Z7Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.35Å | 1.35Å | |
| O1 | H1O | sing | 0.97Å | 0.95Å | |
| C1 | O2 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.48Å | 1.48Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C4 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.48Å | 1.49Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H91 | sing | 1.08Å | 1.08Å | |
| C10 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | H1O | 109.5° | 117.0° |
| O1 | C1 | O2 | 121.2° | 120.0° |
| O1 | C1 | C2 | 122.5° | 120.0° |
| O2 | C1 | C2 | 116.2° | 120.0° |
| C1 | C2 | C3 | 119.8° | 120.0° |
| C1 | C2 | C5 | 121.4° | 120.0° |
| C3 | C2 | C5 | 118.7° | 120.0° |
| C2 | C3 | C4 | 121.2° | 120.0° |
| C2 | C3 | H31 | 119.4° | 120.0° |
| C2 | C5 | C6 | 120.6° | 119.9° |
| C2 | C5 | H51 | 119.7° | 120.1° |
| C4 | C3 | H31 | 119.4° | 120.0° |
| C3 | C4 | C7 | 119.7° | 120.0° |
| C3 | C4 | H41 | 120.2° | 120.0° |
| C7 | C4 | H41 | 120.2° | 120.0° |
| C4 | C7 | C6 | 120.6° | 120.1° |
| C4 | C7 | C8 | 118.8° | 120.0° |
| C6 | C5 | H51 | 119.7° | 120.0° |
| C5 | C6 | C7 | 119.2° | 120.0° |
| C5 | C6 | H61 | 120.4° | 120.0° |
| C7 | C6 | H61 | 120.4° | 120.0° |
| C6 | C7 | C8 | 120.6° | 119.9° |
| C7 | C8 | C9 | 120.1° | 120.2° |
| C7 | C8 | C10 | 120.7° | 120.1° |
| C9 | C8 | C10 | 119.2° | 119.7° |
| C8 | C9 | C11 | 120.9° | 119.9° |
| C8 | C9 | H91 | 119.6° | 120.1° |
| C8 | C10 | C12 | 120.5° | 119.9° |
| C8 | C10 | H101 | 119.7° | 120.0° |
| C11 | C9 | H91 | 119.6° | 120.1° |
| C9 | C11 | C13 | 119.6° | 120.2° |
| C9 | C11 | H111 | 120.2° | 119.9° |
| C12 | C10 | H101 | 119.8° | 120.1° |
| C10 | C12 | C13 | 119.8° | 120.1° |
| C10 | C12 | H121 | 120.1° | 119.9° |
| C13 | C11 | H111 | 120.2° | 119.9° |
| C11 | C13 | C12 | 119.9° | 120.3° |
| C11 | C13 | H131 | 120.0° | 119.9° |
| C13 | C12 | H121 | 120.1° | 120.0° |
| C12 | C13 | H131 | 120.0° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.8° | 179.9° |
| O1 | C1 | C2 | C3 | 5.5° | 180.0° |
| O1 | C1 | C2 | C5 | 173.9° | 0.2° |
| H1O | O1 | C1 | O2 | 0.0° | 0.1° |
| H1O | O1 | C1 | C2 | 179.8° | 180.0° |
| O2 | C1 | C2 | C3 | 174.8° | 0.0° |
| O2 | C1 | C2 | C5 | 5.8° | 179.7° |
| C1 | C2 | C3 | C5 | 179.4° | 179.7° |
| C1 | C2 | C3 | C4 | 179.2° | 180.0° |
| C1 | C2 | C3 | H31 | 0.7° | 0.0° |
| C1 | C2 | C5 | C6 | 179.2° | 180.0° |
| C1 | C2 | C5 | H51 | 0.7° | 0.0° |
| C2 | C3 | C4 | H31 | 180.0° | 180.0° |
| C2 | C3 | C4 | C7 | 0.1° | 0.0° |
| C2 | C3 | C4 | H41 | 179.9° | 180.0° |
| C3 | C2 | C5 | C6 | 0.1° | 0.3° |
| C3 | C2 | C5 | H51 | 179.9° | 179.7° |
| C5 | C2 | C3 | C4 | 0.2° | 0.3° |
| C5 | C2 | C3 | H31 | 179.8° | 179.7° |
| C2 | C5 | C6 | H51 | 180.0° | 180.0° |
| C2 | C5 | C6 | C7 | 0.1° | 0.0° |
| C2 | C5 | C6 | H61 | 179.9° | 179.9° |
| C3 | C4 | C7 | H41 | 180.0° | 180.0° |
| C3 | C4 | C7 | C6 | 0.1° | 0.3° |
| C3 | C4 | C7 | C8 | 177.0° | 180.0° |
| H31 | C3 | C4 | C7 | 179.9° | 180.0° |
| H31 | C3 | C4 | H41 | 0.1° | 0.0° |
| C4 | C7 | C6 | C5 | 0.1° | 0.3° |
| C4 | C7 | C6 | C8 | 177.0° | 179.8° |
| C4 | C7 | C6 | H61 | 180.0° | 179.7° |
| C4 | C7 | C8 | C9 | 21.6° | 180.0° |
| C4 | C7 | C8 | C10 | 157.3° | 0.2° |
| H41 | C4 | C7 | C6 | 179.9° | 179.7° |
| H41 | C4 | C7 | C8 | 3.0° | 0.0° |
| C5 | C6 | C7 | H61 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 177.0° | 180.0° |
| H51 | C5 | C6 | C7 | 179.9° | 180.0° |
| H51 | C5 | C6 | H61 | 0.1° | 0.0° |
| C6 | C7 | C8 | C9 | 155.5° | 0.2° |
| C6 | C7 | C8 | C10 | 25.6° | 180.0° |
| H61 | C6 | C7 | C8 | 3.0° | 0.1° |
| C7 | C8 | C9 | C10 | 178.9° | 179.8° |
| C7 | C8 | C9 | C11 | 178.8° | 180.0° |
| C7 | C8 | C9 | H91 | 1.2° | 0.0° |
| C7 | C8 | C10 | C12 | 178.6° | 180.0° |
| C7 | C8 | C10 | H101 | 1.4° | 0.0° |
| C8 | C9 | C11 | H91 | 180.0° | 180.0° |
| C9 | C8 | C10 | C12 | 0.3° | 0.2° |
| C9 | C8 | C10 | H101 | 179.7° | 179.7° |
| C8 | C9 | C11 | C13 | 0.1° | 0.1° |
| C8 | C9 | C11 | H111 | 179.9° | 180.0° |
| C10 | C8 | C9 | C11 | 0.1° | 0.2° |
| C10 | C8 | C9 | H91 | 179.8° | 179.8° |
| C8 | C10 | C12 | H101 | 180.0° | 179.9° |
| C8 | C10 | C12 | C13 | 0.2° | 0.1° |
| C8 | C10 | C12 | H121 | 179.8° | 180.0° |
| C9 | C11 | C13 | H111 | 180.0° | 179.9° |
| C9 | C11 | C13 | C12 | 0.1° | 0.4° |
| C9 | C11 | C13 | H131 | 179.9° | 180.0° |
| H91 | C9 | C11 | C13 | 180.0° | 179.9° |
| H91 | C9 | C11 | H111 | 0.0° | 0.0° |
| C10 | C12 | C13 | C11 | 0.0° | 0.4° |
| C10 | C12 | C13 | H121 | 180.0° | 179.9° |
| C10 | C12 | C13 | H131 | 180.0° | 180.0° |
| H101 | C10 | C12 | C13 | 179.8° | 180.0° |
| H101 | C10 | C12 | H121 | 0.3° | 0.0° |
| C11 | C13 | C12 | H131 | 180.0° | 179.7° |
| C11 | C13 | C12 | H121 | 180.0° | 179.7° |
| H111 | C11 | C13 | C12 | 179.9° | 179.7° |
| H111 | C11 | C13 | H131 | 0.1° | 0.1° |
| H121 | C12 | C13 | H131 | 0.0° | 0.0° |
