M8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.42Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| C3 | O3 | sing | 1.42Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.50Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | O6A | doub | 1.22Å | 1.23Å | |
| C6 | O6B | sing | 1.36Å | 1.45Å | |
| O6B | CH3 | sing | 1.43Å | 1.42Å | |
| CH3 | HH31 | sing | 1.09Å | 1.10Å | |
| CH3 | HH32 | sing | 1.09Å | 1.10Å | |
| CH3 | HH33 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | C2 | 110.4° | 110.7° |
| O5 | C1 | O1 | 110.3° | 111.8° |
| O5 | C1 | H1 | 108.1° | 108.0° |
| C1 | O5 | C5 | 114.1° | 113.1° |
| C2 | C1 | O1 | 109.1° | 110.0° |
| C2 | C1 | H1 | 109.4° | 109.8° |
| C1 | C2 | O2 | 109.5° | 109.1° |
| C1 | C2 | C3 | 110.6° | 110.8° |
| C1 | C2 | H2 | 108.7° | 109.9° |
| O1 | C1 | H1 | 109.5° | 106.5° |
| C1 | O1 | HO1 | 109.5° | 106.4° |
| O2 | C2 | C3 | 109.5° | 110.6° |
| O2 | C2 | H2 | 109.9° | 107.1° |
| C2 | O2 | HO2 | 109.5° | 106.6° |
| C3 | C2 | H2 | 108.7° | 109.4° |
| C2 | C3 | O3 | 110.2° | 110.5° |
| C2 | C3 | C4 | 110.3° | 110.1° |
| C2 | C3 | H3 | 108.7° | 110.2° |
| O3 | C3 | C4 | 110.5° | 108.8° |
| O3 | C3 | H3 | 108.6° | 106.8° |
| C3 | O3 | HO3 | 109.5° | 106.6° |
| C4 | C3 | H3 | 108.5° | 110.5° |
| C3 | C4 | O4 | 109.5° | 109.2° |
| C3 | C4 | C5 | 110.0° | 109.6° |
| C3 | C4 | H4 | 109.2° | 110.9° |
| C4 | O4 | HO4 | 109.5° | 106.3° |
| O4 | C4 | C5 | 109.6° | 108.8° |
| O4 | C4 | H4 | 109.5° | 106.7° |
| O5 | C5 | C6 | 109.0° | 105.8° |
| O5 | C5 | C4 | 109.6° | 111.4° |
| O5 | C5 | H5 | 110.6° | 109.7° |
| C6 | C5 | C4 | 111.9° | 111.4° |
| C6 | C5 | H5 | 108.2° | 107.1° |
| C5 | C6 | O6A | 121.4° | 124.1° |
| C5 | C6 | O6B | 119.0° | 109.5° |
| C4 | C5 | H5 | 107.6° | 111.2° |
| C5 | C4 | H4 | 109.1° | 111.6° |
| O6A | C6 | O6B | 119.6° | 126.4° |
| C6 | O6B | CH3 | 119.5° | 115.4° |
| O6B | CH3 | HH31 | 109.5° | 109.5° |
| O6B | CH3 | HH32 | 109.5° | 109.6° |
| O6B | CH3 | HH33 | 109.4° | 109.0° |
| HH31 | CH3 | HH32 | 109.4° | 110.1° |
| HH31 | CH3 | HH33 | 109.5° | 109.3° |
| HH32 | CH3 | HH33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C2 | O1 | 121.3° | 124.0° |
| O5 | C1 | C2 | H1 | 118.9° | 119.0° |
| O5 | C1 | O1 | H1 | 118.9° | 117.7° |
| O5 | C1 | C2 | O2 | 175.0° | 176.8° |
| O5 | C1 | C2 | C3 | 54.3° | 54.9° |
| O5 | C1 | C2 | H2 | 64.9° | 66.0° |
| C1 | O5 | C5 | C6 | 176.3° | 178.1° |
| C1 | O5 | C5 | C4 | 61.0° | 60.6° |
| C1 | O5 | C5 | H5 | 57.5° | 62.9° |
| O5 | C1 | O1 | HO1 | 138.3° | 164.1° |
| C2 | C1 | O1 | H1 | 119.7° | 118.9° |
| C1 | C2 | O2 | C3 | 121.4° | 122.0° |
| C1 | C2 | O2 | H2 | 119.3° | 118.9° |
| C1 | C2 | C3 | H2 | 119.2° | 121.3° |
| C1 | C2 | C3 | O3 | 175.1° | 173.0° |
| C1 | C2 | C3 | C4 | 52.9° | 52.8° |
| C1 | C2 | C3 | H3 | 66.0° | 69.2° |
| C2 | C1 | O5 | C5 | 59.7° | 59.2° |
| C1 | C2 | O2 | HO2 | 96.4° | 141.5° |
| C2 | C1 | O1 | HO1 | 100.3° | 72.6° |
| O1 | C1 | C2 | O2 | 53.7° | 52.8° |
| O1 | C1 | C2 | C3 | 67.0° | 69.1° |
| O1 | C1 | C2 | H2 | 173.7° | 169.9° |
| O1 | C1 | O5 | C5 | 60.9° | 63.8° |
| H1 | C1 | C2 | O2 | 66.1° | 64.1° |
| H1 | C1 | C2 | C3 | 173.2° | 174.0° |
| H1 | C1 | C2 | H2 | 54.0° | 53.0° |
| H1 | C1 | O5 | C5 | 179.4° | 179.3° |
| H1 | C1 | O1 | HO1 | 19.4° | 46.4° |
| O2 | C2 | C3 | H2 | 120.1° | 117.7° |
| O2 | C2 | C3 | O3 | 64.2° | 66.0° |
| O2 | C2 | C3 | C4 | 173.6° | 173.9° |
| O2 | C2 | C3 | H3 | 54.7° | 51.8° |
| C2 | C3 | O3 | C4 | 122.2° | 120.9° |
| C2 | C3 | O3 | H3 | 119.0° | 119.8° |
| C2 | C3 | C4 | H3 | 119.0° | 121.9° |
| C2 | C3 | C4 | O4 | 66.4° | 65.9° |
| C2 | C3 | C4 | C5 | 54.1° | 53.1° |
| C2 | C3 | C4 | H4 | 173.7° | 176.8° |
| C2 | C3 | O3 | HO3 | 123.2° | 83.3° |
| C3 | C2 | O2 | HO2 | 142.2° | 96.5° |
| H2 | C2 | C3 | O3 | 55.9° | 51.7° |
| H2 | C2 | C3 | C4 | 66.4° | 68.5° |
| H2 | C2 | C3 | H3 | 174.8° | 169.5° |
| H2 | C2 | O2 | HO2 | 22.9° | 22.6° |
| O3 | C3 | C4 | H3 | 118.9° | 117.0° |
| O3 | C3 | C4 | O4 | 55.7° | 55.2° |
| O3 | C3 | C4 | C5 | 176.2° | 174.3° |
| O3 | C3 | C4 | H4 | 64.2° | 62.0° |
| C3 | C4 | O4 | C5 | 120.7° | 119.6° |
| C3 | C4 | O4 | H4 | 119.7° | 119.9° |
| C3 | C4 | O4 | HO4 | 134.9° | 5.5° |
| C3 | C4 | C5 | O5 | 56.9° | 56.6° |
| C3 | C4 | C5 | C6 | 177.8° | 174.6° |
| C3 | C4 | C5 | H4 | 119.7° | 123.2° |
| C3 | C4 | C5 | H5 | 63.4° | 66.0° |
| C4 | C3 | O3 | HO3 | 114.6° | 37.6° |
| H3 | C3 | C4 | O4 | 174.6° | 172.2° |
| H3 | C3 | C4 | C5 | 64.9° | 68.8° |
| H3 | C3 | C4 | H4 | 54.8° | 54.9° |
| H3 | C3 | O3 | HO3 | 4.2° | 156.9° |
| O4 | C4 | C5 | O5 | 63.6° | 62.6° |
| O4 | C4 | C5 | C6 | 57.4° | 55.3° |
| O4 | C4 | C5 | H4 | 119.9° | 117.5° |
| O4 | C4 | C5 | H5 | 176.2° | 174.7° |
| HO4 | O4 | C4 | C5 | 104.4° | 125.0° |
| HO4 | O4 | C4 | H4 | 15.3° | 114.4° |
| O5 | C5 | C6 | C4 | 121.4° | 121.2° |
| O5 | C5 | C6 | H5 | 120.3° | 117.0° |
| O5 | C5 | C4 | H5 | 120.3° | 122.7° |
| O5 | C5 | C6 | O6A | 16.2° | 3.1° |
| O5 | C5 | C6 | O6B | 164.2° | 177.0° |
| O5 | C5 | C4 | H4 | 176.6° | 179.9° |
| C6 | C5 | C4 | H5 | 118.7° | 119.4° |
| C5 | C6 | O6A | O6B | 179.6° | 179.9° |
| C5 | C6 | O6B | CH3 | 165.5° | 180.0° |
| C6 | C5 | C4 | H4 | 62.5° | 62.2° |
| C4 | C5 | C6 | O6A | 137.6° | 118.2° |
| C4 | C5 | C6 | O6B | 42.9° | 61.7° |
| H5 | C5 | C6 | O6A | 104.1° | 120.0° |
| H5 | C5 | C6 | O6B | 75.5° | 60.1° |
| H5 | C5 | C4 | H4 | 56.3° | 57.2° |
| O6A | C6 | O6B | CH3 | 14.9° | 0.1° |
| C6 | O6B | CH3 | HH31 | 140.0° | 172.5° |
| C6 | O6B | CH3 | HH32 | 100.0° | 66.7° |
| C6 | O6B | CH3 | HH33 | 20.0° | 52.9° |
| O6B | CH3 | HH31 | HH32 | 120.0° | 120.5° |
| O6B | CH3 | HH31 | HH33 | 120.0° | 119.4° |
| O6B | CH3 | HH32 | HH33 | 120.0° | 119.4° |
| HH31 | CH3 | HH32 | HH33 | 120.0° | 120.1° |
