A1ADJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.50Å | 1.46Å | |
| C2 | C3 | doub | 1.30Å | 1.32Å | |
| C3 | C4 | sing | 1.50Å | 1.43Å | |
| C4 | C5 | sing | 1.50Å | 1.45Å | |
| C5 | C6 | doub | 1.30Å | 1.31Å | |
| C6 | C1 | sing | 1.50Å | 1.45Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 125.1° | 123.0° |
| C2 | C1 | C6 | 110.9° | 111.2° |
| C1 | C2 | H2 | 117.4° | 118.4° |
| C2 | C1 | H1A | 109.1° | 109.2° |
| C2 | C1 | H1B | 109.1° | 109.1° |
| C2 | C3 | C4 | 122.6° | 122.8° |
| C3 | C2 | H2 | 117.4° | 118.6° |
| C2 | C3 | H3 | 118.7° | 118.6° |
| C3 | C4 | C5 | 113.2° | 111.2° |
| C3 | C4 | H4B | 108.5° | 109.1° |
| C3 | C4 | H4A | 108.5° | 109.1° |
| C4 | C3 | H3 | 118.7° | 118.6° |
| C4 | C5 | C6 | 124.0° | 122.8° |
| C5 | C4 | H4B | 108.5° | 109.1° |
| C5 | C4 | H4A | 108.5° | 109.2° |
| C4 | C5 | H5 | 118.0° | 118.6° |
| C5 | C6 | C1 | 124.1° | 122.9° |
| C5 | C6 | H6 | 118.0° | 118.5° |
| C6 | C5 | H5 | 118.0° | 118.6° |
| C1 | C6 | H6 | 118.0° | 118.6° |
| C6 | C1 | H1A | 109.1° | 109.1° |
| C6 | C1 | H1B | 109.1° | 109.2° |
| H4B | C4 | H4A | 109.5° | 109.2° |
| H1A | C1 | H1B | 109.4° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 180.0° | 179.5° |
| C1 | C2 | C3 | C4 | 1.4° | 0.6° |
| C2 | C1 | C6 | C5 | 0.6° | 19.3° |
| C2 | C1 | C6 | H1A | 120.2° | 120.5° |
| C2 | C1 | C6 | H1B | 120.2° | 120.4° |
| C2 | C1 | C6 | H6 | 179.4° | 160.4° |
| C2 | C1 | H1A | H1B | 119.3° | 119.1° |
| C1 | C2 | C3 | H3 | 178.6° | 179.4° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 19.8° |
| C3 | C2 | C1 | C6 | 1.4° | 19.0° |
| C2 | C3 | C4 | H4B | 121.0° | 100.6° |
| C2 | C3 | C4 | H4A | 120.1° | 140.2° |
| C3 | C2 | C1 | H1A | 121.6° | 101.4° |
| C3 | C2 | C1 | H1B | 118.9° | 139.5° |
| C3 | C4 | C5 | H4B | 120.6° | 120.4° |
| C3 | C4 | C5 | H4A | 120.5° | 120.4° |
| C3 | C4 | C5 | C6 | 0.3° | 19.5° |
| C3 | C4 | H4B | H4A | 118.3° | 119.1° |
| C4 | C3 | C2 | H2 | 178.6° | 179.9° |
| C3 | C4 | C5 | H5 | 179.7° | 160.4° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C5 | C4 | H4B | H4A | 118.3° | 119.2° |
| C5 | C4 | C3 | H3 | 179.6° | 160.1° |
| C5 | C6 | C1 | H6 | 180.0° | 179.7° |
| C6 | C5 | C4 | H4B | 120.3° | 100.9° |
| C6 | C5 | C4 | H4A | 120.8° | 139.9° |
| C5 | C6 | C1 | H1A | 120.8° | 101.2° |
| C5 | C6 | C1 | H1B | 119.6° | 139.7° |
| C6 | C1 | C2 | H2 | 178.6° | 160.5° |
| C6 | C1 | H1A | H1B | 119.3° | 119.2° |
| C1 | C6 | C5 | H5 | 179.8° | 179.9° |
| H6 | C6 | C1 | H1A | 59.1° | 79.1° |
| H6 | C6 | C1 | H1B | 60.4° | 40.0° |
| H6 | C6 | C5 | H5 | 0.2° | 0.2° |
| H4B | C4 | C3 | H3 | 59.0° | 79.5° |
| H4B | C4 | C5 | H5 | 59.7° | 79.2° |
| H4A | C4 | C3 | H3 | 59.9° | 39.7° |
| H4A | C4 | C5 | H5 | 59.1° | 40.0° |
| H2 | C2 | C1 | H1A | 58.4° | 79.1° |
| H2 | C2 | C1 | H1B | 61.1° | 40.0° |
| H2 | C2 | C3 | H3 | 1.4° | 0.1° |
