° | 179.9° |
| C | C1 | C2 | N | 180.0° | 180.0° |
| C | C1 | C3 | N1 | 180.0° | 180.0° |
| C | C1 | C3 | C4 | 0.9° | 0.3° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H1 | 120.0° | 119.9° |
| C1 | C | H3 | H1 | 120.0° | 120.0° |
| C | C1 | C2 | H4 | 0.1° | 0.0° |
| C1 | C2 | N | H4 | 180.0° | 180.0° |
| C1 | C2 | N | N1 | 0.0° | 0.0° |
| C2 | C1 | C3 | N1 | 0.1° | 0.0° |
| C2 | C1 | C3 | C4 | 179.0° | 179.7° |
| C2 | C1 | C | H2 | 90.0° | 90.0° |
| C2 | C1 | C | H3 | 150.0° | 149.9° |
| C2 | C1 | C | H1 | 30.0° | 29.9° |
| C2 | N | N1 | C3 | 0.1° | 0.0° |
| N | C2 | C1 | C3 | 0.0° | 0.0° |
| C2 | N | N1 | H | 179.9° | 179.7° |
| N | N1 | C3 | H | 180.0° | 179.7° |
| N | N1 | C3 | C1 | 0.1° | 0.0° |
| N | N1 | C3 | C4 | 179.1° | 179.7° |
| N1 | N | C2 | H4 | 180.0° | 180.0° |
| N1 | C3 | C1 | C4 | 179.1° | 179.7° |
| N1 | C3 | C4 | C5 | 5.9° | 45.0° |
| N1 | C3 | C4 | C8 | 178.4° | 135.3° |
| C1 | C3 | C4 | C5 | 173.1° | 135.3° |
| C1 | C3 | C4 | C8 | 2.7° | 44.3° |
| C1 | C3 | N1 | H | 179.9° | 179.7° |
| C3 | C1 | C | H2 | 89.9° | 90.1° |
| C3 | C1 | C | H3 | 30.1° | 30.0° |
| C3 | C1 | C | H1 | 150.1° | 150.0° |
| C3 | C1 | C2 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C8 | 175.8° | 179.6° |
| C3 | C4 | C5 | C6 | 174.4° | 180.0° |
| C3 | C4 | C8 | C7 | 173.8° | 180.0° |
| C4 | C3 | N1 | H | 0.9° | 0.0° |
| C3 | C4 | C5 | H5 | 5.6° | 0.1° |
| C3 | C4 | C8 | H8 | 6.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | N2 | 0.1° | 0.0° |
| C5 | C4 | C8 | C7 | 2.0° | 0.3° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C8 | H8 | 178.0° | 179.7° |
| C5 | C6 | N2 | H6 | 180.0° | 179.9° |
| C5 | C6 | N2 | C7 | 0.6° | 0.2° |
| C6 | C5 | C4 | C8 | 1.5° | 0.3° |
| C6 | N2 | C7 | C8 | 0.0° | 0.2° |
| N2 | C6 | C5 | H5 | 179.9° | 179.9° |
| C6 | N2 | C7 | H7 | 180.0° | 179.7° |
| N2 | C7 | C8 | H7 | 180.0° | 179.9° |
| N2 | C7 | C8 | C4 | 1.3° | 0.1° |
| C7 | N2 | C6 | H6 | 179.3° | 179.7° |
| N2 | C7 | C8 | H8 | 178.7° | 180.0° |
| C7 | C8 | C4 | H8 | 180.0° | 180.0° |
| C8 | C4 | C5 | H5 | 178.5° | 179.8° |
| C4 | C8 | C7 | H7 | 178.7° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H7 | C7 | C8 | H8 | 1.3° | 0.0° |
| H2 | C | H3 | H1 | 120.0° | 120.0° |
