X8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.40Å | |
| C6 | C5 | sing | 1.54Å | 1.52Å | |
| C6 | C1 | sing | 1.52Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.42Å | |
| O1 | C1 | doub | 1.21Å | 1.20Å | |
| C5 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | O2 | sing | 1.35Å | 1.34Å | |
| O2 | C2 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 115.0° | 110.4° |
| O6 | C6 | C1 | 107.4° | 110.4° |
| O6 | C6 | H9 | 111.2° | 110.5° |
| C6 | O6 | H10 | 109.5° | 114.0° |
| C5 | C6 | C1 | 103.8° | 104.6° |
| C6 | C5 | O5 | 109.8° | 110.8° |
| C6 | C5 | C2 | 100.3° | 103.1° |
| C6 | C5 | H7 | 109.6° | 110.7° |
| C5 | C6 | H9 | 109.5° | 110.4° |
| C6 | C1 | O1 | 128.5° | 126.0° |
| C6 | C1 | O2 | 109.1° | 108.1° |
| C1 | C6 | H9 | 109.5° | 110.4° |
| O5 | C5 | C2 | 116.0° | 110.7° |
| O5 | C5 | H7 | 111.1° | 110.6° |
| C5 | O5 | H8 | 109.5° | 114.0° |
| O1 | C1 | O2 | 122.3° | 125.9° |
| C5 | C2 | O2 | 104.8° | 105.0° |
| C5 | C2 | C3 | 118.0° | 110.3° |
| C5 | C2 | H1 | 108.3° | 110.3° |
| C2 | C5 | H7 | 109.5° | 110.7° |
| C1 | O2 | C2 | 110.1° | 108.4° |
| O2 | C2 | C3 | 107.7° | 110.3° |
| O2 | C2 | H1 | 109.1° | 110.4° |
| C2 | C3 | C4 | 118.4° | 109.5° |
| C2 | C3 | O3 | 116.0° | 109.5° |
| C3 | C2 | H1 | 108.6° | 110.3° |
| C2 | C3 | H2 | 100.3° | 109.5° |
| C4 | C3 | O3 | 115.7° | 109.5° |
| C3 | C4 | O4 | 110.0° | 109.5° |
| C4 | C3 | H2 | 100.3° | 109.5° |
| C3 | C4 | H4 | 109.3° | 109.5° |
| C3 | C4 | H5 | 109.3° | 109.4° |
| O3 | C3 | H2 | 101.1° | 109.5° |
| C3 | O3 | H3 | 109.5° | 114.0° |
| O4 | C4 | H4 | 109.4° | 109.4° |
| O4 | C4 | H5 | 109.4° | 109.5° |
| C4 | O4 | H6 | 109.5° | 114.1° |
| H4 | C4 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | C1 | 117.1° | 118.8° |
| O6 | C6 | C5 | H9 | 126.0° | 122.5° |
| O6 | C6 | C1 | H9 | 120.9° | 122.4° |
| O6 | C6 | C5 | O5 | 25.4° | 0.1° |
| O6 | C6 | C1 | O1 | 38.2° | 81.8° |
| O6 | C6 | C5 | C2 | 148.0° | 118.4° |
| O6 | C6 | C1 | O2 | 141.2° | 98.4° |
| O6 | C6 | C5 | H7 | 96.9° | 123.2° |
| C5 | C6 | C1 | H9 | 116.9° | 118.8° |
| C6 | C5 | O5 | C2 | 112.8° | 113.7° |
| C6 | C5 | O5 | H7 | 121.4° | 123.2° |
| C5 | C6 | C1 | O1 | 160.4° | 159.4° |
| C6 | C5 | C2 | H7 | 115.2° | 118.4° |
| C5 | C6 | C1 | O2 | 19.0° | 20.4° |
| C6 | C5 | C2 | O2 | 33.0° | 17.8° |
| C6 | C5 | C2 | C3 | 152.9° | 136.7° |
| C6 | C5 | C2 | H1 | 83.3° | 101.2° |
| C6 | C5 | O5 | H8 | 180.0° | 66.3° |
| C5 | C6 | O6 | H10 | 128.7° | 180.0° |
| C1 | C6 | C5 | O5 | 91.7° | 118.9° |
| C6 | C1 | O1 | O2 | 179.3° | 179.8° |
| C1 | C6 | C5 | C2 | 31.0° | 0.4° |
| C6 | C1 | O2 | C2 | 2.8° | 33.4° |
| C1 | C6 | C5 | H7 | 146.0° | 118.0° |
| C1 | C6 | O6 | H10 | 13.7° | 64.8° |
| O5 | C5 | C2 | H7 | 126.7° | 123.0° |
| O5 | C5 | C2 | O2 | 85.1° | 100.7° |
| O5 | C5 | C2 | C3 | 34.7° | 18.1° |
| O5 | C5 | C2 | H1 | 158.6° | 140.2° |
| O5 | C5 | C6 | H9 | 151.4° | 122.4° |
| O1 | C1 | O2 | C2 | 177.8° | 146.4° |
| O1 | C1 | C6 | H9 | 82.7° | 40.6° |
| C5 | C2 | O2 | C1 | 23.4° | 32.5° |
| C5 | C2 | O2 | C3 | 126.5° | 118.9° |
| C5 | C2 | O2 | H1 | 115.8° | 118.9° |
| C5 | C2 | C3 | H1 | 123.7° | 122.1° |
| C5 | C2 | C3 | C4 | 67.8° | 173.6° |
| C5 | C2 | C3 | O3 | 147.8° | 53.6° |
| C5 | C2 | C3 | H2 | 40.0° | 66.4° |
| C2 | C5 | C6 | H9 | 86.0° | 119.1° |
| C2 | C5 | O5 | H8 | 67.2° | 180.0° |
| C1 | O2 | C2 | C3 | 149.9° | 151.4° |
| C1 | O2 | C2 | H1 | 92.4° | 86.5° |
| O2 | C1 | C6 | H9 | 97.9° | 139.2° |
| O2 | C2 | C3 | H1 | 118.0° | 122.3° |
| O2 | C2 | C3 | C4 | 173.9° | 58.0° |
| O2 | C2 | C3 | O3 | 29.5° | 62.0° |
| O2 | C2 | C3 | H2 | 78.3° | 178.0° |
| O2 | C2 | C5 | H7 | 148.2° | 136.2° |
| C2 | C3 | C4 | O3 | 144.5° | 120.0° |
| C2 | C3 | C4 | H2 | 107.8° | 120.0° |
| C2 | C3 | O3 | H2 | 107.4° | 120.0° |
| C2 | C3 | C4 | O4 | 122.9° | 175.0° |
| C2 | C3 | C4 | H4 | 2.8° | 65.0° |
| C2 | C3 | C4 | H5 | 117.0° | 55.0° |
| C3 | C2 | C5 | H7 | 92.0° | 104.9° |
| C2 | C3 | O3 | H3 | 180.0° | 60.0° |
| C4 | C3 | O3 | H2 | 107.3° | 120.0° |
| C3 | C4 | O4 | H4 | 120.1° | 120.0° |
| C3 | C4 | O4 | H5 | 120.1° | 120.0° |
| C4 | C3 | C2 | H1 | 55.9° | 64.3° |
| C3 | C4 | H4 | H5 | 119.7° | 120.0° |
| C4 | C3 | O3 | H3 | 34.7° | 60.0° |
| C3 | C4 | O4 | H6 | 180.0° | 180.0° |
| O3 | C3 | C4 | O4 | 21.6° | 65.0° |
| O3 | C3 | C2 | H1 | 88.5° | 175.7° |
| O3 | C3 | C4 | H4 | 141.7° | 55.0° |
| O3 | C3 | C4 | H5 | 98.5° | 175.0° |
| O4 | C4 | C3 | H2 | 129.3° | 55.0° |
| O4 | C4 | H4 | H5 | 119.8° | 120.0° |
| H1 | C2 | C3 | H2 | 163.7° | 55.7° |
| H1 | C2 | C5 | H7 | 31.9° | 17.2° |
| H2 | C3 | C4 | H4 | 110.6° | 175.0° |
| H2 | C3 | C4 | H5 | 9.2° | 65.0° |
| H2 | C3 | O3 | H3 | 72.6° | 180.0° |
| H4 | C4 | O4 | H6 | 59.9° | 60.0° |
| H5 | C4 | O4 | H6 | 59.9° | 60.0° |
| H7 | C5 | C6 | H9 | 29.1° | 0.7° |
| H7 | C5 | O5 | H8 | 58.7° | 56.9° |
| H9 | C6 | O6 | H10 | 106.1° | 57.6° |
