MUC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| C1 | O2 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C4 | C5 | doub | 1.33Å | 1.34Å | |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | sing | 1.47Å | 1.33Å | |
| C6 | O6 | doub | 1.21Å | 1.23Å | |
| C6 | O3 | sing | 1.35Å | 1.37Å | |
| O3 | C3 | sing | 1.46Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.57Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 125.1° | 120.0° |
| O1 | C1 | C2 | 116.5° | 120.0° |
| C1 | O1 | HO1 | 109.5° | 117.0° |
| O2 | C1 | C2 | 118.4° | 120.0° |
| C1 | C2 | C3 | 116.4° | 109.5° |
| C1 | C2 | H2 | 107.2° | 109.5° |
| C1 | C2 | H2A | 105.7° | 109.5° |
| C5 | C4 | C3 | 104.6° | 106.9° |
| C4 | C5 | C6 | 108.7° | 109.5° |
| C5 | C4 | H4 | 127.7° | 126.6° |
| C4 | C5 | H5 | 125.6° | 125.2° |
| C4 | C3 | O3 | 102.7° | 106.0° |
| C4 | C3 | C2 | 116.2° | 110.2° |
| C3 | C4 | H4 | 127.7° | 126.5° |
| C4 | C3 | H3 | 110.6° | 110.2° |
| C5 | C6 | O6 | 124.0° | 125.0° |
| C5 | C6 | O3 | 112.6° | 110.0° |
| C6 | C5 | H5 | 125.7° | 125.2° |
| O6 | C6 | O3 | 123.4° | 125.0° |
| C6 | O3 | C3 | 101.7° | 107.5° |
| O3 | C3 | C2 | 112.0° | 110.1° |
| O3 | C3 | H3 | 114.9° | 110.1° |
| C2 | C3 | H3 | 100.9° | 110.1° |
| C3 | C2 | H2 | 107.2° | 109.4° |
| C3 | C2 | H2A | 105.6° | 109.4° |
| H2 | C2 | H2A | 115.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 178.6° | 179.7° |
| O1 | C1 | C2 | C3 | 143.0° | 180.0° |
| O1 | C1 | C2 | H2 | 23.0° | 60.0° |
| O1 | C1 | C2 | H2A | 100.2° | 60.0° |
| O2 | C1 | C2 | C3 | 38.3° | 0.3° |
| O2 | C1 | C2 | H2 | 158.3° | 119.7° |
| O2 | C1 | C2 | H2A | 78.5° | 120.2° |
| O2 | C1 | O1 | HO1 | 0.0° | 0.0° |
| C1 | C2 | C3 | C4 | 62.9° | 175.0° |
| C1 | C2 | C3 | O3 | 54.7° | 68.4° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 116.9° | 120.0° |
| C1 | C2 | C3 | H3 | 177.4° | 53.2° |
| C1 | C2 | H2 | H2A | 117.2° | 120.1° |
| C2 | C1 | O1 | HO1 | 178.6° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O6 | 165.3° | 179.9° |
| C4 | C5 | C6 | O3 | 15.1° | 0.0° |
| C5 | C4 | C3 | O3 | 22.4° | 0.0° |
| C5 | C4 | C3 | C2 | 145.1° | 119.1° |
| C5 | C4 | C3 | H3 | 100.6° | 119.2° |
| C3 | C4 | C5 | C6 | 5.4° | 0.0° |
| C4 | C3 | O3 | C6 | 29.7° | 0.0° |
| C4 | C3 | O3 | C2 | 125.4° | 119.2° |
| C4 | C3 | O3 | H3 | 120.2° | 119.2° |
| C4 | C3 | C2 | H3 | 119.7° | 121.8° |
| C3 | C4 | C5 | H5 | 174.6° | 180.0° |
| C4 | C3 | C2 | H2 | 177.1° | 55.0° |
| C4 | C3 | C2 | H2A | 53.9° | 65.0° |
| C5 | C6 | O6 | O3 | 179.6° | 179.9° |
| C5 | C6 | O3 | C3 | 29.4° | 0.0° |
| C6 | C5 | C4 | H4 | 174.6° | 179.7° |
| O6 | C6 | O3 | C3 | 151.0° | 180.0° |
| O6 | C6 | C5 | H5 | 14.7° | 0.0° |
| C6 | O3 | C3 | C2 | 155.1° | 119.1° |
| O3 | C6 | C5 | H5 | 164.9° | 180.0° |
| C6 | O3 | C3 | H3 | 90.5° | 119.2° |
| O3 | C3 | C2 | H3 | 122.8° | 121.6° |
| O3 | C3 | C4 | H4 | 157.6° | 179.7° |
| O3 | C3 | C2 | H2 | 65.3° | 171.6° |
| O3 | C3 | C2 | H2A | 171.5° | 51.6° |
| C2 | C3 | C4 | H4 | 34.9° | 60.6° |
| C3 | C2 | H2 | H2A | 117.2° | 119.9° |
| H4 | C4 | C5 | H5 | 5.4° | 0.3° |
| H4 | C4 | C3 | H3 | 79.3° | 61.1° |
| H3 | C3 | C2 | H2 | 57.4° | 66.7° |
| H3 | C3 | C2 | H2A | 65.7° | 173.3° |
