AEH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | C1 | sing | 1.51Å | 1.51Å | |
| C5 | C10 | sing | 1.51Å | 1.50Å | |
| C5 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| N12 | C11 | sing | 1.47Å | 1.51Å | |
| O7 | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 1.01Å | 1.00Å | |
| N12 | HN1A | sing | 1.01Å | 1.00Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C4 | C1 | 113.0° | 109.5° |
| C8 | C4 | H4 | 108.3° | 109.5° |
| C8 | C4 | H4A | 107.5° | 109.5° |
| C4 | C8 | H8 | 109.5° | 109.5° |
| C4 | C8 | H8A | 109.5° | 109.5° |
| C4 | C8 | H8B | 109.5° | 109.5° |
| C4 | C1 | C3 | 120.3° | 120.0° |
| C4 | C1 | C2 | 121.0° | 120.0° |
| C1 | C4 | H4 | 108.3° | 109.5° |
| C1 | C4 | H4A | 107.5° | 109.5° |
| C10 | C5 | C9 | 119.7° | 119.9° |
| C10 | C5 | C2 | 119.9° | 119.9° |
| C5 | C10 | C11 | 111.4° | 109.5° |
| C5 | C10 | H10 | 108.8° | 109.5° |
| C5 | C10 | H10A | 108.4° | 109.5° |
| C9 | C5 | C2 | 120.4° | 120.2° |
| C5 | C9 | C6 | 120.3° | 120.0° |
| C5 | C9 | H9 | 119.9° | 120.0° |
| C5 | C2 | C1 | 119.9° | 120.0° |
| C5 | C2 | H2 | 120.1° | 120.0° |
| C3 | C6 | C9 | 118.7° | 119.9° |
| C6 | C3 | O7 | 117.9° | 120.0° |
| C6 | C3 | C1 | 122.1° | 119.9° |
| C3 | C6 | H6 | 120.6° | 120.0° |
| C9 | C6 | H6 | 120.7° | 120.1° |
| C6 | C9 | H9 | 119.8° | 119.9° |
| C10 | C11 | N12 | 110.0° | 109.5° |
| C11 | C10 | H10 | 108.8° | 109.5° |
| C11 | C10 | H10A | 108.4° | 109.5° |
| C10 | C11 | H11 | 109.3° | 109.5° |
| C10 | C11 | H11A | 109.2° | 109.5° |
| C11 | N12 | HN12 | 109.5° | 111.0° |
| C11 | N12 | HN1A | 109.5° | 111.0° |
| N12 | C11 | H11 | 109.3° | 109.4° |
| N12 | C11 | H11A | 109.2° | 109.5° |
| O7 | C3 | C1 | 120.0° | 120.1° |
| C3 | O7 | HO7 | 109.5° | 113.9° |
| C3 | C1 | C2 | 118.7° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| H4 | C4 | H4A | 112.3° | 109.4° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.4° | 109.4° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H10 | C10 | H10A | 111.0° | 109.4° |
| HN12 | N12 | HN1A | 109.5° | 111.0° |
| H11 | C11 | H11A | 109.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C4 | C1 | H4 | 120.0° | 120.0° |
| C8 | C4 | C1 | H4A | 118.5° | 120.0° |
| C8 | C4 | C1 | C3 | 116.2° | 80.0° |
| C8 | C4 | C1 | C2 | 64.4° | 100.0° |
| C8 | C4 | H4 | H4A | 118.5° | 120.0° |
| C4 | C8 | H8 | H8A | 120.0° | 120.0° |
| C4 | C8 | H8 | H8B | 120.0° | 120.0° |
| C4 | C8 | H8A | H8B | 120.0° | 120.0° |
| C4 | C1 | C2 | C5 | 179.6° | 180.0° |
| C4 | C1 | C3 | C6 | 179.6° | 179.8° |
| C4 | C1 | C3 | O7 | 0.4° | 0.0° |
| C4 | C1 | C3 | C2 | 179.5° | 179.9° |
| C1 | C4 | H4 | H4A | 118.5° | 120.0° |
| C1 | C4 | C8 | H8 | 145.7° | 180.0° |
| C1 | C4 | C8 | H8A | 25.6° | 60.0° |
| C1 | C4 | C8 | H8B | 94.4° | 60.0° |
| C4 | C1 | C2 | H2 | 0.5° | 0.1° |
| C10 | C5 | C9 | C2 | 179.7° | 179.7° |
| C10 | C5 | C9 | C6 | 179.9° | 180.0° |
| C5 | C10 | C11 | H10 | 120.0° | 120.0° |
| C5 | C10 | C11 | H10A | 119.2° | 120.0° |
| C5 | C10 | C11 | N12 | 146.4° | 180.0° |
| C10 | C5 | C2 | C1 | 179.8° | 180.0° |
| C5 | C10 | H10 | H10A | 119.2° | 120.0° |
| C10 | C5 | C9 | H9 | 0.1° | 0.0° |
| C5 | C10 | C11 | H11 | 93.6° | 60.0° |
| C5 | C10 | C11 | H11A | 26.6° | 60.0° |
| C10 | C5 | C2 | H2 | 0.2° | 0.0° |
| C5 | C9 | C6 | C3 | 0.1° | 0.0° |
| C5 | C9 | C6 | H9 | 180.0° | 179.9° |
| C9 | C5 | C10 | C11 | 69.7° | 90.0° |
| C9 | C5 | C2 | C1 | 0.0° | 0.3° |
| C5 | C9 | C6 | H6 | 179.9° | 179.8° |
| C9 | C5 | C10 | H10 | 50.3° | 150.0° |
| C9 | C5 | C10 | H10A | 171.1° | 30.0° |
| C9 | C5 | C2 | H2 | 180.0° | 179.7° |
| C2 | C5 | C9 | C6 | 0.1° | 0.3° |
| C2 | C5 | C10 | C11 | 110.5° | 90.3° |
| C5 | C2 | C1 | C3 | 0.1° | 0.0° |
| C5 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C5 | C10 | H10 | 129.5° | 29.8° |
| C2 | C5 | C10 | H10A | 8.7° | 149.7° |
| C2 | C5 | C9 | H9 | 179.9° | 179.8° |
| C3 | C6 | C9 | H6 | 180.0° | 179.8° |
| C6 | C3 | O7 | C1 | 180.0° | 179.8° |
| C6 | C3 | C1 | C2 | 0.1° | 0.2° |
| C6 | C3 | O7 | HO7 | 45.8° | 90.1° |
| C3 | C6 | C9 | H9 | 179.9° | 180.0° |
| C9 | C6 | C3 | O7 | 180.0° | 180.0° |
| C9 | C6 | C3 | C1 | 0.0° | 0.2° |
| C10 | C11 | N12 | H11 | 120.0° | 120.0° |
| C10 | C11 | N12 | H11A | 119.8° | 120.0° |
| C11 | C10 | H10 | H10A | 119.2° | 120.0° |
| C10 | C11 | N12 | HN12 | 42.1° | 56.0° |
| C10 | C11 | N12 | HN1A | 162.1° | 180.0° |
| C10 | C11 | H11 | H11A | 119.8° | 120.0° |
| N12 | C11 | C10 | H10 | 26.4° | 60.0° |
| N12 | C11 | C10 | H10A | 94.4° | 60.0° |
| C11 | N12 | HN12 | HN1A | 120.0° | 124.0° |
| N12 | C11 | H11 | H11A | 119.8° | 120.0° |
| O7 | C3 | C1 | C2 | 179.9° | 180.0° |
| O7 | C3 | C6 | H6 | 0.0° | 0.2° |
| C3 | C1 | C4 | H4 | 123.8° | 160.0° |
| C3 | C1 | C4 | H4A | 2.3° | 40.1° |
| C1 | C3 | C6 | H6 | 179.9° | 179.9° |
| C1 | C3 | O7 | HO7 | 134.2° | 89.7° |
| C3 | C1 | C2 | H2 | 179.9° | 180.0° |
| C2 | C1 | C4 | H4 | 55.6° | 20.0° |
| C2 | C1 | C4 | H4A | 177.1° | 140.0° |
| H4 | C4 | C8 | H8 | 25.7° | 60.0° |
| H4 | C4 | C8 | H8A | 94.4° | 60.0° |
| H4 | C4 | C8 | H8B | 145.6° | 180.0° |
| H4A | C4 | C8 | H8 | 95.8° | 60.0° |
| H4A | C4 | C8 | H8A | 144.1° | 180.0° |
| H4A | C4 | C8 | H8B | 24.1° | 60.0° |
| H6 | C6 | C9 | H9 | 0.1° | 0.2° |
| H8 | C8 | H8A | H8B | 119.9° | 120.0° |
| H10 | C10 | C11 | H11 | 146.4° | 180.0° |
| H10 | C10 | C11 | H11A | 93.4° | 60.0° |
| H10A | C10 | C11 | H11 | 25.6° | 60.0° |
| H10A | C10 | C11 | H11A | 145.8° | 180.0° |
| HN12 | N12 | C11 | H11 | 77.9° | 64.0° |
| HN12 | N12 | C11 | H11A | 161.9° | 176.1° |
| HN1A | N12 | C11 | H11 | 42.1° | 60.0° |
| HN1A | N12 | C11 | H11A | 78.1° | 60.0° |
