MV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C | C2 | sing | 1.46Å | 1.49Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| O1 | C5 | sing | 1.35Å | 1.37Å | |
| O1 | C6 | sing | 1.43Å | 1.41Å | |
| C5 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | O2 | sing | 1.35Å | 1.37Å | |
| C7 | C10 | sing | 1.47Å | 1.48Å | |
| O2 | C9 | sing | 1.43Å | 1.45Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C2 | 120.4° | 120.0° |
| O | C | C1 | 119.8° | 120.0° |
| C4 | C3 | C2 | 121.6° | 120.6° |
| C3 | C4 | C5 | 120.3° | 120.2° |
| C3 | C4 | H4 | 119.8° | 119.9° |
| C4 | C3 | H3 | 119.2° | 119.7° |
| C3 | C2 | C | 119.8° | 119.9° |
| C3 | C2 | C8 | 117.5° | 120.1° |
| C2 | C3 | H3 | 119.2° | 119.7° |
| C4 | C5 | O1 | 124.2° | 119.9° |
| C4 | C5 | C7 | 119.2° | 120.1° |
| C5 | C4 | H4 | 119.9° | 119.9° |
| C2 | C | C1 | 119.8° | 120.0° |
| C | C2 | C8 | 122.5° | 120.0° |
| C | C1 | H | 109.5° | 109.5° |
| C | C1 | H1 | 109.5° | 109.5° |
| C | C1 | H2 | 109.5° | 109.4° |
| C2 | C8 | C7 | 122.0° | 118.8° |
| C2 | C8 | O2 | 124.4° | 130.0° |
| C5 | O1 | C6 | 117.3° | 117.0° |
| O1 | C5 | C7 | 116.3° | 120.0° |
| O1 | C6 | H5 | 109.5° | 109.5° |
| O1 | C6 | H6 | 109.5° | 109.5° |
| O1 | C6 | H7 | 109.4° | 109.5° |
| C5 | C7 | C8 | 119.3° | 120.3° |
| C5 | C7 | C10 | 133.9° | 131.7° |
| C7 | C8 | O2 | 113.5° | 111.2° |
| C8 | C7 | C10 | 106.8° | 108.0° |
| C8 | O2 | C9 | 108.2° | 110.5° |
| C7 | C10 | O3 | 127.6° | 127.8° |
| C7 | C10 | C9 | 105.2° | 104.5° |
| O2 | C9 | C10 | 105.8° | 105.8° |
| O2 | C9 | H8 | 110.4° | 110.2° |
| O2 | C9 | H9 | 110.4° | 110.2° |
| O3 | C10 | C9 | 123.9° | 127.8° |
| C10 | C9 | H8 | 110.4° | 110.2° |
| C10 | C9 | H9 | 110.4° | 110.2° |
| H8 | C9 | H9 | 109.5° | 110.1° |
| H | C1 | H1 | 109.4° | 109.5° |
| H | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H5 | C6 | H7 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C2 | C3 | 37.2° | 180.0° |
| O | C | C2 | C1 | 179.3° | 179.9° |
| O | C | C2 | C8 | 138.5° | 0.4° |
| O | C | C1 | H | 0.0° | 120.0° |
| O | C | C1 | H1 | 120.0° | 0.1° |
| O | C | C1 | H2 | 120.0° | 120.1° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C | 173.7° | 180.0° |
| C4 | C3 | C2 | C8 | 2.2° | 0.3° |
| C3 | C4 | C5 | O1 | 171.4° | 180.0° |
| C3 | C4 | C5 | C7 | 2.5° | 0.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.3° |
| C3 | C2 | C | C8 | 175.7° | 179.7° |
| C3 | C2 | C | C1 | 142.1° | 0.1° |
| C3 | C2 | C8 | C7 | 1.7° | 0.0° |
| C3 | C2 | C8 | O2 | 179.6° | 180.0° |
| C2 | C3 | C4 | H4 | 179.9° | 179.7° |
| C4 | C5 | O1 | C7 | 174.1° | 179.9° |
| C4 | C5 | O1 | C6 | 93.5° | 0.1° |
| C4 | C5 | C7 | C8 | 2.9° | 0.2° |
| C4 | C5 | C7 | C10 | 175.6° | 179.9° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C | C2 | C8 | C7 | 174.0° | 179.7° |
| C | C2 | C8 | O2 | 3.9° | 0.3° |
| C2 | C | C1 | H | 179.3° | 60.0° |
| C2 | C | C1 | H1 | 60.8° | 180.0° |
| C2 | C | C1 | H2 | 59.3° | 60.0° |
| C | C2 | C3 | H3 | 6.3° | 0.3° |
| C1 | C | C2 | C8 | 42.3° | 179.7° |
| C | C1 | H | H1 | 120.0° | 120.1° |
| C | C1 | H | H2 | 120.0° | 120.0° |
| C | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C8 | C7 | C5 | 0.8° | 0.2° |
| C2 | C8 | C7 | O2 | 178.1° | 180.0° |
| C2 | C8 | C7 | C10 | 178.1° | 180.0° |
| C2 | C8 | O2 | C9 | 177.0° | 180.0° |
| C8 | C2 | C3 | H3 | 177.8° | 180.0° |
| O1 | C5 | C7 | C8 | 171.5° | 179.7° |
| O1 | C5 | C7 | C10 | 10.0° | 0.0° |
| C5 | O1 | C6 | H5 | 180.0° | 59.9° |
| C5 | O1 | C6 | H6 | 60.0° | 179.9° |
| C5 | O1 | C6 | H7 | 60.0° | 60.1° |
| O1 | C5 | C4 | H4 | 8.6° | 0.1° |
| C6 | O1 | C5 | C7 | 92.4° | 180.0° |
| O1 | C6 | H5 | H6 | 120.0° | 120.0° |
| O1 | C6 | H5 | H7 | 120.0° | 120.0° |
| O1 | C6 | H6 | H7 | 120.0° | 120.0° |
| C5 | C7 | C8 | C10 | 178.9° | 179.8° |
| C5 | C7 | C8 | O2 | 177.3° | 179.7° |
| C5 | C7 | C10 | O3 | 15.0° | 0.2° |
| C5 | C7 | C10 | C9 | 174.6° | 179.7° |
| C7 | C5 | C4 | H4 | 177.5° | 180.0° |
| C7 | C8 | O2 | C9 | 1.1° | 0.0° |
| C8 | C7 | C10 | O3 | 166.3° | 179.9° |
| C8 | C7 | C10 | C9 | 6.7° | 0.0° |
| O2 | C8 | C7 | C10 | 3.7° | 0.0° |
| C8 | O2 | C9 | C10 | 5.2° | 0.0° |
| C8 | O2 | C9 | H8 | 124.6° | 119.2° |
| C8 | O2 | C9 | H9 | 114.2° | 119.1° |
| C7 | C10 | C9 | O2 | 7.2° | 0.0° |
| C7 | C10 | O3 | C9 | 156.1° | 179.9° |
| C7 | C10 | C9 | H8 | 126.7° | 119.1° |
| C7 | C10 | C9 | H9 | 112.2° | 119.2° |
| O2 | C9 | C10 | O3 | 167.8° | 179.9° |
| O2 | C9 | C10 | H8 | 119.4° | 119.1° |
| O2 | C9 | C10 | H9 | 119.4° | 119.2° |
| O2 | C9 | H8 | H9 | 121.7° | 121.8° |
| O3 | C10 | C9 | H8 | 72.7° | 60.8° |
| O3 | C10 | C9 | H9 | 48.4° | 60.9° |
| C10 | C9 | H8 | H9 | 121.7° | 121.8° |
| H | C1 | H1 | H2 | 119.9° | 120.0° |
| H5 | C6 | H6 | H7 | 120.0° | 120.0° |
| H4 | C4 | C3 | H3 | 0.1° | 0.0° |
