A1AXO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | C2 | sing | 1.47Å | 1.50Å | |
| C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.42Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.42Å | 1.40Å | Aromatic |
| C6 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | O2 | sing | 1.22Å | 1.37Å | Aromatic |
| O2 | C8 | doub | 1.21Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 122.1° | 120.0° |
| N1 | C1 | C2 | 118.0° | 120.0° |
| C1 | N1 | H11 | 120.0° | 120.0° |
| C1 | N1 | H12 | 120.0° | 120.0° |
| O1 | C1 | C2 | 119.9° | 120.0° |
| C1 | C2 | C3 | 120.7° | 120.2° |
| C1 | C2 | C7 | 119.4° | 120.3° |
| C3 | C2 | C7 | 119.8° | 119.4° |
| C2 | C3 | C4 | 120.5° | 120.9° |
| C2 | C3 | H3 | 119.8° | 119.6° |
| C2 | C7 | C6 | 120.5° | 118.6° |
| C2 | C7 | O2 | 117.9° | 120.9° |
| C3 | C4 | C5 | 119.7° | 120.8° |
| C4 | C3 | H3 | 119.8° | 119.5° |
| C3 | C4 | H4 | 120.1° | 119.6° |
| C4 | C5 | C6 | 121.1° | 120.0° |
| C5 | C4 | H4 | 120.2° | 119.6° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C5 | C6 | C7 | 118.4° | 120.3° |
| C5 | C6 | C10 | 123.9° | 121.7° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C7 | C6 | C10 | 117.7° | 118.0° |
| C6 | C7 | O2 | 121.6° | 120.5° |
| C6 | C10 | C9 | 120.6° | 115.5° |
| C6 | C10 | H10 | 119.7° | 122.3° |
| C7 | O2 | C8 | 118.5° | 125.0° |
| O2 | C8 | C9 | 122.2° | 123.1° |
| O2 | C8 | H8 | 118.9° | 118.5° |
| C8 | C9 | C10 | 119.3° | 118.0° |
| C9 | C8 | H8 | 118.9° | 118.4° |
| C8 | C9 | H9 | 120.4° | 121.0° |
| C10 | C9 | H9 | 120.3° | 121.0° |
| C9 | C10 | H10 | 119.7° | 122.2° |
| H11 | N1 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | C2 | 179.4° | 179.8° |
| N1 | C1 | C2 | C3 | 169.8° | 0.2° |
| N1 | C1 | C2 | C7 | 10.6° | 180.0° |
| C1 | N1 | H11 | H12 | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 9.6° | 180.0° |
| O1 | C1 | C2 | C7 | 170.0° | 0.2° |
| O1 | C1 | N1 | H11 | 0.0° | 0.0° |
| O1 | C1 | N1 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | C7 | 179.6° | 179.8° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C1 | C2 | C7 | C6 | 180.0° | 179.7° |
| C1 | C2 | C7 | O2 | 0.3° | 0.1° |
| C1 | C2 | C3 | H3 | 0.1° | 0.0° |
| C2 | C1 | N1 | H11 | 179.4° | 179.8° |
| C2 | C1 | N1 | H12 | 0.6° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C3 | C2 | C7 | C6 | 0.4° | 0.5° |
| C3 | C2 | C7 | O2 | 179.9° | 179.7° |
| C2 | C3 | C4 | H4 | 179.7° | 180.0° |
| C7 | C2 | C3 | C4 | 0.5° | 0.2° |
| C2 | C7 | C6 | C5 | 0.1° | 0.5° |
| C2 | C7 | C6 | O2 | 179.7° | 179.8° |
| C2 | C7 | C6 | C10 | 179.9° | 179.7° |
| C2 | C7 | O2 | C8 | 180.0° | 180.0° |
| C7 | C2 | C3 | H3 | 179.4° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.2° |
| C4 | C5 | C6 | C10 | 179.9° | 180.0° |
| C5 | C4 | C3 | H3 | 179.6° | 179.9° |
| C5 | C6 | C7 | C10 | 180.0° | 179.8° |
| C5 | C6 | C7 | O2 | 179.8° | 179.7° |
| C5 | C6 | C10 | C9 | 179.1° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C6 | C10 | H10 | 0.9° | 0.1° |
| C6 | C7 | O2 | C8 | 0.3° | 0.2° |
| C7 | C6 | C10 | C9 | 1.0° | 0.2° |
| C7 | C6 | C5 | H5 | 179.9° | 179.8° |
| C7 | C6 | C10 | H10 | 179.0° | 179.8° |
| C10 | C6 | C7 | O2 | 0.2° | 0.1° |
| C6 | C10 | C9 | C8 | 1.9° | 0.7° |
| C6 | C10 | C9 | H10 | 180.0° | 180.0° |
| C10 | C6 | C5 | H5 | 0.1° | 0.0° |
| C6 | C10 | C9 | H9 | 178.1° | 179.3° |
| C7 | O2 | C8 | C9 | 0.7° | 0.8° |
| C7 | O2 | C8 | H8 | 179.3° | 179.7° |
| O2 | C8 | C9 | H8 | 180.0° | 178.9° |
| O2 | C8 | C9 | C10 | 1.8° | 1.0° |
| O2 | C8 | C9 | H9 | 178.2° | 179.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 178.1° | 179.3° |
| C10 | C9 | C8 | H8 | 178.2° | 180.0° |
| H3 | C3 | C4 | H4 | 0.3° | 0.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| H8 | C8 | C9 | H9 | 1.8° | 0.1° |
| H9 | C9 | C10 | H10 | 1.9° | 0.7° |
