ZK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.81Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 121.7° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.1° |
| C4 | C3 | H3 | 119.1° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C3 | C2 | C7 | 118.5° | 120.0° |
| C2 | C3 | H3 | 119.2° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C1 | C2 | C7 | 121.4° | 120.0° |
| C2 | C1 | O1 | 120.2° | 109.5° |
| C2 | C1 | H1 | 106.7° | 109.5° |
| C2 | C1 | H2 | 106.7° | 109.5° |
| C2 | C7 | C6 | 119.0° | 120.0° |
| C2 | C7 | C8 | 121.2° | 120.0° |
| C5 | C6 | C7 | 121.3° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 119.3° | 120.0° |
| C6 | C7 | C8 | 119.8° | 120.0° |
| C7 | C6 | H6 | 119.3° | 120.0° |
| C7 | C8 | H7 | 109.5° | 109.4° |
| C7 | C8 | H8 | 109.5° | 109.4° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| O1 | C1 | H1 | 106.7° | 109.5° |
| O1 | C1 | H2 | 106.7° | 109.5° |
| C1 | O1 | H10 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H7 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.0° | 0.3° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | C7 | 180.0° | 179.7° |
| C3 | C2 | C7 | C6 | 0.0° | 0.5° |
| C3 | C2 | C7 | C8 | 180.0° | 179.7° |
| C3 | C2 | C1 | O1 | 106.0° | 0.3° |
| C3 | C2 | C1 | H1 | 132.5° | 120.3° |
| C3 | C2 | C1 | H2 | 15.5° | 119.7° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.0° | 0.2° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C1 | C2 | C7 | C6 | 179.9° | 179.8° |
| C1 | C2 | C7 | C8 | 0.1° | 0.1° |
| C2 | C1 | O1 | H1 | 121.5° | 120.0° |
| C2 | C1 | O1 | H2 | 121.5° | 120.0° |
| C2 | C1 | H1 | H2 | 115.2° | 120.0° |
| C1 | C2 | C3 | H3 | 0.0° | 0.1° |
| C2 | C1 | O1 | H10 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.5° |
| C2 | C7 | C6 | C8 | 180.0° | 179.8° |
| C7 | C2 | C1 | O1 | 73.9° | 180.0° |
| C7 | C2 | C1 | H1 | 47.6° | 60.0° |
| C7 | C2 | C1 | H2 | 164.6° | 59.9° |
| C7 | C2 | C3 | H3 | 179.9° | 179.7° |
| C2 | C7 | C6 | H6 | 180.0° | 179.7° |
| C2 | C7 | C8 | H7 | 90.0° | 90.0° |
| C2 | C7 | C8 | H8 | 150.0° | 150.0° |
| C2 | C7 | C8 | H9 | 30.0° | 30.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C5 | C6 | C7 | C8 | 179.9° | 179.8° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 180.0° | 179.8° |
| C6 | C7 | C8 | H7 | 90.0° | 89.8° |
| C6 | C7 | C8 | H8 | 30.0° | 30.2° |
| C6 | C7 | C8 | H9 | 150.0° | 150.2° |
| C8 | C7 | C6 | H6 | 0.1° | 0.0° |
| C7 | C8 | H7 | H8 | 120.0° | 120.0° |
| C7 | C8 | H7 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| O1 | C1 | H1 | H2 | 115.2° | 120.0° |
| H1 | C1 | O1 | H10 | 58.5° | 60.0° |
| H2 | C1 | O1 | H10 | 58.5° | 60.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| H7 | C8 | H8 | H9 | 120.0° | 120.0° |
