NQM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C6 | doub | 1.21Å | 1.25Å | |
| C6 | C5 | sing | 1.48Å | 1.45Å | |
| C6 | O9 | sing | 1.35Å | 1.26Å | |
| O4 | C3 | doub | 1.21Å | 1.24Å | |
| C7 | C5 | doub | 1.34Å | 1.37Å | |
| C7 | C3 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | O5 | sing | 1.35Å | 1.24Å | |
| O3 | C2 | doub | 1.21Å | 1.26Å | |
| C4 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.49Å | 1.47Å | |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | O2 | sing | 1.35Å | 1.26Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| O9 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C6 | C5 | 122.8° | 120.0° |
| O10 | C6 | O9 | 122.2° | 120.0° |
| C5 | C6 | O9 | 114.8° | 120.0° |
| C6 | C5 | C7 | 118.6° | 120.0° |
| C6 | C5 | C4 | 120.9° | 120.0° |
| C6 | O9 | H6 | 109.5° | 117.0° |
| O4 | C3 | C7 | 120.2° | 120.0° |
| O4 | C3 | O5 | 118.5° | 120.0° |
| C5 | C7 | C3 | 121.8° | 120.0° |
| C7 | C5 | C4 | 120.2° | 120.0° |
| C5 | C7 | H1 | 119.1° | 120.0° |
| C7 | C3 | O5 | 121.3° | 120.0° |
| C3 | C7 | H1 | 119.1° | 120.0° |
| C5 | C4 | C2 | 120.0° | 109.5° |
| C5 | C4 | H2 | 106.8° | 109.5° |
| C5 | C4 | H3 | 106.8° | 109.4° |
| C3 | O5 | H5 | 109.5° | 117.0° |
| O3 | C2 | C4 | 126.4° | 120.0° |
| O3 | C2 | C1 | 120.2° | 120.0° |
| C4 | C2 | C1 | 113.4° | 120.0° |
| C2 | C4 | H2 | 106.8° | 109.5° |
| C2 | C4 | H3 | 106.8° | 109.5° |
| C2 | C1 | O1 | 119.1° | 120.0° |
| C2 | C1 | O2 | 118.2° | 120.0° |
| O1 | C1 | O2 | 122.7° | 120.0° |
| C1 | O2 | H4 | 109.5° | 117.0° |
| H2 | C4 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C6 | C5 | O9 | 174.6° | 179.9° |
| O10 | C6 | C5 | C7 | 92.0° | 0.1° |
| O10 | C6 | C5 | C4 | 94.0° | 180.0° |
| O10 | C6 | O9 | H6 | 0.0° | 0.0° |
| C6 | C5 | C7 | C4 | 174.0° | 179.9° |
| C6 | C5 | C7 | C3 | 177.3° | 172.4° |
| C6 | C5 | C4 | C2 | 6.1° | 88.0° |
| C6 | C5 | C7 | H1 | 2.7° | 7.9° |
| C6 | C5 | C4 | H2 | 115.3° | 32.0° |
| C6 | C5 | C4 | H3 | 127.6° | 152.0° |
| C5 | C6 | O9 | H6 | 174.6° | 180.0° |
| O9 | C6 | C5 | C7 | 82.6° | 180.0° |
| O9 | C6 | C5 | C4 | 91.4° | 0.1° |
| O4 | C3 | C7 | C5 | 105.4° | 6.5° |
| O4 | C3 | C7 | O5 | 178.7° | 180.0° |
| O4 | C3 | C7 | H1 | 74.7° | 173.7° |
| O4 | C3 | O5 | H5 | 0.0° | 0.0° |
| C5 | C7 | C3 | H1 | 180.0° | 179.7° |
| C5 | C7 | C3 | O5 | 73.3° | 173.5° |
| C7 | C5 | C4 | C2 | 167.8° | 91.9° |
| C7 | C5 | C4 | H2 | 70.8° | 148.1° |
| C7 | C5 | C4 | H3 | 46.3° | 28.1° |
| C3 | C7 | C5 | C4 | 3.3° | 7.5° |
| C7 | C3 | O5 | H5 | 178.7° | 180.0° |
| C5 | C4 | C2 | O3 | 14.3° | 0.0° |
| C5 | C4 | C2 | H2 | 121.5° | 120.0° |
| C5 | C4 | C2 | H3 | 121.5° | 119.9° |
| C5 | C4 | C2 | C1 | 165.9° | 180.0° |
| C4 | C5 | C7 | H1 | 176.7° | 172.2° |
| C5 | C4 | H2 | H3 | 115.2° | 120.0° |
| O5 | C3 | C7 | H1 | 106.7° | 6.2° |
| O3 | C2 | C4 | C1 | 179.8° | 179.9° |
| O3 | C2 | C1 | O1 | 40.3° | 180.0° |
| O3 | C2 | C1 | O2 | 137.4° | 0.1° |
| O3 | C2 | C4 | H2 | 107.2° | 119.9° |
| O3 | C2 | C4 | H3 | 135.8° | 120.0° |
| C4 | C2 | C1 | O1 | 139.5° | 0.0° |
| C4 | C2 | C1 | O2 | 42.7° | 180.0° |
| C2 | C4 | H2 | H3 | 115.2° | 120.1° |
| C2 | C1 | O1 | O2 | 177.7° | 179.9° |
| C1 | C2 | C4 | H2 | 72.6° | 60.0° |
| C1 | C2 | C4 | H3 | 44.4° | 60.1° |
| C2 | C1 | O2 | H4 | 177.7° | 180.0° |
| O1 | C1 | O2 | H4 | 0.0° | 0.0° |
