FFQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| P1 | O4 | sing | 1.61Å | 1.45Å | |
| P1 | O2 | sing | 1.61Å | 1.45Å | |
| C2 | P1 | sing | 1.82Å | 1.84Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| O2 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C1 | sing | 1.53Å | 1.56Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | HO2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | P1 | doub | 1.48Å | 1.46Å | |
| O4 | H3A | sing | 0.97Å | 0.95Å | |
| C1 | H3B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H | 108.8° | 109.5° |
| C1 | C2 | O1 | 112.0° | 109.5° |
| C1 | C2 | P1 | 118.7° | 109.5° |
| C1 | C2 | H1 | 106.0° | 109.5° |
| C2 | C1 | C3 | 112.2° | 109.5° |
| C2 | C1 | H3B | 108.8° | 109.5° |
| H | C1 | C3 | 108.8° | 109.5° |
| H | C1 | H3B | 109.5° | 109.4° |
| C2 | O1 | H2 | 109.5° | 114.0° |
| O1 | C2 | P1 | 108.0° | 109.5° |
| O1 | C2 | H1 | 107.7° | 109.5° |
| O4 | P1 | O2 | 109.6° | 109.5° |
| O4 | P1 | C2 | 110.6° | 109.5° |
| O4 | P1 | O3 | 111.2° | 109.5° |
| P1 | O4 | H3A | 109.5° | 114.0° |
| O2 | P1 | C2 | 104.4° | 109.5° |
| P1 | O2 | HO1 | 109.5° | 114.0° |
| O2 | P1 | O3 | 111.6° | 109.5° |
| P1 | C2 | H1 | 103.5° | 109.4° |
| C2 | P1 | O3 | 109.2° | 109.5° |
| C1 | C3 | H20 | 109.5° | 109.4° |
| C1 | C3 | HO2 | 109.5° | 109.5° |
| C1 | C3 | H3 | 109.5° | 109.5° |
| C3 | C1 | H3B | 108.8° | 109.5° |
| H20 | C3 | HO2 | 109.5° | 109.5° |
| H20 | C3 | H3 | 109.5° | 109.5° |
| HO2 | C3 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H | C3 | 122.5° | 120.0° |
| C2 | C1 | H | H3B | 118.8° | 120.0° |
| C1 | C2 | O1 | P1 | 132.6° | 120.0° |
| C1 | C2 | O1 | H1 | 116.2° | 120.0° |
| C1 | C2 | O1 | H2 | 180.0° | 60.0° |
| C1 | C2 | P1 | O4 | 47.4° | 180.0° |
| C1 | C2 | P1 | O2 | 165.2° | 60.0° |
| C1 | C2 | P1 | H1 | 117.1° | 120.0° |
| C2 | C1 | C3 | H3B | 120.4° | 120.0° |
| C2 | C1 | C3 | H20 | 180.0° | 60.0° |
| C2 | C1 | C3 | HO2 | 60.0° | 60.0° |
| C2 | C1 | C3 | H3 | 60.0° | 180.0° |
| C1 | C2 | P1 | O3 | 75.3° | 60.0° |
| H | C1 | C2 | O1 | 167.4° | 55.0° |
| H | C1 | C2 | P1 | 65.6° | 65.0° |
| H | C1 | C2 | H1 | 50.2° | 175.1° |
| H | C1 | C3 | H3B | 119.2° | 119.9° |
| H | C1 | C3 | H20 | 59.6° | 179.9° |
| H | C1 | C3 | HO2 | 179.6° | 60.0° |
| H | C1 | C3 | H3 | 60.4° | 60.0° |
| O1 | C2 | P1 | O4 | 176.3° | 60.0° |
| O1 | C2 | P1 | O2 | 65.8° | 180.0° |
| O1 | C2 | P1 | H1 | 114.0° | 120.0° |
| O1 | C2 | C1 | C3 | 72.2° | 65.0° |
| O1 | C2 | P1 | O3 | 53.6° | 60.0° |
| O1 | C2 | C1 | H3B | 48.2° | 175.0° |
| H2 | O1 | C2 | P1 | 47.4° | 60.0° |
| H2 | O1 | C2 | H1 | 63.8° | 180.0° |
| O4 | P1 | O2 | C2 | 118.5° | 120.0° |
| O4 | P1 | O2 | O3 | 123.6° | 120.0° |
| O4 | P1 | C2 | O3 | 122.7° | 120.0° |
| O4 | P1 | C2 | H1 | 69.7° | 60.0° |
| O4 | P1 | O2 | HO1 | 123.6° | 60.0° |
| O2 | P1 | C2 | O3 | 119.5° | 120.0° |
| O2 | P1 | C2 | H1 | 48.1° | 60.0° |
| O2 | P1 | O4 | H3A | 123.9° | 60.0° |
| C2 | P1 | O2 | HO1 | 117.9° | 60.0° |
| P1 | C2 | C1 | C3 | 54.8° | 175.0° |
| C2 | P1 | O4 | H3A | 121.5° | 180.0° |
| P1 | C2 | C1 | H3B | 175.3° | 55.0° |
| H1 | C2 | C1 | C3 | 170.6° | 55.0° |
| H1 | C2 | P1 | O3 | 167.6° | 180.0° |
| H1 | C2 | C1 | H3B | 69.0° | 65.0° |
| HO1 | O2 | P1 | O3 | 0.0° | 180.0° |
| C1 | C3 | H20 | HO2 | 120.0° | 120.0° |
| C1 | C3 | H20 | H3 | 120.0° | 120.0° |
| C1 | C3 | HO2 | H3 | 120.0° | 120.0° |
| H20 | C3 | HO2 | H3 | 120.0° | 120.0° |
| H20 | C3 | C1 | H3B | 59.6° | 60.0° |
| HO2 | C3 | C1 | H3B | 60.4° | 180.0° |
| H3 | C3 | C1 | H3B | 179.6° | 60.0° |
| O3 | P1 | O4 | H3A | 0.0° | 60.0° |
