EN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.25Å | |
| C1 | C2 | sing | 1.47Å | 1.53Å | |
| C1 | O2 | sing | 1.35Å | 1.25Å | |
| C2 | C3 | doub | 1.35Å | 1.39Å | |
| C2 | O4 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | sing | 1.47Å | 1.39Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O3 | C7 | sing | 1.36Å | 1.36Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H81 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.1° | 119.9° |
| O1 | C1 | O2 | 124.2° | 120.0° |
| C2 | C1 | O2 | 116.7° | 120.0° |
| C1 | C2 | C3 | 125.0° | 120.1° |
| C1 | C2 | O4 | 116.9° | 120.0° |
| C1 | O2 | H81 | 109.5° | 114.0° |
| C3 | C2 | O4 | 118.1° | 120.0° |
| C2 | C3 | C4 | 128.8° | 120.0° |
| C2 | C3 | H3 | 115.6° | 120.1° |
| C2 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | H3 | 115.6° | 119.9° |
| C3 | C4 | C5 | 123.3° | 120.1° |
| C3 | C4 | C9 | 117.8° | 120.1° |
| C7 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C7 | C6 | 120.2° | 119.9° |
| O3 | C7 | C8 | 119.8° | 119.9° |
| C5 | C4 | C9 | 118.9° | 119.8° |
| C4 | C5 | C6 | 120.5° | 119.9° |
| C4 | C5 | H5 | 119.7° | 120.1° |
| C4 | C9 | C8 | 121.1° | 119.9° |
| C4 | C9 | H9 | 119.4° | 120.1° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | C7 | 120.0° | 120.1° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C7 | C6 | H6 | 120.0° | 119.9° |
| C6 | C7 | C8 | 120.0° | 120.2° |
| C7 | C8 | C9 | 119.5° | 120.1° |
| C7 | C8 | H8 | 120.2° | 120.0° |
| C9 | C8 | H8 | 120.2° | 120.0° |
| C8 | C9 | H9 | 119.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 179.8° | 179.8° |
| O1 | C1 | C2 | C3 | 34.4° | 6.9° |
| O1 | C1 | C2 | O4 | 146.3° | 173.0° |
| O1 | C1 | O2 | H81 | 0.0° | 0.0° |
| C1 | C2 | C3 | O4 | 179.3° | 180.0° |
| C1 | C2 | C3 | C4 | 9.9° | 11.0° |
| C1 | C2 | C3 | H3 | 170.1° | 169.1° |
| C1 | C2 | O4 | HO4 | 180.0° | 180.0° |
| C2 | C1 | O2 | H81 | 179.8° | 179.7° |
| O2 | C1 | C2 | C3 | 145.4° | 173.3° |
| O2 | C1 | C2 | O4 | 33.9° | 6.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.6° | 135.9° |
| C2 | C3 | C4 | C9 | 179.8° | 44.3° |
| C3 | C2 | O4 | HO4 | 0.6° | 0.0° |
| O4 | C2 | C3 | C4 | 170.8° | 169.1° |
| O4 | C2 | C3 | H3 | 9.2° | 10.9° |
| C3 | C4 | C5 | C9 | 179.6° | 179.8° |
| C3 | C4 | C5 | C6 | 179.4° | 179.9° |
| C3 | C4 | C5 | H5 | 0.6° | 0.0° |
| C3 | C4 | C9 | C8 | 179.7° | 179.7° |
| C3 | C4 | C9 | H9 | 0.3° | 0.0° |
| H3 | C3 | C4 | C5 | 179.4° | 44.1° |
| H3 | C3 | C4 | C9 | 0.2° | 135.7° |
| O3 | C7 | C6 | C5 | 179.5° | 180.0° |
| O3 | C7 | C6 | C8 | 179.5° | 180.0° |
| O3 | C7 | C6 | H6 | 0.5° | 0.1° |
| O3 | C7 | C8 | C9 | 179.7° | 179.7° |
| O3 | C7 | C8 | H8 | 0.3° | 0.0° |
| HO3 | O3 | C7 | C6 | 180.0° | 90.1° |
| HO3 | O3 | C7 | C8 | 0.5° | 90.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C9 | C8 | 0.0° | 0.5° |
| C5 | C4 | C9 | H9 | 179.9° | 179.8° |
| C9 | C4 | C5 | C6 | 0.2° | 0.3° |
| C9 | C4 | C5 | H5 | 179.8° | 179.8° |
| C4 | C9 | C8 | C7 | 0.3° | 0.5° |
| C4 | C9 | C8 | H9 | 180.0° | 179.7° |
| C4 | C9 | C8 | H8 | 179.7° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.0° | 0.1° |
| H5 | C5 | C6 | C7 | 179.7° | 180.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.1° |
| C6 | C7 | C8 | C9 | 0.3° | 0.3° |
| C6 | C7 | C8 | H8 | 179.8° | 179.9° |
| H6 | C6 | C7 | C8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | H9 | 179.7° | 179.7° |
| H8 | C8 | C9 | H9 | 0.3° | 0.0° |
