R0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O1 | doub | 1.22Å | 1.21Å | |
| C7 | C6 | sing | 1.42Å | 1.47Å | |
| C6 | C5 | doub | 1.35Å | 1.33Å | |
| C5 | C4 | sing | 1.46Å | 1.46Å | |
| C4 | C3 | doub | 1.33Å | 1.33Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C7 | O2 | sing | 1.35Å | 1.33Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C7 | C6 | 119.1° | 120.0° |
| O1 | C7 | O2 | 121.6° | 120.0° |
| C7 | C6 | C5 | 119.3° | 120.0° |
| C6 | C7 | O2 | 119.3° | 120.0° |
| C7 | C6 | H2 | 120.4° | 120.0° |
| C6 | C5 | C4 | 120.6° | 120.0° |
| C6 | C5 | H1 | 119.7° | 120.0° |
| C5 | C6 | H2 | 120.3° | 120.0° |
| C5 | C4 | C3 | 118.2° | 120.0° |
| C4 | C5 | H1 | 119.7° | 120.0° |
| C5 | C4 | H5 | 120.9° | 120.0° |
| C4 | C3 | C2 | 120.2° | 120.0° |
| C3 | C4 | H5 | 120.9° | 120.0° |
| C4 | C3 | H9 | 119.8° | 120.0° |
| C3 | C2 | C1 | 108.8° | 109.5° |
| C3 | C2 | H3 | 109.7° | 109.4° |
| C3 | C2 | H4 | 109.6° | 109.4° |
| C2 | C3 | H9 | 119.9° | 120.0° |
| C1 | C2 | H3 | 109.7° | 109.5° |
| C1 | C2 | H4 | 109.6° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C7 | O2 | H10 | 109.5° | 114.0° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.4° |
| H7 | C1 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | C6 | O2 | 179.3° | 179.9° |
| O1 | C7 | C6 | C5 | 4.5° | 0.1° |
| O1 | C7 | C6 | H2 | 175.5° | 180.0° |
| O1 | C7 | O2 | H10 | 0.0° | 0.1° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 179.5° | 180.0° |
| C7 | C6 | C5 | H1 | 0.6° | 0.4° |
| C6 | C7 | O2 | H10 | 179.3° | 180.0° |
| C6 | C5 | C4 | H1 | 180.0° | 179.6° |
| C6 | C5 | C4 | C3 | 172.1° | 179.7° |
| C5 | C6 | C7 | O2 | 176.2° | 180.0° |
| C6 | C5 | C4 | H5 | 7.9° | 0.4° |
| C5 | C4 | C3 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 179.3° | 180.0° |
| C4 | C5 | C6 | H2 | 0.6° | 0.1° |
| C5 | C4 | C3 | H9 | 0.7° | 0.0° |
| C4 | C3 | C2 | H9 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 117.9° | 125.0° |
| C3 | C4 | C5 | H1 | 7.9° | 0.1° |
| C4 | C3 | C2 | H3 | 122.2° | 5.0° |
| C4 | C3 | C2 | H4 | 2.0° | 115.0° |
| C3 | C2 | C1 | H3 | 119.9° | 119.9° |
| C3 | C2 | C1 | H4 | 119.9° | 120.0° |
| C3 | C2 | H3 | H4 | 120.3° | 119.9° |
| C2 | C3 | C4 | H5 | 0.7° | 0.0° |
| C3 | C2 | C1 | H6 | 180.0° | 60.1° |
| C3 | C2 | C1 | H7 | 60.0° | 60.0° |
| C3 | C2 | C1 | H8 | 60.0° | 180.0° |
| C1 | C2 | H3 | H4 | 120.3° | 120.1° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | C3 | H9 | 62.1° | 55.0° |
| O2 | C7 | C6 | H2 | 3.8° | 0.1° |
| H1 | C5 | C6 | H2 | 179.4° | 179.7° |
| H1 | C5 | C4 | H5 | 172.1° | NaN° |
| H3 | C2 | C1 | H6 | 60.1° | 59.9° |
| H3 | C2 | C1 | H7 | 179.9° | 180.0° |
| H3 | C2 | C1 | H8 | 59.9° | 60.0° |
| H3 | C2 | C3 | H9 | 57.8° | 175.0° |
| H4 | C2 | C1 | H6 | 60.1° | 180.0° |
| H4 | C2 | C1 | H7 | 59.9° | 60.0° |
| H4 | C2 | C1 | H8 | 179.8° | 60.0° |
| H4 | C2 | C3 | H9 | 178.0° | 65.0° |
| H5 | C4 | C3 | H9 | 179.3° | 179.9° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
