TVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| O2 | C2 | sing | 1.43Å | 1.48Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | O3 | sing | 1.43Å | 1.43Å | |
| C25 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.35Å | Aromatic |
| C3 | O3 | sing | 1.43Å | 1.39Å | |
| C3 | C2 | sing | 1.53Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C30 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C29 | O31 | sing | 1.36Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.50Å | |
| O31 | C32 | sing | 1.43Å | 1.47Å | |
| O6 | C6 | sing | 1.43Å | 1.40Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C28 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 117.6° | 120.1° |
| C26 | C27 | C28 | 123.4° | 120.1° |
| C27 | C26 | H30 | 121.2° | 120.0° |
| C26 | C27 | H31 | 118.3° | 119.9° |
| C26 | C25 | C24 | 119.5° | 120.0° |
| C26 | C25 | C30 | 118.8° | 120.0° |
| C25 | C26 | H30 | 121.2° | 119.9° |
| C27 | C28 | C29 | 119.8° | 120.0° |
| C28 | C27 | H31 | 118.3° | 120.0° |
| C27 | C28 | H32 | 120.1° | 120.0° |
| O2 | C2 | C3 | 106.5° | 109.5° |
| O2 | C2 | C1 | 106.0° | 109.6° |
| O2 | C2 | H2 | 110.3° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C25 | C24 | O3 | 109.2° | 109.4° |
| C24 | C25 | C30 | 121.6° | 120.0° |
| C25 | C24 | H28 | 109.5° | 109.5° |
| C25 | C24 | H29 | 109.6° | 109.5° |
| C24 | O3 | C3 | 111.9° | 113.9° |
| O3 | C24 | H28 | 109.6° | 109.5° |
| O3 | C24 | H29 | 109.5° | 109.4° |
| C25 | C30 | C29 | 122.7° | 120.0° |
| C25 | C30 | H33 | 118.6° | 120.0° |
| C28 | C29 | C30 | 117.6° | 119.9° |
| C28 | C29 | O31 | 118.5° | 120.1° |
| C29 | C28 | H32 | 120.1° | 120.0° |
| O3 | C3 | C2 | 111.2° | 109.5° |
| O3 | C3 | C4 | 109.0° | 109.5° |
| O3 | C3 | H3 | 110.3° | 109.6° |
| C2 | C3 | C4 | 108.5° | 109.0° |
| C3 | C2 | C1 | 113.5° | 109.2° |
| C2 | C3 | H3 | 109.2° | 109.7° |
| C3 | C2 | H2 | 110.3° | 109.5° |
| C3 | C4 | C5 | 112.4° | 109.2° |
| C3 | C4 | O4 | 110.0° | 109.5° |
| C3 | C4 | H4 | 107.7° | 109.5° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C30 | C29 | O31 | 123.9° | 120.0° |
| C29 | C30 | H33 | 118.6° | 120.0° |
| C29 | O31 | C32 | 122.5° | 117.0° |
| C2 | C1 | O5 | 110.4° | 109.4° |
| C1 | C2 | H2 | 110.1° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C2 | C1 | O1 | 112.2° | 109.5° |
| C1 | O5 | C5 | 109.5° | 114.2° |
| O5 | C1 | H1 | 109.8° | 109.5° |
| O5 | C1 | O1 | 104.6° | 109.5° |
| C4 | C5 | O5 | 108.9° | 109.4° |
| C4 | C5 | C6 | 114.4° | 109.5° |
| C5 | C4 | O4 | 111.3° | 109.5° |
| C5 | C4 | H4 | 107.4° | 109.6° |
| C4 | C5 | H5 | 108.6° | 109.4° |
| O5 | C5 | C6 | 106.4° | 109.6° |
| O5 | C5 | H5 | 109.7° | 109.4° |
| C5 | C6 | O6 | 111.0° | 109.5° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.4° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| O4 | C4 | H4 | 107.8° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 113.9° |
| O31 | C32 | H34 | 109.5° | 109.5° |
| O31 | C32 | H35 | 109.5° | 109.5° |
| O31 | C32 | H36 | 109.5° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O6 | C6 | H61 | 109.1° | 109.5° |
| O6 | C6 | H62 | 109.1° | 109.5° |
| H1 | C1 | O1 | 110.4° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H28 | C24 | H29 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.4° | 109.5° |
| H34 | C32 | H36 | 109.4° | 109.4° |
| H35 | C32 | H36 | 109.4° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H30 | 180.0° | 180.0° |
| C26 | C27 | C28 | H31 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 179.9° | 180.0° |
| C27 | C26 | C25 | C30 | 3.2° | 0.2° |
| C26 | C27 | C28 | C29 | 1.5° | 0.0° |
| C26 | C27 | C28 | H32 | 178.5° | 179.9° |
| C25 | C26 | C27 | C28 | 1.3° | 0.1° |
| C26 | C25 | C24 | C30 | 176.8° | 179.8° |
| C26 | C25 | C24 | O3 | 174.2° | 89.7° |
| C26 | C25 | C30 | C29 | 2.6° | 0.5° |
| C26 | C25 | C24 | H28 | 65.8° | 150.3° |
| C26 | C25 | C24 | H29 | 54.2° | 30.2° |
| C25 | C26 | C27 | H31 | 178.7° | 180.0° |
| C26 | C25 | C30 | H33 | 177.3° | 179.7° |
| C27 | C28 | C29 | H32 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 2.1° | 0.2° |
| C27 | C28 | C29 | O31 | 179.8° | 180.0° |
| C28 | C27 | C26 | H30 | 178.7° | 180.0° |
| O2 | C2 | C3 | O3 | 72.1° | 63.2° |
| O2 | C2 | C3 | C1 | 116.3° | 120.0° |
| O2 | C2 | C3 | H2 | 119.7° | 120.2° |
| O2 | C2 | C3 | C4 | 168.0° | 176.9° |
| O2 | C2 | C1 | H2 | 119.2° | 120.2° |
| O2 | C2 | C1 | O5 | 174.7° | 177.5° |
| O2 | C2 | C3 | H3 | 49.8° | 57.0° |
| O2 | C2 | C1 | H1 | 53.8° | 57.6° |
| O2 | C2 | C1 | O1 | 69.0° | 62.5° |
| C25 | C24 | O3 | H28 | 120.0° | 120.0° |
| C25 | C24 | O3 | H29 | 120.0° | 120.0° |
| C25 | C24 | O3 | C3 | 165.4° | 180.0° |
| C24 | C25 | C30 | C29 | 179.5° | 179.7° |
| C25 | C24 | H28 | H29 | 120.1° | 120.1° |
| C24 | C25 | C26 | H30 | 0.1° | 0.0° |
| C24 | C25 | C30 | H33 | 0.5° | 0.1° |
| O3 | C24 | C25 | C30 | 9.0° | 90.1° |
| C24 | O3 | C3 | C2 | 154.5° | 90.0° |
| C24 | O3 | C3 | C4 | 86.0° | 150.4° |
| C24 | O3 | C3 | H3 | 33.3° | 30.3° |
| O3 | C24 | H28 | H29 | 120.1° | 120.0° |
| C25 | C30 | C29 | C28 | 0.1° | 0.5° |
| C25 | C30 | C29 | H33 | 180.0° | 179.8° |
| C25 | C30 | C29 | O31 | 178.1° | 179.8° |
| C30 | C25 | C24 | H28 | 111.0° | 29.9° |
| C30 | C25 | C24 | H29 | 129.0° | 150.0° |
| C30 | C25 | C26 | H30 | 176.8° | 179.8° |
| C28 | C29 | C30 | O31 | 178.0° | 179.7° |
| C28 | C29 | O31 | C32 | 176.3° | 0.0° |
| C29 | C28 | C27 | H31 | 178.5° | 179.9° |
| C28 | C29 | C30 | H33 | 179.9° | 179.7° |
| O3 | C3 | C2 | C4 | 119.9° | 119.8° |
| O3 | C3 | C2 | H3 | 121.9° | 120.3° |
| O3 | C3 | C4 | H3 | 120.2° | 120.2° |
| O3 | C3 | C2 | C1 | 171.6° | 176.8° |
| O3 | C3 | C4 | C5 | 172.7° | 176.8° |
| O3 | C3 | C4 | O4 | 48.0° | 56.9° |
| O3 | C3 | C4 | H4 | 69.2° | 63.2° |
| O3 | C3 | C2 | H2 | 47.5° | 56.9° |
| C3 | O3 | C24 | H28 | 45.5° | 60.0° |
| C3 | O3 | C24 | H29 | 74.6° | 60.0° |
| C2 | C3 | C4 | H3 | 118.6° | 120.0° |
| C3 | C2 | C1 | H2 | 124.2° | 119.9° |
| C3 | C2 | C1 | O5 | 58.1° | 57.6° |
| C2 | C3 | C4 | C5 | 51.5° | 57.0° |
| C2 | C3 | C4 | O4 | 73.2° | 62.9° |
| C2 | C3 | C4 | H4 | 169.6° | 177.0° |
| C3 | C2 | C1 | H1 | 62.7° | 62.4° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C3 | C2 | C1 | O1 | 174.4° | 177.6° |
| C4 | C3 | C2 | C1 | 51.7° | 57.0° |
| C3 | C4 | C5 | O4 | 123.9° | 119.9° |
| C3 | C4 | C5 | H4 | 118.3° | 120.0° |
| C3 | C4 | C5 | O5 | 57.5° | 57.5° |
| C3 | C4 | C5 | C6 | 176.4° | 177.6° |
| C3 | C4 | O4 | H4 | 117.2° | 120.1° |
| C4 | C3 | C2 | H2 | 72.3° | 62.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 179.8° |
| C3 | C4 | C5 | H5 | 61.9° | 62.3° |
| C30 | C29 | O31 | C32 | 1.7° | 179.8° |
| C30 | C29 | C28 | H32 | 177.9° | 179.8° |
| O31 | C29 | C28 | H32 | 0.2° | 0.1° |
| O31 | C29 | C30 | H33 | 1.9° | 0.0° |
| C29 | O31 | C32 | H34 | 180.0° | 60.0° |
| C29 | O31 | C32 | H35 | 60.0° | 60.1° |
| C29 | O31 | C32 | H36 | 60.0° | 180.0° |
| C2 | C1 | O5 | H1 | 120.5° | 120.0° |
| C2 | C1 | O5 | O1 | 121.0° | 120.0° |
| C2 | C1 | O5 | C5 | 62.1° | 61.1° |
| C1 | C2 | C3 | H3 | 66.5° | 62.9° |
| C2 | C1 | H1 | O1 | 123.9° | 120.0° |
| C1 | C2 | O2 | HO2 | 58.8° | 60.3° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | O5 | C5 | C4 | 61.5° | 61.1° |
| C1 | O5 | C5 | C6 | 174.7° | 178.9° |
| O5 | C1 | C2 | H2 | 66.1° | 62.3° |
| O5 | C1 | H1 | O1 | 114.8° | 120.0° |
| C1 | O5 | C5 | H5 | 57.3° | 58.8° |
| O5 | C1 | O1 | HO1 | 60.3° | 60.0° |
| C4 | C5 | O5 | C6 | 123.8° | 120.0° |
| C4 | C5 | O5 | H5 | 118.7° | 119.9° |
| C4 | C5 | C6 | H5 | 121.6° | 120.0° |
| C5 | C4 | O4 | H4 | 117.5° | 120.2° |
| C4 | C5 | C6 | O6 | 175.6° | 175.0° |
| C5 | C4 | C3 | H3 | 67.1° | 63.0° |
| C5 | C4 | O4 | HO4 | 54.8° | 60.1° |
| C4 | C5 | C6 | H61 | 64.2° | 65.0° |
| C4 | C5 | C6 | H62 | 55.4° | 54.9° |
| O5 | C5 | C6 | H5 | 118.1° | 120.1° |
| O5 | C5 | C4 | O4 | 66.4° | 62.4° |
| O5 | C5 | C6 | O6 | 55.3° | 65.1° |
| O5 | C5 | C4 | H4 | 175.8° | 177.5° |
| C5 | O5 | C1 | H1 | 58.5° | 58.8° |
| O5 | C5 | C6 | H61 | 175.5° | 54.9° |
| O5 | C5 | C6 | H62 | 64.9° | 174.9° |
| C5 | O5 | C1 | O1 | 177.0° | 178.8° |
| C6 | C5 | C4 | O4 | 52.5° | 57.8° |
| C5 | C6 | O6 | H61 | 120.2° | 120.0° |
| C5 | C6 | O6 | H62 | 120.2° | 120.0° |
| C6 | C5 | C4 | H4 | 65.3° | 62.4° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | C6 | H61 | H62 | 119.3° | 120.0° |
| O4 | C4 | C3 | H3 | 168.3° | 177.1° |
| O4 | C4 | C5 | H5 | 174.2° | 177.8° |
| O31 | C32 | H34 | H35 | 120.0° | 120.1° |
| O31 | C32 | H34 | H36 | 120.0° | 120.0° |
| O31 | C32 | H35 | H36 | 120.0° | 120.0° |
| O6 | C6 | C5 | H5 | 62.8° | 55.0° |
| O6 | C6 | H61 | H62 | 119.3° | 120.0° |
| H4 | C4 | C3 | H3 | 51.0° | 57.0° |
| H4 | C4 | O4 | HO4 | 62.8° | 60.0° |
| H4 | C4 | C5 | H5 | 56.4° | 57.6° |
| H3 | C3 | C2 | H2 | 169.4° | 177.2° |
| H2 | C2 | C1 | H1 | 173.0° | 177.8° |
| H2 | C2 | O2 | HO2 | 60.3° | 59.9° |
| H2 | C2 | C1 | O1 | 50.2° | 57.7° |
| H1 | C1 | O1 | HO1 | 57.8° | 60.0° |
| HO6 | O6 | C6 | H61 | 59.8° | 60.0° |
| HO6 | O6 | C6 | H62 | 59.8° | 60.0° |
| H5 | C5 | C6 | H61 | 57.4° | 175.0° |
| H5 | C5 | C6 | H62 | 177.0° | 65.0° |
| H30 | C26 | C27 | H31 | 1.3° | 0.1° |
| H31 | C27 | C28 | H32 | 1.5° | 0.0° |
| H34 | C32 | H35 | H36 | 119.9° | 119.9° |
