EFS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å | |
| C11 | O2 | sing | 1.43Å | 1.44Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| O2 | P | sing | 1.61Å | 1.59Å | |
| P | O4 | sing | 1.61Å | 1.61Å | |
| P | O1 | sing | 1.61Å | 1.58Å | |
| P | O3 | doub | 1.48Å | 1.45Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | H121 | 104.7° | 109.5° |
| C11 | C12 | H122 | 114.0° | 109.5° |
| C11 | C12 | H123 | 114.0° | 109.5° |
| C12 | C11 | O2 | 104.7° | 109.5° |
| C12 | C11 | H111 | 114.0° | 109.5° |
| C12 | C11 | H112 | 114.0° | 109.5° |
| H121 | C12 | H122 | 114.0° | 109.5° |
| H121 | C12 | H123 | 114.0° | 109.5° |
| H122 | C12 | H123 | 96.5° | 109.4° |
| O2 | C11 | H111 | 114.1° | 109.5° |
| O2 | C11 | H112 | 114.1° | 109.4° |
| C11 | O2 | P | 120.9° | 106.9° |
| H111 | C11 | H112 | 96.4° | 109.4° |
| O2 | P | O4 | 98.8° | 109.5° |
| O2 | P | O1 | 112.0° | 109.5° |
| O2 | P | O3 | 115.3° | 109.5° |
| O4 | P | O1 | 105.2° | 109.5° |
| O4 | P | O3 | 106.1° | 109.4° |
| P | O4 | HO4 | 98.8° | 106.8° |
| O1 | P | O3 | 117.0° | 109.4° |
| P | O1 | HO1 | 111.9° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | H121 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H123 | 125.2° | 120.0° |
| C11 | C12 | H122 | H123 | 119.9° | 120.0° |
| C12 | C11 | O2 | H111 | 125.3° | 120.0° |
| C12 | C11 | O2 | H112 | 125.3° | 120.0° |
| C12 | C11 | H111 | H112 | 119.9° | 120.0° |
| C12 | C11 | O2 | P | 149.4° | 180.0° |
| H121 | C12 | H122 | H123 | 119.9° | 120.0° |
| H121 | C12 | C11 | O2 | 180.0° | 180.0° |
| H121 | C12 | C11 | H111 | 54.7° | 60.0° |
| H121 | C12 | C11 | H112 | 54.7° | 60.0° |
| H122 | C12 | C11 | O2 | 54.7° | 60.0° |
| H122 | C12 | C11 | H111 | 70.6° | 60.0° |
| H122 | C12 | C11 | H112 | 179.9° | 180.0° |
| H123 | C12 | C11 | O2 | 54.8° | 60.0° |
| H123 | C12 | C11 | H111 | 179.9° | 180.0° |
| H123 | C12 | C11 | H112 | 70.5° | 60.0° |
| O2 | C11 | H111 | H112 | 120.0° | 119.9° |
| C11 | O2 | P | O4 | 150.9° | 180.0° |
| C11 | O2 | P | O1 | 98.6° | 60.0° |
| C11 | O2 | P | O3 | 38.3° | 60.0° |
| H111 | C11 | O2 | P | 24.2° | 59.9° |
| H112 | C11 | O2 | P | 85.3° | 60.0° |
| O2 | P | O4 | O1 | 115.7° | 120.0° |
| O2 | P | O4 | O3 | 119.6° | 120.0° |
| O2 | P | O1 | O3 | 136.2° | 120.0° |
| O2 | P | O4 | HO4 | 180.0° | 180.0° |
| O2 | P | O1 | HO1 | 180.0° | 60.0° |
| O4 | P | O1 | O3 | 117.5° | 120.0° |
| O4 | P | O1 | HO1 | 73.7° | 60.0° |
| O1 | P | O4 | HO4 | 64.3° | 59.9° |
| O3 | P | O4 | HO4 | 60.3° | 60.0° |
| O3 | P | O1 | HO1 | 43.8° | 180.0° |
