A1ADK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.50Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.50Å | 1.48Å | |
| C1 | C6 | doub | 1.29Å | 1.31Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.0° | 110.2° |
| C2 | C1 | C6 | 122.3° | 124.1° |
| C2 | C1 | H1 | 118.8° | 118.0° |
| C1 | C2 | H2A | 109.1° | 109.3° |
| C1 | C2 | H2B | 109.1° | 109.4° |
| C2 | C3 | C4 | 113.7° | 108.5° |
| C3 | C2 | H2A | 109.1° | 109.3° |
| C3 | C2 | H2B | 109.1° | 109.4° |
| C2 | C3 | H3A | 108.4° | 109.7° |
| C2 | C3 | H3B | 108.4° | 109.6° |
| C3 | C4 | C5 | 118.4° | 108.4° |
| C3 | C4 | H4A | 107.2° | 109.7° |
| C3 | C4 | H4B | 107.2° | 109.8° |
| C4 | C3 | H3A | 108.4° | 109.7° |
| C4 | C3 | H3B | 108.4° | 109.6° |
| C4 | C5 | C6 | 111.7° | 110.2° |
| C4 | C5 | H5A | 108.9° | 109.3° |
| C4 | C5 | H5B | 108.9° | 109.3° |
| C5 | C4 | H4A | 107.2° | 109.7° |
| C5 | C4 | H4B | 107.2° | 109.6° |
| C5 | C6 | C1 | 122.5° | 124.0° |
| C5 | C6 | H6 | 118.8° | 118.0° |
| C6 | C5 | H5A | 108.9° | 109.3° |
| C6 | C5 | H5B | 108.9° | 109.4° |
| C6 | C1 | H1 | 118.9° | 117.9° |
| C1 | C6 | H6 | 118.7° | 118.0° |
| H2A | C2 | H2B | 109.5° | 109.2° |
| H5A | C5 | H5B | 109.5° | 109.3° |
| H4A | C4 | H4B | 109.5° | 109.7° |
| H3A | C3 | H3B | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2A | 120.2° | 120.2° |
| C1 | C2 | C3 | H2B | 120.2° | 120.3° |
| C1 | C2 | C3 | C4 | 43.9° | 49.4° |
| C2 | C1 | C6 | C5 | 7.0° | 0.4° |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C1 | C2 | H2A | H2B | 119.3° | 119.7° |
| C2 | C1 | C6 | H6 | 173.1° | 179.6° |
| C1 | C2 | C3 | H3A | 76.7° | 169.1° |
| C1 | C2 | C3 | H3B | 164.5° | 70.3° |
| C2 | C3 | C4 | H3A | 120.6° | 119.7° |
| C2 | C3 | C4 | H3B | 120.6° | 119.7° |
| C2 | C3 | C4 | C5 | 18.4° | 67.4° |
| C3 | C2 | C1 | C6 | 33.7° | 17.1° |
| C3 | C2 | C1 | H1 | 146.3° | 162.6° |
| C3 | C2 | H2A | H2B | 119.3° | 119.6° |
| C2 | C3 | C4 | H4A | 139.6° | 172.9° |
| C2 | C3 | C4 | H4B | 102.9° | 52.4° |
| C2 | C3 | H3A | H3B | 118.1° | 120.5° |
| C3 | C4 | C5 | H4A | 121.2° | 119.7° |
| C3 | C4 | C5 | H4B | 121.3° | 119.9° |
| C3 | C4 | C5 | C6 | 19.1° | 49.4° |
| C4 | C3 | C2 | H2A | 164.2° | 70.8° |
| C4 | C3 | C2 | H2B | 76.3° | 169.7° |
| C3 | C4 | C5 | H5A | 139.4° | 70.8° |
| C3 | C4 | C5 | H5B | 101.3° | 169.6° |
| C3 | C4 | H4A | H4B | 115.9° | 120.6° |
| C4 | C3 | H3A | H3B | 118.1° | 120.5° |
| C4 | C5 | C6 | H5A | 120.3° | 120.2° |
| C4 | C5 | C6 | H5B | 120.4° | 120.1° |
| C4 | C5 | C6 | C1 | 34.0° | 17.1° |
| C4 | C5 | C6 | H6 | 146.0° | 162.9° |
| C4 | C5 | H5A | H5B | 119.0° | 119.6° |
| C5 | C4 | H4A | H4B | 116.0° | 120.4° |
| C5 | C4 | C3 | H3A | 102.3° | 172.9° |
| C5 | C4 | C3 | H3B | 139.0° | 52.3° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 173.1° | 179.2° |
| C6 | C5 | H5A | H5B | 119.0° | 119.8° |
| C6 | C5 | C4 | H4A | 102.2° | 169.1° |
| C6 | C5 | C4 | H4B | 140.3° | 70.5° |
| C6 | C1 | C2 | H2A | 153.9° | 103.1° |
| C6 | C1 | C2 | H2B | 86.5° | 137.3° |
| C1 | C6 | C5 | H5A | 154.3° | 103.1° |
| C1 | C6 | C5 | H5B | 86.4° | 137.2° |
| H1 | C1 | C2 | H2A | 26.0° | 77.3° |
| H1 | C1 | C2 | H2B | 93.5° | 42.3° |
| H1 | C1 | C6 | H6 | 6.9° | 0.8° |
| H2A | C2 | C3 | H3A | 43.6° | 48.9° |
| H2A | C2 | C3 | H3B | 75.2° | 169.5° |
| H2B | C2 | C3 | H3A | 163.1° | 70.6° |
| H2B | C2 | C3 | H3B | 44.3° | 50.0° |
| H6 | C6 | C5 | H5A | 25.7° | 77.0° |
| H6 | C6 | C5 | H5B | 93.6° | 42.8° |
| H5A | C5 | C4 | H4A | 18.1° | 48.9° |
| H5A | C5 | C4 | H4B | 99.3° | 169.3° |
| H5B | C5 | C4 | H4A | 137.5° | 70.7° |
| H5B | C5 | C4 | H4B | 20.0° | 49.7° |
| H4A | C4 | C3 | H3A | 19.0° | 53.2° |
| H4A | C4 | C3 | H3B | 99.8° | 67.4° |
| H4B | C4 | C3 | H3A | 136.4° | 67.4° |
| H4B | C4 | C3 | H3B | 17.7° | 172.1° |
