EMO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.36Å | 1.39Å | |
| C1 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
| C1 | C20 | sing | 1.40Å | 1.47Å | Aromatic |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | O3 | sing | 1.36Å | 1.39Å | |
| C3 | C4 | doub | 1.39Å | 1.44Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.39Å | 1.44Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.48Å | 1.54Å | |
| C5 | C20 | doub | 1.41Å | 1.46Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | C7 | sing | 1.48Å | 1.55Å | |
| C7 | C8 | doub | 1.39Å | 1.46Å | Aromatic |
| C7 | C18 | sing | 1.41Å | 1.46Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.45Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C10 | H103 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.39Å | 1.43Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | O17 | sing | 1.36Å | 1.42Å | |
| C17 | C18 | doub | 1.40Å | 1.44Å | Aromatic |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C18 | C19 | sing | 1.47Å | 1.54Å | |
| C19 | O19 | doub | 1.22Å | 1.22Å | |
| C19 | C20 | sing | 1.47Å | 1.54Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 115.2° | 120.0° |
| O1 | C1 | C20 | 124.7° | 120.1° |
| C1 | O1 | HO1 | 115.2° | 106.8° |
| C2 | C1 | C20 | 120.1° | 119.9° |
| C1 | C2 | C3 | 119.6° | 120.3° |
| C1 | C2 | H2 | 120.3° | 119.9° |
| C1 | C20 | C5 | 119.6° | 119.7° |
| C1 | C20 | C19 | 120.3° | 120.2° |
| C3 | C2 | H2 | 120.0° | 119.9° |
| C2 | C3 | O3 | 120.6° | 119.8° |
| C2 | C3 | C4 | 121.3° | 120.4° |
| O3 | C3 | C4 | 118.1° | 119.8° |
| C3 | O3 | HO3 | 120.7° | 106.8° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C5 | C4 | H4 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.5° | 120.3° |
| C4 | C5 | C20 | 118.9° | 119.7° |
| C6 | C5 | C20 | 120.6° | 120.0° |
| C5 | C6 | O6 | 120.5° | 120.1° |
| C5 | C6 | C7 | 119.1° | 119.8° |
| C5 | C20 | C19 | 120.0° | 120.1° |
| O6 | C6 | C7 | 120.4° | 120.1° |
| C6 | C7 | C8 | 120.8° | 120.3° |
| C6 | C7 | C18 | 120.1° | 120.0° |
| C8 | C7 | C18 | 119.1° | 119.7° |
| C7 | C8 | C9 | 120.2° | 120.1° |
| C7 | C8 | H8 | 120.1° | 120.0° |
| C7 | C18 | C17 | 118.9° | 119.6° |
| C7 | C18 | C19 | 120.7° | 120.2° |
| C9 | C8 | H8 | 119.7° | 120.0° |
| C8 | C9 | C10 | 124.4° | 119.7° |
| C8 | C9 | C16 | 120.1° | 120.5° |
| C10 | C9 | C16 | 115.4° | 119.7° |
| C9 | C10 | H101 | 124.5° | 109.5° |
| C9 | C10 | H102 | 106.9° | 109.5° |
| C9 | C10 | H103 | 106.9° | 109.5° |
| C9 | C16 | C17 | 119.7° | 120.3° |
| C9 | C16 | H16 | 120.2° | 119.8° |
| H101 | C10 | H102 | 106.9° | 109.4° |
| H101 | C10 | H103 | 106.9° | 109.5° |
| H102 | C10 | H103 | 102.7° | 109.5° |
| C17 | C16 | H16 | 120.1° | 119.9° |
| C16 | C17 | O17 | 116.6° | 120.1° |
| C16 | C17 | C18 | 121.9° | 119.8° |
| O17 | C17 | C18 | 121.5° | 120.2° |
| C17 | O17 | H17 | 116.5° | 106.8° |
| C17 | C18 | C19 | 120.3° | 120.2° |
| C18 | C19 | O19 | 120.9° | 120.0° |
| C18 | C19 | C20 | 119.4° | 120.0° |
| O19 | C19 | C20 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C20 | 179.9° | 180.0° |
| O1 | C1 | C2 | C3 | 180.0° | 180.0° |
| O1 | C1 | C2 | H2 | 0.0° | 0.0° |
| O1 | C1 | C20 | C5 | 179.9° | 180.0° |
| O1 | C1 | C20 | C19 | 0.1° | 0.1° |
| C2 | C1 | O1 | HO1 | 180.0° | 90.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C20 | C5 | 0.2° | 0.0° |
| C2 | C1 | C20 | C19 | 179.8° | 180.0° |
| C20 | C1 | O1 | HO1 | 0.2° | 90.0° |
| C20 | C1 | C2 | C3 | 0.1° | 0.0° |
| C20 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C20 | C5 | C4 | 0.1° | 0.0° |
| C1 | C20 | C5 | C6 | 179.7° | 179.9° |
| C1 | C20 | C5 | C19 | 179.9° | 180.0° |
| C1 | C20 | C19 | C18 | 179.2° | 179.9° |
| C1 | C20 | C19 | O19 | 0.2° | 0.1° |
| C2 | C3 | O3 | C4 | 179.9° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | H4 | 179.7° | 180.0° |
| H2 | C2 | C3 | O3 | 0.1° | 0.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| O3 | C3 | C4 | C5 | 179.8° | 180.0° |
| O3 | C3 | C4 | H4 | 0.2° | 0.1° |
| C4 | C3 | O3 | HO3 | 0.1° | 90.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.5° | 179.9° |
| C3 | C4 | C5 | C20 | 0.1° | 0.0° |
| C4 | C5 | C6 | C20 | 179.6° | 179.9° |
| C4 | C5 | C6 | O6 | 0.4° | 0.1° |
| C4 | C5 | C6 | C7 | 180.0° | 180.0° |
| C4 | C5 | C20 | C19 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 0.5° | 0.0° |
| H4 | C4 | C5 | C20 | 179.9° | 180.0° |
| C5 | C6 | O6 | C7 | 179.6° | 179.9° |
| C5 | C6 | C7 | C8 | 179.4° | 179.8° |
| C5 | C6 | C7 | C18 | 1.0° | 0.1° |
| C6 | C5 | C20 | C19 | 0.2° | 0.0° |
| C20 | C5 | C6 | O6 | 180.0° | 180.0° |
| C20 | C5 | C6 | C7 | 0.4° | 0.1° |
| C5 | C20 | C19 | C18 | 0.7° | 0.0° |
| C5 | C20 | C19 | O19 | 179.7° | 180.0° |
| O6 | C6 | C7 | C8 | 0.9° | 0.1° |
| O6 | C6 | C7 | C18 | 179.3° | 180.0° |
| C6 | C7 | C8 | C18 | 178.4° | 179.9° |
| C6 | C7 | C8 | C9 | 179.6° | 179.7° |
| C6 | C7 | C8 | H8 | 0.5° | 0.1° |
| C6 | C7 | C18 | C17 | 179.8° | 180.0° |
| C6 | C7 | C18 | C19 | 1.6° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 179.3° | 179.8° |
| C7 | C8 | C9 | C16 | 0.9° | 0.4° |
| C8 | C7 | C18 | C17 | 1.4° | 0.1° |
| C8 | C7 | C18 | C19 | 180.0° | 179.8° |
| C18 | C7 | C8 | C9 | 1.1° | 0.3° |
| C18 | C7 | C8 | H8 | 178.9° | 179.8° |
| C7 | C18 | C17 | C16 | 1.4° | 0.0° |
| C7 | C18 | C17 | O17 | 179.5° | 179.9° |
| C7 | C18 | C17 | C19 | 178.6° | 179.9° |
| C7 | C18 | C19 | O19 | 179.6° | 180.0° |
| C7 | C18 | C19 | C20 | 1.4° | 0.1° |
| C8 | C9 | C10 | C16 | 179.9° | 179.7° |
| C8 | C9 | C10 | H101 | 180.0° | 90.2° |
| C8 | C9 | C10 | H102 | 54.7° | 29.8° |
| C8 | C9 | C10 | H103 | 54.7° | 149.8° |
| C8 | C9 | C16 | C17 | 0.8° | 0.3° |
| C8 | C9 | C16 | H16 | 179.2° | 179.8° |
| H8 | C8 | C9 | C10 | 0.7° | 0.0° |
| H8 | C8 | C9 | C16 | 179.2° | 179.7° |
| C9 | C10 | H101 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H103 | 125.3° | 120.0° |
| C9 | C10 | H102 | H103 | 112.3° | 120.0° |
| C10 | C9 | C16 | C17 | 179.3° | 180.0° |
| C10 | C9 | C16 | H16 | 0.7° | 0.0° |
| C16 | C9 | C10 | H101 | 0.1° | 90.1° |
| C16 | C9 | C10 | H102 | 125.4° | 150.0° |
| C16 | C9 | C10 | H103 | 125.2° | 30.0° |
| C9 | C16 | C17 | H16 | 180.0° | 179.9° |
| C9 | C16 | C17 | O17 | 179.8° | 180.0° |
| C9 | C16 | C17 | C18 | 1.1° | 0.0° |
| H101 | C10 | H102 | H103 | 112.4° | 120.0° |
| C16 | C17 | O17 | C18 | 179.2° | 180.0° |
| C16 | C17 | O17 | H17 | 180.0° | 90.0° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| H16 | C16 | C17 | O17 | 0.2° | 0.1° |
| H16 | C16 | C17 | C18 | 178.9° | 180.0° |
| O17 | C17 | C18 | C19 | 0.9° | 0.0° |
| C18 | C17 | O17 | H17 | 0.9° | 89.9° |
| C17 | C18 | C19 | O19 | 1.0° | 0.0° |
| C17 | C18 | C19 | C20 | 180.0° | 180.0° |
| C18 | C19 | O19 | C20 | 179.0° | 180.0° |
