9ZE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | O7 | sing | 1.43Å | 1.45Å | |
| C10 | O9 | sing | 1.43Å | 1.46Å | |
| O7 | C4 | sing | 1.36Å | 1.33Å | |
| O9 | C6 | sing | 1.36Å | 1.34Å | |
| C4 | C6 | doub | 1.39Å | 1.50Å | Aromatic |
| C4 | C2 | sing | 1.39Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.32Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.49Å | Aromatic |
| C5 | C3 | doub | 1.40Å | 1.50Å | Aromatic |
| C1 | C3 | sing | 1.40Å | 1.33Å | Aromatic |
| C3 | C11 | sing | 1.47Å | 1.49Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | O13 | doub | 1.21Å | 1.23Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C8 | O7 | 111.3° | 108.3° |
| C8 | C10 | O9 | 110.6° | 108.4° |
| C10 | C8 | H4 | 109.0° | 109.7° |
| C10 | C8 | H5 | 109.0° | 109.7° |
| C8 | C10 | H6 | 109.2° | 109.7° |
| C8 | C10 | H7 | 109.2° | 109.7° |
| C8 | O7 | C4 | 121.2° | 116.8° |
| O7 | C8 | H4 | 109.0° | 109.9° |
| O7 | C8 | H5 | 109.0° | 109.6° |
| C10 | O9 | C6 | 119.8° | 116.8° |
| O9 | C10 | H6 | 109.2° | 109.5° |
| O9 | C10 | H7 | 109.2° | 109.8° |
| O7 | C4 | C6 | 118.2° | 120.7° |
| O7 | C4 | C2 | 120.0° | 119.3° |
| O9 | C6 | C4 | 119.3° | 120.7° |
| O9 | C6 | C5 | 120.4° | 119.3° |
| C6 | C4 | C2 | 120.4° | 120.0° |
| C4 | C6 | C5 | 120.2° | 120.0° |
| C4 | C2 | C1 | 119.3° | 120.4° |
| C4 | C2 | H2 | 120.4° | 119.8° |
| C6 | C5 | C3 | 119.4° | 120.0° |
| C6 | C5 | H3 | 120.3° | 120.0° |
| C2 | C1 | C3 | 120.4° | 119.9° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H2 | 120.4° | 119.8° |
| C5 | C3 | C1 | 120.3° | 119.7° |
| C5 | C3 | C11 | 120.1° | 120.1° |
| C3 | C5 | H3 | 120.3° | 120.0° |
| C1 | C3 | C11 | 117.0° | 120.1° |
| C3 | C1 | H1 | 119.8° | 120.1° |
| C3 | C11 | C12 | 119.1° | 120.0° |
| C3 | C11 | O13 | 120.2° | 120.0° |
| C12 | C11 | O13 | 120.7° | 120.0° |
| C11 | C12 | H8 | 109.5° | 109.4° |
| C11 | C12 | H9 | 109.5° | 109.5° |
| C11 | C12 | H10 | 109.5° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.7° |
| H6 | C10 | H7 | 109.5° | 109.8° |
| H8 | C12 | H9 | 109.4° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C8 | O7 | H4 | 120.3° | 119.8° |
| C10 | C8 | O7 | H5 | 120.3° | 119.6° |
| C8 | C10 | O9 | H6 | 120.2° | 119.6° |
| C8 | C10 | O9 | H7 | 120.2° | 119.8° |
| C10 | C8 | O7 | C4 | 38.9° | 46.4° |
| C8 | C10 | O9 | C6 | 41.9° | 45.8° |
| C10 | C8 | H4 | H5 | 119.2° | 120.6° |
| C8 | C10 | H6 | H7 | 119.5° | 120.6° |
| O7 | C8 | C10 | O9 | 46.8° | 59.6° |
| C8 | O7 | C4 | C6 | 20.5° | 17.5° |
| C8 | O7 | C4 | C2 | 173.2° | 162.5° |
| O7 | C8 | H4 | H5 | 119.1° | 120.5° |
| O7 | C8 | C10 | H6 | 167.0° | 59.9° |
| O7 | C8 | C10 | H7 | 73.3° | 179.5° |
| C10 | O9 | C6 | C4 | 24.0° | 16.9° |
| C10 | O9 | C6 | C5 | 153.7° | 163.0° |
| O9 | C10 | C8 | H4 | 167.1° | 179.5° |
| O9 | C10 | C8 | H5 | 73.5° | 59.9° |
| O9 | C10 | H6 | H7 | 119.5° | 120.6° |
| O7 | C4 | C6 | O9 | 11.4° | 0.3° |
| O7 | C4 | C6 | C2 | 166.3° | 179.9° |
| O7 | C4 | C6 | C5 | 166.3° | 179.6° |
| O7 | C4 | C2 | C1 | 166.1° | 179.9° |
| O7 | C4 | C2 | H2 | 13.9° | 0.0° |
| C4 | O7 | C8 | H4 | 159.2° | 166.1° |
| C4 | O7 | C8 | H5 | 81.4° | 73.2° |
| O9 | C6 | C4 | C5 | 177.7° | 179.9° |
| O9 | C6 | C4 | C2 | 177.7° | 179.6° |
| O9 | C6 | C5 | C3 | 177.8° | 179.4° |
| O9 | C6 | C5 | H3 | 2.2° | 0.0° |
| C6 | O9 | C10 | H6 | 162.1° | 73.8° |
| C6 | O9 | C10 | H7 | 78.3° | 165.6° |
| C6 | C4 | C2 | C1 | 0.1° | 0.2° |
| C4 | C6 | C5 | C3 | 0.1° | 0.7° |
| C6 | C4 | C2 | H2 | 179.9° | 179.9° |
| C4 | C6 | C5 | H3 | 179.9° | 179.9° |
| C2 | C4 | C6 | C5 | 0.0° | 0.5° |
| C4 | C2 | C1 | H2 | 180.0° | 179.9° |
| C4 | C2 | C1 | C3 | 0.0° | 0.0° |
| C4 | C2 | C1 | H1 | 179.9° | 179.7° |
| C6 | C5 | C3 | H3 | 180.0° | 179.4° |
| C6 | C5 | C3 | C1 | 0.2° | 0.6° |
| C6 | C5 | C3 | C11 | 160.7° | 179.4° |
| C2 | C1 | C3 | C5 | 0.1° | 0.3° |
| C2 | C1 | C3 | H1 | 180.0° | 179.7° |
| C2 | C1 | C3 | C11 | 161.3° | 179.7° |
| C5 | C3 | C1 | C11 | 161.4° | 180.0° |
| C5 | C3 | C11 | C12 | 13.3° | 5.5° |
| C5 | C3 | C11 | O13 | 167.2° | 174.5° |
| C5 | C3 | C1 | H1 | 179.9° | 179.9° |
| C1 | C3 | C11 | C12 | 148.1° | 174.5° |
| C1 | C3 | C11 | O13 | 31.3° | 5.5° |
| C3 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C3 | C5 | H3 | 179.8° | 180.0° |
| C3 | C11 | C12 | O13 | 179.5° | 180.0° |
| C11 | C3 | C1 | H1 | 18.6° | 0.0° |
| C11 | C3 | C5 | H3 | 19.3° | 0.0° |
| C3 | C11 | C12 | H8 | 179.4° | 5.1° |
| C3 | C11 | C12 | H9 | 59.5° | 125.1° |
| C3 | C11 | C12 | H10 | 60.5° | 114.9° |
| C11 | C12 | H8 | H9 | 120.0° | 120.0° |
| C11 | C12 | H8 | H10 | 120.0° | 119.9° |
| C11 | C12 | H9 | H10 | 120.0° | 120.0° |
| O13 | C11 | C12 | H8 | 0.0° | 174.9° |
| O13 | C11 | C12 | H9 | 120.0° | 54.9° |
| O13 | C11 | C12 | H10 | 120.0° | 65.1° |
| H1 | C1 | C2 | H2 | 0.1° | 0.4° |
| H4 | C8 | C10 | H6 | 72.7° | 60.0° |
| H4 | C8 | C10 | H7 | 46.9° | 60.6° |
| H5 | C8 | C10 | H6 | 46.7° | 179.4° |
| H5 | C8 | C10 | H7 | 166.4° | 60.0° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
