3Z7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | O7 | sing | 1.43Å | 1.43Å | |
| O7 | C1 | sing | 1.36Å | 1.37Å | |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| BR8 | C5 | sing | 1.89Å | 1.90Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | O9 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| O9 | H14 | sing | 0.97Å | 0.95Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | O7 | C1 | 117.9° | 117.0° |
| O7 | C10 | H15 | 109.5° | 109.5° |
| O7 | C10 | H16 | 109.5° | 109.5° |
| O7 | C10 | H17 | 109.5° | 109.5° |
| O7 | C1 | C2 | 124.9° | 120.1° |
| O7 | C1 | C3 | 114.7° | 120.1° |
| C1 | C2 | C5 | 119.0° | 120.0° |
| C2 | C1 | C3 | 120.3° | 119.8° |
| C1 | C2 | H11 | 120.5° | 119.9° |
| C2 | C5 | BR8 | 118.6° | 119.9° |
| C2 | C5 | C6 | 122.0° | 120.2° |
| C5 | C2 | H11 | 120.5° | 120.1° |
| C1 | C3 | O9 | 120.2° | 120.1° |
| C1 | C3 | C4 | 119.5° | 119.9° |
| BR8 | C5 | C6 | 119.5° | 119.9° |
| C5 | C6 | C4 | 119.0° | 120.1° |
| C5 | C6 | H13 | 120.5° | 119.9° |
| O9 | C3 | C4 | 120.3° | 120.1° |
| C3 | O9 | H14 | 109.5° | 114.0° |
| C3 | C4 | C6 | 120.3° | 120.1° |
| C3 | C4 | H12 | 119.9° | 120.0° |
| C6 | C4 | H12 | 119.8° | 120.0° |
| C4 | C6 | H13 | 120.5° | 120.0° |
| H15 | C10 | H16 | 109.4° | 109.5° |
| H15 | C10 | H17 | 109.5° | 109.4° |
| H16 | C10 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | O7 | C1 | C2 | 6.8° | 0.3° |
| C10 | O7 | C1 | C3 | 170.3° | 180.0° |
| O7 | C10 | H15 | H16 | 120.0° | 120.0° |
| O7 | C10 | H15 | H17 | 120.0° | 120.0° |
| O7 | C10 | H16 | H17 | 120.0° | 120.0° |
| O7 | C1 | C2 | C3 | 176.9° | 179.8° |
| O7 | C1 | C2 | C5 | 175.8° | 179.7° |
| O7 | C1 | C3 | O9 | 1.6° | 0.2° |
| O7 | C1 | C3 | C4 | 176.1° | 179.7° |
| O7 | C1 | C2 | H11 | 4.2° | 0.3° |
| C1 | O7 | C10 | H15 | 180.0° | 60.0° |
| C1 | O7 | C10 | H16 | 60.0° | 60.0° |
| C1 | O7 | C10 | H17 | 60.0° | 180.0° |
| C1 | C2 | C5 | H11 | 180.0° | 180.0° |
| C1 | C2 | C5 | BR8 | 179.1° | 180.0° |
| C1 | C2 | C5 | C6 | 0.3° | 0.0° |
| C2 | C1 | C3 | O9 | 178.9° | 179.9° |
| C2 | C1 | C3 | C4 | 1.2° | 0.1° |
| C5 | C2 | C1 | C3 | 1.1° | 0.0° |
| C2 | C5 | BR8 | C6 | 178.9° | 179.9° |
| C2 | C5 | C6 | C4 | 0.6° | 0.0° |
| C2 | C5 | C6 | H13 | 179.4° | 180.0° |
| C1 | C3 | O9 | C4 | 177.7° | 179.9° |
| C1 | C3 | C4 | C6 | 0.3° | 0.1° |
| C3 | C1 | C2 | H11 | 178.9° | 180.0° |
| C1 | C3 | C4 | H12 | 179.7° | 180.0° |
| C1 | C3 | O9 | H14 | 180.0° | 90.0° |
| BR8 | C5 | C6 | C4 | 178.3° | 180.0° |
| BR8 | C5 | C2 | H11 | 0.9° | 0.0° |
| BR8 | C5 | C6 | H13 | 1.7° | 0.1° |
| C5 | C6 | C4 | C3 | 0.5° | 0.0° |
| C5 | C6 | C4 | H13 | 180.0° | 179.9° |
| C6 | C5 | C2 | H11 | 179.7° | 180.0° |
| C5 | C6 | C4 | H12 | 179.5° | 180.0° |
| O9 | C3 | C4 | C6 | 178.0° | 179.9° |
| O9 | C3 | C4 | H12 | 2.0° | 0.1° |
| C3 | C4 | C6 | H12 | 180.0° | 180.0° |
| C3 | C4 | C6 | H13 | 179.5° | 180.0° |
| C4 | C3 | O9 | H14 | 2.3° | 90.1° |
| H12 | C4 | C6 | H13 | 0.5° | 0.0° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
