A1E25
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | doub | 1.33Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.47Å | 1.53Å | |
| C1 | C6 | sing | 1.51Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | doub | 1.33Å | 1.37Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C6 | 111.1° | 109.4° |
| O1 | C1 | C2 | 112.1° | 109.4° |
| O1 | C1 | H2 | 110.2° | 109.3° |
| C1 | O1 | H1 | 109.5° | 113.9° |
| C4 | C3 | C2 | 106.8° | 120.2° |
| C3 | C4 | C5 | 117.6° | 119.8° |
| C3 | C4 | H6 | 121.2° | 120.1° |
| C4 | C3 | H12 | 126.6° | 120.0° |
| C3 | C2 | C1 | 109.6° | 110.0° |
| C3 | C2 | O2 | 118.6° | 109.2° |
| C3 | C2 | H3 | 104.1° | 109.4° |
| C2 | C3 | H12 | 126.6° | 119.9° |
| C4 | C5 | C6 | 118.2° | 119.7° |
| C5 | C4 | H6 | 121.2° | 120.1° |
| C4 | C5 | H7 | 120.9° | 120.1° |
| C6 | C1 | C2 | 106.8° | 109.9° |
| C1 | C6 | C5 | 123.2° | 120.2° |
| C1 | C6 | H8 | 118.4° | 119.9° |
| C6 | C1 | H2 | 108.3° | 109.4° |
| C1 | C2 | O2 | 114.0° | 109.4° |
| C2 | C1 | H2 | 108.2° | 109.4° |
| C1 | C2 | H3 | 103.7° | 109.4° |
| C6 | C5 | H7 | 120.9° | 120.1° |
| C5 | C6 | H8 | 118.4° | 119.9° |
| O2 | C2 | H3 | 105.1° | 109.4° |
| C2 | O2 | H4 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C3 | 59.9° | 169.7° |
| O1 | C1 | C6 | C2 | 122.5° | 120.1° |
| O1 | C1 | C6 | H2 | 121.1° | 119.7° |
| O1 | C1 | C2 | H2 | 121.7° | 119.8° |
| O1 | C1 | C6 | C5 | 91.0° | 155.0° |
| O1 | C1 | C2 | O2 | 75.7° | 49.7° |
| O1 | C1 | C6 | H8 | 89.0° | 25.0° |
| O1 | C1 | C2 | H3 | 170.5° | 70.1° |
| C4 | C3 | C2 | H12 | 180.0° | 179.3° |
| C3 | C4 | C5 | H6 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 67.3° | 34.3° |
| C3 | C4 | C5 | C6 | 11.8° | 19.6° |
| C4 | C3 | C2 | O2 | 159.4° | 85.8° |
| C3 | C4 | C5 | H7 | 168.2° | 160.4° |
| C4 | C3 | C2 | H3 | 43.1° | 154.5° |
| C2 | C3 | C4 | C5 | 41.0° | 0.5° |
| C3 | C2 | C1 | C6 | 62.0° | 49.6° |
| C3 | C2 | C1 | O2 | 135.6° | 119.9° |
| C3 | C2 | C1 | H3 | 110.7° | 120.2° |
| C3 | C2 | O2 | H3 | 115.8° | 119.7° |
| C2 | C3 | C4 | H6 | 139.0° | 179.9° |
| C3 | C2 | C1 | H2 | 178.5° | 70.6° |
| C3 | C2 | O2 | H4 | 180.0° | 59.5° |
| C4 | C5 | C6 | C1 | 7.4° | 0.2° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C4 | C5 | C6 | H8 | 172.6° | 179.9° |
| C5 | C4 | C3 | H12 | 139.0° | 179.8° |
| C6 | C1 | C2 | H2 | 116.4° | 120.2° |
| C1 | C6 | C5 | H8 | 180.0° | 180.0° |
| C6 | C1 | C2 | O2 | 162.3° | 70.4° |
| C1 | C6 | C5 | H7 | 172.6° | 179.8° |
| C6 | C1 | C2 | H3 | 48.6° | 169.8° |
| C6 | C1 | O1 | H1 | 180.0° | 60.0° |
| C2 | C1 | C6 | C5 | 31.5° | 34.9° |
| C1 | C2 | O2 | H3 | 112.8° | 119.8° |
| C2 | C1 | C6 | H8 | 148.5° | 145.1° |
| C1 | C2 | C3 | H12 | 112.7° | 145.0° |
| C2 | C1 | O1 | H1 | 60.6° | 179.5° |
| C1 | C2 | O2 | H4 | 48.6° | 180.0° |
| C6 | C5 | C4 | H6 | 168.2° | 160.7° |
| C5 | C6 | C1 | H2 | 147.8° | 85.3° |
| O2 | C2 | C1 | H2 | 45.9° | 169.5° |
| O2 | C2 | C3 | H12 | 20.6° | 94.9° |
| H6 | C4 | C5 | H7 | 11.8° | 19.3° |
| H6 | C4 | C3 | H12 | 41.0° | 0.5° |
| H7 | C5 | C6 | H8 | 7.4° | 0.1° |
| H8 | C6 | C1 | H2 | 32.2° | 94.7° |
| H2 | C1 | C2 | H3 | 67.8° | 49.7° |
| H2 | C1 | O1 | H1 | 59.9° | 59.7° |
| H3 | C2 | C3 | H12 | 137.0° | 24.8° |
| H3 | C2 | O2 | H4 | 64.2° | 60.2° |
