O7R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C1 | C2 | sing | 1.47Å | 1.49Å | |
| C1 | O | doub | 1.21Å | 1.23Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.52Å | 1.50Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.55Å | 1.52Å | |
| C6 | O1 | sing | 1.44Å | 1.46Å | |
| C5 | O1 | sing | 1.36Å | 1.38Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 119.2° | 120.0° |
| C | C1 | O | 120.5° | 120.0° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H6 | 109.5° | 109.4° |
| C2 | C1 | O | 120.3° | 120.0° |
| C1 | C2 | C3 | 121.3° | 120.3° |
| C1 | C2 | C9 | 119.7° | 120.2° |
| C3 | C2 | C9 | 119.1° | 119.4° |
| C2 | C3 | C4 | 121.0° | 120.0° |
| C2 | C3 | H2 | 119.5° | 120.0° |
| C2 | C9 | C8 | 120.4° | 119.9° |
| C2 | C9 | H3 | 119.8° | 120.0° |
| C3 | C4 | C5 | 118.5° | 120.4° |
| C4 | C3 | H2 | 119.5° | 120.0° |
| C3 | C4 | H8 | 120.8° | 119.8° |
| C9 | C8 | C5 | 119.3° | 121.1° |
| C9 | C8 | C7 | 131.5° | 132.0° |
| C8 | C9 | H3 | 119.8° | 120.0° |
| C5 | C8 | C7 | 109.2° | 107.0° |
| C8 | C5 | C4 | 121.8° | 119.1° |
| C8 | C5 | O1 | 112.6° | 111.1° |
| C8 | C7 | C6 | 102.0° | 101.9° |
| C8 | C7 | H7 | 111.3° | 111.0° |
| C8 | C7 | H10 | 111.3° | 111.0° |
| C4 | C5 | O1 | 125.6° | 129.7° |
| C5 | C4 | H8 | 120.7° | 119.8° |
| C7 | C6 | O1 | 107.8° | 102.8° |
| C7 | C6 | H1 | 109.9° | 110.7° |
| C6 | C7 | H7 | 111.3° | 110.9° |
| C7 | C6 | H9 | 109.9° | 110.8° |
| C6 | C7 | H10 | 111.3° | 110.9° |
| C6 | O1 | C5 | 107.3° | 109.3° |
| O1 | C6 | H1 | 109.9° | 110.7° |
| O1 | C6 | H9 | 109.9° | 110.8° |
| H1 | C6 | H9 | 109.5° | 110.9° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.4° | 109.5° |
| H5 | C | H6 | 109.4° | 109.5° |
| H7 | C7 | H10 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | O | 178.0° | 180.0° |
| C | C1 | C2 | C3 | 28.9° | 0.0° |
| C | C1 | C2 | C9 | 149.5° | 179.7° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H6 | 120.0° | 119.9° |
| C1 | C | H5 | H6 | 120.0° | 120.0° |
| C1 | C2 | C3 | C9 | 178.4° | 179.7° |
| C1 | C2 | C3 | C4 | 178.9° | 179.8° |
| C1 | C2 | C9 | C8 | 178.1° | 180.0° |
| C1 | C2 | C3 | H2 | 1.1° | 0.1° |
| C1 | C2 | C9 | H3 | 1.9° | 0.4° |
| C2 | C1 | C | H4 | 178.0° | 90.0° |
| C2 | C1 | C | H5 | 62.0° | 150.0° |
| C2 | C1 | C | H6 | 58.0° | 30.0° |
| O | C1 | C2 | C3 | 153.1° | 180.0° |
| O | C1 | C2 | C9 | 28.5° | 0.3° |
| O | C1 | C | H4 | 0.0° | 90.0° |
| O | C1 | C | H5 | 120.0° | 30.0° |
| O | C1 | C | H6 | 120.0° | 150.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C9 | C8 | 0.3° | 0.3° |
| C2 | C3 | C4 | C5 | 0.9° | 0.1° |
| C3 | C2 | C9 | H3 | 179.7° | 179.9° |
| C2 | C3 | C4 | H8 | 179.1° | 180.0° |
| C9 | C2 | C3 | C4 | 0.5° | 0.1° |
| C2 | C9 | C8 | H3 | 180.0° | 179.6° |
| C2 | C9 | C8 | C5 | 0.6° | 0.5° |
| C2 | C9 | C8 | C7 | 179.1° | 178.9° |
| C9 | C2 | C3 | H2 | 179.5° | 179.9° |
| C3 | C4 | C5 | C8 | 0.5° | 0.2° |
| C3 | C4 | C5 | H8 | 180.0° | 179.9° |
| C3 | C4 | C5 | O1 | 178.9° | 179.5° |
| C9 | C8 | C5 | C7 | 179.8° | 179.5° |
| C9 | C8 | C5 | C4 | 0.2° | 0.5° |
| C9 | C8 | C7 | C6 | 174.9° | 164.1° |
| C9 | C8 | C5 | O1 | 178.3° | 179.3° |
| C9 | C8 | C7 | H7 | 66.3° | 45.9° |
| C9 | C8 | C7 | H10 | 56.1° | 77.8° |
| C8 | C5 | C4 | O1 | 178.4° | 179.7° |
| C5 | C8 | C7 | C6 | 4.9° | 15.4° |
| C8 | C5 | O1 | C6 | 8.2° | 19.2° |
| C5 | C8 | C9 | H3 | 179.4° | 179.9° |
| C5 | C8 | C7 | H7 | 113.9° | 133.6° |
| C8 | C5 | C4 | H8 | 179.5° | 179.8° |
| C5 | C8 | C7 | H10 | 123.7° | 102.8° |
| C7 | C8 | C5 | C4 | 179.6° | 179.1° |
| C8 | C7 | C6 | H7 | 118.8° | 118.2° |
| C8 | C7 | C6 | H10 | 118.8° | 118.2° |
| C8 | C7 | C6 | O1 | 9.5° | 25.4° |
| C7 | C8 | C5 | O1 | 1.8° | 1.2° |
| C8 | C7 | C6 | H1 | 129.3° | 143.7° |
| C7 | C8 | C9 | H3 | 0.9° | 0.7° |
| C8 | C7 | H7 | H10 | 123.5° | 123.8° |
| C8 | C7 | C6 | H9 | 110.2° | 92.9° |
| C4 | C5 | O1 | C6 | 173.3° | 161.1° |
| C5 | C4 | C3 | H2 | 179.1° | 179.9° |
| C7 | C6 | O1 | H1 | 119.7° | 118.3° |
| C7 | C6 | O1 | H9 | 119.7° | 118.3° |
| C7 | C6 | O1 | C5 | 11.1° | 27.9° |
| C7 | C6 | H1 | H9 | 120.8° | 123.3° |
| C6 | C7 | H7 | H10 | 123.5° | 123.7° |
| O1 | C6 | H1 | H9 | 120.7° | 123.3° |
| O1 | C6 | C7 | H7 | 109.2° | 143.6° |
| O1 | C6 | C7 | H10 | 128.3° | 92.8° |
| C5 | O1 | C6 | H1 | 130.8° | 146.2° |
| O1 | C5 | C4 | H8 | 1.1° | 0.4° |
| C5 | O1 | C6 | H9 | 108.7° | 90.4° |
| H1 | C6 | C7 | H7 | 10.5° | 98.2° |
| H1 | C6 | C7 | H10 | 111.9° | 25.4° |
| H2 | C3 | C4 | H8 | 0.9° | 0.0° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
| H7 | C7 | C6 | H9 | 131.1° | 25.2° |
| H9 | C6 | C7 | H10 | 8.6° | 148.9° |
