33D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | C6 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | HC1 | sing | 1.09Å | 1.10Å | |
| C1 | HC2 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | HC3 | sing | 1.09Å | 1.10Å | |
| C2 | HC4 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 106.7° | 109.5° |
| O1 | C1 | HC1 | 110.4° | 109.5° |
| O1 | C1 | HC2 | 111.0° | 109.5° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 123.1° | 109.4° |
| C2 | C1 | HC1 | 110.4° | 109.5° |
| C2 | C1 | HC2 | 111.0° | 109.5° |
| C1 | C2 | HC3 | 105.2° | 109.5° |
| C1 | C2 | HC4 | 102.0° | 109.5° |
| C4 | C3 | C5 | 109.6° | 109.4° |
| C4 | C3 | C6 | 108.5° | 109.5° |
| C4 | C3 | C2 | 113.3° | 109.5° |
| C3 | C4 | H41 | 109.5° | 109.4° |
| C3 | C4 | H42 | 109.5° | 109.4° |
| C3 | C4 | H43 | 109.5° | 109.5° |
| C5 | C3 | C6 | 107.4° | 109.5° |
| C5 | C3 | C2 | 104.3° | 109.5° |
| C3 | C5 | H51 | 109.5° | 109.5° |
| C3 | C5 | H52 | 109.5° | 109.4° |
| C3 | C5 | H53 | 109.4° | 109.4° |
| C6 | C3 | C2 | 113.6° | 109.5° |
| C3 | C6 | H61 | 109.5° | 109.5° |
| C3 | C6 | H62 | 109.5° | 109.5° |
| C3 | C6 | H63 | 109.5° | 109.4° |
| C3 | C2 | HC3 | 105.1° | 109.5° |
| C3 | C2 | HC4 | 102.0° | 109.5° |
| HC1 | C1 | HC2 | 107.3° | 109.5° |
| HC3 | C2 | HC4 | 120.9° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.4° |
| H41 | C4 | H43 | 109.4° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H51 | C5 | H53 | 109.5° | 109.5° |
| H52 | C5 | H53 | 109.5° | 109.4° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.4° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | HC1 | 120.0° | 120.0° |
| O1 | C1 | C2 | HC2 | 121.1° | 120.0° |
| O1 | C1 | C2 | C3 | 143.4° | 180.0° |
| O1 | C1 | HC1 | HC2 | 121.2° | 120.0° |
| O1 | C1 | C2 | HC3 | 96.6° | 60.0° |
| O1 | C1 | C2 | HC4 | 30.3° | 60.0° |
| C1 | C2 | C3 | C4 | 53.5° | 60.0° |
| C1 | C2 | C3 | C5 | 172.5° | 60.0° |
| C1 | C2 | C3 | C6 | 70.8° | 180.0° |
| C1 | C2 | C3 | HC3 | 120.0° | 120.0° |
| C1 | C2 | C3 | HC4 | 113.0° | 120.0° |
| C2 | C1 | HC1 | HC2 | 121.1° | 120.0° |
| C2 | C1 | O1 | H1 | 33.0° | 180.0° |
| C1 | C2 | HC3 | HC4 | 114.4° | 120.0° |
| C4 | C3 | C5 | C6 | 117.7° | 120.0° |
| C4 | C3 | C5 | C2 | 121.5° | 120.0° |
| C4 | C3 | C6 | C2 | 126.9° | 120.0° |
| C4 | C3 | C2 | HC3 | 66.5° | 60.0° |
| C4 | C3 | C2 | HC4 | 166.5° | 180.0° |
| C3 | C4 | H41 | H42 | 120.0° | 119.9° |
| C3 | C4 | H41 | H43 | 120.0° | 120.0° |
| C3 | C4 | H42 | H43 | 120.0° | 120.0° |
| C4 | C3 | C5 | H51 | 116.2° | 60.0° |
| C4 | C3 | C5 | H52 | 3.8° | 180.0° |
| C4 | C3 | C5 | H53 | 123.8° | 60.1° |
| C4 | C3 | C6 | H61 | 99.6° | 60.0° |
| C4 | C3 | C6 | H62 | 20.5° | 180.0° |
| C4 | C3 | C6 | H63 | 140.4° | 60.0° |
| C5 | C3 | C6 | C2 | 114.7° | 120.0° |
| C5 | C3 | C2 | HC3 | 52.5° | 180.0° |
| C5 | C3 | C2 | HC4 | 74.4° | 60.0° |
| C5 | C3 | C4 | H41 | 106.3° | 60.1° |
| C5 | C3 | C4 | H42 | 13.7° | 180.0° |
| C5 | C3 | C4 | H43 | 133.7° | 60.0° |
| C3 | C5 | H51 | H52 | 120.0° | 120.0° |
| C3 | C5 | H51 | H53 | 120.0° | 120.0° |
| C3 | C5 | H52 | H53 | 120.0° | 119.9° |
| C5 | C3 | C6 | H61 | 142.0° | 179.9° |
| C5 | C3 | C6 | H62 | 97.9° | 60.0° |
| C5 | C3 | C6 | H63 | 22.0° | 60.0° |
| C6 | C3 | C2 | HC3 | 169.2° | 60.0° |
| C6 | C3 | C2 | HC4 | 42.2° | 60.0° |
| C6 | C3 | C4 | H41 | 136.7° | 180.0° |
| C6 | C3 | C4 | H42 | 103.3° | 60.1° |
| C6 | C3 | C4 | H43 | 16.7° | 60.0° |
| C6 | C3 | C5 | H51 | 1.5° | 60.0° |
| C6 | C3 | C5 | H52 | 121.5° | 60.1° |
| C6 | C3 | C5 | H53 | 118.5° | 180.0° |
| C3 | C6 | H61 | H62 | 120.0° | 120.0° |
| C3 | C6 | H61 | H63 | 120.0° | 119.9° |
| C3 | C6 | H62 | H63 | 120.0° | 120.0° |
| C3 | C2 | C1 | HC1 | 23.4° | 60.0° |
| C3 | C2 | C1 | HC2 | 95.5° | 60.0° |
| C3 | C2 | HC3 | HC4 | 114.3° | 120.0° |
| C2 | C3 | C4 | H41 | 9.6° | 60.0° |
| C2 | C3 | C4 | H42 | 129.7° | 60.0° |
| C2 | C3 | C4 | H43 | 110.3° | 180.0° |
| C2 | C3 | C5 | H51 | 122.3° | 180.0° |
| C2 | C3 | C5 | H52 | 117.7° | 60.0° |
| C2 | C3 | C5 | H53 | 2.3° | 60.0° |
| C2 | C3 | C6 | H61 | 27.3° | 60.0° |
| C2 | C3 | C6 | H62 | 147.3° | 60.0° |
| C2 | C3 | C6 | H63 | 92.7° | 180.0° |
| HC1 | C1 | O1 | H1 | 87.0° | 60.0° |
| HC1 | C1 | C2 | HC3 | 143.4° | 180.0° |
| HC1 | C1 | C2 | HC4 | 89.6° | 60.0° |
| HC2 | C1 | O1 | H1 | 154.1° | 60.0° |
| HC2 | C1 | C2 | HC3 | 24.5° | 60.0° |
| HC2 | C1 | C2 | HC4 | 151.4° | 180.0° |
| H41 | C4 | H42 | H43 | 119.9° | 120.0° |
| H51 | C5 | H52 | H53 | 120.0° | 120.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
