AEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C7 | sing | 1.53Å | 1.53Å | |
| C4 | C1 | sing | 1.51Å | 1.51Å | |
| C5 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | N10 | sing | 1.47Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | O11 | sing | 1.36Å | 1.37Å | |
| C3 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 1.01Å | 1.00Å | |
| N10 | HN1A | sing | 1.01Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C4 | C1 | 114.5° | 109.4° |
| C4 | C7 | N10 | 110.3° | 109.5° |
| C4 | C7 | C9 | 110.6° | 109.5° |
| C7 | C4 | H4 | 107.8° | 109.4° |
| C7 | C4 | H4A | 106.7° | 109.5° |
| C4 | C7 | H7 | 108.5° | 109.5° |
| C4 | C1 | C3 | 119.7° | 120.0° |
| C4 | C1 | C2 | 120.0° | 119.9° |
| C1 | C4 | H4 | 107.8° | 109.5° |
| C1 | C4 | H4A | 106.7° | 109.5° |
| C8 | C5 | C2 | 118.5° | 119.9° |
| C5 | C8 | C6 | 122.3° | 119.9° |
| C5 | C8 | O11 | 118.3° | 120.1° |
| C8 | C5 | H5 | 120.8° | 120.1° |
| C5 | C2 | C1 | 120.4° | 120.0° |
| C2 | C5 | H5 | 120.7° | 120.0° |
| C5 | C2 | H2 | 119.8° | 120.0° |
| C8 | C6 | C3 | 118.3° | 119.9° |
| C6 | C8 | O11 | 119.4° | 120.0° |
| C8 | C6 | H6 | 120.8° | 120.0° |
| C6 | C3 | C1 | 120.3° | 120.1° |
| C3 | C6 | H6 | 120.9° | 120.1° |
| C6 | C3 | H3 | 119.9° | 120.0° |
| N10 | C7 | C9 | 110.4° | 109.5° |
| N10 | C7 | H7 | 108.7° | 109.4° |
| C7 | N10 | HN10 | 109.5° | 111.0° |
| C7 | N10 | HN1A | 109.4° | 111.0° |
| C9 | C7 | H7 | 108.4° | 109.5° |
| C7 | C9 | H9 | 109.5° | 109.5° |
| C7 | C9 | H9A | 109.5° | 109.5° |
| C7 | C9 | H9B | 109.5° | 109.5° |
| C8 | O11 | HO11 | 109.5° | 114.0° |
| C3 | C1 | C2 | 120.2° | 120.2° |
| C1 | C3 | H3 | 119.8° | 120.0° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| H4 | C4 | H4A | 113.5° | 109.5° |
| HN10 | N10 | HN1A | 109.5° | 111.0° |
| H9 | C9 | H9A | 109.4° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C4 | C1 | H4 | 120.0° | 120.0° |
| C7 | C4 | C1 | H4A | 117.8° | 120.0° |
| C4 | C7 | N10 | C9 | 122.5° | 120.0° |
| C4 | C7 | N10 | H7 | 118.8° | 120.0° |
| C4 | C7 | C9 | H7 | 118.8° | 120.0° |
| C7 | C4 | C1 | C3 | 111.7° | 90.0° |
| C7 | C4 | C1 | C2 | 69.4° | 90.1° |
| C7 | C4 | H4 | H4A | 117.9° | 120.0° |
| C4 | C7 | N10 | HN10 | 140.2° | 56.0° |
| C4 | C7 | N10 | HN1A | 20.3° | 179.9° |
| C4 | C7 | C9 | H9 | 27.0° | 180.0° |
| C4 | C7 | C9 | H9A | 147.0° | 60.0° |
| C4 | C7 | C9 | H9B | 93.0° | 60.0° |
| C4 | C1 | C2 | C5 | 179.3° | 180.0° |
| C4 | C1 | C3 | C6 | 179.3° | 179.9° |
| C1 | C4 | C7 | N10 | 168.0° | 65.0° |
| C1 | C4 | C7 | C9 | 69.6° | 175.0° |
| C4 | C1 | C3 | C2 | 178.9° | 179.9° |
| C1 | C4 | H4 | H4A | 118.0° | 120.0° |
| C1 | C4 | C7 | H7 | 49.1° | 55.0° |
| C4 | C1 | C3 | H3 | 0.7° | 0.1° |
| C4 | C1 | C2 | H2 | 0.7° | 0.1° |
| C8 | C5 | C2 | H5 | 180.0° | 179.8° |
| C5 | C8 | C6 | O11 | 179.9° | 180.0° |
| C5 | C8 | C6 | C3 | 0.1° | 0.0° |
| C8 | C5 | C2 | C1 | 0.3° | 0.0° |
| C5 | C8 | C6 | H6 | 179.9° | 180.0° |
| C5 | C8 | O11 | HO11 | 68.1° | 90.0° |
| C8 | C5 | C2 | H2 | 179.8° | 180.0° |
| C2 | C5 | C8 | C6 | 0.1° | 0.0° |
| C2 | C5 | C8 | O11 | 179.8° | 180.0° |
| C5 | C2 | C1 | C3 | 0.4° | 0.0° |
| C5 | C2 | C1 | H2 | 180.0° | 180.0° |
| C8 | C6 | C3 | H6 | 180.0° | 180.0° |
| C8 | C6 | C3 | C1 | 0.2° | 0.0° |
| C6 | C8 | C5 | H5 | 179.9° | 179.7° |
| C6 | C8 | O11 | HO11 | 111.9° | 90.0° |
| C8 | C6 | C3 | H3 | 179.8° | 180.0° |
| C3 | C6 | C8 | O11 | 179.8° | 180.0° |
| C6 | C3 | C1 | H3 | 180.0° | 180.0° |
| C6 | C3 | C1 | C2 | 0.4° | 0.0° |
| N10 | C7 | C9 | H7 | 118.9° | 120.0° |
| N10 | C7 | C4 | H4 | 48.0° | 55.0° |
| N10 | C7 | C4 | H4A | 74.2° | 175.0° |
| C7 | N10 | HN10 | HN1A | 120.0° | 123.9° |
| N10 | C7 | C9 | H9 | 95.3° | 60.0° |
| N10 | C7 | C9 | H9A | 24.7° | 180.0° |
| N10 | C7 | C9 | H9B | 144.7° | 60.0° |
| C9 | C7 | C4 | H4 | 170.4° | 65.0° |
| C9 | C7 | C4 | H4A | 48.1° | 55.0° |
| C9 | C7 | N10 | HN10 | 17.8° | 176.1° |
| C9 | C7 | N10 | HN1A | 102.2° | 60.0° |
| C7 | C9 | H9 | H9A | 120.0° | 120.0° |
| C7 | C9 | H9 | H9B | 120.0° | 120.0° |
| C7 | C9 | H9A | H9B | 120.0° | 120.0° |
| O11 | C8 | C5 | H5 | 0.2° | 0.3° |
| O11 | C8 | C6 | H6 | 0.2° | 0.0° |
| C3 | C1 | C4 | H4 | 128.3° | 29.9° |
| C3 | C1 | C4 | H4A | 6.0° | 150.0° |
| C1 | C3 | C6 | H6 | 179.8° | 180.0° |
| C3 | C1 | C2 | H2 | 179.6° | 180.0° |
| C2 | C1 | C4 | H4 | 50.6° | 150.0° |
| C2 | C1 | C4 | H4A | 172.8° | 29.9° |
| C1 | C2 | C5 | H5 | 179.7° | 179.7° |
| C2 | C1 | C3 | H3 | 179.6° | 180.0° |
| H4 | C4 | C7 | H7 | 70.9° | 175.0° |
| H4A | C4 | C7 | H7 | 166.8° | 65.0° |
| H5 | C5 | C2 | H2 | 0.2° | 0.3° |
| H6 | C6 | C3 | H3 | 0.2° | 0.0° |
| H7 | C7 | N10 | HN10 | 101.0° | 63.9° |
| H7 | C7 | N10 | HN1A | 139.1° | 60.0° |
| H7 | C7 | C9 | H9 | 145.8° | 60.0° |
| H7 | C7 | C9 | H9A | 94.2° | 60.0° |
| H7 | C7 | C9 | H9B | 25.8° | 180.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
