TEO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | doub | 1.22Å | 1.18Å | |
| C1 | O1B | sing | 1.22Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.60Å | |
| C2 | O2 | sing | 1.43Å | 1.32Å | |
| C2 | C3 | sing | 1.51Å | 1.38Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | doub | 1.32Å | 1.37Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | O4A | sing | 1.36Å | 1.32Å | |
| C4 | O4B | sing | 1.36Å | 1.49Å | |
| O4B | HOB4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 133.0° | 120.0° |
| O1A | C1 | C2 | 116.5° | 120.0° |
| O1B | C1 | C2 | 109.0° | 120.0° |
| C1 | C2 | O2 | 114.7° | 109.4° |
| C1 | C2 | C3 | 109.1° | 109.5° |
| C1 | C2 | H2 | 126.8° | 109.4° |
| O2 | C2 | C3 | 131.6° | 109.5° |
| O2 | C2 | H2 | 79.0° | 109.4° |
| C2 | O2 | HO2 | 114.7° | 114.0° |
| C3 | C2 | H2 | 91.1° | 109.6° |
| C2 | C3 | C4 | 119.5° | 120.0° |
| C2 | C3 | H3 | 120.5° | 119.9° |
| C4 | C3 | H3 | 120.0° | 120.1° |
| C3 | C4 | O4A | 130.8° | 120.0° |
| C3 | C4 | O4B | 120.6° | 120.0° |
| O4A | C4 | O4B | 107.3° | 120.0° |
| C4 | O4B | HOB4 | 120.6° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 165.1° | 179.6° |
| O1A | C1 | C2 | O2 | 111.6° | 5.1° |
| O1A | C1 | C2 | C3 | 89.5° | 114.9° |
| O1A | C1 | C2 | H2 | 17.0° | 125.0° |
| O1B | C1 | C2 | O2 | 56.2° | 175.3° |
| O1B | C1 | C2 | C3 | 102.6° | 64.7° |
| O1B | C1 | C2 | H2 | 150.8° | 55.4° |
| C1 | C2 | O2 | C3 | 152.9° | 120.0° |
| C1 | C2 | O2 | H2 | 125.6° | 119.9° |
| C1 | C2 | C3 | H2 | 129.8° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.1° |
| C1 | C2 | C3 | C4 | 165.5° | 125.0° |
| C1 | C2 | C3 | H3 | 14.5° | 55.0° |
| O2 | C2 | C3 | H2 | 76.2° | 120.0° |
| O2 | C2 | C3 | C4 | 11.5° | 5.0° |
| O2 | C2 | C3 | H3 | 168.5° | 175.0° |
| C3 | C2 | O2 | HO2 | 27.1° | 60.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | O4A | 166.7° | 180.0° |
| C2 | C3 | C4 | O4B | 1.4° | 0.0° |
| H2 | C2 | O2 | HO2 | 54.4° | 180.0° |
| H2 | C2 | C3 | C4 | 64.7° | 115.0° |
| H2 | C2 | C3 | H3 | 115.4° | 65.0° |
| C3 | C4 | O4A | O4B | 166.7° | 180.0° |
| C3 | C4 | O4B | HOB4 | 180.0° | 180.0° |
| H3 | C3 | C4 | O4A | 13.4° | 0.0° |
| H3 | C3 | C4 | O4B | 178.6° | 180.0° |
| O4A | C4 | O4B | HOB4 | 11.6° | 0.0° |
