A1ED0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.34Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.47Å | 1.43Å | Aromatic |
| C2 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.37Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C9 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| O1 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 111.2° | 109.4° |
| O1 | C1 | H6 | 109.0° | 109.5° |
| O1 | C1 | H7 | 109.0° | 109.4° |
| C1 | O1 | H9 | 109.5° | 114.1° |
| C1 | C2 | C9 | 122.2° | 120.1° |
| C1 | C2 | C3 | 120.1° | 120.1° |
| C2 | C1 | H6 | 109.0° | 109.5° |
| C2 | C1 | H7 | 109.0° | 109.5° |
| C7 | C8 | C9 | 107.1° | 107.0° |
| C8 | C7 | N1 | 109.8° | 110.0° |
| C8 | C7 | H4 | 125.1° | 125.1° |
| C7 | C8 | H5 | 126.4° | 126.5° |
| C8 | C9 | C2 | 134.4° | 134.0° |
| C8 | C9 | C6 | 106.6° | 106.0° |
| C9 | C8 | H5 | 126.5° | 126.5° |
| C9 | C2 | C3 | 117.7° | 119.8° |
| C2 | C9 | C6 | 119.0° | 119.9° |
| C2 | C3 | C4 | 121.9° | 120.5° |
| C2 | C3 | H8 | 119.0° | 119.7° |
| C7 | N1 | C6 | 108.9° | 109.8° |
| C7 | N1 | H1 | 125.5° | 125.1° |
| N1 | C7 | H4 | 125.1° | 125.0° |
| C9 | C6 | N1 | 107.5° | 107.2° |
| C9 | C6 | C5 | 122.1° | 119.3° |
| C3 | C4 | C5 | 121.5° | 120.7° |
| C3 | C4 | H2 | 119.3° | 119.6° |
| C4 | C3 | H8 | 119.1° | 119.8° |
| N1 | C6 | C5 | 130.3° | 133.5° |
| C6 | N1 | H1 | 125.5° | 125.0° |
| C6 | C5 | C4 | 117.7° | 119.8° |
| C6 | C5 | H3 | 121.2° | 120.2° |
| C5 | C4 | H2 | 119.3° | 119.7° |
| C4 | C5 | H3 | 121.1° | 120.1° |
| H6 | C1 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H6 | 120.3° | 120.0° |
| O1 | C1 | C2 | H7 | 120.3° | 120.0° |
| O1 | C1 | C2 | C9 | 104.9° | 180.0° |
| O1 | C1 | C2 | C3 | 74.8° | 0.0° |
| O1 | C1 | H6 | H7 | 119.2° | 120.0° |
| C1 | C2 | C9 | C8 | 0.2° | 0.1° |
| C1 | C2 | C9 | C3 | 179.7° | 179.9° |
| C1 | C2 | C9 | C6 | 179.5° | 179.6° |
| C1 | C2 | C3 | C4 | 179.1° | 179.0° |
| C2 | C1 | H6 | H7 | 119.2° | 120.1° |
| C1 | C2 | C3 | H8 | 0.9° | 0.0° |
| C2 | C1 | O1 | H9 | 180.0° | 180.0° |
| C7 | C8 | C9 | H5 | 180.0° | 179.8° |
| C7 | C8 | C9 | C2 | 179.8° | 180.0° |
| C8 | C7 | N1 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C6 | 0.4° | 0.4° |
| C8 | C7 | N1 | C6 | 0.0° | 0.0° |
| C8 | C7 | N1 | H1 | 179.9° | 179.8° |
| C8 | C9 | C2 | C6 | 179.7° | 179.5° |
| C8 | C9 | C2 | C3 | 179.9° | 180.0° |
| C9 | C8 | C7 | N1 | 0.3° | 0.2° |
| C8 | C9 | C6 | N1 | 0.4° | 0.4° |
| C8 | C9 | C6 | C5 | 179.8° | 179.6° |
| C9 | C8 | C7 | H4 | 179.7° | 179.7° |
| C9 | C2 | C3 | C4 | 0.6° | 1.1° |
| C2 | C9 | C6 | N1 | 179.8° | 179.9° |
| C2 | C9 | C6 | C5 | 0.1° | 0.1° |
| C2 | C9 | C8 | H5 | 0.2° | 0.3° |
| C9 | C2 | C1 | H6 | 134.8° | 60.1° |
| C9 | C2 | C1 | H7 | 15.4° | 60.0° |
| C9 | C2 | C3 | H8 | 179.4° | 179.9° |
| C3 | C2 | C9 | C6 | 0.2° | 0.5° |
| C2 | C3 | C4 | H8 | 180.0° | 179.0° |
| C2 | C3 | C4 | C5 | 0.9° | 1.2° |
| C2 | C3 | C4 | H2 | 179.1° | 179.5° |
| C3 | C2 | C1 | H6 | 45.5° | 120.0° |
| C3 | C2 | C1 | H7 | 164.9° | 119.9° |
| C7 | N1 | C6 | C9 | 0.3° | 0.3° |
| C7 | N1 | C6 | H1 | 180.0° | 179.8° |
| C7 | N1 | C6 | C5 | 180.0° | 179.7° |
| N1 | C7 | C8 | H5 | 179.7° | 180.0° |
| C9 | C6 | N1 | C5 | 179.7° | 180.0° |
| C9 | C6 | C5 | C4 | 0.3° | 0.0° |
| C9 | C6 | N1 | H1 | 179.7° | 180.0° |
| C9 | C6 | C5 | H3 | 179.7° | 180.0° |
| C6 | C9 | C8 | H5 | 179.6° | 179.8° |
| C3 | C4 | C5 | C6 | 0.8° | 0.7° |
| C3 | C4 | C5 | H2 | 180.0° | 179.3° |
| C3 | C4 | C5 | H3 | 179.3° | 179.4° |
| N1 | C6 | C5 | C4 | 180.0° | 180.0° |
| N1 | C6 | C5 | H3 | 0.0° | 0.0° |
| C6 | N1 | C7 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C5 | C6 | N1 | H1 | 0.0° | 0.0° |
| C6 | C5 | C4 | H2 | 179.2° | 180.0° |
| C5 | C4 | C3 | H8 | 179.1° | 179.8° |
| H1 | N1 | C7 | H4 | 0.1° | 0.3° |
| H2 | C4 | C5 | H3 | 0.7° | 0.0° |
| H2 | C4 | C3 | H8 | 0.9° | 0.5° |
| H4 | C7 | C8 | H5 | 0.3° | 0.0° |
| H6 | C1 | O1 | H9 | 59.7° | 60.0° |
| H7 | C1 | O1 | H9 | 59.8° | 60.0° |
