IP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.36Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | 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 | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C9 | 109.7° | 109.5° |
| C8 | C7 | C2 | 109.8° | 109.4° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| C8 | C7 | H7 | 109.0° | 109.4° |
| C9 | C7 | C2 | 109.0° | 109.5° |
| C9 | C7 | H7 | 109.7° | 109.5° |
| C7 | C9 | H9 | 109.5° | 109.5° |
| C7 | C9 | H9A | 109.5° | 109.5° |
| C7 | C9 | H9B | 109.5° | 109.5° |
| C7 | C2 | C3 | 119.5° | 120.0° |
| C7 | C2 | C1 | 120.9° | 120.0° |
| C2 | C7 | H7 | 109.7° | 109.5° |
| C3 | C2 | C1 | 119.5° | 120.0° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C2 | C1 | C6 | 120.0° | 119.8° |
| C2 | C1 | O1 | 119.8° | 120.1° |
| C3 | C4 | C5 | 119.8° | 120.1° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C3 | C4 | H4 | 120.1° | 119.9° |
| C4 | C5 | C6 | 119.8° | 120.0° |
| C5 | C4 | H4 | 120.1° | 119.9° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | C1 | 120.4° | 120.0° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C6 | C1 | O1 | 120.1° | 120.1° |
| C1 | C6 | H6 | 119.8° | 120.0° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| H8 | C8 | H8A | 109.4° | 109.4° |
| H8 | C8 | H8B | 109.4° | 109.4° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.4° | 109.5° |
| H9 | C9 | H9B | 109.4° | 109.4° |
| H9A | C9 | H9B | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C9 | C2 | 120.2° | 119.9° |
| C8 | C7 | C9 | H7 | 119.7° | 120.0° |
| C8 | C7 | C2 | H7 | 119.7° | 120.0° |
| C8 | C7 | C2 | C3 | 75.2° | 60.0° |
| C8 | C7 | C2 | C1 | 105.2° | 119.8° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8B | 120.0° | 120.1° |
| C8 | C7 | C9 | H9 | 53.6° | 60.0° |
| C8 | C7 | C9 | H9A | 173.6° | 180.0° |
| C8 | C7 | C9 | H9B | 66.3° | 60.0° |
| C9 | C7 | C2 | H7 | 120.1° | 120.1° |
| C9 | C7 | C2 | C3 | 45.0° | 59.9° |
| C9 | C7 | C2 | C1 | 134.6° | 120.3° |
| C9 | C7 | C8 | H8 | 92.6° | 60.0° |
| C9 | C7 | C8 | H8A | 27.4° | 60.0° |
| C9 | C7 | C8 | H8B | 147.4° | 180.0° |
| C7 | C9 | H9 | H9A | 120.0° | 120.0° |
| C7 | C9 | H9 | H9B | 120.0° | 120.0° |
| C7 | C9 | H9A | H9B | 120.0° | 120.0° |
| C7 | C2 | C3 | C1 | 179.5° | 179.8° |
| C7 | C2 | C3 | C4 | 179.8° | 180.0° |
| C7 | C2 | C1 | C6 | 179.7° | 179.7° |
| C7 | C2 | C1 | O1 | 0.4° | 0.1° |
| C2 | C7 | C8 | H8 | 147.7° | 60.0° |
| C2 | C7 | C8 | H8A | 92.3° | 180.0° |
| C2 | C7 | C8 | H8B | 27.7° | 60.0° |
| C2 | C7 | C9 | H9 | 173.8° | 60.0° |
| C2 | C7 | C9 | H9A | 66.2° | 60.0° |
| C2 | C7 | C9 | H9B | 53.9° | 179.9° |
| C7 | C2 | C3 | H3 | 0.2° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | C6 | 0.2° | 0.5° |
| C3 | C2 | C1 | O1 | 179.9° | 179.7° |
| C3 | C2 | C7 | H7 | 165.1° | 180.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.2° |
| C2 | C1 | C6 | C5 | 0.0° | 0.6° |
| C2 | C1 | C6 | O1 | 179.9° | 179.7° |
| C1 | C2 | C7 | H7 | 14.5° | 0.2° |
| C1 | C2 | C3 | H3 | 179.7° | 179.8° |
| C2 | C1 | C6 | H6 | 179.9° | 179.8° |
| C2 | C1 | O1 | HO1 | 175.7° | 90.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.3° |
| C5 | C4 | C3 | H3 | 179.9° | 179.9° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C5 | C6 | C1 | H6 | 180.0° | 179.7° |
| C5 | C6 | C1 | O1 | 179.9° | 179.7° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C1 | C6 | C5 | H5 | 179.8° | 179.7° |
| C6 | C1 | O1 | HO1 | 4.4° | 89.7° |
| O1 | C1 | C6 | H6 | 0.2° | 0.0° |
| H8 | C8 | H8A | H8B | 119.9° | 119.9° |
| H8 | C8 | C7 | H7 | 27.5° | 180.0° |
| H8A | C8 | C7 | H7 | 147.5° | 60.0° |
| H8B | C8 | C7 | H7 | 92.5° | 60.0° |
| H7 | C7 | C9 | H9 | 66.1° | 180.0° |
| H7 | C7 | C9 | H9A | 53.9° | 60.0° |
| H7 | C7 | C9 | H9B | 174.0° | 60.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
