DC1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C6 | sing | 1.52Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C7 | sing | 1.53Å | 1.52Å | |
| C3 | C8 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.52Å | 1.51Å | |
| C5 | O2 | doub | 1.21Å | 1.22Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C7 | H7C3 | sing | 1.09Å | 1.10Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| C8 | H8C3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.1° | 118.1° |
| C2 | C1 | O1 | 120.2° | 121.0° |
| C1 | C2 | C3 | 114.0° | 109.0° |
| C1 | C2 | H2C1 | 107.0° | 109.6° |
| C1 | C2 | H2C2 | 108.0° | 109.5° |
| C6 | C1 | O1 | 120.7° | 120.9° |
| C1 | C6 | C5 | 115.3° | 107.4° |
| C1 | C6 | H6C1 | 106.3° | 109.9° |
| C1 | C6 | H6C2 | 107.6° | 109.8° |
| C3 | C2 | H2C1 | 107.0° | 109.6° |
| C3 | C2 | H2C2 | 108.0° | 109.5° |
| C2 | C3 | C4 | 110.2° | 109.6° |
| C2 | C3 | C7 | 108.1° | 109.5° |
| C2 | C3 | C8 | 110.2° | 109.4° |
| H2C1 | C2 | H2C2 | 113.1° | 109.6° |
| C4 | C3 | C7 | 108.7° | 109.4° |
| C4 | C3 | C8 | 110.5° | 109.4° |
| C3 | C4 | C5 | 113.3° | 109.1° |
| C3 | C4 | H4C1 | 107.3° | 109.5° |
| C3 | C4 | H4C2 | 108.2° | 109.5° |
| C7 | C3 | C8 | 109.0° | 109.5° |
| C3 | C7 | H7C1 | 109.5° | 109.5° |
| C3 | C7 | H7C2 | 109.5° | 109.5° |
| C3 | C7 | H7C3 | 109.5° | 109.5° |
| C3 | C8 | H8C1 | 109.5° | 109.4° |
| C3 | C8 | H8C2 | 109.5° | 109.5° |
| C3 | C8 | H8C3 | 109.5° | 109.4° |
| C5 | C4 | H4C1 | 107.4° | 109.6° |
| C5 | C4 | H4C2 | 108.2° | 109.5° |
| C4 | C5 | C6 | 117.8° | 118.1° |
| C4 | C5 | O2 | 121.3° | 121.0° |
| H4C1 | C4 | H4C2 | 112.5° | 109.6° |
| C6 | C5 | O2 | 120.9° | 120.9° |
| C5 | C6 | H6C1 | 106.2° | 109.9° |
| C5 | C6 | H6C2 | 107.6° | 109.9° |
| H6C1 | C6 | H6C2 | 114.1° | 110.0° |
| H7C1 | C7 | H7C2 | 109.5° | 109.5° |
| H7C1 | C7 | H7C3 | 109.5° | 109.5° |
| H7C2 | C7 | H7C3 | 109.4° | 109.4° |
| H8C1 | C8 | H8C2 | 109.5° | 109.5° |
| H8C1 | C8 | H8C3 | 109.4° | 109.5° |
| H8C2 | C8 | H8C3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 179.3° | 180.0° |
| C1 | C2 | C3 | H2C1 | 118.0° | 119.9° |
| C1 | C2 | C3 | H2C2 | 120.0° | 119.8° |
| C1 | C2 | H2C1 | H2C2 | 118.8° | 120.2° |
| C1 | C2 | C3 | C4 | 46.1° | 58.3° |
| C1 | C2 | C3 | C7 | 164.8° | 61.7° |
| C1 | C2 | C3 | C8 | 76.2° | 178.3° |
| C2 | C1 | C6 | C5 | 33.6° | 46.5° |
| C2 | C1 | C6 | H6C1 | 150.9° | 73.0° |
| C2 | C1 | C6 | H6C2 | 86.4° | 165.9° |
| C6 | C1 | C2 | C3 | 1.9° | 54.8° |
| C6 | C1 | C2 | H2C1 | 119.9° | 65.1° |
| C6 | C1 | C2 | H2C2 | 118.1° | 174.6° |
| C1 | C6 | C5 | C4 | 22.7° | 46.4° |
| C1 | C6 | C5 | H6C1 | 117.4° | 119.5° |
| C1 | C6 | C5 | H6C2 | 120.0° | 119.4° |
| C1 | C6 | C5 | O2 | 157.9° | 133.6° |
| C1 | C6 | H6C1 | H6C2 | 118.4° | 121.0° |
| O1 | C1 | C2 | C3 | 177.4° | 125.2° |
| O1 | C1 | C2 | H2C1 | 59.4° | 114.9° |
| O1 | C1 | C2 | H2C2 | 62.6° | 5.4° |
| O1 | C1 | C6 | C5 | 147.2° | 133.5° |
| O1 | C1 | C6 | H6C1 | 29.8° | 107.0° |
| O1 | C1 | C6 | H6C2 | 92.8° | 14.1° |
| C3 | C2 | H2C1 | H2C2 | 118.7° | 120.2° |
| C2 | C3 | C4 | C7 | 118.3° | 120.1° |
| C2 | C3 | C4 | C8 | 122.1° | 120.0° |
| C2 | C3 | C7 | C8 | 119.8° | 120.0° |
| C2 | C3 | C4 | C5 | 56.8° | 58.3° |
| C2 | C3 | C4 | H4C1 | 175.1° | 178.2° |
| C2 | C3 | C4 | H4C2 | 63.3° | 61.5° |
| C2 | C3 | C7 | H7C1 | 32.7° | 179.9° |
| C2 | C3 | C7 | H7C2 | 152.7° | 60.0° |
| C2 | C3 | C7 | H7C3 | 87.4° | 60.0° |
| C2 | C3 | C8 | H8C1 | 27.8° | 60.0° |
| C2 | C3 | C8 | H8C2 | 147.8° | 60.0° |
| C2 | C3 | C8 | H8C3 | 92.1° | 179.9° |
| H2C1 | C2 | C3 | C4 | 164.1° | 61.6° |
| H2C1 | C2 | C3 | C7 | 77.2° | 178.4° |
| H2C1 | C2 | C3 | C8 | 41.9° | 58.4° |
| H2C2 | C2 | C3 | C4 | 73.8° | 178.1° |
| H2C2 | C2 | C3 | C7 | 44.8° | 58.1° |
| H2C2 | C2 | C3 | C8 | 163.9° | 61.9° |
| C4 | C3 | C7 | C8 | 120.5° | 119.9° |
| C3 | C4 | C5 | H4C1 | 118.3° | 119.9° |
| C3 | C4 | C5 | H4C2 | 120.0° | 119.9° |
| C3 | C4 | H4C1 | H4C2 | 118.9° | 120.2° |
| C3 | C4 | C5 | C6 | 22.0° | 54.8° |
| C3 | C4 | C5 | O2 | 157.5° | 125.2° |
| C4 | C3 | C7 | H7C1 | 87.0° | 59.9° |
| C4 | C3 | C7 | H7C2 | 33.0° | 60.1° |
| C4 | C3 | C7 | H7C3 | 153.0° | 179.9° |
| C4 | C3 | C8 | H8C1 | 149.9° | 180.0° |
| C4 | C3 | C8 | H8C2 | 90.1° | 60.1° |
| C4 | C3 | C8 | H8C3 | 30.0° | 60.0° |
| C7 | C3 | C4 | C5 | 175.1° | 61.7° |
| C7 | C3 | C4 | H4C1 | 66.6° | 58.2° |
| C7 | C3 | C4 | H4C2 | 55.1° | 178.4° |
| C3 | C7 | H7C1 | H7C2 | 120.0° | 120.1° |
| C3 | C7 | H7C1 | H7C3 | 120.1° | 120.0° |
| C3 | C7 | H7C2 | H7C3 | 120.0° | 120.0° |
| C7 | C3 | C8 | H8C1 | 90.7° | 60.0° |
| C7 | C3 | C8 | H8C2 | 29.3° | 180.0° |
| C7 | C3 | C8 | H8C3 | 149.4° | 60.0° |
| C8 | C3 | C4 | C5 | 65.3° | 178.3° |
| C8 | C3 | C4 | H4C1 | 53.0° | 61.8° |
| C8 | C3 | C4 | H4C2 | 174.6° | 58.5° |
| C8 | C3 | C7 | H7C1 | 152.5° | 60.0° |
| C8 | C3 | C7 | H7C2 | 87.5° | 180.0° |
| C8 | C3 | C7 | H7C3 | 32.5° | 60.0° |
| C3 | C8 | H8C1 | H8C2 | 120.0° | 120.0° |
| C3 | C8 | H8C1 | H8C3 | 120.0° | 119.9° |
| C3 | C8 | H8C2 | H8C3 | 120.1° | 120.0° |
| C5 | C4 | H4C1 | H4C2 | 119.0° | 120.2° |
| C4 | C5 | C6 | O2 | 179.5° | 180.0° |
| C4 | C5 | C6 | H6C1 | 140.1° | 73.0° |
| C4 | C5 | C6 | H6C2 | 97.3° | 165.8° |
| H4C1 | C4 | C5 | C6 | 140.3° | 174.7° |
| H4C1 | C4 | C5 | O2 | 39.2° | 5.3° |
| H4C2 | C4 | C5 | C6 | 98.1° | 65.1° |
| H4C2 | C4 | C5 | O2 | 82.5° | 114.9° |
| C5 | C6 | H6C1 | H6C2 | 118.3° | 121.1° |
| O2 | C5 | C6 | H6C1 | 40.5° | 106.9° |
| O2 | C5 | C6 | H6C2 | 82.1° | 14.2° |
| H7C1 | C7 | H7C2 | H7C3 | 120.0° | 120.0° |
| H8C1 | C8 | H8C2 | H8C3 | 119.9° | 120.1° |
