3OM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.31Å | 1.44Å | |
| O1 | C3 | sing | 1.43Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H1A | sing | 1.08Å | 1.08Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 121.6° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C2 | C1 | H1A | 120.0° | 120.0° |
| C1 | C2 | H2 | 119.2° | 120.0° |
| O1 | C3 | C2 | 108.7° | 109.5° |
| O1 | C3 | C4 | 110.1° | 109.5° |
| C3 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C3 | H3 | 108.3° | 109.5° |
| C2 | C3 | C4 | 112.9° | 109.5° |
| C3 | C2 | H2 | 119.2° | 120.0° |
| C2 | C3 | H3 | 108.6° | 109.4° |
| C3 | C4 | C5 | 114.3° | 109.5° |
| C4 | C3 | H3 | 108.2° | 109.5° |
| C3 | C4 | H4 | 108.2° | 109.5° |
| C3 | C4 | H4A | 108.2° | 109.5° |
| C4 | C5 | C6 | 110.0° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.4° |
| C5 | C4 | H4A | 108.3° | 109.5° |
| C4 | C5 | H5 | 109.4° | 109.5° |
| C4 | C5 | H5A | 109.4° | 109.5° |
| C5 | C6 | C7 | 112.5° | 109.5° |
| C6 | C5 | H5 | 109.3° | 109.5° |
| C6 | C5 | H5A | 109.3° | 109.5° |
| C5 | C6 | H6 | 108.7° | 109.5° |
| C5 | C6 | H6A | 108.7° | 109.5° |
| C6 | C7 | C8 | 111.9° | 109.5° |
| C7 | C6 | H6 | 108.7° | 109.5° |
| C7 | C6 | H6A | 108.7° | 109.4° |
| C6 | C7 | H7 | 108.9° | 109.5° |
| C6 | C7 | H7A | 108.9° | 109.5° |
| C8 | C7 | H7 | 108.8° | 109.5° |
| C8 | C7 | H7A | 108.8° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.4° | 109.5° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| H1 | C1 | H1A | 120.0° | 120.0° |
| H4 | C4 | H4A | 109.4° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.4° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O1 | 180.0° | 5.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 57.6° | 125.0° |
| C2 | C1 | H1 | H1A | 179.9° | 179.7° |
| C1 | C2 | C3 | H3 | 62.3° | 115.0° |
| O1 | C3 | C2 | C4 | 122.4° | 120.0° |
| O1 | C3 | C2 | H3 | 117.6° | 120.0° |
| O1 | C3 | C4 | H3 | 118.2° | 120.0° |
| O1 | C3 | C4 | C5 | 51.1° | 65.0° |
| O1 | C3 | C2 | H2 | 0.0° | 175.0° |
| O1 | C3 | C4 | H4 | 69.6° | 55.0° |
| O1 | C3 | C4 | H4A | 171.9° | 175.0° |
| C2 | C3 | C4 | H3 | 120.2° | 119.9° |
| C2 | C3 | C4 | C5 | 172.7° | 175.0° |
| C3 | C2 | C1 | H1 | 0.0° | 180.0° |
| C3 | C2 | C1 | H1A | 180.0° | 0.3° |
| C2 | C3 | O1 | HO1 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 52.0° | 65.0° |
| C2 | C3 | C4 | H4A | 66.5° | 55.0° |
| C3 | C4 | C5 | H4 | 120.7° | 120.0° |
| C3 | C4 | C5 | H4A | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | C3 | O1 | HO1 | 55.9° | 60.0° |
| C4 | C3 | C2 | H2 | 122.4° | 55.0° |
| C3 | C4 | H4 | H4A | 117.8° | 120.0° |
| C3 | C4 | C5 | H5 | 60.1° | 60.0° |
| C3 | C4 | C5 | H5A | 59.7° | 59.9° |
| C4 | C5 | C6 | H5 | 120.1° | 120.0° |
| C4 | C5 | C6 | H5A | 120.1° | 120.1° |
| C4 | C5 | C6 | C7 | 179.6° | 179.9° |
| C5 | C4 | C3 | H3 | 67.1° | 55.1° |
| C5 | C4 | H4 | H4A | 117.8° | 120.0° |
| C4 | C5 | H5 | H5A | 119.8° | 120.0° |
| C4 | C5 | C6 | H6 | 59.1° | 60.0° |
| C4 | C5 | C6 | H6A | 59.9° | 60.0° |
| C5 | C6 | C7 | H6 | 120.4° | 120.0° |
| C5 | C6 | C7 | H6A | 120.5° | 120.0° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C6 | C5 | C4 | H4 | 59.1° | 60.0° |
| C6 | C5 | C4 | H4A | 59.5° | 60.0° |
| C6 | C5 | H5 | H5A | 119.7° | 120.0° |
| C5 | C6 | H6 | H6A | 118.6° | 120.0° |
| C5 | C6 | C7 | H7 | 59.7° | 60.0° |
| C5 | C6 | C7 | H7A | 59.6° | 60.0° |
| C6 | C7 | C8 | H7 | 120.4° | 120.1° |
| C6 | C7 | C8 | H7A | 120.4° | 120.0° |
| C7 | C6 | C5 | H5 | 60.3° | 60.0° |
| C7 | C6 | C5 | H5A | 59.5° | 60.0° |
| C7 | C6 | H6 | H6A | 118.6° | 120.0° |
| C6 | C7 | H7 | H7A | 118.9° | 120.0° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8A | 60.0° | 60.0° |
| C6 | C7 | C8 | H8B | 60.0° | 60.0° |
| C8 | C7 | C6 | H6 | 59.5° | 60.0° |
| C8 | C7 | C6 | H6A | 59.6° | 60.0° |
| C8 | C7 | H7 | H7A | 118.9° | 120.0° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.1° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 180.0° | 0.0° |
| H1A | C1 | C2 | H2 | 0.1° | 179.7° |
| HO1 | O1 | C3 | H3 | 62.2° | 179.9° |
| H2 | C2 | C3 | H3 | 117.6° | 65.0° |
| H3 | C3 | C4 | H4 | 172.2° | 175.0° |
| H3 | C3 | C4 | H4A | 53.6° | 64.9° |
| H4 | C4 | C5 | H5 | 179.2° | 180.0° |
| H4 | C4 | C5 | H5A | 61.0° | 60.1° |
| H4A | C4 | C5 | H5 | 60.6° | 60.0° |
| H4A | C4 | C5 | H5A | 179.5° | 180.0° |
| H5 | C5 | C6 | H6 | 179.2° | 180.0° |
| H5 | C5 | C6 | H6A | 60.2° | 60.0° |
| H5A | C5 | C6 | H6 | 61.0° | 60.0° |
| H5A | C5 | C6 | H6A | 180.0° | 180.0° |
| H6 | C6 | C7 | H7 | 179.9° | NaN° |
| H6 | C6 | C7 | H7A | 60.9° | 60.0° |
| H6A | C6 | C7 | H7 | 60.8° | 60.0° |
| H6A | C6 | C7 | H7A | 180.0° | 180.0° |
| H7 | C7 | C8 | H8 | 59.6° | 60.0° |
| H7 | C7 | C8 | H8A | 179.6° | 180.0° |
| H7 | C7 | C8 | H8B | 60.4° | 60.1° |
| H7A | C7 | C8 | H8 | 59.7° | 60.0° |
| H7A | C7 | C8 | H8A | 60.3° | 60.0° |
| H7A | C7 | C8 | H8B | 179.6° | 180.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
