0WU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.33Å | 1.36Å | |
| C3 | C4 | sing | 1.50Å | 1.50Å | |
| C2 | C1 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C1 | C6 | sing | 1.52Å | 1.50Å | |
| C9 | C8 | doub | 1.31Å | 1.36Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C5 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C10 | sing | 1.51Å | 1.49Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | 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 | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C2 | C3 | 121.8° | 119.7° |
| C7 | C2 | C1 | 119.0° | 119.7° |
| C2 | C7 | H6 | 109.5° | 109.5° |
| C2 | C7 | H7 | 109.5° | 109.5° |
| C2 | C7 | H8 | 109.5° | 109.5° |
| C2 | C3 | C4 | 120.2° | 123.2° |
| C3 | C2 | C1 | 119.2° | 120.6° |
| C2 | C3 | H14 | 119.9° | 118.4° |
| C3 | C4 | C5 | 113.3° | 111.2° |
| C3 | C4 | H1 | 108.5° | 109.1° |
| C3 | C4 | H2 | 108.5° | 109.1° |
| C4 | C3 | H14 | 119.9° | 118.4° |
| C2 | C1 | O1 | 121.6° | 121.2° |
| C2 | C1 | C6 | 121.4° | 117.7° |
| C4 | C5 | C6 | 111.8° | 109.0° |
| C4 | C5 | C8 | 112.4° | 109.5° |
| C5 | C4 | H1 | 108.5° | 109.2° |
| C5 | C4 | H2 | 108.5° | 109.2° |
| C4 | C5 | H3 | 108.9° | 109.6° |
| O1 | C1 | C6 | 116.9° | 121.1° |
| C1 | C6 | C5 | 113.4° | 107.3° |
| C1 | C6 | H4 | 108.5° | 109.9° |
| C1 | C6 | H5 | 108.5° | 109.9° |
| C9 | C8 | C5 | 119.9° | 119.9° |
| C9 | C8 | C10 | 118.9° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C8 | C9 | H10 | 120.0° | 120.0° |
| C6 | C5 | C8 | 105.6° | 109.5° |
| C6 | C5 | H3 | 109.1° | 109.6° |
| C5 | C6 | H4 | 108.5° | 109.9° |
| C5 | C6 | H5 | 108.5° | 109.9° |
| C5 | C8 | C10 | 116.4° | 120.0° |
| C8 | C5 | H3 | 108.9° | 109.6° |
| C8 | C10 | H11 | 109.5° | 109.4° |
| C8 | C10 | H12 | 109.5° | 109.4° |
| C8 | C10 | H13 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.1° |
| H4 | C6 | H5 | 109.5° | 109.9° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H6 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 120.0° | 120.0° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H13 | 109.4° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C2 | C3 | C1 | 179.9° | 180.0° |
| C7 | C2 | C3 | C4 | 175.6° | 179.5° |
| C7 | C2 | C1 | O1 | 2.0° | 11.4° |
| C7 | C2 | C1 | C6 | 176.9° | 168.6° |
| C2 | C7 | H6 | H7 | 120.0° | 120.0° |
| C2 | C7 | H6 | H8 | 120.0° | 120.0° |
| C2 | C7 | H7 | H8 | 120.0° | 120.0° |
| C7 | C2 | C3 | H14 | 4.4° | 0.5° |
| C2 | C3 | C4 | H14 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 32.6° | 22.0° |
| C3 | C2 | C1 | O1 | 178.2° | 168.6° |
| C3 | C2 | C1 | C6 | 3.0° | 11.4° |
| C2 | C3 | C4 | H1 | 88.0° | 142.4° |
| C2 | C3 | C4 | H2 | 153.1° | 98.5° |
| C3 | C2 | C7 | H6 | 180.0° | 90.0° |
| C3 | C2 | C7 | H7 | 60.0° | 150.0° |
| C3 | C2 | C7 | H8 | 60.0° | 30.0° |
| C4 | C3 | C2 | C1 | 4.6° | 0.5° |
| C3 | C4 | C5 | H1 | 120.6° | 120.4° |
| C3 | C4 | C5 | H2 | 120.6° | 120.4° |
| C3 | C4 | C5 | C6 | 52.3° | 52.8° |
| C3 | C4 | C5 | C8 | 170.9° | 172.6° |
| C3 | C4 | H1 | H2 | 118.2° | 119.1° |
| C3 | C4 | C5 | H3 | 68.3° | 67.1° |
| C2 | C1 | O1 | C6 | 178.9° | 180.0° |
| C2 | C1 | C6 | C5 | 17.9° | 41.9° |
| C2 | C1 | C6 | H4 | 138.5° | 77.5° |
| C2 | C1 | C6 | H5 | 102.7° | 161.5° |
| C1 | C2 | C7 | H6 | 0.2° | 90.0° |
| C1 | C2 | C7 | H7 | 119.8° | 30.0° |
| C1 | C2 | C7 | H8 | 120.2° | 150.0° |
| C1 | C2 | C3 | H14 | 175.4° | 179.6° |
| C4 | C5 | C6 | C1 | 44.7° | 62.0° |
| C4 | C5 | C8 | C9 | 12.7° | 120.1° |
| C4 | C5 | C6 | C8 | 122.5° | 119.8° |
| C4 | C5 | C6 | H3 | 120.5° | 119.9° |
| C4 | C5 | C8 | H3 | 120.8° | 120.2° |
| C4 | C5 | C8 | C10 | 167.9° | 60.0° |
| C5 | C4 | H1 | H2 | 118.3° | 119.2° |
| C4 | C5 | C6 | H4 | 165.2° | 57.5° |
| C4 | C5 | C6 | H5 | 75.9° | 178.5° |
| C5 | C4 | C3 | H14 | 147.4° | 158.0° |
| O1 | C1 | C6 | C5 | 161.0° | 138.1° |
| O1 | C1 | C6 | H4 | 40.4° | 102.4° |
| O1 | C1 | C6 | H5 | 78.4° | 18.6° |
| C1 | C6 | C5 | H4 | 120.6° | 119.4° |
| C1 | C6 | C5 | H5 | 120.6° | 119.5° |
| C1 | C6 | C5 | C8 | 167.2° | 178.2° |
| C1 | C6 | C5 | H3 | 75.9° | 57.9° |
| C1 | C6 | H4 | H5 | 118.2° | 121.1° |
| C9 | C8 | C5 | C6 | 134.9° | 120.4° |
| C9 | C8 | C5 | C10 | 155.2° | 179.9° |
| C9 | C8 | C5 | H3 | 108.1° | 0.2° |
| C8 | C9 | H9 | H10 | 180.0° | 179.9° |
| C9 | C8 | C10 | H11 | 180.0° | 180.0° |
| C9 | C8 | C10 | H12 | 60.0° | 60.1° |
| C9 | C8 | C10 | H13 | 60.0° | 59.9° |
| C6 | C5 | C8 | H3 | 117.1° | 120.2° |
| C6 | C5 | C8 | C10 | 70.0° | 59.5° |
| C6 | C5 | C4 | H1 | 68.3° | 173.2° |
| C6 | C5 | C4 | H2 | 172.9° | 67.7° |
| C5 | C6 | H4 | H5 | 118.2° | 121.1° |
| C8 | C5 | C4 | H1 | 50.3° | 67.0° |
| C8 | C5 | C4 | H2 | 68.5° | 52.2° |
| C8 | C5 | C6 | H4 | 72.2° | 62.4° |
| C8 | C5 | C6 | H5 | 46.6° | 58.7° |
| C5 | C8 | C9 | H9 | 154.6° | 180.0° |
| C5 | C8 | C9 | H10 | 25.5° | 0.1° |
| C5 | C8 | C10 | H11 | 24.6° | 0.0° |
| C5 | C8 | C10 | H12 | 144.6° | 120.0° |
| C5 | C8 | C10 | H13 | 95.4° | 120.0° |
| C10 | C8 | C5 | H3 | 47.1° | 179.7° |
| C10 | C8 | C9 | H9 | 0.0° | 0.1° |
| C10 | C8 | C9 | H10 | 180.0° | 180.0° |
| C8 | C10 | H11 | H12 | 120.0° | 120.0° |
| C8 | C10 | H11 | H13 | 120.0° | 120.0° |
| C8 | C10 | H12 | H13 | 120.0° | 120.0° |
| H1 | C4 | C5 | H3 | 171.1° | 53.3° |
| H1 | C4 | C3 | H14 | 92.0° | 37.6° |
| H2 | C4 | C5 | H3 | 52.3° | 172.5° |
| H2 | C4 | C3 | H14 | 26.8° | 81.5° |
| H3 | C5 | C6 | H4 | 44.7° | 177.3° |
| H3 | C5 | C6 | H5 | 163.5° | 61.6° |
| H6 | C7 | H7 | H8 | 120.0° | 119.9° |
| H11 | C10 | H12 | H13 | 119.9° | 120.1° |
