A1PR0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| N2 | C4 | sing | 1.35Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.46Å | 1.45Å | |
| N3 | N4 | doub | 1.29Å | 1.33Å | Aromatic |
| C4 | N8 | doub | 1.31Å | 1.34Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| N4 | N8 | sing | 1.29Å | 1.34Å | Aromatic |
| C1 | C5 | sing | 1.48Å | 1.49Å | |
| C5 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | N5 | sing | 1.33Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.46Å | 1.44Å | Aromatic |
| C9 | C8 | doub | 1.34Å | 1.37Å | Aromatic |
| C10 | C7 | sing | 1.42Å | 1.41Å | Aromatic |
| N5 | C6 | doub | 1.32Å | 1.32Å | Aromatic |
| C8 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C7 | N6 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | N2 | C4 | 104.0° | 107.1° |
| N2 | N3 | N4 | 109.5° | 108.8° |
| N3 | N2 | H10 | 128.0° | 126.5° |
| N2 | C4 | C3 | 122.0° | 126.6° |
| N2 | C4 | N8 | 112.9° | 106.7° |
| C4 | N2 | H10 | 128.0° | 126.4° |
| C2 | C3 | C4 | 113.3° | 109.5° |
| C3 | C2 | N1 | 109.6° | 109.5° |
| C3 | C2 | H3 | 109.4° | 109.5° |
| C3 | C2 | H2 | 109.4° | 109.5° |
| C2 | C3 | H4 | 108.5° | 109.5° |
| C2 | C3 | H5 | 108.5° | 109.5° |
| C3 | C4 | N8 | 125.1° | 126.7° |
| C4 | C3 | H4 | 108.5° | 109.5° |
| C4 | C3 | H5 | 108.5° | 109.4° |
| C2 | N1 | C1 | 125.9° | 120.0° |
| N1 | C2 | H3 | 109.4° | 109.5° |
| N1 | C2 | H2 | 109.4° | 109.4° |
| C2 | N1 | H1 | 117.0° | 120.0° |
| N3 | N4 | N8 | 109.6° | 109.4° |
| C4 | N8 | N4 | 104.0° | 108.0° |
| O1 | C1 | N1 | 124.8° | 119.9° |
| O1 | C1 | C5 | 121.6° | 120.1° |
| N1 | C1 | C5 | 113.6° | 120.0° |
| C1 | N1 | H1 | 117.1° | 120.0° |
| C1 | C5 | C10 | 122.9° | 120.9° |
| C1 | C5 | N5 | 117.3° | 120.9° |
| C10 | C5 | N5 | 119.8° | 118.2° |
| C5 | C10 | C9 | 138.2° | 135.3° |
| C5 | C10 | C7 | 115.1° | 118.6° |
| C5 | N5 | C6 | 118.2° | 121.1° |
| C10 | C9 | C8 | 106.8° | 106.9° |
| C9 | C10 | C7 | 106.7° | 106.1° |
| C10 | C9 | H9 | 126.6° | 126.5° |
| C9 | C8 | N7 | 109.4° | 110.0° |
| C9 | C8 | H8 | 125.3° | 125.0° |
| C8 | C9 | H9 | 126.6° | 126.6° |
| C10 | C7 | N7 | 108.1° | 107.0° |
| C10 | C7 | N6 | 125.7° | 118.5° |
| N5 | C6 | N6 | 128.5° | 122.9° |
| N5 | C6 | H6 | 115.7° | 118.6° |
| C8 | N7 | C7 | 109.1° | 110.0° |
| N7 | C8 | H8 | 125.3° | 125.0° |
| C8 | N7 | H7 | 125.5° | 125.0° |
| N7 | C7 | N6 | 126.3° | 134.5° |
| C7 | N7 | H7 | 125.5° | 125.0° |
| C7 | N6 | C6 | 112.7° | 120.8° |
| N6 | C6 | H6 | 115.7° | 118.6° |
| H3 | C2 | H2 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | N2 | C4 | H10 | 180.0° | 179.9° |
| N3 | N2 | C4 | C3 | 180.0° | 180.0° |
| N3 | N2 | C4 | N8 | 1.0° | 0.2° |
| N2 | N3 | N4 | N8 | 0.3° | 0.2° |
| N2 | C4 | C3 | C2 | 90.6° | 125.3° |
| N2 | C4 | C3 | N8 | 178.8° | 179.7° |
| C4 | N2 | N3 | N4 | 0.5° | 0.0° |
| N2 | C4 | N8 | N4 | 1.2° | 0.4° |
| N2 | C4 | C3 | H4 | 29.9° | 5.3° |
| N2 | C4 | C3 | H5 | 148.8° | 114.7° |
| C2 | C3 | C4 | H4 | 120.6° | 120.0° |
| C2 | C3 | C4 | H5 | 120.5° | 120.0° |
| C3 | C2 | N1 | H3 | 120.0° | 120.0° |
| C3 | C2 | N1 | H2 | 120.0° | 120.0° |
| C2 | C3 | C4 | N8 | 90.6° | 55.0° |
| C3 | C2 | N1 | C1 | 120.7° | 180.0° |
| C3 | C2 | H3 | H2 | 119.9° | 120.0° |
| C2 | C3 | H4 | H5 | 118.2° | 120.0° |
| C3 | C2 | N1 | H1 | 59.4° | 0.0° |
| C4 | C3 | C2 | N1 | 52.5° | 180.0° |
| C3 | C4 | N8 | N4 | 179.9° | 179.9° |
| C4 | C3 | C2 | H3 | 172.5° | 60.0° |
| C4 | C3 | C2 | H2 | 67.5° | 60.0° |
| C4 | C3 | H4 | H5 | 118.3° | 120.0° |
| C3 | C4 | N2 | H10 | 0.0° | 0.1° |
| C2 | N1 | C1 | O1 | 3.9° | 0.3° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | C5 | 175.2° | 179.9° |
| N1 | C2 | H3 | H2 | 119.9° | 119.9° |
| N1 | C2 | C3 | H4 | 173.1° | 60.0° |
| N1 | C2 | C3 | H5 | 68.0° | 60.0° |
| N3 | N4 | N8 | C4 | 0.9° | 0.4° |
| N4 | N3 | N2 | H10 | 179.5° | 180.0° |
| N8 | C4 | C3 | H4 | 148.9° | 175.0° |
| N8 | C4 | C3 | H5 | 30.0° | 65.0° |
| N8 | C4 | N2 | H10 | 178.9° | 179.8° |
| O1 | C1 | N1 | C5 | 179.2° | 179.8° |
| O1 | C1 | C5 | C10 | 11.8° | 0.2° |
| O1 | C1 | C5 | N5 | 167.0° | 179.7° |
| O1 | C1 | N1 | H1 | 176.0° | 179.8° |
| N1 | C1 | C5 | C10 | 168.9° | 180.0° |
| N1 | C1 | C5 | N5 | 12.2° | 0.1° |
| C1 | N1 | C2 | H3 | 119.3° | 59.9° |
| C1 | N1 | C2 | H2 | 0.6° | 60.0° |
| C1 | C5 | C10 | N5 | 178.8° | 179.9° |
| C1 | C5 | C10 | C9 | 2.3° | 0.4° |
| C1 | C5 | C10 | C7 | 179.1° | 179.9° |
| C1 | C5 | N5 | C6 | 179.0° | 179.9° |
| C5 | C1 | N1 | H1 | 4.8° | 0.0° |
| C5 | C10 | C9 | C7 | 178.7° | 179.7° |
| C5 | C10 | C9 | C8 | 178.8° | 179.7° |
| C10 | C5 | N5 | C6 | 0.1° | 0.0° |
| C5 | C10 | C7 | N7 | 178.5° | 180.0° |
| C5 | C10 | C7 | N6 | 0.7° | 0.0° |
| C5 | C10 | C9 | H9 | 1.2° | 0.3° |
| N5 | C5 | C10 | C9 | 178.8° | 179.7° |
| N5 | C5 | C10 | C7 | 0.3° | 0.0° |
| C5 | N5 | C6 | N6 | 0.4° | 0.0° |
| C5 | N5 | C6 | H6 | 179.6° | 180.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | N7 | 0.7° | 0.2° |
| C9 | C10 | C7 | N7 | 0.5° | 0.2° |
| C9 | C10 | C7 | N6 | 179.8° | 179.8° |
| C10 | C9 | C8 | H8 | 179.3° | 179.9° |
| C8 | C9 | C10 | C7 | 0.1° | 0.0° |
| C9 | C8 | N7 | H8 | 180.0° | 179.7° |
| C9 | C8 | N7 | C7 | 1.1° | 0.3° |
| C9 | C8 | N7 | H7 | 178.9° | 180.0° |
| C10 | C7 | N7 | C8 | 1.0° | 0.3° |
| C10 | C7 | N7 | N6 | 179.2° | 180.0° |
| C10 | C7 | N6 | C6 | 1.0° | 0.0° |
| C7 | C10 | C9 | H9 | 179.9° | 180.0° |
| C10 | C7 | N7 | H7 | 179.0° | 180.0° |
| N5 | C6 | N6 | C7 | 0.8° | 0.0° |
| N5 | C6 | N6 | H6 | 180.0° | 180.0° |
| C8 | N7 | C7 | H7 | 180.0° | 179.7° |
| C8 | N7 | C7 | N6 | 179.8° | 179.7° |
| N7 | C8 | C9 | H9 | 179.3° | 179.8° |
| N7 | C7 | N6 | C6 | 178.1° | 180.0° |
| C7 | N7 | C8 | H8 | 178.9° | 180.0° |
| C7 | N6 | C6 | H6 | 179.2° | 180.0° |
| N6 | C7 | N7 | H7 | 0.2° | 0.0° |
| H3 | C2 | C3 | H4 | 66.9° | 60.0° |
| H3 | C2 | C3 | H5 | 52.0° | 180.0° |
| H3 | C2 | N1 | H1 | 60.7° | 120.0° |
| H2 | C2 | C3 | H4 | 53.1° | 180.0° |
| H2 | C2 | C3 | H5 | 171.9° | 59.9° |
| H2 | C2 | N1 | H1 | 179.4° | 120.0° |
| H8 | C8 | C9 | H9 | 0.7° | 0.1° |
| H8 | C8 | N7 | H7 | 1.1° | 0.3° |
