A1ADL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.29Å | 1.32Å | |
| C3 | C4 | sing | 1.50Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C7 | C2 | sing | 1.50Å | 1.48Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 122.7° | 118.0° |
| C1 | C2 | C7 | 116.2° | 118.0° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C3 | C4 | 124.8° | 124.1° |
| C3 | C2 | C7 | 121.1° | 124.0° |
| C2 | C3 | H3 | 117.6° | 117.9° |
| C3 | C4 | C5 | 112.3° | 110.1° |
| C3 | C4 | H4B | 108.7° | 109.3° |
| C3 | C4 | H4A | 108.8° | 109.2° |
| C4 | C3 | H3 | 117.6° | 118.0° |
| C4 | C5 | C6 | 109.9° | 108.4° |
| C5 | C4 | H4B | 108.8° | 109.4° |
| C5 | C4 | H4A | 108.7° | 109.4° |
| C4 | C5 | H5B | 109.4° | 109.6° |
| C4 | C5 | H5A | 109.4° | 109.6° |
| C5 | C6 | C7 | 110.6° | 108.5° |
| C6 | C5 | H5B | 109.4° | 109.7° |
| C6 | C5 | H5A | 109.4° | 109.6° |
| C5 | C6 | H6B | 109.2° | 109.7° |
| C5 | C6 | H6A | 109.2° | 109.6° |
| C6 | C7 | C2 | 109.0° | 110.2° |
| C7 | C6 | H6B | 109.2° | 109.7° |
| C7 | C6 | H6A | 109.2° | 109.6° |
| C6 | C7 | H7B | 109.6° | 109.4° |
| C6 | C7 | H7A | 109.6° | 109.3° |
| C2 | C7 | H7B | 109.6° | 109.4° |
| C2 | C7 | H7A | 109.6° | 109.3° |
| H4B | C4 | H4A | 109.5° | 109.3° |
| H5B | C5 | H5A | 109.4° | 109.8° |
| H6B | C6 | H6A | 109.5° | 109.8° |
| H1A | C1 | H1C | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| H1C | C1 | H1B | 109.5° | 109.5° |
| H7B | C7 | H7A | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C7 | 177.8° | 180.0° |
| C1 | C2 | C3 | C4 | 169.2° | 179.5° |
| C1 | C2 | C7 | C6 | 147.1° | 162.9° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C1 | H1C | H1B | 120.0° | 120.1° |
| C1 | C2 | C3 | H3 | 10.8° | 0.4° |
| C1 | C2 | C7 | H7B | 27.2° | 76.9° |
| C1 | C2 | C7 | H7A | 93.0° | 42.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 12.0° | 17.2° |
| C3 | C2 | C7 | C6 | 30.8° | 17.2° |
| C2 | C3 | C4 | H4B | 108.5° | 137.4° |
| C2 | C3 | C4 | H4A | 132.4° | 103.0° |
| C3 | C2 | C1 | H1A | 180.0° | 0.0° |
| C3 | C2 | C1 | H1C | 60.0° | 120.0° |
| C3 | C2 | C1 | H1B | 60.0° | 120.0° |
| C3 | C2 | C7 | H7B | 150.8° | 103.1° |
| C3 | C2 | C7 | H7A | 89.1° | 137.3° |
| C3 | C4 | C5 | H4B | 120.4° | 120.2° |
| C3 | C4 | C5 | H4A | 120.4° | 120.1° |
| C3 | C4 | C5 | C6 | 37.7° | 49.4° |
| C4 | C3 | C2 | C7 | 8.6° | 0.5° |
| C3 | C4 | H4B | H4A | 118.7° | 119.5° |
| C3 | C4 | C5 | H5B | 157.8° | 169.2° |
| C3 | C4 | C5 | H5A | 82.3° | 70.2° |
| C4 | C5 | C6 | H5B | 120.1° | 119.7° |
| C4 | C5 | C6 | H5A | 120.1° | 119.6° |
| C4 | C5 | C6 | C7 | 62.8° | 67.4° |
| C5 | C4 | H4B | H4A | 118.7° | 119.8° |
| C4 | C5 | H5B | H5A | 119.8° | 120.5° |
| C4 | C5 | C6 | H6B | 57.4° | 52.3° |
| C4 | C5 | C6 | H6A | 177.1° | 172.9° |
| C5 | C4 | C3 | H3 | 168.1° | 162.9° |
| C5 | C6 | C7 | H6B | 120.1° | 119.7° |
| C5 | C6 | C7 | H6A | 120.2° | 119.7° |
| C5 | C6 | C7 | C2 | 57.7° | 49.5° |
| C6 | C5 | C4 | H4B | 82.7° | 169.6° |
| C6 | C5 | C4 | H4A | 158.2° | 70.7° |
| C6 | C5 | H5B | H5A | 119.8° | 120.5° |
| C5 | C6 | H6B | H6A | 119.5° | 120.5° |
| C5 | C6 | C7 | H7B | 177.7° | 70.8° |
| C5 | C6 | C7 | H7A | 62.2° | 169.6° |
| C6 | C7 | C2 | H7B | 119.9° | 120.3° |
| C6 | C7 | C2 | H7A | 119.9° | 120.2° |
| C7 | C6 | C5 | H5B | 177.1° | 172.9° |
| C7 | C6 | C5 | H5A | 57.3° | 52.2° |
| C7 | C6 | H6B | H6A | 119.5° | 120.5° |
| C6 | C7 | H7B | H7A | 120.2° | 119.6° |
| C2 | C7 | C6 | H6B | 62.4° | 70.3° |
| C2 | C7 | C6 | H6A | 177.9° | 169.2° |
| C7 | C2 | C1 | H1A | 2.1° | 180.0° |
| C7 | C2 | C1 | H1C | 122.1° | 60.1° |
| C7 | C2 | C1 | H1B | 117.9° | 59.9° |
| C7 | C2 | C3 | H3 | 171.4° | 179.5° |
| C2 | C7 | H7B | H7A | 120.2° | 119.6° |
| H4B | C4 | C5 | H5B | 37.4° | 70.7° |
| H4B | C4 | C5 | H5A | 157.3° | 50.0° |
| H4B | C4 | C3 | H3 | 71.5° | 42.7° |
| H4A | C4 | C5 | H5B | 81.8° | 49.1° |
| H4A | C4 | C5 | H5A | 38.1° | 169.7° |
| H4A | C4 | C3 | H3 | 47.6° | 76.9° |
| H5B | C5 | C6 | H6B | 62.7° | 67.4° |
| H5B | C5 | C6 | H6A | 57.0° | 53.2° |
| H5A | C5 | C6 | H6B | 177.4° | 172.0° |
| H5A | C5 | C6 | H6A | 62.9° | 67.5° |
| H6B | C6 | C7 | H7B | 57.5° | 169.5° |
| H6B | C6 | C7 | H7A | 177.7° | 49.9° |
| H6A | C6 | C7 | H7B | 62.2° | 48.9° |
| H6A | C6 | C7 | H7A | 58.0° | 70.7° |
| H1A | C1 | H1C | H1B | 120.0° | 119.9° |
