718
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C3 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.52Å | 1.53Å | |
| C2 | C3 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| O1 | C1 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C4 | C10 | sing | 1.47Å | 1.51Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | O11 | doub | 1.21Å | 1.23Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C7 | C8 | 111.0° | 111.4° |
| C7 | C3 | C2 | 119.6° | 119.0° |
| C7 | C3 | C4 | 121.1° | 121.5° |
| C3 | C7 | H3 | 109.1° | 109.1° |
| C3 | C7 | H4 | 109.1° | 109.1° |
| C7 | C8 | C9 | 112.1° | 109.6° |
| C8 | C7 | H3 | 109.1° | 109.3° |
| C8 | C7 | H4 | 109.1° | 108.8° |
| C7 | C8 | H5 | 108.8° | 109.5° |
| C7 | C8 | H6 | 108.8° | 109.5° |
| C3 | C2 | C1 | 120.2° | 120.5° |
| C2 | C3 | C4 | 119.3° | 119.4° |
| C3 | C2 | H9 | 119.9° | 119.8° |
| C2 | C1 | O1 | 121.0° | 119.8° |
| C2 | C1 | C6 | 120.4° | 120.4° |
| C1 | C2 | H9 | 119.9° | 119.8° |
| O1 | C1 | C6 | 118.6° | 119.8° |
| C1 | O1 | H10 | 109.5° | 114.0° |
| C3 | C4 | C10 | 119.9° | 120.1° |
| C3 | C4 | C5 | 120.1° | 120.2° |
| C1 | C6 | C5 | 119.7° | 119.7° |
| C1 | C6 | H2 | 120.1° | 120.1° |
| C8 | C9 | C10 | 112.1° | 107.4° |
| C9 | C8 | H5 | 108.8° | 109.8° |
| C9 | C8 | H6 | 108.8° | 109.0° |
| C8 | C9 | H7 | 108.8° | 109.9° |
| C8 | C9 | H8 | 108.8° | 109.9° |
| C9 | C10 | C4 | 119.5° | 117.7° |
| C9 | C10 | O11 | 120.5° | 121.1° |
| C10 | C9 | H7 | 108.8° | 109.9° |
| C10 | C9 | H8 | 108.8° | 109.9° |
| C10 | C4 | C5 | 119.9° | 119.6° |
| C4 | C10 | O11 | 120.0° | 121.2° |
| C4 | C5 | C6 | 120.3° | 119.8° |
| C4 | C5 | H1 | 119.8° | 120.1° |
| C6 | C5 | H1 | 119.9° | 120.1° |
| C5 | C6 | H2 | 120.2° | 120.1° |
| H3 | C7 | H4 | 109.4° | 109.1° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C7 | C8 | H3 | 120.2° | 120.6° |
| C3 | C7 | C8 | H4 | 120.3° | 120.3° |
| C7 | C3 | C2 | C4 | 179.9° | 179.8° |
| C7 | C3 | C2 | C1 | 179.9° | 179.4° |
| C3 | C7 | C8 | C9 | 55.6° | 54.1° |
| C7 | C3 | C4 | C10 | 0.3° | 0.4° |
| C7 | C3 | C4 | C5 | 179.9° | 179.9° |
| C3 | C7 | H3 | H4 | 119.3° | 119.1° |
| C3 | C7 | C8 | H5 | 176.0° | 174.5° |
| C3 | C7 | C8 | H6 | 64.8° | 65.4° |
| C7 | C3 | C2 | H9 | 0.1° | 0.3° |
| C8 | C7 | C3 | C2 | 149.5° | 157.7° |
| C8 | C7 | C3 | C4 | 30.6° | 22.1° |
| C7 | C8 | C9 | H5 | 120.4° | 120.3° |
| C7 | C8 | C9 | H6 | 120.4° | 119.8° |
| C7 | C8 | C9 | C10 | 50.4° | 63.8° |
| C8 | C7 | H3 | H4 | 119.3° | 118.9° |
| C7 | C8 | H5 | H6 | 118.8° | 120.1° |
| C7 | C8 | C9 | H7 | 70.0° | 55.7° |
| C7 | C8 | C9 | H8 | 170.8° | 176.7° |
| C3 | C2 | C1 | H9 | 180.0° | 179.7° |
| C3 | C2 | C1 | O1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.1° | 0.9° |
| C2 | C3 | C4 | C10 | 179.8° | 179.4° |
| C2 | C3 | C4 | C5 | 0.2° | 0.3° |
| C2 | C3 | C7 | H3 | 90.3° | 36.9° |
| C2 | C3 | C7 | H4 | 29.3° | 82.3° |
| C2 | C1 | O1 | C6 | 180.0° | 179.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.8° |
| C2 | C1 | C6 | C5 | 0.0° | 0.5° |
| C2 | C1 | C6 | H2 | 180.0° | 179.5° |
| C2 | C1 | O1 | H10 | 180.0° | 90.0° |
| O1 | C1 | C6 | C5 | 180.0° | 179.5° |
| O1 | C1 | C6 | H2 | 0.0° | 0.5° |
| O1 | C1 | C2 | H9 | 0.0° | 0.4° |
| C3 | C4 | C10 | C9 | 5.3° | 11.6° |
| C3 | C4 | C10 | C5 | 179.6° | 179.7° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C10 | O11 | 174.9° | 168.4° |
| C3 | C4 | C5 | H1 | 179.8° | 179.9° |
| C4 | C3 | C7 | H3 | 89.7° | 142.9° |
| C4 | C3 | C7 | H4 | 150.8° | 98.0° |
| C4 | C3 | C2 | H9 | 179.8° | 179.5° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | H1 | 179.9° | 180.0° |
| C6 | C1 | C2 | H9 | 179.9° | 179.4° |
| C6 | C1 | O1 | H10 | 0.1° | 91.0° |
| C8 | C9 | C10 | H7 | 120.4° | 119.5° |
| C8 | C9 | C10 | H8 | 120.4° | 119.4° |
| C8 | C9 | C10 | C4 | 20.0° | 42.6° |
| C8 | C9 | C10 | O11 | 159.8° | 137.4° |
| C9 | C8 | C7 | H3 | 64.6° | 174.7° |
| C9 | C8 | C7 | H4 | 175.9° | 66.2° |
| C9 | C8 | H5 | H6 | 118.8° | 119.6° |
| C8 | C9 | H7 | H8 | 118.8° | 121.0° |
| C9 | C10 | C4 | O11 | 179.7° | 180.0° |
| C9 | C10 | C4 | C5 | 174.2° | 168.7° |
| C10 | C9 | C8 | H5 | 170.8° | 175.9° |
| C10 | C9 | C8 | H6 | 70.0° | 56.0° |
| C10 | C9 | H7 | H8 | 118.8° | 121.1° |
| C10 | C4 | C5 | C6 | 179.7° | 179.8° |
| C10 | C4 | C5 | H1 | 0.2° | 0.2° |
| C4 | C10 | C9 | H7 | 100.4° | 76.9° |
| C4 | C10 | C9 | H8 | 140.4° | 162.1° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C5 | C4 | C10 | O11 | 5.5° | 11.3° |
| C4 | C5 | C6 | H2 | 179.9° | 180.0° |
| O11 | C10 | C9 | H7 | 79.9° | 103.1° |
| O11 | C10 | C9 | H8 | 39.4° | 18.0° |
| H1 | C5 | C6 | H2 | 0.1° | 0.0° |
| H3 | C7 | C8 | H5 | 55.8° | 64.9° |
| H3 | C7 | C8 | H6 | 175.0° | 55.2° |
| H4 | C7 | C8 | H5 | 63.7° | 54.2° |
| H4 | C7 | C8 | H6 | 55.5° | 174.3° |
| H5 | C8 | C9 | H7 | 50.4° | 64.5° |
| H5 | C8 | C9 | H8 | 68.8° | 56.5° |
| H6 | C8 | C9 | H7 | 169.6° | 175.5° |
| H6 | C8 | C9 | H8 | 50.4° | 63.4° |
