KJ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C4 | sing | 1.35Å | 1.37Å | |
| C6 | C4 | doub | 1.38Å | 1.37Å | |
| C6 | C7 | sing | 1.40Å | 1.42Å | |
| O8 | C7 | doub | 1.22Å | 1.22Å | |
| C4 | C3 | sing | 1.41Å | 1.39Å | |
| C7 | O9 | sing | 1.34Å | 1.40Å | |
| C3 | C2 | doub | 1.35Å | 1.34Å | |
| O9 | C2 | sing | 1.34Å | 1.37Å | |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C4 | C6 | 120.2° | 120.6° |
| O5 | C4 | C3 | 120.0° | 120.7° |
| C4 | O5 | H14 | 109.5° | 114.0° |
| C4 | C6 | C7 | 121.1° | 118.8° |
| C6 | C4 | C3 | 119.8° | 118.7° |
| C4 | C6 | H15 | 119.5° | 120.6° |
| C6 | C7 | O8 | 127.9° | 119.9° |
| C6 | C7 | O9 | 116.0° | 120.2° |
| C7 | C6 | H15 | 119.4° | 120.6° |
| O8 | C7 | O9 | 116.1° | 119.9° |
| C4 | C3 | C2 | 120.1° | 119.8° |
| C4 | C3 | H13 | 119.9° | 120.0° |
| C7 | O9 | C2 | 121.8° | 121.3° |
| C3 | C2 | O9 | 121.2° | 121.2° |
| C3 | C2 | C1 | 126.9° | 119.4° |
| C2 | C3 | H13 | 119.9° | 120.2° |
| O9 | C2 | C1 | 111.9° | 119.4° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H10 | 109.5° | 109.5° |
| H12 | C1 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C4 | C6 | C3 | 180.0° | 179.8° |
| O5 | C4 | C6 | C7 | 180.0° | 179.8° |
| O5 | C4 | C3 | C2 | 180.0° | 179.7° |
| O5 | C4 | C6 | H15 | 0.0° | 0.3° |
| O5 | C4 | C3 | H13 | 0.0° | 0.2° |
| C4 | C6 | C7 | H15 | 180.0° | 179.9° |
| C4 | C6 | C7 | O8 | 180.0° | 180.0° |
| C4 | C6 | C7 | O9 | 0.0° | 0.1° |
| C6 | C4 | C3 | C2 | 0.0° | 0.1° |
| C6 | C4 | C3 | H13 | 180.0° | 180.0° |
| C6 | C4 | O5 | H14 | 180.0° | 0.2° |
| C6 | C7 | O8 | O9 | 179.9° | 179.9° |
| C7 | C6 | C4 | C3 | 0.0° | 0.0° |
| C6 | C7 | O9 | C2 | 0.0° | 0.1° |
| O8 | C7 | O9 | C2 | 180.0° | 180.0° |
| O8 | C7 | C6 | H15 | 0.0° | 0.1° |
| C4 | C3 | C2 | H13 | 180.0° | 179.9° |
| C4 | C3 | C2 | O9 | 0.0° | 0.1° |
| C4 | C3 | C2 | C1 | 180.0° | 180.0° |
| C3 | C4 | C6 | H15 | 180.0° | 179.9° |
| C3 | C4 | O5 | H14 | 0.0° | 180.0° |
| C7 | O9 | C2 | C3 | 0.0° | 0.0° |
| C7 | O9 | C2 | C1 | 180.0° | 180.0° |
| O9 | C7 | C6 | H15 | 180.0° | 180.0° |
| C3 | C2 | O9 | C1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H11 | 180.0° | 90.0° |
| C3 | C2 | C1 | H12 | 60.0° | 150.1° |
| C3 | C2 | C1 | H10 | 60.0° | 30.0° |
| O9 | C2 | C1 | H11 | 0.0° | 90.0° |
| O9 | C2 | C1 | H12 | 120.0° | 30.0° |
| O9 | C2 | C1 | H10 | 120.0° | 150.0° |
| O9 | C2 | C3 | H13 | 180.0° | 180.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H10 | 120.0° | 119.9° |
| C2 | C1 | H12 | H10 | 120.0° | 120.0° |
| C1 | C2 | C3 | H13 | 0.0° | 0.1° |
| H11 | C1 | H12 | H10 | 120.0° | 120.0° |
