A1AP3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | N | doub | 1.31Å | 1.29Å | Aromatic |
| N | C3 | sing | 1.35Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C6 | C7 | sing | 1.40Å | 1.40Å | |
| C7 | C8 | doub | 1.36Å | 1.36Å | |
| C8 | C9 | sing | 1.41Å | 1.43Å | |
| N1 | C9 | sing | 1.35Å | 1.40Å | |
| C9 | O | doub | 1.22Å | 1.23Å | |
| N2 | C3 | doub | 1.30Å | 1.30Å | Aromatic |
| O1 | N2 | sing | 1.21Å | 1.41Å | Aromatic |
| C2 | O1 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | 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 | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 116.7° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H | 109.4° | 109.4° |
| C1 | C | H1 | 109.5° | 109.5° |
| C | C1 | H3 | 107.6° | 109.4° |
| C | C1 | H4 | 107.6° | 109.4° |
| C1 | C2 | N | 127.8° | 126.6° |
| C1 | C2 | O1 | 118.7° | 126.5° |
| C2 | C1 | H3 | 107.6° | 109.5° |
| C2 | C1 | H4 | 107.6° | 109.5° |
| C2 | N | C3 | 102.6° | 105.6° |
| N | C2 | O1 | 113.5° | 106.9° |
| N | C3 | C4 | 120.7° | 126.3° |
| N | C3 | N2 | 114.8° | 107.4° |
| C3 | C4 | N1 | 118.8° | 109.5° |
| C4 | C3 | N2 | 124.5° | 126.3° |
| C3 | C4 | H6 | 107.1° | 109.5° |
| C3 | C4 | H5 | 107.1° | 109.5° |
| C4 | N1 | C5 | 119.2° | 119.7° |
| C4 | N1 | C9 | 118.5° | 119.6° |
| N1 | C4 | H6 | 107.1° | 109.5° |
| N1 | C4 | H5 | 107.1° | 109.4° |
| N1 | C5 | C6 | 121.3° | 120.7° |
| C5 | N1 | C9 | 122.0° | 120.7° |
| N1 | C5 | H7 | 119.3° | 119.6° |
| C5 | C6 | C7 | 119.3° | 120.0° |
| C6 | C5 | H7 | 119.4° | 119.7° |
| C5 | C6 | H8 | 120.4° | 120.0° |
| C6 | C7 | C8 | 120.3° | 119.3° |
| C7 | C6 | H8 | 120.4° | 120.1° |
| C6 | C7 | H9 | 119.8° | 120.3° |
| C7 | C8 | C9 | 121.6° | 119.2° |
| C8 | C7 | H9 | 119.9° | 120.3° |
| C7 | C8 | H10 | 119.2° | 120.4° |
| C8 | C9 | N1 | 115.6° | 120.1° |
| C8 | C9 | O | 124.3° | 119.9° |
| C9 | C8 | H10 | 119.2° | 120.4° |
| N1 | C9 | O | 120.0° | 120.0° |
| C3 | N2 | O1 | 103.1° | 110.2° |
| N2 | O1 | C2 | 105.9° | 109.8° |
| H6 | C4 | H5 | 109.4° | 109.5° |
| H2 | C | H | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H3 | 121.1° | 119.9° |
| C | C1 | C2 | H4 | 121.0° | 120.0° |
| C | C1 | C2 | N | 131.1° | 90.0° |
| C | C1 | C2 | O1 | 50.7° | 90.0° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C | C1 | H3 | H4 | 116.7° | 119.9° |
| C1 | C2 | N | O1 | 178.3° | 180.0° |
| C1 | C2 | N | C3 | 178.0° | 180.0° |
| C1 | C2 | O1 | N2 | 178.4° | 180.0° |
| C2 | C1 | C | H2 | 180.0° | 180.0° |
| C2 | C1 | C | H | 60.0° | 60.0° |
| C2 | C1 | C | H1 | 60.0° | 60.0° |
| C2 | C1 | H3 | H4 | 116.7° | 120.1° |
| C2 | N | C3 | C4 | 178.9° | 180.0° |
| C2 | N | C3 | N2 | 0.6° | 0.0° |
| N | C2 | O1 | N2 | 0.1° | 0.0° |
| N | C2 | C1 | H3 | 10.0° | 30.0° |
| N | C2 | C1 | H4 | 107.9° | 150.0° |
| N | C3 | C4 | N2 | 179.5° | 179.9° |
| N | C3 | C4 | N1 | 29.7° | 90.1° |
| N | C3 | N2 | O1 | 0.6° | 0.0° |
| C3 | N | C2 | O1 | 0.4° | 0.0° |
| N | C3 | C4 | H6 | 151.0° | 30.0° |
| N | C3 | C4 | H5 | 91.7° | 150.0° |
| C3 | C4 | N1 | H6 | 121.3° | 120.0° |
| C3 | C4 | N1 | H5 | 121.3° | 120.0° |
| C3 | C4 | N1 | C5 | 92.8° | 90.0° |
| C3 | C4 | N1 | C9 | 93.3° | 90.3° |
| C4 | C3 | N2 | O1 | 178.9° | 180.0° |
| C3 | C4 | H6 | H5 | 115.8° | 120.0° |
| C4 | N1 | C5 | C9 | 173.7° | 179.8° |
| C4 | N1 | C5 | C6 | 171.6° | 179.8° |
| C4 | N1 | C9 | C8 | 173.1° | 179.7° |
| C4 | N1 | C9 | O | 2.8° | 0.2° |
| N1 | C4 | C3 | N2 | 149.8° | 90.0° |
| N1 | C4 | H6 | H5 | 115.8° | 119.9° |
| C4 | N1 | C5 | H7 | 8.4° | 0.2° |
| N1 | C5 | C6 | H7 | 180.0° | 180.0° |
| N1 | C5 | C6 | C7 | 1.7° | 0.0° |
| C5 | N1 | C9 | C8 | 0.6° | 0.1° |
| C5 | N1 | C9 | O | 176.5° | 180.0° |
| C5 | N1 | C4 | H6 | 28.5° | 150.0° |
| C5 | N1 | C4 | H5 | 145.8° | 30.0° |
| N1 | C5 | C6 | H8 | 178.3° | 180.0° |
| C5 | C6 | C7 | H8 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | C5 | N1 | C9 | 2.1° | 0.0° |
| C5 | C6 | C7 | H9 | 179.8° | 180.0° |
| C6 | C7 | C8 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.7° | 0.1° |
| C7 | C6 | C5 | H7 | 178.3° | 180.0° |
| C6 | C7 | C8 | H10 | 178.3° | 179.9° |
| C7 | C8 | C9 | H10 | 180.0° | 179.9° |
| C7 | C8 | C9 | N1 | 1.3° | 0.1° |
| C7 | C8 | C9 | O | 174.5° | 180.0° |
| C8 | C7 | C6 | H8 | 179.8° | 180.0° |
| C8 | C9 | N1 | O | 175.9° | 179.9° |
| C9 | C8 | C7 | H9 | 178.3° | 179.9° |
| C9 | N1 | C4 | H6 | 145.4° | 29.8° |
| C9 | N1 | C4 | H5 | 28.1° | 149.7° |
| C9 | N1 | C5 | H7 | 177.9° | 180.0° |
| N1 | C9 | C8 | H10 | 178.7° | 180.0° |
| O | C9 | C8 | H10 | 5.5° | 0.1° |
| C3 | N2 | O1 | C2 | 0.3° | 0.0° |
| N2 | C3 | C4 | H6 | 28.5° | 150.0° |
| N2 | C3 | C4 | H5 | 88.8° | 29.9° |
| O1 | C2 | C1 | H3 | 171.7° | 150.1° |
| O1 | C2 | C1 | H4 | 70.4° | 30.0° |
| H7 | C5 | C6 | H8 | 1.6° | 0.0° |
| H8 | C6 | C7 | H9 | 0.3° | 0.0° |
| H9 | C7 | C8 | H10 | 1.7° | 0.1° |
| H2 | C | H | H1 | 120.0° | 120.0° |
| H2 | C | C1 | H3 | 58.9° | 60.0° |
| H2 | C | C1 | H4 | 59.0° | 60.0° |
| H | C | C1 | H3 | 61.1° | 60.0° |
| H | C | C1 | H4 | 179.0° | 180.0° |
| H1 | C | C1 | H3 | 179.0° | 180.0° |
| H1 | C | C1 | H4 | 61.1° | 60.1° |
