SUF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P1 | O6 | doub | 1.50Å | 1.50Å | |
| P1 | O4 | sing | 1.62Å | 1.51Å | |
| P1 | O5 | sing | 1.62Å | 1.55Å | |
| P1 | C1 | sing | 1.83Å | 1.85Å | |
| P2 | C1 | sing | 1.83Å | 1.86Å | |
| P2 | O7 | doub | 1.50Å | 1.53Å | |
| P2 | O1 | sing | 1.62Å | 1.49Å | |
| P2 | O3 | sing | 1.62Å | 1.56Å | |
| S | C2 | sing | 1.76Å | 1.83Å | |
| S | C4 | sing | 1.77Å | 1.79Å | |
| S | C3 | sing | 1.77Å | 1.81Å | |
| S | HS | sing | 1.35Å | 1.30Å | |
| O1 | HO1 | sing | 0.98Å | 0.95Å | |
| O2 | C1 | sing | 1.44Å | 1.45Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.98Å | 0.95Å | |
| O4 | HO4 | sing | 0.98Å | 0.95Å | |
| O5 | HO5 | sing | 0.98Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | P1 | O4 | 110.7° | 115.2° |
| O6 | P1 | O5 | 112.6° | 114.4° |
| O6 | P1 | C1 | 106.0° | 114.8° |
| O4 | P1 | O5 | 111.0° | 103.1° |
| O4 | P1 | C1 | 110.6° | 104.3° |
| P1 | O4 | HO4 | 109.5° | 118.9° |
| O5 | P1 | C1 | 105.8° | 103.5° |
| P1 | O5 | HO5 | 109.5° | 118.9° |
| P1 | C1 | P2 | 111.6° | 121.2° |
| P1 | C1 | O2 | 108.9° | 102.6° |
| P1 | C1 | C2 | 105.6° | 112.2° |
| C1 | P2 | O7 | 102.8° | 115.0° |
| C1 | P2 | O1 | 111.2° | 103.4° |
| C1 | P2 | O3 | 108.5° | 103.5° |
| P2 | C1 | O2 | 109.6° | 101.9° |
| P2 | C1 | C2 | 112.4° | 111.6° |
| O7 | P2 | O1 | 115.3° | 115.5° |
| O7 | P2 | O3 | 106.8° | 115.0° |
| O1 | P2 | O3 | 111.7° | 102.8° |
| P2 | O1 | HO1 | 109.5° | 118.9° |
| P2 | O3 | HO3 | 109.5° | 118.9° |
| C2 | S | C4 | 103.4° | 106.5° |
| C2 | S | C3 | 104.5° | 106.5° |
| C2 | S | HS | 115.0° | 112.9° |
| S | C2 | C1 | 115.5° | 114.7° |
| S | C2 | H21 | 107.5° | 106.7° |
| S | C2 | H22 | 106.1° | 106.3° |
| C4 | S | C3 | 105.7° | 106.0° |
| C4 | S | HS | 114.0° | 112.2° |
| S | C4 | H41 | 109.5° | 108.4° |
| S | C4 | H42 | 109.4° | 108.4° |
| S | C4 | H43 | 109.5° | 108.4° |
| C3 | S | HS | 113.1° | 112.2° |
| S | C3 | H31 | 109.5° | 108.4° |
| S | C3 | H32 | 109.5° | 108.3° |
| S | C3 | H33 | 109.5° | 108.4° |
| C1 | O2 | HO2 | 109.5° | 107.3° |
| O2 | C1 | C2 | 108.5° | 104.9° |
| C1 | C2 | H21 | 107.5° | 111.2° |
| C1 | C2 | H22 | 106.1° | 110.8° |
| H21 | C2 | H22 | 114.3° | 106.8° |
| H31 | C3 | H32 | 109.4° | 110.5° |
| H31 | C3 | H33 | 109.4° | 110.6° |
| H32 | C3 | H33 | 109.5° | 110.6° |
| H41 | C4 | H42 | 109.5° | 110.5° |
| H41 | C4 | H43 | 109.5° | 110.5° |
| H42 | C4 | H43 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | P1 | O4 | O5 | 125.8° | 125.4° |
| O6 | P1 | O4 | C1 | 117.2° | 126.8° |
| O6 | P1 | O5 | C1 | 115.3° | 125.6° |
| O6 | P1 | C1 | P2 | 178.0° | 164.5° |
| O6 | P1 | C1 | O2 | 60.9° | 52.1° |
| O6 | P1 | O4 | HO4 | 0.5° | 51.0° |
| O6 | P1 | O5 | HO5 | 178.2° | 51.4° |
| O6 | P1 | C1 | C2 | 55.5° | 60.0° |
| O4 | P1 | O5 | C1 | 120.0° | 108.5° |
| O4 | P1 | C1 | P2 | 62.0° | 37.5° |
| O4 | P1 | C1 | O2 | 59.1° | 75.0° |
| O4 | P1 | O5 | HO5 | 57.2° | 74.5° |
| O4 | P1 | C1 | C2 | 175.5° | 173.0° |
| O5 | P1 | C1 | P2 | 58.2° | 70.1° |
| O5 | P1 | C1 | O2 | 179.4° | 177.5° |
| O5 | P1 | O4 | HO4 | 126.3° | 74.4° |
| O5 | P1 | C1 | C2 | 64.3° | 65.4° |
| P1 | C1 | P2 | O2 | 120.7° | 112.9° |
| P1 | C1 | P2 | C2 | 118.5° | 135.7° |
| P1 | C1 | P2 | O7 | 64.2° | 44.3° |
| P1 | C1 | P2 | O1 | 59.6° | 171.1° |
| P1 | C1 | P2 | O3 | 177.1° | 82.0° |
| P1 | C1 | C2 | S | 168.1° | 49.6° |
| P1 | C1 | O2 | C2 | 114.5° | 117.4° |
| P1 | C1 | O2 | HO2 | 62.0° | 62.3° |
| C1 | P1 | O4 | HO4 | 116.7° | 177.7° |
| C1 | P1 | O5 | HO5 | 62.8° | 177.0° |
| P1 | C1 | C2 | H21 | 48.1° | 170.7° |
| P1 | C1 | C2 | H22 | 74.6° | 70.7° |
| C1 | P2 | O7 | O1 | 121.2° | 120.3° |
| C1 | P2 | O7 | O3 | 114.2° | 120.1° |
| C1 | P2 | O1 | O3 | 121.4° | 107.5° |
| P2 | C1 | C2 | S | 46.1° | 170.6° |
| C1 | P2 | O1 | HO1 | 174.9° | 177.8° |
| P2 | C1 | O2 | C2 | 123.1° | 116.5° |
| P2 | C1 | O2 | HO2 | 175.6° | 63.8° |
| C1 | P2 | O3 | HO3 | 178.8° | 178.0° |
| P2 | C1 | C2 | H21 | 73.9° | 49.5° |
| P2 | C1 | C2 | H22 | 163.4° | 69.1° |
| O7 | P2 | O1 | O3 | 122.1° | 126.1° |
| O7 | P2 | O1 | HO1 | 58.4° | 51.3° |
| O7 | P2 | C1 | O2 | 56.5° | 68.6° |
| O7 | P2 | O3 | HO3 | 71.0° | 51.7° |
| O7 | P2 | C1 | C2 | 177.2° | 180.0° |
| O1 | P2 | C1 | O2 | 179.6° | 58.2° |
| O1 | P2 | O3 | HO3 | 55.9° | 74.7° |
| O1 | P2 | C1 | C2 | 58.9° | 53.2° |
| O3 | P2 | O1 | HO1 | 63.7° | 74.8° |
| O3 | P2 | C1 | O2 | 56.4° | 165.1° |
| O3 | P2 | C1 | C2 | 64.4° | 53.7° |
| C2 | S | C4 | C3 | 109.6° | 113.1° |
| C2 | S | C4 | HS | 125.6° | 124.0° |
| C2 | S | C3 | HS | 125.8° | 124.0° |
| S | C2 | C1 | O2 | 75.3° | 61.1° |
| S | C2 | C1 | H21 | 120.0° | 121.2° |
| S | C2 | C1 | H22 | 117.3° | 120.3° |
| S | C2 | H21 | H22 | 117.5° | 113.4° |
| C2 | S | C3 | H31 | 63.0° | 47.2° |
| C2 | S | C3 | H32 | 56.9° | 167.1° |
| C2 | S | C3 | H33 | 177.0° | 72.9° |
| C2 | S | C4 | H41 | 122.3° | 76.7° |
| C2 | S | C4 | H42 | 2.3° | 163.3° |
| C2 | S | C4 | H43 | 117.7° | 43.3° |
| C4 | S | C3 | HS | 125.4° | 122.9° |
| C4 | S | C2 | C1 | 175.6° | 70.7° |
| C4 | S | C2 | H21 | 64.4° | 52.9° |
| C4 | S | C2 | H22 | 58.3° | 166.6° |
| C4 | S | C3 | H31 | 45.8° | 66.0° |
| C4 | S | C3 | H32 | 165.7° | 54.0° |
| C4 | S | C3 | H33 | 74.2° | 174.0° |
| S | C4 | H41 | H42 | 120.0° | 118.7° |
| S | C4 | H41 | H43 | 120.0° | 118.7° |
| S | C4 | H42 | H43 | 120.0° | 118.7° |
| C3 | S | C2 | C1 | 65.2° | 176.5° |
| C3 | S | C2 | H21 | 174.8° | 60.0° |
| C3 | S | C2 | H22 | 52.1° | 53.8° |
| S | C3 | H31 | H32 | 120.0° | 118.6° |
| S | C3 | H31 | H33 | 120.0° | 118.7° |
| S | C3 | H32 | H33 | 120.0° | 118.6° |
| C3 | S | C4 | H41 | 128.1° | 170.2° |
| C3 | S | C4 | H42 | 111.8° | 50.1° |
| C3 | S | C4 | H43 | 8.1° | 69.9° |
| HS | S | C2 | C1 | 59.4° | 52.9° |
| HS | S | C2 | H21 | 60.6° | 176.5° |
| HS | S | C2 | H22 | 176.7° | 69.8° |
| HS | S | C3 | H31 | 171.2° | 171.2° |
| HS | S | C3 | H32 | 68.9° | 68.9° |
| HS | S | C3 | H33 | 51.2° | 51.1° |
| HS | S | C4 | H41 | 3.4° | 47.3° |
| HS | S | C4 | H42 | 123.4° | 72.8° |
| HS | S | C4 | H43 | 116.6° | 167.2° |
| O2 | C1 | C2 | H21 | 164.8° | 60.1° |
| O2 | C1 | C2 | H22 | 42.0° | 178.6° |
| HO2 | O2 | C1 | C2 | 52.5° | 179.7° |
| C1 | C2 | H21 | H22 | 117.5° | 120.9° |
| H31 | C3 | H32 | H33 | 120.0° | 122.8° |
| H41 | C4 | H42 | H43 | 120.0° | 122.6° |
