8MV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.41Å | 1.50Å | |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | O6 | sing | 1.35Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.43Å | Aromatic |
| O6 | C5 | sing | 1.34Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.36Å | Aromatic |
| O10 | C9 | doub | 1.21Å | 1.22Å | |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| O8 | C9 | sing | 1.34Å | 1.36Å | |
| O8 | C7 | sing | 1.45Å | 1.46Å | |
| C9 | C11 | sing | 1.51Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.21Å | 1.37Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 122.0° | 126.1° |
| C1 | C2 | O6 | 121.8° | 126.2° |
| C2 | C1 | H1 | 115.7° | 120.0° |
| C2 | C1 | O1 | 128.5° | 120.0° |
| C3 | C2 | O6 | 116.2° | 107.7° |
| C2 | C3 | C4 | 99.0° | 106.6° |
| C2 | C3 | H4 | 130.5° | 126.7° |
| C2 | O6 | C5 | 100.9° | 109.5° |
| C3 | C4 | C5 | 111.3° | 107.2° |
| C4 | C3 | H4 | 130.5° | 126.7° |
| C3 | C4 | H5 | 124.3° | 126.4° |
| O6 | C5 | C4 | 112.4° | 109.0° |
| O6 | C5 | C7 | 119.1° | 125.5° |
| C4 | C5 | C7 | 128.5° | 125.5° |
| C5 | C4 | H5 | 124.3° | 126.4° |
| O10 | C9 | O8 | 123.3° | 120.0° |
| O10 | C9 | C11 | 120.8° | 120.0° |
| C5 | C7 | O8 | 109.3° | 109.5° |
| C5 | C7 | H6 | 109.5° | 109.5° |
| C5 | C7 | H7 | 109.5° | 109.5° |
| C9 | O8 | C7 | 115.4° | 117.0° |
| O8 | C9 | C11 | 115.9° | 120.0° |
| O8 | C7 | H6 | 109.5° | 109.4° |
| O8 | C7 | H7 | 109.5° | 109.5° |
| C9 | C11 | H8 | 109.5° | 109.4° |
| C9 | C11 | H9 | 109.5° | 109.4° |
| C9 | C11 | H10 | 109.5° | 109.4° |
| H1 | C1 | O1 | 115.7° | 120.0° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O6 | 179.7° | 179.7° |
| C1 | C2 | C3 | C4 | 179.6° | 179.9° |
| C1 | C2 | O6 | C5 | 179.7° | 179.9° |
| C2 | C1 | H1 | O1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H4 | 0.4° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | O6 | C5 | 0.1° | 0.4° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C1 | H1 | 55.5° | 180.0° |
| C2 | C3 | C4 | H5 | 179.9° | 180.0° |
| C3 | C2 | C1 | O1 | 124.4° | 0.3° |
| O6 | C2 | C3 | C4 | 0.1° | 0.2° |
| C2 | O6 | C5 | C4 | 0.0° | 0.4° |
| C2 | O6 | C5 | C7 | 179.8° | 179.9° |
| O6 | C2 | C1 | H1 | 124.2° | 0.3° |
| O6 | C2 | C3 | H4 | 179.9° | 179.8° |
| O6 | C2 | C1 | O1 | 55.9° | 179.4° |
| C3 | C4 | C5 | O6 | 0.1° | 0.3° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C7 | 179.8° | 180.0° |
| O6 | C5 | C4 | C7 | 179.7° | 179.7° |
| O6 | C5 | C7 | O8 | 118.4° | 89.7° |
| O6 | C5 | C4 | H5 | 179.9° | 179.8° |
| O6 | C5 | C7 | H6 | 1.6° | 30.3° |
| O6 | C5 | C7 | H7 | 121.6° | 150.3° |
| C4 | C5 | C7 | O8 | 61.9° | 90.0° |
| C5 | C4 | C3 | H4 | 179.9° | 180.0° |
| C4 | C5 | C7 | H6 | 178.1° | 150.0° |
| C4 | C5 | C7 | H7 | 58.1° | 30.0° |
| O10 | C9 | O8 | C11 | 179.1° | 180.0° |
| O10 | C9 | O8 | C7 | 114.1° | 0.1° |
| O10 | C9 | C11 | H8 | 0.0° | 180.0° |
| O10 | C9 | C11 | H9 | 120.0° | 60.0° |
| O10 | C9 | C11 | H10 | 120.0° | 60.0° |
| C5 | C7 | O8 | C9 | 131.1° | 180.0° |
| C5 | C7 | O8 | H6 | 119.9° | 120.0° |
| C5 | C7 | O8 | H7 | 120.0° | 120.0° |
| C7 | C5 | C4 | H5 | 0.2° | 0.1° |
| C5 | C7 | H6 | H7 | 120.1° | 120.0° |
| C9 | O8 | C7 | H6 | 11.2° | 60.0° |
| C9 | O8 | C7 | H7 | 108.9° | 60.0° |
| O8 | C9 | C11 | H8 | 179.1° | 0.0° |
| O8 | C9 | C11 | H9 | 60.9° | 120.0° |
| O8 | C9 | C11 | H10 | 59.1° | 120.1° |
| C7 | O8 | C9 | C11 | 66.8° | 180.0° |
| O8 | C7 | H6 | H7 | 120.1° | 120.0° |
| C9 | C11 | H8 | H9 | 120.0° | 119.9° |
| C9 | C11 | H8 | H10 | 120.0° | 120.0° |
| C9 | C11 | H9 | H10 | 120.0° | 119.9° |
| H4 | C3 | C4 | H5 | 0.1° | 0.1° |
| H8 | C11 | H9 | H10 | 120.0° | 120.1° |
