FUM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.35Å | 1.21Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.34Å | |
| C | C4 | sing | 1.48Å | 1.48Å | |
| C4 | C5 | doub | 1.34Å | 1.35Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.48Å | 1.48Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | O7 | doub | 1.21Å | 1.32Å | |
| C6 | O8 | sing | 1.35Å | 1.22Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HXT | 109.5° | 117.0° |
| OXT | C | O | 122.7° | 120.0° |
| OXT | C | C4 | 120.0° | 120.0° |
| O | C | C4 | 115.1° | 120.0° |
| C | C4 | C5 | 113.5° | 120.1° |
| C | C4 | H4 | 123.3° | 120.0° |
| C5 | C4 | H4 | 123.2° | 119.9° |
| C4 | C5 | C6 | 117.8° | 120.1° |
| C4 | C5 | H5 | 121.1° | 119.9° |
| C6 | C5 | H5 | 121.1° | 120.0° |
| C5 | C6 | O7 | 115.5° | 120.0° |
| C5 | C6 | O8 | 119.0° | 120.0° |
| O7 | C6 | O8 | 122.8° | 120.0° |
| C6 | O8 | HO8 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | C4 | 163.0° | 180.0° |
| OXT | C | C4 | C5 | 160.7° | 180.0° |
| OXT | C | C4 | H4 | 19.3° | 0.0° |
| HXT | OXT | C | O | 0.0° | 0.0° |
| HXT | OXT | C | C4 | 162.2° | 180.0° |
| O | C | C4 | C5 | 2.8° | 0.0° |
| O | C | C4 | H4 | 177.2° | 180.0° |
| C | C4 | C5 | H4 | 180.0° | 180.0° |
| C | C4 | C5 | C6 | 157.2° | 180.0° |
| C | C4 | C5 | H5 | 22.8° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O7 | 82.7° | 0.0° |
| C4 | C5 | C6 | O8 | 115.4° | 180.0° |
| H4 | C4 | C5 | C6 | 22.8° | 0.0° |
| H4 | C4 | C5 | H5 | 157.2° | 180.0° |
| C5 | C6 | O7 | O8 | 161.1° | 180.0° |
| C5 | C6 | O8 | HO8 | 160.5° | 180.0° |
| H5 | C5 | C6 | O7 | 97.3° | 180.0° |
| H5 | C5 | C6 | O8 | 64.6° | 0.0° |
| O7 | C6 | O8 | HO8 | 0.0° | 0.0° |
