OJ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C3 | sing | 1.43Å | 1.41Å | |
| O7 | C4 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O8 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.34Å | |
| C2 | O1 | sing | 1.43Å | 1.37Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| O7 | H9 | sing | 0.97Å | 0.95Å | |
| O8 | H10 | sing | 0.97Å | 0.95Å | |
| O9 | H11 | sing | 0.97Å | 0.95Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C3 | C4 | 110.9° | 109.5° |
| O9 | C3 | C2 | 109.5° | 109.5° |
| O9 | C3 | H4 | 110.9° | 109.5° |
| C3 | O9 | H11 | 109.5° | 114.0° |
| O7 | C4 | C3 | 111.9° | 109.5° |
| O7 | C4 | C5 | 108.8° | 109.4° |
| O7 | C4 | H5 | 110.0° | 109.5° |
| C4 | O7 | H9 | 109.5° | 114.0° |
| C4 | C3 | C2 | 107.2° | 109.5° |
| C3 | C4 | C5 | 109.1° | 109.5° |
| C4 | C3 | H4 | 109.1° | 109.5° |
| C3 | C4 | H5 | 108.4° | 109.5° |
| C3 | C2 | C1 | 104.3° | 109.5° |
| C3 | C2 | O1 | 124.1° | 109.5° |
| C3 | C2 | H3 | 105.6° | 109.4° |
| C2 | C3 | H4 | 109.2° | 109.5° |
| C4 | C5 | O8 | 112.1° | 109.5° |
| C4 | C5 | C6 | 110.4° | 109.5° |
| C5 | C4 | H5 | 108.6° | 109.5° |
| C4 | C5 | H6 | 107.6° | 109.5° |
| O8 | C5 | C6 | 109.9° | 109.4° |
| O8 | C5 | H6 | 108.8° | 109.5° |
| C5 | O8 | H10 | 109.5° | 114.0° |
| C5 | C6 | C1 | 122.2° | 109.4° |
| C6 | C5 | H6 | 107.8° | 109.5° |
| C5 | C6 | H7 | 106.2° | 109.5° |
| C5 | C6 | H8 | 106.2° | 109.5° |
| C2 | C1 | C6 | 121.7° | 109.5° |
| C1 | C2 | O1 | 108.3° | 109.5° |
| C2 | C1 | H1 | 106.3° | 109.5° |
| C2 | C1 | H2 | 106.4° | 109.5° |
| C1 | C2 | H3 | 105.7° | 109.4° |
| C6 | C1 | H1 | 106.4° | 109.5° |
| C6 | C1 | H2 | 106.3° | 109.5° |
| C1 | C6 | H7 | 106.2° | 109.5° |
| C1 | C6 | H8 | 106.2° | 109.5° |
| O1 | C2 | H3 | 107.4° | 109.5° |
| C2 | O1 | H12 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H7 | C6 | H8 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C3 | C4 | O7 | 49.8° | 60.0° |
| O9 | C3 | C4 | C2 | 119.5° | 120.0° |
| O9 | C3 | C4 | H4 | 122.4° | 120.0° |
| O9 | C3 | C2 | H4 | 121.6° | 120.0° |
| O9 | C3 | C4 | C5 | 170.4° | 180.0° |
| O9 | C3 | C2 | C1 | 175.5° | 180.0° |
| O9 | C3 | C2 | O1 | 60.1° | 60.0° |
| O9 | C3 | C2 | H3 | 64.3° | 60.1° |
| O9 | C3 | C4 | H5 | 71.6° | 60.0° |
| O7 | C4 | C3 | C5 | 120.5° | 120.0° |
| O7 | C4 | C3 | H5 | 121.4° | 120.0° |
| O7 | C4 | C3 | C2 | 169.3° | 180.0° |
| O7 | C4 | C5 | H5 | 119.7° | 120.0° |
| O7 | C4 | C5 | O8 | 68.5° | 60.0° |
| O7 | C4 | C5 | C6 | 168.6° | 180.0° |
| O7 | C4 | C3 | H4 | 72.6° | 60.0° |
| O7 | C4 | C5 | H6 | 51.1° | 60.0° |
| C4 | C3 | C2 | H4 | 118.1° | 120.0° |
| C3 | C4 | C5 | H5 | 117.9° | 120.0° |
| C3 | C4 | C5 | O8 | 169.1° | 180.0° |
| C3 | C4 | C5 | C6 | 46.2° | 60.0° |
| C4 | C3 | C2 | C1 | 64.1° | 60.0° |
| C4 | C3 | C2 | O1 | 60.2° | 60.0° |
| C4 | C3 | C2 | H3 | 175.3° | 180.0° |
| C3 | C4 | C5 | H6 | 71.3° | 60.0° |
| C3 | C4 | O7 | H9 | 180.0° | 180.0° |
| C4 | C3 | O9 | H11 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 70.1° | 60.0° |
| C3 | C2 | C1 | O1 | 134.0° | 120.0° |
| C3 | C2 | C1 | H3 | 111.1° | 119.9° |
| C3 | C2 | C1 | C6 | 43.3° | 60.0° |
| C3 | C2 | O1 | H3 | 123.6° | 120.0° |
| C3 | C2 | C1 | H1 | 78.4° | 60.0° |
| C3 | C2 | C1 | H2 | 165.0° | 179.9° |
| C2 | C3 | C4 | H5 | 47.9° | 60.0° |
| C2 | C3 | O9 | H11 | 61.9° | 60.1° |
| C3 | C2 | O1 | H12 | 180.0° | 180.0° |
| C4 | C5 | O8 | C6 | 123.2° | 120.0° |
| C4 | C5 | O8 | H6 | 118.9° | 120.1° |
| C4 | C5 | C6 | H6 | 117.4° | 120.1° |
| C4 | C5 | C6 | C1 | 24.5° | 60.0° |
| C5 | C4 | C3 | H4 | 48.0° | 60.0° |
| C4 | C5 | C6 | H7 | 97.3° | 180.0° |
| C4 | C5 | C6 | H8 | 146.2° | 60.0° |
| C5 | C4 | O7 | H9 | 59.3° | 60.0° |
| C4 | C5 | O8 | H10 | 180.0° | 180.0° |
| O8 | C5 | C6 | H6 | 118.4° | 119.9° |
| O8 | C5 | C6 | C1 | 148.7° | 180.0° |
| O8 | C5 | C4 | H5 | 51.2° | 59.9° |
| O8 | C5 | C6 | H7 | 26.9° | 60.0° |
| O8 | C5 | C6 | H8 | 89.6° | 60.0° |
| C5 | C6 | C1 | C2 | 24.5° | 60.0° |
| C5 | C6 | C1 | H7 | 121.8° | 120.0° |
| C5 | C6 | C1 | H8 | 121.8° | 120.0° |
| C5 | C6 | C1 | H1 | 97.1° | 60.0° |
| C5 | C6 | C1 | H2 | 146.3° | 180.0° |
| C6 | C5 | C4 | H5 | 71.8° | 60.0° |
| C5 | C6 | H7 | H8 | 114.2° | 120.0° |
| C6 | C5 | O8 | H10 | 56.7° | 60.0° |
| C2 | C1 | C6 | H1 | 121.7° | 120.0° |
| C2 | C1 | C6 | H2 | 121.7° | 120.0° |
| C1 | C2 | O1 | H3 | 113.8° | 120.0° |
| C2 | C1 | H1 | H2 | 114.5° | 120.0° |
| C1 | C2 | C3 | H4 | 54.0° | 60.0° |
| C2 | C1 | C6 | H7 | 97.3° | 180.0° |
| C2 | C1 | C6 | H8 | 146.3° | 60.0° |
| C1 | C2 | O1 | H12 | 57.4° | 60.0° |
| C6 | C1 | C2 | O1 | 90.6° | 60.0° |
| C6 | C1 | H1 | H2 | 114.5° | 120.1° |
| C6 | C1 | C2 | H3 | 154.5° | 180.0° |
| C1 | C6 | C5 | H6 | 92.9° | 60.1° |
| C1 | C6 | H7 | H8 | 114.3° | 120.0° |
| O1 | C2 | C1 | H1 | 147.7° | 180.0° |
| O1 | C2 | C1 | H2 | 31.1° | 60.0° |
| O1 | C2 | C3 | H4 | 178.3° | 180.0° |
| H1 | C1 | C2 | H3 | 32.8° | 60.0° |
| H1 | C1 | C6 | H7 | 141.1° | 60.0° |
| H1 | C1 | C6 | H8 | 24.6° | NaN° |
| H2 | C1 | C2 | H3 | 83.8° | 60.0° |
| H2 | C1 | C6 | H7 | 24.5° | 60.0° |
| H2 | C1 | C6 | H8 | 92.0° | 60.0° |
| H3 | C2 | C3 | H4 | 57.2° | 60.0° |
| H3 | C2 | O1 | H12 | 56.4° | 60.0° |
| H4 | C3 | C4 | H5 | 166.0° | 180.0° |
| H4 | C3 | O9 | H11 | 58.6° | 60.0° |
| H5 | C4 | C5 | H6 | 170.7° | 180.0° |
| H5 | C4 | O7 | H9 | 59.5° | 60.0° |
| H6 | C5 | C6 | H7 | 145.3° | 59.9° |
| H6 | C5 | C6 | H8 | 28.9° | 179.9° |
| H6 | C5 | O8 | H10 | 61.1° | 59.9° |
