DVH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.39Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | C6 | sing | 1.53Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C6 | O2 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.49Å | |
| C4 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | doub | 1.31Å | 1.36Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 108.9° | 109.5° |
| O1 | C1 | C6 | 110.5° | 109.5° |
| O1 | C1 | H1 | 109.8° | 109.5° |
| C1 | O1 | H13 | 109.5° | 114.0° |
| C2 | C1 | C6 | 110.7° | 109.5° |
| C1 | C2 | C3 | 110.9° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C1 | C2 | H2 | 109.1° | 109.5° |
| C1 | C2 | H3 | 109.1° | 109.5° |
| C1 | C6 | O2 | 108.4° | 109.5° |
| C1 | C6 | C5 | 112.9° | 109.5° |
| C6 | C1 | H1 | 108.5° | 109.5° |
| C1 | C6 | H9 | 107.6° | 109.5° |
| C2 | C3 | C4 | 112.7° | 109.5° |
| C3 | C2 | H2 | 109.1° | 109.4° |
| C3 | C2 | H3 | 109.1° | 109.4° |
| C2 | C3 | H4 | 108.7° | 109.5° |
| C2 | C3 | H5 | 108.7° | 109.4° |
| O2 | C6 | C5 | 111.9° | 109.5° |
| O2 | C6 | H9 | 108.3° | 109.4° |
| C6 | O2 | H14 | 109.5° | 114.0° |
| C6 | C5 | C4 | 112.7° | 109.4° |
| C6 | C5 | H7 | 108.6° | 109.5° |
| C6 | C5 | H8 | 108.6° | 109.4° |
| C5 | C6 | H9 | 107.6° | 109.4° |
| C3 | C4 | C5 | 113.4° | 109.5° |
| C3 | C4 | C7 | 108.0° | 109.5° |
| C4 | C3 | H4 | 108.7° | 109.5° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| C3 | C4 | H6 | 109.1° | 109.5° |
| C5 | C4 | C7 | 108.0° | 109.4° |
| C5 | C4 | H6 | 109.1° | 109.5° |
| C4 | C5 | H7 | 108.6° | 109.5° |
| C4 | C5 | H8 | 108.6° | 109.5° |
| C4 | C7 | C8 | 118.6° | 120.0° |
| C7 | C4 | H6 | 109.1° | 109.5° |
| C4 | C7 | H10 | 120.7° | 120.0° |
| C8 | C7 | H10 | 120.7° | 120.0° |
| C7 | C8 | H11 | 120.0° | 120.0° |
| C7 | C8 | H12 | 120.0° | 120.0° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H11 | C8 | H12 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C6 | 121.7° | 120.0° |
| O1 | C1 | C2 | H1 | 119.5° | 120.0° |
| O1 | C1 | C6 | H1 | 120.5° | 120.0° |
| O1 | C1 | C2 | C3 | 64.6° | 60.0° |
| O1 | C1 | C6 | O2 | 170.1° | 180.0° |
| O1 | C1 | C6 | C5 | 65.4° | 60.0° |
| O1 | C1 | C2 | H2 | 175.2° | 180.0° |
| O1 | C1 | C2 | H3 | 55.6° | 60.0° |
| O1 | C1 | C6 | H9 | 53.1° | 60.0° |
| C2 | C1 | C6 | H1 | 118.7° | 120.0° |
| C1 | C2 | C3 | H2 | 120.2° | 120.0° |
| C1 | C2 | C3 | H3 | 120.2° | 120.0° |
| C2 | C1 | C6 | O2 | 69.2° | 60.0° |
| C2 | C1 | C6 | C5 | 55.4° | 60.0° |
| C1 | C2 | C3 | C4 | 54.6° | 60.0° |
| C1 | C2 | H2 | H3 | 119.4° | 120.0° |
| C1 | C2 | C3 | H4 | 175.1° | 180.0° |
| C1 | C2 | C3 | H5 | 65.8° | 60.0° |
| C2 | C1 | C6 | H9 | 173.9° | 180.0° |
| C2 | C1 | O1 | H13 | 180.0° | 60.0° |
| C6 | C1 | C2 | C3 | 57.1° | 60.0° |
| C1 | C6 | O2 | C5 | 125.1° | 120.0° |
| C1 | C6 | O2 | H9 | 116.4° | 120.1° |
| C1 | C6 | C5 | H9 | 118.6° | 120.0° |
| C1 | C6 | C5 | C4 | 50.2° | 60.0° |
| C6 | C1 | C2 | H2 | 63.1° | 60.0° |
| C6 | C1 | C2 | H3 | 177.3° | 180.0° |
| C1 | C6 | C5 | H7 | 70.3° | 180.0° |
| C1 | C6 | C5 | H8 | 170.7° | 60.0° |
| C6 | C1 | O1 | H13 | 58.2° | 180.0° |
| C1 | C6 | O2 | H14 | 180.0° | 59.9° |
| C2 | C3 | C4 | H4 | 120.5° | 120.0° |
| C2 | C3 | C4 | H5 | 120.5° | 119.9° |
| C2 | C3 | C4 | C5 | 49.7° | 60.0° |
| C2 | C3 | C4 | C7 | 169.3° | 180.0° |
| C3 | C2 | C1 | H1 | 175.9° | 180.0° |
| C3 | C2 | H2 | H3 | 119.3° | 119.9° |
| C2 | C3 | H4 | H5 | 118.5° | 120.0° |
| C2 | C3 | C4 | H6 | 72.2° | 60.0° |
| O2 | C6 | C5 | H9 | 118.9° | 119.9° |
| O2 | C6 | C5 | C4 | 72.4° | 60.1° |
| O2 | C6 | C1 | H1 | 49.6° | 60.0° |
| O2 | C6 | C5 | H7 | 167.1° | 59.9° |
| O2 | C6 | C5 | H8 | 48.1° | 180.0° |
| C6 | C5 | C4 | C3 | 46.9° | 60.0° |
| C6 | C5 | C4 | H7 | 120.5° | 120.0° |
| C6 | C5 | C4 | H8 | 120.5° | 119.9° |
| C6 | C5 | C4 | C7 | 166.6° | 180.0° |
| C5 | C6 | C1 | H1 | 174.1° | 180.0° |
| C6 | C5 | C4 | H6 | 75.0° | 60.1° |
| C6 | C5 | H7 | H8 | 118.5° | 120.0° |
| C5 | C6 | O2 | H14 | 54.9° | 180.0° |
| C3 | C4 | C5 | C7 | 119.6° | 120.0° |
| C3 | C4 | C5 | H6 | 121.9° | 120.0° |
| C3 | C4 | C7 | H6 | 118.5° | 120.0° |
| C3 | C4 | C7 | C8 | 65.5° | 120.0° |
| C4 | C3 | C2 | H2 | 65.6° | 60.0° |
| C4 | C3 | C2 | H3 | 174.9° | 180.0° |
| C4 | C3 | H4 | H5 | 118.5° | 120.0° |
| C3 | C4 | C5 | H7 | 73.5° | 180.0° |
| C3 | C4 | C5 | H8 | 167.4° | 60.0° |
| C3 | C4 | C7 | H10 | 114.5° | 60.0° |
| C5 | C4 | C7 | H6 | 118.5° | 120.0° |
| C5 | C4 | C7 | C8 | 171.5° | 120.0° |
| C5 | C4 | C3 | H4 | 170.2° | 180.0° |
| C5 | C4 | C3 | H5 | 70.8° | 60.0° |
| C4 | C5 | H7 | H8 | 118.5° | 120.0° |
| C4 | C5 | C6 | H9 | 168.8° | 180.0° |
| C5 | C4 | C7 | H10 | 8.6° | 60.0° |
| C4 | C7 | C8 | H10 | 180.0° | 180.0° |
| C7 | C4 | C3 | H4 | 70.2° | 60.0° |
| C7 | C4 | C3 | H5 | 48.8° | 60.0° |
| C7 | C4 | C5 | H7 | 46.1° | 60.0° |
| C7 | C4 | C5 | H8 | 73.0° | 60.0° |
| C4 | C7 | C8 | H11 | 180.0° | 180.0° |
| C4 | C7 | C8 | H12 | 0.0° | 0.0° |
| C8 | C7 | C4 | H6 | 53.0° | 0.0° |
| C7 | C8 | H11 | H12 | 180.0° | 180.0° |
| H1 | C1 | C2 | H2 | 55.7° | 60.0° |
| H1 | C1 | C2 | H3 | 63.9° | 60.0° |
| H1 | C1 | C6 | H9 | 67.3° | 60.0° |
| H1 | C1 | O1 | H13 | 61.5° | 60.0° |
| H2 | C2 | C3 | H4 | 54.9° | 60.0° |
| H2 | C2 | C3 | H5 | 174.0° | 180.0° |
| H3 | C2 | C3 | H4 | 64.6° | 60.0° |
| H3 | C2 | C3 | H5 | 54.4° | 60.0° |
| H4 | C3 | C4 | H6 | 48.3° | 60.0° |
| H5 | C3 | C4 | H6 | 167.3° | 180.0° |
| H6 | C4 | C5 | H7 | 164.6° | 60.0° |
| H6 | C4 | C5 | H8 | 45.5° | 180.0° |
| H6 | C4 | C7 | H10 | 127.0° | 180.0° |
| H7 | C5 | C6 | H9 | 48.3° | 60.0° |
| H8 | C5 | C6 | H9 | 70.8° | 60.0° |
| H9 | C6 | O2 | H14 | 63.5° | 60.1° |
| H10 | C7 | C8 | H11 | 0.0° | 0.0° |
| H10 | C7 | C8 | H12 | 180.0° | 180.0° |
