8ZE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | O7 | sing | 1.43Å | 1.46Å | |
| C9 | O10 | sing | 1.43Å | 1.46Å | |
| O7 | C6 | sing | 1.36Å | 1.33Å | |
| O10 | C11 | sing | 1.36Å | 1.33Å | |
| C6 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | O7 | 109.9° | 108.3° |
| C8 | C9 | O10 | 111.7° | 108.2° |
| C9 | C8 | H6 | 109.3° | 109.7° |
| C9 | C8 | H7 | 109.4° | 109.7° |
| C8 | C9 | H8 | 108.9° | 109.7° |
| C8 | C9 | H9 | 108.9° | 109.7° |
| C8 | O7 | C6 | 120.4° | 116.7° |
| O7 | C8 | H6 | 109.4° | 109.7° |
| O7 | C8 | H7 | 109.4° | 109.7° |
| C9 | O10 | C11 | 122.5° | 116.8° |
| O10 | C9 | H8 | 108.9° | 109.7° |
| O10 | C9 | H9 | 108.9° | 109.8° |
| O7 | C6 | C11 | 120.2° | 120.8° |
| O7 | C6 | C5 | 118.9° | 119.4° |
| O10 | C11 | C6 | 120.2° | 120.7° |
| O10 | C11 | C12 | 119.8° | 119.4° |
| C11 | C6 | C5 | 121.0° | 119.8° |
| C6 | C11 | C12 | 120.0° | 119.8° |
| C6 | C5 | C4 | 119.3° | 120.1° |
| C6 | C5 | H5 | 120.4° | 119.9° |
| C11 | C12 | C3 | 118.5° | 120.0° |
| C11 | C12 | H10 | 120.7° | 119.9° |
| C5 | C4 | C3 | 119.8° | 120.1° |
| C5 | C4 | H4 | 120.1° | 119.9° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C12 | C3 | C4 | 121.5° | 120.2° |
| C12 | C3 | C2 | 119.6° | 119.9° |
| C3 | C12 | H10 | 120.7° | 120.0° |
| C4 | C3 | C2 | 118.9° | 119.9° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C3 | C2 | O1 | 111.0° | 109.5° |
| C3 | C2 | H2 | 109.1° | 109.5° |
| C3 | C2 | H3 | 109.1° | 109.5° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| O1 | C2 | H2 | 109.1° | 109.5° |
| O1 | C2 | H3 | 109.1° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| H6 | C8 | H7 | 109.4° | 109.7° |
| H8 | C9 | H9 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | O7 | H6 | 120.1° | 119.7° |
| C9 | C8 | O7 | H7 | 120.1° | 119.7° |
| C8 | C9 | O10 | H8 | 120.3° | 119.7° |
| C8 | C9 | O10 | H9 | 120.4° | 119.7° |
| C9 | C8 | O7 | C6 | 41.4° | 46.2° |
| C8 | C9 | O10 | C11 | 26.0° | 46.3° |
| C9 | C8 | H6 | H7 | 119.8° | 120.6° |
| C8 | C9 | H8 | H9 | 119.0° | 120.6° |
| O7 | C8 | C9 | O10 | 41.8° | 59.7° |
| C8 | O7 | C6 | C11 | 20.4° | 17.3° |
| C8 | O7 | C6 | C5 | 159.4° | 163.2° |
| O7 | C8 | H6 | H7 | 119.8° | 120.6° |
| O7 | C8 | C9 | H8 | 78.6° | 60.0° |
| O7 | C8 | C9 | H9 | 162.1° | 179.4° |
| C9 | O10 | C11 | C6 | 3.9° | 17.4° |
| C9 | O10 | C11 | C12 | 175.6° | 162.7° |
| O10 | C9 | C8 | H6 | 78.3° | 179.4° |
| O10 | C9 | C8 | H7 | 161.9° | 60.0° |
| O10 | C9 | H8 | H9 | 119.0° | 120.7° |
| O7 | C6 | C11 | O10 | 0.5° | 0.5° |
| O7 | C6 | C11 | C5 | 179.9° | 179.5° |
| O7 | C6 | C11 | C12 | 180.0° | 179.5° |
| O7 | C6 | C5 | C4 | 180.0° | 179.3° |
| O7 | C6 | C5 | H5 | 0.0° | 0.7° |
| C6 | O7 | C8 | H6 | 78.7° | 165.9° |
| C6 | O7 | C8 | H7 | 161.5° | 73.5° |
| O10 | C11 | C6 | C12 | 179.5° | 179.9° |
| O10 | C11 | C6 | C5 | 179.7° | 180.0° |
| O10 | C11 | C12 | C3 | 179.7° | 179.7° |
| C11 | O10 | C9 | H8 | 94.3° | 73.4° |
| C11 | O10 | C9 | H9 | 146.4° | 166.0° |
| O10 | C11 | C12 | H10 | 0.3° | 0.2° |
| C11 | C6 | C5 | C4 | 0.1° | 0.1° |
| C6 | C11 | C12 | C3 | 0.2° | 0.4° |
| C11 | C6 | C5 | H5 | 179.8° | 179.9° |
| C6 | C11 | C12 | H10 | 179.8° | 179.9° |
| C5 | C6 | C11 | C12 | 0.2° | 0.1° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C11 | C12 | C3 | H10 | 180.0° | 179.5° |
| C11 | C12 | C3 | C4 | 0.2° | 0.5° |
| C11 | C12 | C3 | C2 | 179.8° | 179.7° |
| C5 | C4 | C3 | C12 | 0.2° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 179.8° | 179.9° |
| C12 | C3 | C4 | C2 | 180.0° | 179.8° |
| C12 | C3 | C2 | O1 | 148.6° | 90.3° |
| C12 | C3 | C2 | H2 | 28.4° | 149.7° |
| C12 | C3 | C2 | H3 | 91.1° | 29.8° |
| C12 | C3 | C4 | H4 | 179.8° | 179.7° |
| C4 | C3 | C2 | O1 | 31.4° | 90.0° |
| C4 | C3 | C2 | H2 | 151.6° | 30.0° |
| C4 | C3 | C2 | H3 | 88.9° | 150.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C3 | C12 | H10 | 179.8° | 180.0° |
| C3 | C2 | O1 | H2 | 120.2° | 120.0° |
| C3 | C2 | O1 | H3 | 120.2° | 120.0° |
| C3 | C2 | O1 | H1 | 180.0° | 179.9° |
| C3 | C2 | H2 | H3 | 119.3° | 120.0° |
| C2 | C3 | C4 | H4 | 0.2° | 0.1° |
| C2 | C3 | C12 | H10 | 0.2° | 0.2° |
| O1 | C2 | H2 | H3 | 119.3° | 120.0° |
| H1 | O1 | C2 | H2 | 59.8° | 60.0° |
| H1 | O1 | C2 | H3 | 59.8° | 59.9° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H6 | C8 | C9 | H8 | 161.3° | 59.7° |
| H6 | C8 | C9 | H9 | 42.0° | 60.9° |
| H7 | C8 | C9 | H8 | 41.5° | 179.6° |
| H7 | C8 | C9 | H9 | 77.8° | 59.8° |
