A1EDC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.35Å | 1.36Å | Aromatic |
| C7 | C1 | sing | 1.41Å | 1.44Å | Aromatic |
| C8 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | O11 | doub | 1.21Å | 1.23Å | |
| C9 | C6 | sing | 1.47Å | 1.48Å | |
| C1 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| N10 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C1 | 106.7° | 107.8° |
| C7 | C8 | N10 | 110.3° | 109.6° |
| C8 | C7 | H3 | 126.7° | 126.1° |
| C7 | C8 | H4 | 124.8° | 125.2° |
| C7 | C1 | C6 | 136.8° | 134.1° |
| C7 | C1 | C2 | 106.3° | 106.8° |
| C1 | C7 | H3 | 126.7° | 126.2° |
| C8 | N10 | C2 | 108.2° | 109.0° |
| N10 | C8 | H4 | 124.8° | 125.2° |
| C8 | N10 | H6 | 125.9° | 125.5° |
| O11 | C9 | C6 | 123.2° | 120.0° |
| O11 | C9 | H5 | 118.4° | 120.0° |
| C9 | C6 | C1 | 121.7° | 121.1° |
| C9 | C6 | C5 | 119.8° | 121.1° |
| C6 | C9 | H5 | 118.4° | 120.0° |
| C6 | C1 | C2 | 116.9° | 119.1° |
| C1 | C6 | C5 | 118.3° | 117.8° |
| C1 | C2 | N10 | 108.4° | 106.8° |
| C1 | C2 | N3 | 125.4° | 120.1° |
| N10 | C2 | N3 | 126.1° | 133.2° |
| C2 | N10 | H6 | 125.9° | 125.5° |
| C6 | C5 | C4 | 119.0° | 119.2° |
| C6 | C5 | H2 | 120.5° | 120.4° |
| C2 | N3 | C4 | 115.9° | 122.1° |
| C5 | C4 | N3 | 124.4° | 121.8° |
| C5 | C4 | H1 | 117.8° | 119.1° |
| C4 | C5 | H2 | 120.5° | 120.4° |
| N3 | C4 | H1 | 117.8° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C1 | H3 | 180.0° | 179.9° |
| C7 | C8 | N10 | H4 | 180.0° | 180.0° |
| C8 | C7 | C1 | C6 | 179.6° | 180.0° |
| C8 | C7 | C1 | C2 | 0.2° | 0.0° |
| C7 | C8 | N10 | C2 | 0.1° | 0.0° |
| C7 | C8 | N10 | H6 | 179.9° | 179.9° |
| C1 | C7 | C8 | N10 | 0.0° | 0.0° |
| C7 | C1 | C6 | C9 | 6.7° | 0.0° |
| C7 | C1 | C6 | C2 | 179.7° | 180.0° |
| C7 | C1 | C2 | N10 | 0.3° | 0.0° |
| C7 | C1 | C6 | C5 | 179.0° | 180.0° |
| C7 | C1 | C2 | N3 | 179.1° | 179.8° |
| C1 | C7 | C8 | H4 | 180.0° | 180.0° |
| C8 | N10 | C2 | C1 | 0.2° | 0.0° |
| C8 | N10 | C2 | H6 | 180.0° | 180.0° |
| C8 | N10 | C2 | N3 | 179.0° | 179.7° |
| N10 | C8 | C7 | H3 | 180.0° | 179.9° |
| O11 | C9 | C6 | H5 | 180.0° | 179.9° |
| O11 | C9 | C6 | C1 | 164.1° | 180.0° |
| O11 | C9 | C6 | C5 | 21.6° | 0.0° |
| C9 | C6 | C1 | C5 | 174.3° | 180.0° |
| C9 | C6 | C1 | C2 | 173.6° | 180.0° |
| C9 | C6 | C5 | C4 | 173.9° | 180.0° |
| C9 | C6 | C5 | H2 | 6.1° | 0.0° |
| C6 | C1 | C2 | N10 | 179.5° | 180.0° |
| C6 | C1 | C2 | N3 | 0.7° | 0.2° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H2 | 179.4° | 180.0° |
| C6 | C1 | C7 | H3 | 0.4° | 0.1° |
| C1 | C6 | C9 | H5 | 15.9° | 0.1° |
| C1 | C2 | N10 | N3 | 178.8° | 179.7° |
| C2 | C1 | C6 | C5 | 0.7° | 0.0° |
| C1 | C2 | N3 | C4 | 0.5° | 0.5° |
| C2 | C1 | C7 | H3 | 179.8° | 179.9° |
| C1 | C2 | N10 | H6 | 179.7° | 180.0° |
| N10 | C2 | N3 | C4 | 179.0° | 179.8° |
| C2 | N10 | C8 | H4 | 179.9° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | N3 | 0.3° | 0.3° |
| C6 | C5 | C4 | H1 | 179.7° | 180.0° |
| C5 | C6 | C9 | H5 | 158.4° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.5° |
| C2 | N3 | C4 | H1 | 179.8° | 179.8° |
| N3 | C2 | N10 | H6 | 1.0° | 0.3° |
| C5 | C4 | N3 | H1 | 180.0° | 179.7° |
| N3 | C4 | C5 | H2 | 179.7° | 179.7° |
| H1 | C4 | C5 | H2 | 0.3° | 0.0° |
| H3 | C7 | C8 | H4 | 0.0° | 0.1° |
| H4 | C8 | N10 | H6 | 0.1° | 0.0° |
