YVR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.55Å | 1.52Å | |
| C4 | C5 | sing | 1.52Å | 1.50Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C5 | O1 | sing | 1.34Å | 1.45Å | |
| C5 | O6 | doub | 1.21Å | 1.22Å | |
| O1 | C2 | sing | 1.45Å | 1.43Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C2 | C3 | 111.7° | 109.7° |
| C7 | C2 | O1 | 110.8° | 110.1° |
| C7 | C2 | H5 | 108.5° | 110.0° |
| C2 | C7 | H6 | 109.5° | 109.5° |
| C2 | C7 | H7 | 109.5° | 109.5° |
| C2 | C7 | H8 | 109.4° | 109.5° |
| C3 | C4 | C5 | 101.8° | 103.0° |
| C4 | C3 | C2 | 107.5° | 102.2° |
| C3 | C4 | H1 | 111.4° | 110.7° |
| C3 | C4 | H2 | 111.4° | 110.7° |
| C4 | C3 | H3 | 110.0° | 110.9° |
| C4 | C3 | H4 | 110.0° | 110.9° |
| C4 | C5 | O1 | 113.0° | 108.6° |
| C4 | C5 | O6 | 120.9° | 125.7° |
| C5 | C4 | H1 | 111.3° | 110.5° |
| C5 | C4 | H2 | 111.3° | 110.9° |
| C3 | C2 | O1 | 107.7° | 106.6° |
| C2 | C3 | H3 | 110.0° | 111.0° |
| C2 | C3 | H4 | 110.0° | 110.7° |
| C3 | C2 | H5 | 108.4° | 110.3° |
| O1 | C5 | O6 | 119.5° | 125.7° |
| C5 | O1 | C2 | 106.7° | 111.5° |
| O1 | C2 | H5 | 109.7° | 110.0° |
| H1 | C4 | H2 | 109.5° | 110.8° |
| H3 | C3 | H4 | 109.4° | 110.9° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H6 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C2 | C3 | C4 | 140.8° | 134.7° |
| C7 | C2 | C3 | O1 | 121.9° | 119.2° |
| C7 | C2 | C3 | H5 | 119.5° | 121.4° |
| C7 | C2 | O1 | C5 | 139.1° | 117.0° |
| C7 | C2 | O1 | H5 | 119.8° | 121.4° |
| C7 | C2 | C3 | H3 | 21.1° | 16.4° |
| C7 | C2 | C3 | H4 | 99.5° | 107.2° |
| C2 | C7 | H6 | H7 | 120.0° | 120.0° |
| C2 | C7 | H6 | H8 | 120.0° | 120.0° |
| C2 | C7 | H7 | H8 | 120.0° | 120.0° |
| C3 | C4 | C5 | H1 | 118.8° | 118.3° |
| C3 | C4 | C5 | H2 | 118.8° | 118.4° |
| C4 | C3 | C2 | H3 | 119.7° | 118.3° |
| C4 | C3 | C2 | H4 | 119.7° | 118.1° |
| C3 | C4 | C5 | O1 | 2.9° | 28.5° |
| C3 | C4 | C5 | O6 | 154.3° | 151.2° |
| C4 | C3 | C2 | O1 | 18.9° | 15.5° |
| C3 | C4 | H1 | H2 | 123.6° | 123.2° |
| C4 | C3 | H3 | H4 | 121.0° | 123.6° |
| C4 | C3 | C2 | H5 | 99.7° | 104.0° |
| C5 | C4 | C3 | C2 | 12.8° | 25.4° |
| C4 | C5 | O1 | O6 | 151.9° | 179.7° |
| C4 | C5 | O1 | C2 | 8.8° | 19.4° |
| C5 | C4 | H1 | H2 | 123.5° | 123.3° |
| C5 | C4 | C3 | H3 | 106.9° | 93.0° |
| C5 | C4 | C3 | H4 | 132.5° | 143.4° |
| C3 | C2 | O1 | C5 | 16.7° | 1.9° |
| C3 | C2 | O1 | H5 | 117.8° | 119.7° |
| C2 | C3 | C4 | H1 | 106.0° | 143.6° |
| C2 | C3 | C4 | H2 | 131.5° | 93.2° |
| C2 | C3 | H3 | H4 | 120.9° | 123.5° |
| C3 | C2 | C7 | H6 | 180.0° | 58.5° |
| C3 | C2 | C7 | H7 | 60.0° | 61.5° |
| C3 | C2 | C7 | H8 | 60.0° | 178.5° |
| O1 | C5 | C4 | H1 | 115.9° | 146.8° |
| O1 | C5 | C4 | H2 | 121.7° | 89.9° |
| C5 | O1 | C2 | H5 | 101.1° | 121.6° |
| O6 | C5 | O1 | C2 | 143.1° | 160.3° |
| O6 | C5 | C4 | H1 | 35.5° | 32.9° |
| O6 | C5 | C4 | H2 | 86.9° | 90.4° |
| O1 | C2 | C3 | H3 | 100.8° | 102.8° |
| O1 | C2 | C3 | H4 | 138.6° | 133.6° |
| O1 | C2 | C7 | H6 | 60.0° | 58.5° |
| O1 | C2 | C7 | H7 | 60.0° | 178.5° |
| O1 | C2 | C7 | H8 | 180.0° | 61.4° |
| H1 | C4 | C3 | H3 | 134.3° | 25.2° |
| H1 | C4 | C3 | H4 | 13.7° | 98.4° |
| H2 | C4 | C3 | H3 | 11.8° | 148.5° |
| H2 | C4 | C3 | H4 | 108.8° | 24.8° |
| H3 | C3 | C2 | H5 | 140.6° | 137.8° |
| H4 | C3 | C2 | H5 | 20.0° | 14.2° |
| H5 | C2 | C7 | H6 | 60.6° | 180.0° |
| H5 | C2 | C7 | H7 | 179.4° | 60.0° |
| H5 | C2 | C7 | H8 | 59.4° | 60.0° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
